1 ASN 3 N 0.0059 -0.0157 0.0159 2 ASN 3 HN 0.0054 -0.0154 0.0137 3 ASN 3 CA 0.0047 -0.0131 0.0161 4 ASN 3 HA 0.0055 -0.0144 0.0172 5 ASN 3 CB 0.0033 -0.0118 0.0119 6 ASN 3 HB1 0.0024 -0.0099 0.0121 7 ASN 3 HB2 0.0025 -0.0106 0.0106 8 ASN 3 CG 0.0044 -0.0150 0.0092 9 ASN 3 OD1 0.0049 -0.0160 0.0092 10 ASN 3 ND2 0.0047 -0.0167 0.0067 11 ASN 3 HD21 0.0055 -0.0188 0.0049 12 ASN 3 HD22 0.0046 -0.0161 0.0071 13 ASN 3 C 0.0036 -0.0098 0.0190 14 ASN 3 O 0.0036 -0.0093 0.0207 15 ARG 4 N -0.0112 -0.0071 0.0132 16 ARG 4 HN -0.0114 -0.0039 0.0185 17 ARG 4 CA -0.0083 -0.0050 0.0129 18 ARG 4 HA -0.0095 -0.0094 0.0076 19 ARG 4 CB -0.0128 -0.0028 0.0219 20 ARG 4 HB1 -0.0113 -0.0020 0.0212 21 ARG 4 HB2 -0.0106 0.0025 0.0272 22 ARG 4 CG -0.0223 -0.0082 0.0256 23 ARG 4 HG1 -0.0247 -0.0059 0.0319 24 ARG 4 HG2 -0.0240 -0.0084 0.0273 25 ARG 4 CD -0.0266 -0.0158 0.0191 26 ARG 4 HD1 -0.0246 -0.0183 0.0129 27 ARG 4 HD2 -0.0252 -0.0158 0.0175 28 ARG 4 NE -0.0357 -0.0201 0.0241 29 ARG 4 HE -0.0376 -0.0173 0.0307 30 ARG 4 CZ -0.0414 -0.0271 0.0203 31 ARG 4 NH1 -0.0396 -0.0314 0.0116 32 ARG 4 HH11 -0.0337 -0.0290 0.0078 33 ARG 4 HH12 -0.0438 -0.0365 0.0090 34 ARG 4 NH2 -0.0492 -0.0301 0.0255 35 ARG 4 HH21 -0.0535 -0.0354 0.0227 36 ARG 4 HH22 -0.0506 -0.0270 0.0321 37 ARG 4 C 0.0010 0.0015 0.0113 38 ARG 4 O 0.0046 0.0029 0.0088 39 ALA 5 N -0.0084 0.0038 0.0156 40 ALA 5 HN -0.0080 0.0017 0.0144 41 ALA 5 CA -0.0095 0.0068 0.0139 42 ALA 5 HA -0.0098 0.0090 0.0155 43 ALA 5 CB -0.0097 0.0069 0.0128 44 ALA 5 HB1 -0.0105 0.0092 0.0114 45 ALA 5 HB2 -0.0093 0.0070 0.0151 46 ALA 5 HB3 -0.0094 0.0047 0.0112 47 ALA 5 C -0.0100 0.0070 0.0108 48 ALA 5 O -0.0096 0.0044 0.0092 49 PHE 6 N -0.0101 0.0091 0.0049 50 PHE 6 HN -0.0114 0.0107 0.0057 51 PHE 6 CA -0.0096 0.0088 0.0035 52 PHE 6 HA -0.0081 0.0071 0.0023 53 PHE 6 CB -0.0099 0.0085 0.0060 54 PHE 6 HB1 -0.0100 0.0088 0.0050 55 PHE 6 HB2 -0.0113 0.0098 0.0078 56 PHE 6 CG -0.0085 0.0057 0.0076 57 PHE 6 CD1 -0.0085 0.0049 0.0100 58 PHE 6 HD1 -0.0096 0.0063 0.0108 59 PHE 6 CE1 -0.0070 0.0022 0.0113 60 PHE 6 HE1 -0.0070 0.0016 0.0130 61 PHE 6 CZ -0.0055 0.0003 0.0102 62 PHE 6 HZ -0.0044 -0.0017 0.0112 63 PHE 6 CD2 -0.0070 0.0038 0.0067 64 PHE 6 HD2 -0.0069 0.0043 0.0049 65 PHE 6 CE2 -0.0055 0.0011 0.0080 66 PHE 6 HE2 -0.0044 -0.0003 0.0072 67 PHE 6 C -0.0105 0.0111 0.0010 68 PHE 6 O -0.0120 0.0133 0.0010 69 LYS 7 N -0.0123 0.0114 0.0075 70 LYS 7 HN -0.0124 0.0087 0.0066 71 LYS 7 CA -0.0104 0.0139 0.0050 72 LYS 7 HA -0.0103 0.0166 0.0061 73 LYS 7 CB -0.0096 0.0139 0.0036 74 LYS 7 HB1 -0.0104 0.0150 0.0056 75 LYS 7 HB2 -0.0081 0.0159 0.0018 76 LYS 7 CG -0.0096 0.0102 0.0021 77 LYS 7 HG1 -0.0090 0.0088 0.0006 78 LYS 7 HG2 -0.0111 0.0085 0.0041 79 LYS 7 CD -0.0082 0.0105 -0.0002 80 LYS 7 HD1 -0.0089 0.0115 0.0013 81 LYS 7 HD2 -0.0069 0.0127 -0.0017 82 LYS 7 CE -0.0077 0.0071 -0.0025 83 LYS 7 HE1 -0.0065 0.0078 -0.0044 84 LYS 7 HE2 -0.0073 0.0060 -0.0038 85 LYS 7 NZ -0.0094 0.0041 -0.0008 86 LYS 7 HZ1 -0.0095 0.0046 -0.0003 87 LYS 7 HZ2 -0.0107 0.0039 0.0014 88 LYS 7 HZ3 -0.0091 0.0017 -0.0023 89 LYS 7 C -0.0089 0.0132 0.0022 90 LYS 7 O -0.0092 0.0102 0.0015 91 SER 8 N -0.0072 0.0117 0.0053 92 SER 8 HN -0.0070 0.0138 0.0058 93 SER 8 CA -0.0044 0.0082 0.0054 94 SER 8 HA -0.0040 0.0067 0.0052 95 SER 8 CB -0.0059 0.0053 0.0045 96 SER 8 HB1 -0.0088 0.0042 0.0035 97 SER 8 HB2 -0.0039 0.0025 0.0045 98 SER 8 OG -0.0063 0.0070 0.0047 99 SER 8 HG1 -0.0082 0.0092 0.0046 100 SER 8 C -0.0005 0.0097 0.0067 101 SER 8 O -0.0001 0.0131 0.0074 102 HIS 9 N 0.0058 0.0015 0.0171 103 HIS 9 HN 0.0055 -0.0019 0.0166 104 HIS 9 CA 0.0106 0.0026 0.0184 105 HIS 9 HA 0.0128 -0.0003 0.0187 106 HIS 9 CB 0.0109 0.0023 0.0185 107 HIS 9 HB1 0.0145 0.0030 0.0196 108 HIS 9 HB2 0.0083 0.0048 0.0181 109 HIS 9 CD2 0.0061 -0.0047 0.0165 110 HIS 9 HD2 0.0029 -0.0029 0.0158 111 HIS 9 CG 0.0098 -0.0028 0.0177 112 HIS 9 NE2 0.0070 -0.0097 0.0162 113 HIS 9 HE2 0.0048 -0.0123 0.0153 114 HIS 9 ND1 0.0130 -0.0064 0.0182 115 HIS 9 HD1 0.0162 -0.0061 0.0190 116 HIS 9 CE1 0.0112 -0.0106 0.0172 117 HIS 9 HE1 0.0127 -0.0143 0.0172 118 HIS 9 C 0.0127 0.0072 0.0195 119 HIS 9 O 0.0137 0.0076 0.0198 120 HIS 10 N 0.0267 0.0131 0.0315 121 HIS 10 HN 0.0208 0.0131 0.0308 122 HIS 10 CA 0.0358 0.0282 0.0308 123 HIS 10 HA 0.0448 0.0258 0.0322 124 HIS 10 CB 0.0447 0.0357 0.0310 125 HIS 10 HB1 0.0522 0.0469 0.0307 126 HIS 10 HB2 0.0354 0.0397 0.0294 127 HIS 10 CD2 0.0558 0.0179 0.0345 128 HIS 10 HD2 0.0462 0.0191 0.0332 129 HIS 10 CG 0.0563 0.0240 0.0339 130 HIS 10 NE2 0.0708 0.0101 0.0374 131 HIS 10 HE2 0.0746 0.0047 0.0385 132 HIS 10 ND1 0.0712 0.0203 0.0362 133 HIS 10 HD1 0.0750 0.0234 0.0363 134 HIS 10 CE1 0.0795 0.0119 0.0382 135 HIS 10 HE1 0.0921 0.0071 0.0404 136 HIS 10 C 0.0242 0.0418 0.0278 137 HIS 10 O 0.0294 0.0561 0.0267 138 GLY 11 N 0.0078 0.0221 0.0148 139 GLY 11 HN 0.0062 0.0173 0.0150 140 GLY 11 CA 0.0033 0.0272 0.0131 141 GLY 11 HA1 0.0056 0.0321 0.0131 142 GLY 11 HA2 0.0020 0.0259 0.0130 143 GLY 11 C -0.0030 0.0277 0.0115 144 GLY 11 O -0.0072 0.0316 0.0101 145 HIS 12 N -0.0066 0.0238 0.0117 146 HIS 12 HN -0.0045 0.0214 0.0142 147 HIS 12 CA -0.0114 0.0217 0.0087 148 HIS 12 HA -0.0125 0.0248 0.0068 149 HIS 12 CB -0.0119 0.0164 0.0101 150 HIS 12 HB1 -0.0156 0.0145 0.0079 151 HIS 12 HB2 -0.0103 0.0135 0.0124 152 HIS 12 CD2 -0.0120 0.0145 0.0107 153 HIS 12 HD2 -0.0152 0.0116 0.0093 154 HIS 12 CG -0.0101 0.0169 0.0113 155 HIS 12 NE2 -0.0091 0.0165 0.0123 156 HIS 12 HE2 -0.0095 0.0155 0.0123 157 HIS 12 ND1 -0.0061 0.0203 0.0133 158 HIS 12 HD1 -0.0039 0.0226 0.0142 159 HIS 12 CE1 -0.0056 0.0200 0.0138 160 HIS 12 HE1 -0.0028 0.0223 0.0151 161 HIS 12 C -0.0145 0.0207 0.0066 162 HIS 12 O -0.0132 0.0192 0.0082 163 PHE 13 N -0.0184 0.0189 0.0055 164 PHE 13 HN -0.0183 0.0190 0.0057 165 PHE 13 CA -0.0194 0.0191 0.0046 166 PHE 13 HA -0.0195 0.0194 0.0047 167 PHE 13 CB -0.0201 0.0200 0.0044 168 PHE 13 HB1 -0.0209 0.0202 0.0038 169 PHE 13 HB2 -0.0201 0.0196 0.0042 170 PHE 13 CG -0.0198 0.0211 0.0052 171 PHE 13 CD1 -0.0199 0.0218 0.0055 172 PHE 13 HD1 -0.0201 0.0215 0.0052 173 PHE 13 CE1 -0.0196 0.0229 0.0063 174 PHE 13 HE1 -0.0196 0.0234 0.0066 175 PHE 13 CZ -0.0193 0.0232 0.0068 176 PHE 13 HZ -0.0191 0.0240 0.0074 177 PHE 13 CD2 -0.0196 0.0215 0.0057 178 PHE 13 HD2 -0.0195 0.0210 0.0054 179 PHE 13 CE2 -0.0193 0.0226 0.0065 180 PHE 13 HE2 -0.0190 0.0229 0.0068 181 PHE 13 C -0.0196 0.0179 0.0038 182 PHE 13 O -0.0192 0.0171 0.0038 183 LEU 14 N -0.0132 0.0149 0.0039 184 LEU 14 HN -0.0134 0.0148 0.0039 185 LEU 14 CA -0.0145 0.0135 0.0038 186 LEU 14 HA -0.0138 0.0133 0.0038 187 LEU 14 CB -0.0146 0.0114 0.0035 188 LEU 14 HB1 -0.0155 0.0103 0.0035 189 LEU 14 HB2 -0.0155 0.0115 0.0036 190 LEU 14 CG -0.0125 0.0104 0.0033 191 LEU 14 HG -0.0117 0.0113 0.0033 192 LEU 14 CD1 -0.0128 0.0083 0.0030 193 LEU 14 HD11 -0.0136 0.0072 0.0029 194 LEU 14 HD12 -0.0113 0.0076 0.0028 195 LEU 14 HD13 -0.0137 0.0083 0.0031 196 LEU 14 CD2 -0.0112 0.0103 0.0032 197 LEU 14 HD21 -0.0108 0.0118 0.0033 198 LEU 14 HD22 -0.0098 0.0095 0.0029 199 LEU 14 HD23 -0.0120 0.0094 0.0031 200 LEU 14 C -0.0166 0.0144 0.0041 201 LEU 14 O -0.0176 0.0151 0.0043 202 SER 15 N -0.0136 0.0148 0.0030 203 SER 15 HN -0.0130 0.0143 0.0030 204 SER 15 CA -0.0136 0.0148 0.0028 205 SER 15 HA -0.0143 0.0153 0.0025 206 SER 15 CB -0.0133 0.0147 0.0039 207 SER 15 HB1 -0.0132 0.0146 0.0037 208 SER 15 HB2 -0.0127 0.0143 0.0042 209 SER 15 OG -0.0139 0.0154 0.0046 210 SER 15 HG1 -0.0142 0.0156 0.0045 211 SER 15 C -0.0131 0.0142 0.0019 212 SER 15 O -0.0125 0.0136 0.0017 213 ALA 16 N -0.0061 0.0119 0.0025 214 ALA 16 HN -0.0063 0.0118 0.0027 215 ALA 16 CA -0.0055 0.0121 0.0022 216 ALA 16 HA -0.0054 0.0123 0.0019 217 ALA 16 CB -0.0055 0.0124 0.0018 218 ALA 16 HB1 -0.0060 0.0127 0.0016 219 ALA 16 HB2 -0.0056 0.0123 0.0020 220 ALA 16 HB3 -0.0051 0.0126 0.0015 221 ALA 16 C -0.0049 0.0117 0.0025 222 ALA 16 O -0.0049 0.0114 0.0029 223 GLU 17 N -0.0092 0.0107 -0.0005 224 GLU 17 HN -0.0094 0.0111 -0.0003 225 GLU 17 CA -0.0089 0.0100 -0.0008 226 GLU 17 HA -0.0085 0.0098 -0.0010 227 GLU 17 CB -0.0096 0.0094 -0.0007 228 GLU 17 HB1 -0.0094 0.0091 -0.0009 229 GLU 17 HB2 -0.0101 0.0097 -0.0004 230 GLU 17 CG -0.0098 0.0088 -0.0008 231 GLU 17 HG1 -0.0100 0.0091 -0.0006 232 GLU 17 HG2 -0.0093 0.0085 -0.0011 233 GLU 17 CD -0.0104 0.0082 -0.0007 234 GLU 17 OE1 -0.0110 0.0080 -0.0006 235 GLU 17 OE2 -0.0105 0.0081 -0.0007 236 GLU 17 C -0.0086 0.0103 -0.0008 237 GLU 17 O -0.0090 0.0107 -0.0005 238 GLY 18 N -0.0059 0.0101 -0.0042 239 GLY 18 HN -0.0061 0.0101 -0.0039 240 GLY 18 CA -0.0056 0.0102 -0.0043 241 GLY 18 HA1 -0.0053 0.0102 -0.0043 242 GLY 18 HA2 -0.0056 0.0102 -0.0042 243 GLY 18 C -0.0057 0.0102 -0.0048 244 GLY 18 O -0.0060 0.0102 -0.0049 245 GLU 19 N -0.0055 0.0095 -0.0067 246 GLU 19 HN -0.0052 0.0101 -0.0069 247 GLU 19 CA -0.0055 0.0093 -0.0072 248 GLU 19 HA -0.0058 0.0087 -0.0067 249 GLU 19 CB -0.0051 0.0103 -0.0071 250 GLU 19 HB1 -0.0051 0.0101 -0.0076 251 GLU 19 HB2 -0.0048 0.0109 -0.0076 252 GLU 19 CG -0.0051 0.0107 -0.0059 253 GLU 19 HG1 -0.0051 0.0109 -0.0055 254 GLU 19 HG2 -0.0054 0.0101 -0.0055 255 GLU 19 CD -0.0047 0.0117 -0.0059 256 GLU 19 OE1 -0.0046 0.0117 -0.0067 257 GLU 19 OE2 -0.0045 0.0124 -0.0052 258 GLU 19 C -0.0055 0.0089 -0.0084 259 GLU 19 O -0.0054 0.0088 -0.0090 260 ALA 20 N -0.0077 0.0074 -0.0068 261 ALA 20 HN -0.0077 0.0074 -0.0065 262 ALA 20 CA -0.0078 0.0075 -0.0061 263 ALA 20 HA -0.0080 0.0078 -0.0065 264 ALA 20 CB -0.0074 0.0067 -0.0055 265 ALA 20 HB1 -0.0075 0.0068 -0.0050 266 ALA 20 HB2 -0.0070 0.0062 -0.0061 267 ALA 20 HB3 -0.0072 0.0065 -0.0050 268 ALA 20 C -0.0083 0.0082 -0.0054 269 ALA 20 O -0.0085 0.0085 -0.0053 270 VAL 21 N -0.0075 0.0074 -0.0043 271 VAL 21 HN -0.0074 0.0073 -0.0042 272 VAL 21 CA -0.0079 0.0080 -0.0035 273 VAL 21 HA -0.0079 0.0080 -0.0036 274 VAL 21 CB -0.0083 0.0090 -0.0036 275 VAL 21 HB -0.0084 0.0090 -0.0034 276 VAL 21 CG1 -0.0088 0.0097 -0.0029 277 VAL 21 HG11 -0.0090 0.0093 -0.0021 278 VAL 21 HG12 -0.0088 0.0097 -0.0030 279 VAL 21 HG13 -0.0091 0.0104 -0.0030 280 VAL 21 CG2 -0.0081 0.0095 -0.0047 281 VAL 21 HG21 -0.0084 0.0103 -0.0048 282 VAL 21 HG22 -0.0080 0.0095 -0.0049 283 VAL 21 HG23 -0.0078 0.0091 -0.0053 284 VAL 21 C -0.0081 0.0074 -0.0025 285 VAL 21 O -0.0080 0.0071 -0.0023 286 LYS 22 N -0.0130 0.0089 0.0001 287 LYS 22 HN -0.0131 0.0097 -0.0003 288 LYS 22 CA -0.0126 0.0086 0.0012 289 LYS 22 HA -0.0124 0.0078 0.0017 290 LYS 22 CB -0.0128 0.0080 0.0008 291 LYS 22 HB1 -0.0132 0.0072 0.0002 292 LYS 22 HB2 -0.0125 0.0076 0.0016 293 LYS 22 CG -0.0130 0.0090 0.0001 294 LYS 22 HG1 -0.0126 0.0096 0.0007 295 LYS 22 HG2 -0.0131 0.0098 -0.0003 296 LYS 22 CD -0.0135 0.0085 -0.0009 297 LYS 22 HD1 -0.0136 0.0094 -0.0013 298 LYS 22 HD2 -0.0139 0.0080 -0.0015 299 LYS 22 CE -0.0134 0.0076 -0.0004 300 LYS 22 HE1 -0.0134 0.0067 -0.0001 301 LYS 22 HE2 -0.0130 0.0081 0.0003 302 LYS 22 NZ -0.0139 0.0074 -0.0014 303 LYS 22 HZ1 -0.0138 0.0070 -0.0011 304 LYS 22 HZ2 -0.0143 0.0070 -0.0021 305 LYS 22 HZ3 -0.0140 0.0083 -0.0018 306 LYS 22 C -0.0121 0.0097 0.0019 307 LYS 22 O -0.0122 0.0108 0.0015 308 THR 23 N -0.0163 0.0056 0.0024 309 THR 23 HN -0.0155 0.0040 0.0028 310 THR 23 CA -0.0152 0.0077 0.0039 311 THR 23 HA -0.0160 0.0089 0.0035 312 THR 23 CB -0.0131 0.0068 0.0055 313 THR 23 HB -0.0123 0.0055 0.0059 314 THR 23 OG1 -0.0132 0.0054 0.0051 315 THR 23 HG1 -0.0119 0.0048 0.0061 316 THR 23 CG2 -0.0120 0.0090 0.0070 317 THR 23 HG21 -0.0106 0.0083 0.0081 318 THR 23 HG22 -0.0117 0.0100 0.0076 319 THR 23 HG23 -0.0129 0.0104 0.0066 320 THR 23 C -0.0150 0.0092 0.0045 321 THR 23 O -0.0147 0.0081 0.0044 322 HIS 24 N -0.0216 0.0132 0.0051 323 HIS 24 HN -0.0211 0.0150 0.0053 324 HIS 24 CA -0.0217 0.0116 0.0042 325 HIS 24 HA -0.0224 0.0097 0.0046 326 HIS 24 CB -0.0205 0.0116 0.0015 327 HIS 24 HB1 -0.0197 0.0135 0.0011 328 HIS 24 HB2 -0.0204 0.0109 0.0008 329 HIS 24 CD2 -0.0195 0.0103 -0.0017 330 HIS 24 HD2 -0.0186 0.0118 -0.0027 331 HIS 24 CG -0.0205 0.0100 0.0002 332 HIS 24 NE2 -0.0199 0.0082 -0.0022 333 HIS 24 HE2 -0.0194 0.0077 -0.0036 334 HIS 24 ND1 -0.0215 0.0077 0.0010 335 HIS 24 HD1 -0.0223 0.0070 0.0023 336 HIS 24 CE1 -0.0211 0.0067 -0.0006 337 HIS 24 HE1 -0.0217 0.0049 -0.0006 338 HIS 24 C -0.0220 0.0123 0.0053 339 HIS 24 O -0.0215 0.0144 0.0057 340 HIS 25 N -0.0223 0.0144 0.0045 341 HIS 25 HN -0.0215 0.0112 0.0040 342 HIS 25 CA -0.0254 0.0130 0.0073 343 HIS 25 HA -0.0277 0.0165 0.0091 344 HIS 25 CB -0.0279 0.0077 0.0097 345 HIS 25 HB1 -0.0299 0.0086 0.0114 346 HIS 25 HB2 -0.0301 0.0065 0.0116 347 HIS 25 CD2 -0.0237 -0.0019 0.0067 348 HIS 25 HD2 -0.0244 -0.0029 0.0073 349 HIS 25 CG -0.0250 0.0027 0.0075 350 HIS 25 NE2 -0.0213 -0.0053 0.0048 351 HIS 25 HE2 -0.0197 -0.0090 0.0037 352 HIS 25 ND1 -0.0234 0.0022 0.0062 353 HIS 25 HD1 -0.0239 0.0049 0.0064 354 HIS 25 CE1 -0.0212 -0.0027 0.0045 355 HIS 25 HE1 -0.0195 -0.0043 0.0032 356 HIS 25 C -0.0234 0.0121 0.0056 357 HIS 25 O -0.0255 0.0128 0.0074 358 GLY 26 N -0.0318 0.0094 0.0043 359 GLY 26 HN -0.0267 0.0093 0.0012 360 GLY 26 CA -0.0290 0.0066 0.0038 361 GLY 26 HA1 -0.0325 0.0125 0.0033 362 GLY 26 HA2 -0.0215 0.0054 -0.0003 363 GLY 26 C -0.0314 -0.0030 0.0097 364 GLY 26 O -0.0325 -0.0097 0.0133 365 HIS 27 N -0.0349 -0.0037 0.0130 366 HIS 27 HN -0.0343 0.0043 0.0084 367 HIS 27 CA -0.0357 -0.0081 0.0165 368 HIS 27 HA -0.0381 0.0002 0.0176 369 HIS 27 CB -0.0394 -0.0168 0.0275 370 HIS 27 HB1 -0.0398 -0.0191 0.0293 371 HIS 27 HB2 -0.0371 -0.0255 0.0269 372 HIS 27 CD2 -0.0486 -0.0136 0.0443 373 HIS 27 HD2 -0.0469 -0.0212 0.0442 374 HIS 27 CG -0.0457 -0.0106 0.0372 375 HIS 27 NE2 -0.0542 -0.0045 0.0515 376 HIS 27 HE2 -0.0574 -0.0036 0.0573 377 HIS 27 ND1 -0.0495 0.0002 0.0401 378 HIS 27 HD1 -0.0485 0.0044 0.0364 379 HIS 27 CE1 -0.0546 0.0035 0.0487 380 HIS 27 HE1 -0.0585 0.0118 0.0529 381 HIS 27 C -0.0293 -0.0137 0.0064 382 HIS 27 O -0.0253 -0.0205 0.0014 383 HIS 28 N -0.0338 -0.0133 -0.0075 384 HIS 28 HN -0.0350 -0.0086 -0.0046 385 HIS 28 CA -0.0263 -0.0175 -0.0185 386 HIS 28 HA -0.0237 -0.0140 -0.0209 387 HIS 28 CB -0.0273 -0.0321 -0.0218 388 HIS 28 HB1 -0.0304 -0.0352 -0.0187 389 HIS 28 HB2 -0.0212 -0.0342 -0.0303 390 HIS 28 CD2 -0.0386 -0.0497 -0.0126 391 HIS 28 HD2 -0.0422 -0.0529 -0.0088 392 HIS 28 CG -0.0318 -0.0403 -0.0184 393 HIS 28 NE2 -0.0406 -0.0556 -0.0118 394 HIS 28 HE2 -0.0453 -0.0628 -0.0079 395 HIS 28 ND1 -0.0296 -0.0405 -0.0214 396 HIS 28 HD1 -0.0248 -0.0349 -0.0259 397 HIS 28 CE1 -0.0350 -0.0497 -0.0171 398 HIS 28 HE1 -0.0349 -0.0514 -0.0178 399 HIS 28 C -0.0197 -0.0118 -0.0254 400 HIS 28 O -0.0126 -0.0106 -0.0342 401 ASP 29 N -0.0225 -0.0060 -0.0087 402 ASP 29 HN -0.0265 -0.0058 -0.0072 403 ASP 29 CA -0.0181 -0.0018 -0.0096 404 ASP 29 HA -0.0146 -0.0046 -0.0114 405 ASP 29 CB -0.0206 0.0016 -0.0082 406 ASP 29 HB1 -0.0173 0.0048 -0.0089 407 ASP 29 HB2 -0.0245 0.0041 -0.0064 408 ASP 29 CG -0.0226 -0.0031 -0.0082 409 ASP 29 OD1 -0.0260 -0.0012 -0.0067 410 ASP 29 OD2 -0.0206 -0.0083 -0.0098 411 ASP 29 C -0.0154 0.0027 -0.0099 412 ASP 29 O -0.0183 0.0051 -0.0085 413 HIS 30 N -0.0188 -0.0043 -0.0049 414 HIS 30 HN -0.0177 -0.0050 -0.0052 415 HIS 30 CA -0.0107 -0.0016 -0.0022 416 HIS 30 HA -0.0114 -0.0036 -0.0035 417 HIS 30 CB -0.0009 -0.0049 -0.0031 418 HIS 30 HB1 0.0051 -0.0030 -0.0012 419 HIS 30 HB2 0.0002 -0.0025 -0.0015 420 HIS 30 CD2 0.0009 -0.0191 -0.0119 421 HIS 30 HD2 0.0012 -0.0177 -0.0109 422 HIS 30 CG -0.0001 -0.0141 -0.0088 423 HIS 30 NE2 0.0015 -0.0270 -0.0168 424 HIS 30 HE2 0.0019 -0.0322 -0.0200 425 HIS 30 ND1 0.0001 -0.0186 -0.0116 426 HIS 30 HD1 -0.0003 -0.0164 -0.0103 427 HIS 30 CE1 0.0010 -0.0263 -0.0164 428 HIS 30 HE1 0.0011 -0.0316 -0.0197 429 HIS 30 C -0.0109 0.0078 0.0037 430 HIS 30 O -0.0131 0.0118 0.0060 431 HIS 31 N -0.0098 0.0127 0.0110 432 HIS 31 HN -0.0091 0.0108 0.0103 433 HIS 31 CA -0.0106 0.0149 0.0118 434 HIS 31 HA -0.0123 0.0164 0.0112 435 HIS 31 CB -0.0110 0.0138 0.0107 436 HIS 31 HB1 -0.0114 0.0154 0.0114 437 HIS 31 HB2 -0.0094 0.0121 0.0110 438 HIS 31 CD2 -0.0132 0.0104 0.0064 439 HIS 31 HD2 -0.0118 0.0086 0.0065 440 HIS 31 CG -0.0131 0.0129 0.0081 441 HIS 31 NE2 -0.0156 0.0106 0.0045 442 HIS 31 HE2 -0.0163 0.0092 0.0029 443 HIS 31 ND1 -0.0153 0.0146 0.0073 444 HIS 31 HD1 -0.0158 0.0165 0.0082 445 HIS 31 CE1 -0.0168 0.0132 0.0051 446 HIS 31 HE1 -0.0186 0.0139 0.0039 447 HIS 31 C -0.0089 0.0164 0.0143 448 HIS 31 O -0.0067 0.0154 0.0156 449 THR 32 N -0.0086 0.0111 0.0114 450 THR 32 HN -0.0081 0.0115 0.0107 451 THR 32 CA -0.0089 0.0109 0.0109 452 THR 32 HA -0.0089 0.0109 0.0119 453 THR 32 CB -0.0080 0.0115 0.0097 454 THR 32 HB -0.0080 0.0115 0.0086 455 THR 32 OG1 -0.0069 0.0126 0.0103 456 THR 32 HG1 -0.0068 0.0126 0.0110 457 THR 32 CG2 -0.0082 0.0113 0.0092 458 THR 32 HG21 -0.0076 0.0119 0.0083 459 THR 32 HG22 -0.0091 0.0105 0.0086 460 THR 32 HG23 -0.0082 0.0114 0.0102 461 THR 32 C -0.0101 0.0098 0.0103 462 THR 32 O -0.0104 0.0094 0.0092 463 HIS 33 N -0.0056 0.0084 0.0183 464 HIS 33 HN -0.0045 0.0093 0.0213 465 HIS 33 CA -0.0082 0.0050 0.0168 466 HIS 33 HA -0.0094 0.0040 0.0139 467 HIS 33 CB -0.0099 0.0016 0.0206 468 HIS 33 HB1 -0.0118 -0.0009 0.0195 469 HIS 33 HB2 -0.0088 0.0025 0.0236 470 HIS 33 CD2 -0.0100 0.0014 0.0209 471 HIS 33 HD2 -0.0090 0.0035 0.0181 472 HIS 33 CG -0.0105 0.0003 0.0223 473 HIS 33 NE2 -0.0109 -0.0007 0.0239 474 HIS 33 HE2 -0.0107 -0.0004 0.0239 475 HIS 33 ND1 -0.0118 -0.0025 0.0261 476 HIS 33 HD1 -0.0124 -0.0038 0.0278 477 HIS 33 CE1 -0.0119 -0.0029 0.0269 478 HIS 33 HE1 -0.0128 -0.0048 0.0298 479 HIS 33 C -0.0077 0.0061 0.0150 480 HIS 33 O -0.0062 0.0077 0.0175 481 PHE 34 N -0.0054 0.0039 0.0067 482 PHE 34 HN -0.0066 0.0032 0.0059 483 PHE 34 CA -0.0051 0.0055 0.0061 484 PHE 34 HA -0.0039 0.0065 0.0067 485 PHE 34 CB -0.0062 0.0067 0.0042 486 PHE 34 HB1 -0.0061 0.0078 0.0038 487 PHE 34 HB2 -0.0075 0.0057 0.0035 488 PHE 34 CG -0.0059 0.0079 0.0040 489 PHE 34 CD1 -0.0045 0.0096 0.0044 490 PHE 34 HD1 -0.0036 0.0100 0.0050 491 PHE 34 CE1 -0.0042 0.0107 0.0041 492 PHE 34 HE1 -0.0031 0.0120 0.0045 493 PHE 34 CZ -0.0053 0.0101 0.0033 494 PHE 34 HZ -0.0051 0.0110 0.0031 495 PHE 34 CD2 -0.0070 0.0073 0.0032 496 PHE 34 HD2 -0.0081 0.0060 0.0028 497 PHE 34 CE2 -0.0067 0.0084 0.0028 498 PHE 34 HE2 -0.0075 0.0080 0.0022 499 PHE 34 C -0.0052 0.0047 0.0064 500 PHE 34 O -0.0065 0.0034 0.0059 501 HIS 35 N -0.0040 0.0042 0.0028 502 HIS 35 HN -0.0005 0.0065 0.0033 503 HIS 35 CA -0.0078 0.0016 0.0026 504 HIS 35 HA -0.0113 -0.0008 0.0026 505 HIS 35 CB -0.0073 0.0015 0.0082 506 HIS 35 HB1 -0.0098 -0.0002 0.0078 507 HIS 35 HB2 -0.0035 0.0041 0.0087 508 HIS 35 CD2 -0.0053 0.0021 0.0172 509 HIS 35 HD2 -0.0015 0.0047 0.0169 510 HIS 35 CG -0.0084 0.0003 0.0136 511 HIS 35 NE2 -0.0079 -0.0000 0.0219 512 HIS 35 HE2 -0.0066 0.0006 0.0252 513 HIS 35 ND1 -0.0129 -0.0029 0.0162 514 HIS 35 HD1 -0.0159 -0.0048 0.0147 515 HIS 35 CE1 -0.0124 -0.0030 0.0211 516 HIS 35 HE1 -0.0154 -0.0053 0.0240 517 HIS 35 C -0.0076 0.0022 -0.0029 518 HIS 35 O -0.0038 0.0049 -0.0042 519 VAL 36 N 0.0020 -0.0022 -0.0078 520 VAL 36 HN 0.0021 -0.0029 -0.0082 521 VAL 36 CA 0.0020 -0.0029 -0.0080 522 VAL 36 HA 0.0021 -0.0019 -0.0081 523 VAL 36 CB 0.0025 -0.0043 -0.0094 524 VAL 36 HB 0.0024 -0.0053 -0.0092 525 VAL 36 CG1 0.0025 -0.0051 -0.0094 526 VAL 36 HG11 0.0021 -0.0060 -0.0083 527 VAL 36 HG12 0.0025 -0.0041 -0.0095 528 VAL 36 HG13 0.0029 -0.0060 -0.0106 529 VAL 36 CG2 0.0031 -0.0033 -0.0110 530 VAL 36 HG21 0.0032 -0.0023 -0.0112 531 VAL 36 HG22 0.0031 -0.0027 -0.0110 532 VAL 36 HG23 0.0034 -0.0043 -0.0121 533 VAL 36 C 0.0015 -0.0038 -0.0063 534 VAL 36 O 0.0012 -0.0049 -0.0057 535 GLU 37 N 0.0073 0.0005 -0.0104 536 GLU 37 HN 0.0066 0.0010 -0.0103 537 GLU 37 CA 0.0062 -0.0006 -0.0083 538 GLU 37 HA 0.0070 -0.0010 -0.0086 539 GLU 37 CB 0.0035 0.0009 -0.0076 540 GLU 37 HB1 0.0025 0.0013 -0.0071 541 GLU 37 HB2 0.0032 0.0025 -0.0091 542 GLU 37 CG 0.0022 0.0001 -0.0056 543 GLU 37 HG1 0.0032 -0.0003 -0.0060 544 GLU 37 HG2 0.0021 -0.0014 -0.0040 545 GLU 37 CD -0.0004 0.0019 -0.0053 546 GLU 37 OE1 -0.0020 0.0022 -0.0043 547 GLU 37 OE2 -0.0008 0.0030 -0.0061 548 GLU 37 C 0.0067 -0.0027 -0.0065 549 GLU 37 O 0.0065 -0.0028 -0.0062 550 ASN 38 N 0.0206 -0.0062 -0.0047 551 ASN 38 HN 0.0230 -0.0061 -0.0070 552 ASN 38 CA 0.0225 -0.0093 0.0035 553 ASN 38 HA 0.0222 -0.0093 0.0040 554 ASN 38 CB 0.0314 -0.0125 0.0052 555 ASN 38 HB1 0.0355 -0.0127 0.0018 556 ASN 38 HB2 0.0323 -0.0148 0.0117 557 ASN 38 CG 0.0338 -0.0124 0.0024 558 ASN 38 OD1 0.0306 -0.0125 0.0057 559 ASN 38 ND2 0.0397 -0.0123 -0.0037 560 ASN 38 HD21 0.0413 -0.0123 -0.0053 561 ASN 38 HD22 0.0425 -0.0124 -0.0062 562 ASN 38 C 0.0162 -0.0094 0.0102 563 ASN 38 O 0.0124 -0.0080 0.0096 564 HIS 39 N 0.0179 -0.0114 0.0062 565 HIS 39 HN 0.0211 -0.0124 0.0063 566 HIS 39 CA 0.0128 -0.0124 0.0107 567 HIS 39 HA 0.0113 -0.0127 0.0119 568 HIS 39 CB 0.0073 -0.0098 0.0089 569 HIS 39 HB1 0.0039 -0.0109 0.0126 570 HIS 39 HB2 0.0090 -0.0091 0.0068 571 HIS 39 CD2 0.0040 -0.0036 -0.0005 572 HIS 39 HD2 0.0073 -0.0028 -0.0037 573 HIS 39 CG 0.0037 -0.0066 0.0051 574 HIS 39 NE2 -0.0004 -0.0016 -0.0018 575 HIS 39 HE2 -0.0010 0.0007 -0.0056 576 HIS 39 ND1 -0.0010 -0.0065 0.0074 577 HIS 39 HD1 -0.0024 -0.0084 0.0115 578 HIS 39 CE1 -0.0033 -0.0035 0.0031 579 HIS 39 HE1 -0.0071 -0.0026 0.0034 580 HIS 39 C 0.0150 -0.0159 0.0158 581 HIS 39 O 0.0117 -0.0166 0.0188 582 GLY 40 N 0.0289 -0.0378 0.0342 583 GLY 40 HN 0.0345 -0.0381 0.0294 584 GLY 40 CA 0.0345 -0.0458 0.0431 585 GLY 40 HA1 0.0268 -0.0460 0.0506 586 GLY 40 HA2 0.0410 -0.0514 0.0469 587 GLY 40 C 0.0428 -0.0463 0.0362 588 GLY 40 O 0.0500 -0.0441 0.0256 589 GLY 41 N 0.0386 -0.0398 0.0343 590 GLY 41 HN 0.0348 -0.0384 0.0435 591 GLY 41 CA 0.0414 -0.0405 0.0260 592 GLY 41 HA1 0.0393 -0.0399 0.0321 593 GLY 41 HA2 0.0496 -0.0468 0.0227 594 GLY 41 C 0.0362 -0.0335 0.0133 595 GLY 41 O 0.0401 -0.0350 0.0042 596 LYS 42 N 0.0221 -0.0117 0.0060 597 LYS 42 HN 0.0211 -0.0113 0.0090 598 LYS 42 CA 0.0202 -0.0087 0.0016 599 LYS 42 HA 0.0219 -0.0098 -0.0019 600 LYS 42 CB 0.0166 -0.0051 0.0023 601 LYS 42 HB1 0.0149 -0.0026 -0.0005 602 LYS 42 HB2 0.0151 -0.0044 0.0063 603 LYS 42 CG 0.0172 -0.0055 0.0012 604 LYS 42 HG1 0.0189 -0.0079 0.0039 605 LYS 42 HG2 0.0189 -0.0064 -0.0027 606 LYS 42 CD 0.0137 -0.0018 0.0012 607 LYS 42 HD1 0.0144 -0.0022 -0.0005 608 LYS 42 HD2 0.0121 0.0005 -0.0015 609 LYS 42 CE 0.0113 -0.0003 0.0064 610 LYS 42 HE1 0.0088 0.0024 0.0059 611 LYS 42 HE2 0.0105 0.0001 0.0082 612 LYS 42 NZ 0.0132 -0.0032 0.0100 613 LYS 42 HZ1 0.0114 -0.0021 0.0134 614 LYS 42 HZ2 0.0141 -0.0038 0.0082 615 LYS 42 HZ3 0.0154 -0.0057 0.0108 616 LYS 42 C 0.0197 -0.0080 0.0005 617 LYS 42 O 0.0190 -0.0081 0.0041 618 VAL 43 N 0.0143 -0.0067 -0.0047 619 VAL 43 HN 0.0145 -0.0065 -0.0064 620 VAL 43 CA 0.0141 -0.0062 -0.0064 621 VAL 43 HA 0.0148 -0.0071 -0.0046 622 VAL 43 CB 0.0160 -0.0070 -0.0101 623 VAL 43 HB 0.0159 -0.0067 -0.0110 624 VAL 43 CG1 0.0193 -0.0095 -0.0095 625 VAL 43 HG11 0.0207 -0.0102 -0.0121 626 VAL 43 HG12 0.0200 -0.0105 -0.0073 627 VAL 43 HG13 0.0196 -0.0099 -0.0088 628 VAL 43 CG2 0.0149 -0.0056 -0.0131 629 VAL 43 HG21 0.0165 -0.0062 -0.0156 630 VAL 43 HG22 0.0149 -0.0057 -0.0122 631 VAL 43 HG23 0.0127 -0.0038 -0.0137 632 VAL 43 C 0.0109 -0.0037 -0.0069 633 VAL 43 O 0.0090 -0.0023 -0.0067 634 ALA 44 N 0.0057 0.0000 -0.0087 635 ALA 44 HN 0.0062 -0.0008 -0.0085 636 ALA 44 CA 0.0043 0.0020 -0.0089 637 ALA 44 HA 0.0039 0.0027 -0.0092 638 ALA 44 CB 0.0031 0.0024 -0.0069 639 ALA 44 HB1 0.0030 0.0018 -0.0055 640 ALA 44 HB2 0.0035 0.0017 -0.0066 641 ALA 44 HB3 0.0021 0.0039 -0.0070 642 ALA 44 C 0.0046 0.0026 -0.0108 643 ALA 44 O 0.0056 0.0016 -0.0112 644 LEU 45 N 0.0012 0.0012 -0.0093 645 LEU 45 HN 0.0011 0.0017 -0.0092 646 LEU 45 CA 0.0016 0.0019 -0.0102 647 LEU 45 HA 0.0019 0.0011 -0.0103 648 LEU 45 CB 0.0023 0.0025 -0.0116 649 LEU 45 HB1 0.0025 0.0032 -0.0123 650 LEU 45 HB2 0.0020 0.0033 -0.0115 651 LEU 45 CG 0.0031 0.0013 -0.0124 652 LEU 45 HG 0.0029 0.0006 -0.0118 653 LEU 45 CD1 0.0037 0.0020 -0.0138 654 LEU 45 HD11 0.0043 0.0011 -0.0144 655 LEU 45 HD12 0.0034 0.0027 -0.0135 656 LEU 45 HD13 0.0039 0.0027 -0.0145 657 LEU 45 CD2 0.0036 0.0001 -0.0128 658 LEU 45 HD21 0.0035 0.0007 -0.0129 659 LEU 45 HD22 0.0033 -0.0008 -0.0119 660 LEU 45 HD23 0.0043 -0.0004 -0.0137 661 LEU 45 C 0.0008 0.0033 -0.0095 662 LEU 45 O 0.0004 0.0043 -0.0092 663 LYS 46 N -0.0019 0.0068 -0.0047 664 LYS 46 HN -0.0032 0.0062 -0.0045 665 LYS 46 CA -0.0009 0.0071 -0.0030 666 LYS 46 HA 0.0005 0.0078 -0.0033 667 LYS 46 CB -0.0010 0.0069 -0.0023 668 LYS 46 HB1 -0.0009 0.0072 -0.0036 669 LYS 46 HB2 0.0001 0.0073 -0.0013 670 LYS 46 CG -0.0027 0.0060 -0.0014 671 LYS 46 HG1 -0.0028 0.0057 -0.0001 672 LYS 46 HG2 -0.0038 0.0056 -0.0024 673 LYS 46 CD -0.0027 0.0059 -0.0010 674 LYS 46 HD1 -0.0028 0.0061 -0.0024 675 LYS 46 HD2 -0.0015 0.0064 -0.0003 676 LYS 46 CE -0.0042 0.0050 0.0001 677 LYS 46 HE1 -0.0041 0.0049 0.0016 678 LYS 46 HE2 -0.0054 0.0045 -0.0006 679 LYS 46 NZ -0.0041 0.0050 0.0003 680 LYS 46 HZ1 -0.0047 0.0049 -0.0010 681 LYS 46 HZ2 -0.0048 0.0045 0.0014 682 LYS 46 HZ3 -0.0029 0.0056 0.0004 683 LYS 46 C -0.0012 0.0067 -0.0015 684 LYS 46 O -0.0025 0.0060 -0.0014 685 THR 47 N -0.0036 0.0078 0.0030 686 THR 47 HN -0.0021 0.0088 0.0030 687 THR 47 CA -0.0038 0.0070 0.0051 688 THR 47 HA -0.0050 0.0065 0.0044 689 THR 47 CB -0.0017 0.0080 0.0060 690 THR 47 HB -0.0020 0.0074 0.0073 691 THR 47 OG1 0.0000 0.0086 0.0073 692 THR 47 HG1 0.0013 0.0093 0.0076 693 THR 47 CG2 -0.0007 0.0093 0.0039 694 THR 47 HG21 -0.0002 0.0100 0.0027 695 THR 47 HG22 0.0008 0.0100 0.0046 696 THR 47 HG23 -0.0020 0.0089 0.0028 697 THR 47 C -0.0047 0.0058 0.0072 698 THR 47 O -0.0048 0.0057 0.0073 699 HIS 48 N -0.0067 0.0076 0.0176 700 HIS 48 HN -0.0066 0.0079 0.0168 701 HIS 48 CA -0.0071 0.0060 0.0208 702 HIS 48 HA -0.0087 0.0044 0.0207 703 HIS 48 CB -0.0076 0.0052 0.0218 704 HIS 48 HB1 -0.0092 0.0042 0.0201 705 HIS 48 HB2 -0.0080 0.0039 0.0242 706 HIS 48 CD2 -0.0042 0.0078 0.0245 707 HIS 48 HD2 -0.0042 0.0069 0.0270 708 HIS 48 CG -0.0056 0.0073 0.0219 709 HIS 48 NE2 -0.0026 0.0098 0.0232 710 HIS 48 HE2 -0.0014 0.0107 0.0244 711 HIS 48 ND1 -0.0049 0.0089 0.0191 712 HIS 48 HD1 -0.0057 0.0089 0.0168 713 HIS 48 CE1 -0.0032 0.0104 0.0200 714 HIS 48 HE1 -0.0022 0.0119 0.0183 715 HIS 48 C -0.0051 0.0072 0.0234 716 HIS 48 O -0.0055 0.0060 0.0258 717 CYS 49 N -0.0038 0.0068 0.0181 718 CYS 49 HN -0.0029 0.0073 0.0164 719 CYS 49 CA -0.0010 0.0076 0.0195 720 CYS 49 HA -0.0020 0.0068 0.0222 721 CYS 49 CB 0.0029 0.0088 0.0206 722 CYS 49 HB1 0.0040 0.0096 0.0178 723 CYS 49 HB2 0.0023 0.0083 0.0226 724 CYS 49 SG 0.0066 0.0097 0.0231 725 CYS 49 HG1 0.0059 0.0098 0.0206 726 CYS 49 C -0.0005 0.0082 0.0162 727 CYS 49 O 0.0019 0.0090 0.0167 728 GLY 50 N 0.0002 0.0060 0.0100 729 GLY 50 HN -0.0010 0.0059 0.0101 730 GLY 50 CA -0.0004 0.0059 0.0070 731 GLY 50 HA1 -0.0008 0.0059 0.0076 732 GLY 50 HA2 -0.0025 0.0056 0.0059 733 GLY 50 C 0.0023 0.0062 0.0046 734 GLY 50 O 0.0025 0.0062 0.0024 735 LYS 51 N 0.0025 0.0051 0.0027 736 LYS 51 HN 0.0012 0.0036 0.0037 737 LYS 51 CA 0.0041 0.0076 0.0008 738 LYS 51 HA 0.0062 0.0088 0.0005 739 LYS 51 CB 0.0056 0.0074 0.0019 740 LYS 51 HB1 0.0071 0.0093 0.0004 741 LYS 51 HB2 0.0034 0.0064 0.0018 742 LYS 51 CG 0.0081 0.0058 0.0050 743 LYS 51 HG1 0.0086 0.0055 0.0056 744 LYS 51 HG2 0.0068 0.0039 0.0065 745 LYS 51 CD 0.0116 0.0073 0.0052 746 LYS 51 HD1 0.0111 0.0078 0.0044 747 LYS 51 HD2 0.0128 0.0091 0.0038 748 LYS 51 CE 0.0139 0.0057 0.0083 749 LYS 51 HE1 0.0140 0.0049 0.0093 750 LYS 51 HE2 0.0129 0.0040 0.0096 751 LYS 51 NZ 0.0175 0.0073 0.0085 752 LYS 51 HZ1 0.0190 0.0061 0.0106 753 LYS 51 HZ2 0.0186 0.0087 0.0075 754 LYS 51 HZ3 0.0175 0.0083 0.0074 755 LYS 51 C 0.0015 0.0089 -0.0022 756 LYS 51 O -0.0015 0.0077 -0.0024 757 TYR 52 N 0.0023 0.0086 -0.0052 758 TYR 52 HN 0.0032 0.0092 -0.0048 759 TYR 52 CA 0.0015 0.0085 -0.0070 760 TYR 52 HA 0.0004 0.0076 -0.0071 761 TYR 52 CB 0.0016 0.0087 -0.0074 762 TYR 52 HB1 0.0012 0.0089 -0.0088 763 TYR 52 HB2 0.0027 0.0095 -0.0070 764 TYR 52 CG 0.0007 0.0076 -0.0064 765 TYR 52 CD1 0.0011 0.0073 -0.0046 766 TYR 52 HD1 0.0021 0.0079 -0.0038 767 TYR 52 CE1 0.0003 0.0063 -0.0037 768 TYR 52 HE1 0.0007 0.0061 -0.0023 769 TYR 52 CZ -0.0009 0.0055 -0.0046 770 TYR 52 OH -0.0018 0.0044 -0.0036 771 TYR 52 HH -0.0026 0.0040 -0.0045 772 TYR 52 CD2 -0.0006 0.0068 -0.0073 773 TYR 52 HD2 -0.0009 0.0069 -0.0087 774 TYR 52 CE2 -0.0014 0.0057 -0.0064 775 TYR 52 HE2 -0.0024 0.0051 -0.0071 776 TYR 52 C 0.0020 0.0094 -0.0084 777 TYR 52 O 0.0032 0.0106 -0.0084 778 LEU 53 N -0.0015 0.0081 -0.0097 779 LEU 53 HN -0.0024 0.0080 -0.0096 780 LEU 53 CA -0.0010 0.0082 -0.0102 781 LEU 53 HA -0.0001 0.0082 -0.0097 782 LEU 53 CB -0.0018 0.0081 -0.0101 783 LEU 53 HB1 -0.0014 0.0082 -0.0106 784 LEU 53 HB2 -0.0027 0.0081 -0.0104 785 LEU 53 CG -0.0019 0.0079 -0.0088 786 LEU 53 HG -0.0009 0.0080 -0.0084 787 LEU 53 CD1 -0.0026 0.0078 -0.0079 788 LEU 53 HD11 -0.0026 0.0076 -0.0070 789 LEU 53 HD12 -0.0022 0.0078 -0.0077 790 LEU 53 HD13 -0.0035 0.0077 -0.0082 791 LEU 53 CD2 -0.0024 0.0079 -0.0088 792 LEU 53 HD21 -0.0018 0.0080 -0.0094 793 LEU 53 HD22 -0.0024 0.0078 -0.0078 794 LEU 53 HD23 -0.0033 0.0079 -0.0091 795 LEU 53 C -0.0006 0.0084 -0.0115 796 LEU 53 O -0.0013 0.0084 -0.0122 797 SER 54 N 0.0002 0.0045 -0.0127 798 SER 54 HN 0.0000 0.0037 -0.0125 799 SER 54 CA 0.0003 0.0051 -0.0129 800 SER 54 HA 0.0002 0.0060 -0.0130 801 SER 54 CB 0.0012 0.0047 -0.0136 802 SER 54 HB1 0.0013 0.0038 -0.0135 803 SER 54 HB2 0.0018 0.0049 -0.0141 804 SER 54 OG 0.0014 0.0053 -0.0139 805 SER 54 HG1 0.0015 0.0061 -0.0141 806 SER 54 C -0.0004 0.0048 -0.0123 807 SER 54 O -0.0007 0.0039 -0.0119 808 ILE 55 N -0.0021 -0.0009 -0.0143 809 ILE 55 HN -0.0016 -0.0002 -0.0142 810 ILE 55 CA -0.0029 -0.0021 -0.0125 811 ILE 55 HA -0.0032 -0.0025 -0.0127 812 ILE 55 CB -0.0023 -0.0013 -0.0101 813 ILE 55 HB -0.0022 -0.0011 -0.0097 814 ILE 55 CG2 -0.0009 0.0007 -0.0102 815 ILE 55 HG21 -0.0009 0.0007 -0.0108 816 ILE 55 HG22 -0.0003 0.0016 -0.0113 817 ILE 55 HG23 -0.0004 0.0013 -0.0085 818 ILE 55 CG1 -0.0031 -0.0024 -0.0082 819 ILE 55 HG11 -0.0039 -0.0036 -0.0078 820 ILE 55 HG12 -0.0024 -0.0015 -0.0067 821 ILE 55 CD -0.0036 -0.0031 -0.0088 822 ILE 55 HD1 -0.0044 -0.0042 -0.0102 823 ILE 55 HD2 -0.0028 -0.0020 -0.0094 824 ILE 55 HD3 -0.0041 -0.0038 -0.0073 825 ILE 55 C -0.0042 -0.0039 -0.0127 826 ILE 55 O -0.0051 -0.0052 -0.0113 827 GLY 56 N -0.0022 -0.0016 -0.0135 828 GLY 56 HN -0.0003 0.0016 -0.0165 829 GLY 56 CA -0.0053 -0.0067 -0.0160 830 GLY 56 HA1 -0.0066 -0.0088 -0.0185 831 GLY 56 HA2 -0.0046 -0.0053 -0.0193 832 GLY 56 C -0.0076 -0.0106 -0.0114 833 GLY 56 O -0.0065 -0.0091 -0.0070 834 ASP 57 N -0.0218 -0.0279 -0.0149 835 ASP 57 HN -0.0282 -0.0255 -0.0279 836 ASP 57 CA -0.0315 -0.0418 -0.0014 837 ASP 57 HA -0.0276 -0.0450 0.0100 838 ASP 57 CB -0.0511 -0.0502 -0.0110 839 ASP 57 HB1 -0.0591 -0.0609 -0.0012 840 ASP 57 HB2 -0.0552 -0.0468 -0.0228 841 ASP 57 CG -0.0555 -0.0491 -0.0189 842 ASP 57 OD1 -0.0446 -0.0440 -0.0144 843 ASP 57 OD2 -0.0705 -0.0541 -0.0291 844 ASP 57 C -0.0293 -0.0444 0.0065 845 ASP 57 O -0.0390 -0.0557 0.0153 846 HIS 58 N -0.0147 -0.0270 -0.0091 847 HIS 58 HN -0.0138 -0.0244 -0.0100 848 HIS 58 CA -0.0123 -0.0265 -0.0078 849 HIS 58 HA -0.0118 -0.0300 -0.0055 850 HIS 58 CB -0.0152 -0.0250 -0.0106 851 HIS 58 HB1 -0.0163 -0.0219 -0.0131 852 HIS 58 HB2 -0.0185 -0.0280 -0.0110 853 HIS 58 CD2 -0.0126 -0.0198 -0.0119 854 HIS 58 HD2 -0.0138 -0.0167 -0.0145 855 HIS 58 CG -0.0130 -0.0238 -0.0099 856 HIS 58 NE2 -0.0104 -0.0206 -0.0100 857 HIS 58 HE2 -0.0098 -0.0184 -0.0109 858 HIS 58 ND1 -0.0111 -0.0270 -0.0067 859 HIS 58 HD1 -0.0109 -0.0302 -0.0047 860 HIS 58 CE1 -0.0096 -0.0249 -0.0069 861 HIS 58 HE1 -0.0079 -0.0265 -0.0050 862 HIS 58 C -0.0074 -0.0231 -0.0066 863 HIS 58 O -0.0059 -0.0206 -0.0071 864 LYS 59 N -0.0067 -0.0240 -0.0113 865 LYS 59 HN -0.0048 -0.0255 -0.0111 866 LYS 59 CA -0.0029 -0.0211 -0.0089 867 LYS 59 HA -0.0035 -0.0231 -0.0098 868 LYS 59 CB 0.0038 -0.0224 -0.0068 869 LYS 59 HB1 0.0066 -0.0198 -0.0049 870 LYS 59 HB2 0.0044 -0.0205 -0.0060 871 LYS 59 CG 0.0064 -0.0291 -0.0081 872 LYS 59 HG1 0.0113 -0.0294 -0.0064 873 LYS 59 HG2 0.0044 -0.0314 -0.0097 874 LYS 59 CD 0.0052 -0.0325 -0.0097 875 LYS 59 HD1 0.0077 -0.0371 -0.0104 876 LYS 59 HD2 0.0004 -0.0331 -0.0118 877 LYS 59 CE 0.0068 -0.0296 -0.0082 878 LYS 59 HE1 0.0060 -0.0326 -0.0095 879 LYS 59 HE2 0.0040 -0.0252 -0.0077 880 LYS 59 NZ 0.0131 -0.0283 -0.0054 881 LYS 59 HZ1 0.0159 -0.0322 -0.0056 882 LYS 59 HZ2 0.0138 -0.0251 -0.0040 883 LYS 59 HZ3 0.0141 -0.0267 -0.0044 884 LYS 59 C -0.0043 -0.0144 -0.0071 885 LYS 59 O -0.0035 -0.0122 -0.0061 886 GLN 60 N -0.0043 -0.0095 -0.0080 887 GLN 60 HN -0.0050 -0.0112 -0.0089 888 GLN 60 CA -0.0046 -0.0064 -0.0081 889 GLN 60 HA -0.0034 -0.0050 -0.0067 890 GLN 60 CB -0.0046 -0.0064 -0.0081 891 GLN 60 HB1 -0.0047 -0.0040 -0.0080 892 GLN 60 HB2 -0.0060 -0.0075 -0.0097 893 GLN 60 CG -0.0027 -0.0081 -0.0061 894 GLN 60 HG1 -0.0026 -0.0075 -0.0060 895 GLN 60 HG2 -0.0028 -0.0106 -0.0064 896 GLN 60 CD -0.0006 -0.0074 -0.0038 897 GLN 60 OE1 0.0003 -0.0093 -0.0030 898 GLN 60 NE2 0.0002 -0.0047 -0.0027 899 GLN 60 HE21 -0.0005 -0.0032 -0.0034 900 GLN 60 HE22 0.0017 -0.0043 -0.0011 901 GLN 60 C -0.0067 -0.0050 -0.0102 902 GLN 60 O -0.0083 -0.0065 -0.0120 903 VAL 61 N -0.0050 0.0003 -0.0095 904 VAL 61 HN -0.0044 0.0009 -0.0089 905 VAL 61 CA -0.0057 0.0011 -0.0103 906 VAL 61 HA -0.0058 0.0005 -0.0104 907 VAL 61 CB -0.0052 0.0025 -0.0099 908 VAL 61 HB -0.0050 0.0031 -0.0097 909 VAL 61 CG1 -0.0059 0.0034 -0.0108 910 VAL 61 HG11 -0.0063 0.0028 -0.0110 911 VAL 61 HG12 -0.0056 0.0043 -0.0105 912 VAL 61 HG13 -0.0065 0.0037 -0.0114 913 VAL 61 CG2 -0.0044 0.0023 -0.0090 914 VAL 61 HG21 -0.0040 0.0033 -0.0088 915 VAL 61 HG22 -0.0046 0.0016 -0.0092 916 VAL 61 HG23 -0.0038 0.0017 -0.0084 917 VAL 61 C -0.0066 0.0012 -0.0113 918 VAL 61 O -0.0067 0.0016 -0.0114 919 TYR 62 N -0.0067 0.0033 -0.0135 920 TYR 62 HN -0.0061 0.0038 -0.0126 921 TYR 62 CA -0.0064 0.0030 -0.0140 922 TYR 62 HA -0.0072 0.0026 -0.0148 923 TYR 62 CB -0.0065 0.0038 -0.0127 924 TYR 62 HB1 -0.0054 0.0042 -0.0119 925 TYR 62 HB2 -0.0076 0.0042 -0.0120 926 TYR 62 CG -0.0067 0.0035 -0.0132 927 TYR 62 CD1 -0.0054 0.0035 -0.0131 928 TYR 62 HD1 -0.0042 0.0037 -0.0127 929 TYR 62 CE1 -0.0056 0.0032 -0.0136 930 TYR 62 HE1 -0.0046 0.0032 -0.0136 931 TYR 62 CZ -0.0072 0.0029 -0.0142 932 TYR 62 OH -0.0073 0.0026 -0.0147 933 TYR 62 HH -0.0082 0.0022 -0.0155 934 TYR 62 CD2 -0.0083 0.0032 -0.0137 935 TYR 62 HD2 -0.0093 0.0032 -0.0138 936 TYR 62 CE2 -0.0085 0.0029 -0.0142 937 TYR 62 HE2 -0.0097 0.0027 -0.0147 938 TYR 62 C -0.0046 0.0026 -0.0146 939 TYR 62 O -0.0035 0.0028 -0.0143 940 LEU 63 N -0.0011 0.0104 -0.0070 941 LEU 63 HN -0.0003 0.0105 -0.0067 942 LEU 63 CA -0.0017 0.0103 -0.0064 943 LEU 63 HA -0.0025 0.0103 -0.0067 944 LEU 63 CB -0.0018 0.0101 -0.0053 945 LEU 63 HB1 -0.0011 0.0101 -0.0049 946 LEU 63 HB2 -0.0018 0.0101 -0.0053 947 LEU 63 CG -0.0028 0.0099 -0.0048 948 LEU 63 HG -0.0029 0.0100 -0.0050 949 LEU 63 CD1 -0.0037 0.0099 -0.0052 950 LEU 63 HD11 -0.0037 0.0099 -0.0050 951 LEU 63 HD12 -0.0044 0.0098 -0.0048 952 LEU 63 HD13 -0.0038 0.0101 -0.0060 953 LEU 63 CD2 -0.0026 0.0097 -0.0036 954 LEU 63 HD21 -0.0034 0.0096 -0.0032 955 LEU 63 HD22 -0.0025 0.0097 -0.0034 956 LEU 63 HD23 -0.0020 0.0097 -0.0034 957 LEU 63 C -0.0012 0.0103 -0.0065 958 LEU 63 O -0.0004 0.0104 -0.0062 959 SER 64 N 0.0065 0.0105 -0.0078 960 SER 64 HN 0.0051 0.0101 -0.0083 961 SER 64 CA 0.0082 0.0113 -0.0075 962 SER 64 HA 0.0095 0.0120 -0.0074 963 SER 64 CB 0.0077 0.0125 -0.0091 964 SER 64 HB1 0.0062 0.0119 -0.0093 965 SER 64 HB2 0.0075 0.0135 -0.0101 966 SER 64 OG 0.0092 0.0133 -0.0089 967 SER 64 HG1 0.0089 0.0126 -0.0084 968 SER 64 C 0.0086 0.0100 -0.0060 969 SER 64 O 0.0074 0.0087 -0.0054 970 HIS 65 N 0.0156 0.0160 -0.0032 971 HIS 65 HN 0.0178 0.0193 -0.0042 972 HIS 65 CA 0.0168 0.0133 0.0010 973 HIS 65 HA 0.0146 0.0099 0.0021 974 HIS 65 CB 0.0211 0.0146 0.0049 975 HIS 65 HB1 0.0235 0.0181 0.0040 976 HIS 65 HB2 0.0214 0.0144 0.0054 977 HIS 65 CD2 0.0250 0.0127 0.0117 978 HIS 65 HD2 0.0271 0.0158 0.0109 979 HIS 65 CG 0.0222 0.0117 0.0093 980 HIS 65 NE2 0.0246 0.0088 0.0154 981 HIS 65 HE2 0.0262 0.0083 0.0178 982 HIS 65 ND1 0.0201 0.0073 0.0116 983 HIS 65 HD1 0.0180 0.0058 0.0107 984 HIS 65 CE1 0.0217 0.0057 0.0152 985 HIS 65 HE1 0.0207 0.0022 0.0177 986 HIS 65 C 0.0165 0.0137 0.0002 987 HIS 65 O 0.0187 0.0173 -0.0009 988 HIS 66 N 0.0122 0.0112 0.0001 989 HIS 66 HN 0.0107 0.0085 0.0018 990 HIS 66 CA 0.0103 0.0110 -0.0019 991 HIS 66 HA 0.0076 0.0078 -0.0009 992 HIS 66 CB 0.0135 0.0122 0.0004 993 HIS 66 HB1 0.0118 0.0118 -0.0011 994 HIS 66 HB2 0.0164 0.0155 -0.0004 995 HIS 66 CD2 0.0188 0.0103 0.0090 996 HIS 66 HD2 0.0217 0.0133 0.0086 997 HIS 66 CG 0.0150 0.0094 0.0056 998 HIS 66 NE2 0.0184 0.0067 0.0132 999 HIS 66 HE2 0.0206 0.0062 0.0163 1000 HIS 66 ND1 0.0122 0.0053 0.0076 1001 HIS 66 HD1 0.0091 0.0038 0.0060 1002 HIS 66 CE1 0.0144 0.0038 0.0121 1003 HIS 66 HE1 0.0131 0.0005 0.0148 1004 HIS 66 C 0.0082 0.0133 -0.0073 1005 HIS 66 O 0.0084 0.0153 -0.0096 1006 LEU 67 N 0.0043 0.0078 -0.0050 1007 LEU 67 HN 0.0038 0.0073 -0.0045 1008 LEU 67 CA 0.0042 0.0078 -0.0065 1009 LEU 67 HA 0.0042 0.0079 -0.0067 1010 LEU 67 CB 0.0030 0.0070 -0.0070 1011 LEU 67 HB1 0.0028 0.0069 -0.0067 1012 LEU 67 HB2 0.0024 0.0065 -0.0064 1013 LEU 67 CG 0.0026 0.0069 -0.0085 1014 LEU 67 HG 0.0030 0.0073 -0.0092 1015 LEU 67 CD1 0.0030 0.0072 -0.0091 1016 LEU 67 HD11 0.0039 0.0079 -0.0091 1017 LEU 67 HD12 0.0027 0.0069 -0.0084 1018 LEU 67 HD13 0.0026 0.0071 -0.0101 1019 LEU 67 CD2 0.0013 0.0060 -0.0088 1020 LEU 67 HD21 0.0010 0.0059 -0.0099 1021 LEU 67 HD22 0.0009 0.0056 -0.0082 1022 LEU 67 HD23 0.0010 0.0057 -0.0084 1023 LEU 67 C 0.0051 0.0086 -0.0072 1024 LEU 67 O 0.0052 0.0086 -0.0073 1025 HIS 68 N 0.0088 0.0090 -0.0167 1026 HIS 68 HN 0.0081 0.0083 -0.0136 1027 HIS 68 CA 0.0111 0.0082 -0.0191 1028 HIS 68 HA 0.0132 0.0075 -0.0213 1029 HIS 68 CB 0.0130 0.0058 -0.0164 1030 HIS 68 HB1 0.0110 0.0064 -0.0141 1031 HIS 68 HB2 0.0145 0.0040 -0.0146 1032 HIS 68 CD2 0.0164 0.0039 -0.0181 1033 HIS 68 HD2 0.0150 0.0040 -0.0157 1034 HIS 68 CG 0.0158 0.0046 -0.0187 1035 HIS 68 NE2 0.0193 0.0030 -0.0213 1036 HIS 68 HE2 0.0202 0.0026 -0.0221 1037 HIS 68 ND1 0.0182 0.0042 -0.0222 1038 HIS 68 HD1 0.0184 0.0046 -0.0234 1039 HIS 68 CE1 0.0203 0.0032 -0.0236 1040 HIS 68 HE1 0.0224 0.0027 -0.0264 1041 HIS 68 C 0.0092 0.0107 -0.0218 1042 HIS 68 O 0.0060 0.0126 -0.0206 1043 GLY 69 N 0.0159 0.0095 -0.0211 1044 GLY 69 HN 0.0166 0.0075 -0.0222 1045 GLY 69 CA 0.0156 0.0120 -0.0210 1046 GLY 69 HA1 0.0164 0.0114 -0.0227 1047 GLY 69 HA2 0.0156 0.0143 -0.0213 1048 GLY 69 C 0.0143 0.0120 -0.0181 1049 GLY 69 O 0.0135 0.0146 -0.0169 1050 ASP 70 N 0.0170 0.0140 -0.0243 1051 ASP 70 HN 0.0202 0.0098 -0.0253 1052 ASP 70 CA 0.0123 0.0145 -0.0205 1053 ASP 70 HA 0.0110 0.0199 -0.0216 1054 ASP 70 CB 0.0142 0.0099 -0.0202 1055 ASP 70 HB1 0.0109 0.0110 -0.0178 1056 ASP 70 HB2 0.0151 0.0043 -0.0186 1057 ASP 70 CG 0.0195 0.0115 -0.0255 1058 ASP 70 OD1 0.0191 0.0174 -0.0275 1059 ASP 70 OD2 0.0242 0.0069 -0.0275 1060 ASP 70 C 0.0072 0.0127 -0.0154 1061 ASP 70 O 0.0078 0.0086 -0.0142 1062 HIS 71 N 0.0081 0.0126 -0.0074 1063 HIS 71 HN 0.0074 0.0148 -0.0049 1064 HIS 71 CA 0.0060 0.0117 -0.0068 1065 HIS 71 HA 0.0066 0.0147 -0.0045 1066 HIS 71 CB 0.0006 0.0096 -0.0052 1067 HIS 71 HB1 -0.0011 0.0093 -0.0045 1068 HIS 71 HB2 -0.0003 0.0066 -0.0074 1069 HIS 71 CD2 -0.0037 0.0113 -0.0009 1070 HIS 71 HD2 -0.0046 0.0085 -0.0028 1071 HIS 71 CG -0.0014 0.0122 -0.0016 1072 HIS 71 NE2 -0.0047 0.0147 0.0028 1073 HIS 71 HE2 -0.0063 0.0151 0.0042 1074 HIS 71 ND1 -0.0009 0.0161 0.0016 1075 HIS 71 HD1 0.0007 0.0176 0.0019 1076 HIS 71 CE1 -0.0029 0.0175 0.0042 1077 HIS 71 HE1 -0.0032 0.0206 0.0071 1078 HIS 71 C 0.0079 0.0095 -0.0101 1079 HIS 71 O 0.0055 0.0061 -0.0115 1080 SER 72 N 0.0026 0.0086 -0.0099 1081 SER 72 HN 0.0030 0.0093 -0.0098 1082 SER 72 CA 0.0029 0.0076 -0.0101 1083 SER 72 HA 0.0022 0.0070 -0.0102 1084 SER 72 CB 0.0040 0.0071 -0.0103 1085 SER 72 HB1 0.0041 0.0063 -0.0104 1086 SER 72 HB2 0.0047 0.0077 -0.0102 1087 SER 72 OG 0.0039 0.0069 -0.0103 1088 SER 72 HG1 0.0041 0.0076 -0.0102 1089 SER 72 C 0.0030 0.0078 -0.0101 1090 SER 72 O 0.0034 0.0070 -0.0102 1091 LEU 73 N 0.0039 0.0057 -0.0050 1092 LEU 73 HN 0.0025 0.0062 -0.0035 1093 LEU 73 CA 0.0077 0.0035 -0.0051 1094 LEU 73 HA 0.0089 0.0031 -0.0067 1095 LEU 73 CB 0.0090 0.0017 -0.0009 1096 LEU 73 HB1 0.0119 0.0001 -0.0012 1097 LEU 73 HB2 0.0084 0.0018 0.0004 1098 LEU 73 CG 0.0073 0.0020 0.0023 1099 LEU 73 HG 0.0043 0.0037 0.0026 1100 LEU 73 CD1 0.0087 0.0003 0.0063 1101 LEU 73 HD11 0.0073 0.0005 0.0087 1102 LEU 73 HD12 0.0080 0.0004 0.0074 1103 LEU 73 HD13 0.0115 -0.0014 0.0061 1104 LEU 73 CD2 0.0080 0.0019 0.0009 1105 LEU 73 HD21 0.0070 0.0032 -0.0020 1106 LEU 73 HD22 0.0067 0.0021 0.0033 1107 LEU 73 HD23 0.0109 0.0002 0.0005 1108 LEU 73 C 0.0092 0.0031 -0.0075 1109 LEU 73 O 0.0077 0.0039 -0.0069 1110 PHE 74 N 0.0071 -0.0019 -0.0069 1111 PHE 74 HN 0.0077 -0.0019 -0.0073 1112 PHE 74 CA 0.0082 -0.0018 -0.0081 1113 PHE 74 HA 0.0074 -0.0017 -0.0075 1114 PHE 74 CB 0.0080 -0.0008 -0.0107 1115 PHE 74 HB1 0.0090 -0.0008 -0.0116 1116 PHE 74 HB2 0.0086 -0.0008 -0.0113 1117 PHE 74 CG 0.0056 0.0002 -0.0111 1118 PHE 74 CD1 0.0042 0.0007 -0.0111 1119 PHE 74 HD1 0.0048 0.0003 -0.0107 1120 PHE 74 CE1 0.0020 0.0016 -0.0116 1121 PHE 74 HE1 0.0009 0.0020 -0.0116 1122 PHE 74 CZ 0.0012 0.0021 -0.0121 1123 PHE 74 HZ -0.0005 0.0028 -0.0125 1124 PHE 74 CD2 0.0048 0.0007 -0.0117 1125 PHE 74 HD2 0.0059 0.0003 -0.0117 1126 PHE 74 CE2 0.0026 0.0016 -0.0122 1127 PHE 74 HE2 0.0020 0.0020 -0.0126 1128 PHE 74 C 0.0107 -0.0027 -0.0079 1129 PHE 74 O 0.0118 -0.0034 -0.0072 1130 HIS 75 N 0.0109 -0.0056 -0.0065 1131 HIS 75 HN 0.0098 -0.0051 -0.0070 1132 HIS 75 CA 0.0128 -0.0062 -0.0065 1133 HIS 75 HA 0.0139 -0.0067 -0.0062 1134 HIS 75 CB 0.0128 -0.0063 -0.0048 1135 HIS 75 HB1 0.0116 -0.0059 -0.0050 1136 HIS 75 HB2 0.0124 -0.0063 -0.0033 1137 HIS 75 CD2 0.0163 -0.0076 -0.0054 1138 HIS 75 HD2 0.0169 -0.0077 -0.0066 1139 HIS 75 CG 0.0145 -0.0070 -0.0045 1140 HIS 75 NE2 0.0173 -0.0080 -0.0045 1141 HIS 75 HE2 0.0187 -0.0085 -0.0049 1142 HIS 75 ND1 0.0145 -0.0071 -0.0029 1143 HIS 75 HD1 0.0134 -0.0068 -0.0020 1144 HIS 75 CE1 0.0162 -0.0077 -0.0030 1145 HIS 75 HE1 0.0167 -0.0079 -0.0020 1146 HIS 75 C 0.0132 -0.0063 -0.0085 1147 HIS 75 O 0.0120 -0.0058 -0.0093 1148 LEU 76 N 0.0115 -0.0063 -0.0069 1149 LEU 76 HN 0.0123 -0.0061 -0.0069 1150 LEU 76 CA 0.0123 -0.0059 -0.0080 1151 LEU 76 HA 0.0112 -0.0061 -0.0085 1152 LEU 76 CB 0.0133 -0.0053 -0.0098 1153 LEU 76 HB1 0.0138 -0.0050 -0.0107 1154 LEU 76 HB2 0.0146 -0.0050 -0.0093 1155 LEU 76 CG 0.0122 -0.0054 -0.0111 1156 LEU 76 HG 0.0116 -0.0057 -0.0102 1157 LEU 76 CD1 0.0134 -0.0048 -0.0126 1158 LEU 76 HD11 0.0140 -0.0044 -0.0135 1159 LEU 76 HD12 0.0125 -0.0049 -0.0136 1160 LEU 76 HD13 0.0146 -0.0046 -0.0119 1161 LEU 76 CD2 0.0105 -0.0057 -0.0121 1162 LEU 76 HD21 0.0095 -0.0062 -0.0110 1163 LEU 76 HD22 0.0096 -0.0058 -0.0130 1164 LEU 76 HD23 0.0110 -0.0054 -0.0130 1165 LEU 76 C 0.0138 -0.0057 -0.0067 1166 LEU 76 O 0.0152 -0.0054 -0.0060 1167 GLU 77 N 0.0119 -0.0071 -0.0022 1168 GLU 77 HN 0.0115 -0.0077 -0.0022 1169 GLU 77 CA 0.0123 -0.0067 -0.0012 1170 GLU 77 HA 0.0127 -0.0062 -0.0011 1171 GLU 77 CB 0.0120 -0.0074 -0.0001 1172 GLU 77 HB1 0.0124 -0.0070 0.0006 1173 GLU 77 HB2 0.0117 -0.0079 -0.0001 1174 GLU 77 CG 0.0117 -0.0079 -0.0001 1175 GLU 77 HG1 0.0113 -0.0085 -0.0006 1176 GLU 77 HG2 0.0120 -0.0074 -0.0004 1177 GLU 77 CD 0.0116 -0.0082 0.0011 1178 GLU 77 OE1 0.0112 -0.0089 0.0015 1179 GLU 77 OE2 0.0119 -0.0079 0.0015 1180 GLU 77 C 0.0127 -0.0062 -0.0012 1181 GLU 77 O 0.0124 -0.0066 -0.0012 1182 HIS 78 N 0.0216 -0.0035 0.0041 1183 HIS 78 HN 0.0221 -0.0034 0.0047 1184 HIS 78 CA 0.0236 -0.0002 0.0027 1185 HIS 78 HA 0.0224 -0.0004 0.0014 1186 HIS 78 CB 0.0241 0.0028 -0.0003 1187 HIS 78 HB1 0.0263 0.0054 -0.0007 1188 HIS 78 HB2 0.0247 0.0026 0.0008 1189 HIS 78 CD2 0.0188 0.0014 -0.0060 1190 HIS 78 HD2 0.0184 0.0002 -0.0050 1191 HIS 78 CG 0.0212 0.0026 -0.0042 1192 HIS 78 NE2 0.0167 0.0021 -0.0097 1193 HIS 78 HE2 0.0147 0.0015 -0.0116 1194 HIS 78 ND1 0.0206 0.0041 -0.0068 1195 HIS 78 HD1 0.0220 0.0053 -0.0064 1196 HIS 78 CE1 0.0179 0.0037 -0.0100 1197 HIS 78 HE1 0.0168 0.0045 -0.0126 1198 HIS 78 C 0.0269 0.0009 0.0059 1199 HIS 78 O 0.0286 0.0009 0.0082 1200 HIS 79 N 0.0368 0.0067 0.0128 1201 HIS 79 HN 0.0345 0.0062 0.0096 1202 HIS 79 CA 0.0410 0.0085 0.0154 1203 HIS 79 HA 0.0441 0.0098 0.0173 1204 HIS 79 CB 0.0393 0.0063 0.0199 1205 HIS 79 HB1 0.0423 0.0078 0.0211 1206 HIS 79 HB2 0.0358 0.0048 0.0180 1207 HIS 79 CD2 0.0338 0.0011 0.0277 1208 HIS 79 HD2 0.0300 -0.0007 0.0261 1209 HIS 79 CG 0.0381 0.0043 0.0253 1210 HIS 79 NE2 0.0350 0.0004 0.0331 1211 HIS 79 HE2 0.0327 -0.0017 0.0360 1212 HIS 79 ND1 0.0421 0.0057 0.0290 1213 HIS 79 HD1 0.0458 0.0079 0.0284 1214 HIS 79 CE1 0.0401 0.0033 0.0337 1215 HIS 79 HE1 0.0422 0.0035 0.0375 1216 HIS 79 C 0.0428 0.0107 0.0109 1217 HIS 79 O 0.0399 0.0097 0.0083 1218 GLY 80 N 0.0592 0.0239 0.0168 1219 GLY 80 HN 0.0641 0.0276 0.0211 1220 GLY 80 CA 0.0629 0.0277 0.0079 1221 GLY 80 HA1 0.0611 0.0260 0.0111 1222 GLY 80 HA2 0.0708 0.0341 0.0074 1223 GLY 80 C 0.0584 0.0252 -0.0056 1224 GLY 80 O 0.0586 0.0258 -0.0109 1225 GLY 81 N 0.0399 -0.0087 -0.0014 1226 GLY 81 HN 0.0413 -0.0083 -0.0040 1227 GLY 81 CA 0.0335 -0.0064 -0.0074 1228 GLY 81 HA1 0.0341 -0.0048 -0.0151 1229 GLY 81 HA2 0.0357 -0.0069 -0.0066 1230 GLY 81 C 0.0222 -0.0055 -0.0045 1231 GLY 81 O 0.0162 -0.0039 -0.0078 1232 LYS 82 N 0.0200 -0.0044 -0.0074 1233 LYS 82 HN 0.0224 -0.0040 -0.0046 1234 LYS 82 CA 0.0145 -0.0057 -0.0057 1235 LYS 82 HA 0.0119 -0.0061 -0.0094 1236 LYS 82 CB 0.0127 -0.0063 -0.0020 1237 LYS 82 HB1 0.0085 -0.0073 -0.0007 1238 LYS 82 HB2 0.0153 -0.0059 0.0017 1239 LYS 82 CG 0.0130 -0.0061 -0.0050 1240 LYS 82 HG1 0.0171 -0.0051 -0.0067 1241 LYS 82 HG2 0.0102 -0.0066 -0.0085 1242 LYS 82 CD 0.0119 -0.0065 -0.0012 1243 LYS 82 HD1 0.0077 -0.0076 0.0003 1244 LYS 82 HD2 0.0146 -0.0061 0.0025 1245 LYS 82 CE 0.0131 -0.0061 -0.0039 1246 LYS 82 HE1 0.0124 -0.0064 -0.0009 1247 LYS 82 HE2 0.0174 -0.0051 -0.0052 1248 LYS 82 NZ 0.0097 -0.0067 -0.0088 1249 LYS 82 HZ1 0.0056 -0.0076 -0.0078 1250 LYS 82 HZ2 0.0104 -0.0063 -0.0120 1251 LYS 82 HZ3 0.0103 -0.0064 -0.0104 1252 LYS 82 C 0.0136 -0.0061 -0.0026 1253 LYS 82 O 0.0169 -0.0055 0.0006 1254 VAL 83 N 0.0063 -0.0047 -0.0043 1255 VAL 83 HN 0.0056 -0.0050 -0.0050 1256 VAL 83 CA 0.0056 -0.0053 -0.0039 1257 VAL 83 HA 0.0063 -0.0051 -0.0028 1258 VAL 83 CB 0.0055 -0.0049 -0.0056 1259 VAL 83 HB 0.0067 -0.0039 -0.0060 1260 VAL 83 CG1 0.0044 -0.0052 -0.0074 1261 VAL 83 HG11 0.0044 -0.0048 -0.0086 1262 VAL 83 HG12 0.0048 -0.0048 -0.0078 1263 VAL 83 HG13 0.0031 -0.0062 -0.0071 1264 VAL 83 CG2 0.0049 -0.0054 -0.0051 1265 VAL 83 HG21 0.0050 -0.0050 -0.0063 1266 VAL 83 HG22 0.0037 -0.0064 -0.0048 1267 VAL 83 HG23 0.0057 -0.0052 -0.0038 1268 VAL 83 C 0.0040 -0.0066 -0.0033 1269 VAL 83 O 0.0030 -0.0071 -0.0040 1270 SER 84 N 0.0045 -0.0076 -0.0034 1271 SER 84 HN 0.0052 -0.0067 -0.0031 1272 SER 84 CA 0.0035 -0.0079 -0.0028 1273 SER 84 HA 0.0028 -0.0089 -0.0033 1274 SER 84 CB 0.0026 -0.0073 -0.0013 1275 SER 84 HB1 0.0033 -0.0063 -0.0008 1276 SER 84 HB2 0.0022 -0.0075 -0.0012 1277 SER 84 OG 0.0015 -0.0077 -0.0008 1278 SER 84 HG1 0.0009 -0.0074 0.0002 1279 SER 84 C 0.0041 -0.0076 -0.0031 1280 SER 84 O 0.0053 -0.0067 -0.0032 1281 ILE 85 N 0.0032 -0.0039 -0.0069 1282 ILE 85 HN 0.0030 -0.0043 -0.0067 1283 ILE 85 CA 0.0032 -0.0041 -0.0074 1284 ILE 85 HA 0.0035 -0.0037 -0.0077 1285 ILE 85 CB 0.0031 -0.0045 -0.0080 1286 ILE 85 HB 0.0028 -0.0050 -0.0078 1287 ILE 85 CG2 0.0032 -0.0047 -0.0086 1288 ILE 85 HG21 0.0031 -0.0050 -0.0090 1289 ILE 85 HG22 0.0030 -0.0049 -0.0085 1290 ILE 85 HG23 0.0034 -0.0042 -0.0088 1291 ILE 85 CG1 0.0033 -0.0043 -0.0083 1292 ILE 85 HG11 0.0032 -0.0047 -0.0087 1293 ILE 85 HG12 0.0032 -0.0043 -0.0078 1294 ILE 85 CD 0.0037 -0.0037 -0.0085 1295 ILE 85 HD1 0.0038 -0.0035 -0.0086 1296 ILE 85 HD2 0.0037 -0.0037 -0.0090 1297 ILE 85 HD3 0.0038 -0.0033 -0.0082 1298 ILE 85 C 0.0030 -0.0044 -0.0071 1299 ILE 85 O 0.0027 -0.0049 -0.0068 1300 LYS 86 N 0.0070 -0.0042 -0.0074 1301 LYS 86 HN 0.0080 -0.0046 -0.0071 1302 LYS 86 CA 0.0062 -0.0035 -0.0064 1303 LYS 86 HA 0.0052 -0.0032 -0.0068 1304 LYS 86 CB 0.0063 -0.0032 -0.0057 1305 LYS 86 HB1 0.0061 -0.0035 -0.0066 1306 LYS 86 HB2 0.0055 -0.0026 -0.0051 1307 LYS 86 CG 0.0076 -0.0035 -0.0049 1308 LYS 86 HG1 0.0078 -0.0032 -0.0039 1309 LYS 86 HG2 0.0084 -0.0041 -0.0055 1310 LYS 86 CD 0.0076 -0.0033 -0.0045 1311 LYS 86 HD1 0.0075 -0.0037 -0.0054 1312 LYS 86 HD2 0.0067 -0.0028 -0.0040 1313 LYS 86 CE 0.0088 -0.0035 -0.0035 1314 LYS 86 HE1 0.0089 -0.0032 -0.0025 1315 LYS 86 HE2 0.0097 -0.0041 -0.0040 1316 LYS 86 NZ 0.0088 -0.0035 -0.0033 1317 LYS 86 HZ1 0.0078 -0.0031 -0.0036 1318 LYS 86 HZ2 0.0093 -0.0040 -0.0041 1319 LYS 86 HZ3 0.0092 -0.0033 -0.0024 1320 LYS 86 C 0.0065 -0.0032 -0.0053 1321 LYS 86 O 0.0075 -0.0036 -0.0051 1322 GLY 87 N 0.0074 0.0006 -0.0063 1323 GLY 87 HN 0.0062 0.0007 -0.0061 1324 GLY 87 CA 0.0079 0.0010 -0.0056 1325 GLY 87 HA1 0.0070 0.0008 -0.0060 1326 GLY 87 HA2 0.0092 0.0008 -0.0058 1327 GLY 87 C 0.0077 0.0021 -0.0040 1328 GLY 87 O 0.0075 0.0025 -0.0034 1329 HIS 88 N 0.0101 0.0047 -0.0038 1330 HIS 88 HN 0.0103 0.0047 -0.0035 1331 HIS 88 CA 0.0098 0.0071 -0.0005 1332 HIS 88 HA 0.0116 0.0058 0.0000 1333 HIS 88 CB 0.0108 0.0085 0.0033 1334 HIS 88 HB1 0.0089 0.0100 0.0031 1335 HIS 88 HB2 0.0134 0.0066 0.0036 1336 HIS 88 CD2 0.0103 0.0130 0.0100 1337 HIS 88 HD2 0.0088 0.0146 0.0106 1338 HIS 88 CG 0.0114 0.0102 0.0069 1339 HIS 88 NE2 0.0114 0.0136 0.0123 1340 HIS 88 HE2 0.0109 0.0155 0.0147 1341 HIS 88 ND1 0.0132 0.0090 0.0073 1342 HIS 88 HD1 0.0143 0.0069 0.0055 1343 HIS 88 CE1 0.0131 0.0111 0.0106 1344 HIS 88 HE1 0.0141 0.0109 0.0117 1345 HIS 88 C 0.0062 0.0095 -0.0013 1346 HIS 88 O 0.0036 0.0102 -0.0037 1347 HIS 89 N 0.0119 0.0103 0.0009 1348 HIS 89 HN 0.0140 0.0088 0.0038 1349 HIS 89 CA 0.0094 0.0125 -0.0002 1350 HIS 89 HA 0.0103 0.0124 0.0027 1351 HIS 89 CB 0.0053 0.0167 -0.0001 1352 HIS 89 HB1 0.0037 0.0182 -0.0006 1353 HIS 89 HB2 0.0042 0.0170 -0.0032 1354 HIS 89 CD2 0.0035 0.0202 0.0059 1355 HIS 89 HD2 0.0024 0.0206 0.0034 1356 HIS 89 CG 0.0049 0.0185 0.0049 1357 HIS 89 NE2 0.0035 0.0216 0.0110 1358 HIS 89 HE2 0.0024 0.0232 0.0130 1359 HIS 89 ND1 0.0059 0.0187 0.0092 1360 HIS 89 HD1 0.0070 0.0176 0.0096 1361 HIS 89 CE1 0.0050 0.0206 0.0129 1362 HIS 89 HE1 0.0053 0.0213 0.0168 1363 HIS 89 C 0.0098 0.0107 -0.0051 1364 HIS 89 O 0.0078 0.0123 -0.0069 1365 HIS 90 N 0.0086 0.0068 -0.0038 1366 HIS 90 HN 0.0101 0.0059 -0.0028 1367 HIS 90 CA 0.0077 0.0050 -0.0058 1368 HIS 90 HA 0.0090 0.0031 -0.0056 1369 HIS 90 CB 0.0068 0.0057 -0.0062 1370 HIS 90 HB1 0.0059 0.0044 -0.0079 1371 HIS 90 HB2 0.0057 0.0078 -0.0060 1372 HIS 90 CD2 0.0102 0.0065 -0.0023 1373 HIS 90 HD2 0.0103 0.0081 -0.0012 1374 HIS 90 CG 0.0088 0.0052 -0.0046 1375 HIS 90 NE2 0.0118 0.0054 -0.0015 1376 HIS 90 HE2 0.0131 0.0059 0.0001 1377 HIS 90 ND1 0.0094 0.0034 -0.0051 1378 HIS 90 HD1 0.0085 0.0023 -0.0067 1379 HIS 90 CE1 0.0112 0.0035 -0.0032 1380 HIS 90 HE1 0.0121 0.0023 -0.0032 1381 HIS 90 C 0.0060 0.0043 -0.0079 1382 HIS 90 O 0.0049 0.0031 -0.0097 1383 HIS 91 N 0.0045 0.0036 -0.0065 1384 HIS 91 HN 0.0064 0.0048 -0.0051 1385 HIS 91 CA 0.0035 0.0027 -0.0071 1386 HIS 91 HA 0.0014 0.0031 -0.0089 1387 HIS 91 CB 0.0049 0.0050 -0.0064 1388 HIS 91 HB1 0.0040 0.0044 -0.0070 1389 HIS 91 HB2 0.0071 0.0047 -0.0046 1390 HIS 91 CD2 0.0064 0.0115 -0.0062 1391 HIS 91 HD2 0.0086 0.0117 -0.0045 1392 HIS 91 CG 0.0046 0.0087 -0.0072 1393 HIS 91 NE2 0.0049 0.0142 -0.0078 1394 HIS 91 HE2 0.0056 0.0166 -0.0076 1395 HIS 91 ND1 0.0020 0.0096 -0.0094 1396 HIS 91 HD1 0.0003 0.0081 -0.0106 1397 HIS 91 CE1 0.0023 0.0129 -0.0097 1398 HIS 91 HE1 0.0007 0.0144 -0.0113 1399 HIS 91 C 0.0037 -0.0009 -0.0064 1400 HIS 91 O 0.0056 -0.0025 -0.0046 1401 TYR 92 N 0.0026 -0.0031 -0.0053 1402 TYR 92 HN 0.0019 -0.0028 -0.0054 1403 TYR 92 CA 0.0026 -0.0043 -0.0055 1404 TYR 92 HA 0.0033 -0.0046 -0.0053 1405 TYR 92 CB 0.0015 -0.0046 -0.0059 1406 TYR 92 HB1 0.0015 -0.0055 -0.0061 1407 TYR 92 HB2 0.0008 -0.0042 -0.0061 1408 TYR 92 CG 0.0015 -0.0042 -0.0058 1409 TYR 92 CD1 0.0012 -0.0030 -0.0057 1410 TYR 92 HD1 0.0010 -0.0024 -0.0057 1411 TYR 92 CE1 0.0012 -0.0026 -0.0056 1412 TYR 92 HE1 0.0010 -0.0017 -0.0055 1413 TYR 92 CZ 0.0015 -0.0034 -0.0057 1414 TYR 92 OH 0.0015 -0.0030 -0.0056 1415 TYR 92 HH 0.0018 -0.0036 -0.0056 1416 TYR 92 CD2 0.0018 -0.0049 -0.0059 1417 TYR 92 HD2 0.0020 -0.0058 -0.0060 1418 TYR 92 CE2 0.0018 -0.0045 -0.0058 1419 TYR 92 HE2 0.0020 -0.0051 -0.0058 1420 TYR 92 C 0.0028 -0.0051 -0.0056 1421 TYR 92 O 0.0022 -0.0048 -0.0057 1422 ILE 93 N 0.0007 -0.0033 -0.0059 1423 ILE 93 HN 0.0006 -0.0026 -0.0061 1424 ILE 93 CA 0.0003 -0.0031 -0.0064 1425 ILE 93 HA 0.0000 -0.0041 -0.0066 1426 ILE 93 CB -0.0006 -0.0021 -0.0074 1427 ILE 93 HB -0.0003 -0.0010 -0.0072 1428 ILE 93 CG2 -0.0013 -0.0028 -0.0082 1429 ILE 93 HG21 -0.0019 -0.0021 -0.0089 1430 ILE 93 HG22 -0.0016 -0.0039 -0.0083 1431 ILE 93 HG23 -0.0009 -0.0028 -0.0078 1432 ILE 93 CG1 -0.0011 -0.0018 -0.0080 1433 ILE 93 HG11 -0.0015 -0.0029 -0.0084 1434 ILE 93 HG12 -0.0005 -0.0015 -0.0075 1435 ILE 93 CD -0.0018 -0.0006 -0.0090 1436 ILE 93 HD1 -0.0014 0.0004 -0.0086 1437 ILE 93 HD2 -0.0021 -0.0005 -0.0094 1438 ILE 93 HD3 -0.0024 -0.0009 -0.0096 1439 ILE 93 C 0.0011 -0.0024 -0.0056 1440 ILE 93 O 0.0015 -0.0013 -0.0052 1441 SER 94 N -0.0011 -0.0060 -0.0041 1442 SER 94 HN -0.0011 -0.0070 -0.0049 1443 SER 94 CA 0.0000 -0.0058 -0.0024 1444 SER 94 HA -0.0001 -0.0048 -0.0018 1445 SER 94 CB 0.0012 -0.0075 -0.0021 1446 SER 94 HB1 0.0015 -0.0085 -0.0026 1447 SER 94 HB2 0.0010 -0.0079 -0.0027 1448 SER 94 OG 0.0023 -0.0072 -0.0004 1449 SER 94 HG1 0.0026 -0.0071 0.0001 1450 SER 94 C 0.0002 -0.0054 -0.0019 1451 SER 94 O 0.0001 -0.0063 -0.0026 1452 ALA 95 N -0.0030 -0.0057 0.0010 1453 ALA 95 HN -0.0027 -0.0047 0.0019 1454 ALA 95 CA -0.0027 -0.0044 0.0021 1455 ALA 95 HA -0.0034 -0.0053 0.0008 1456 ALA 95 CB -0.0041 -0.0010 0.0028 1457 ALA 95 HB1 -0.0033 0.0000 0.0042 1458 ALA 95 HB2 -0.0039 0.0001 0.0037 1459 ALA 95 HB3 -0.0061 -0.0004 0.0012 1460 ALA 95 C 0.0001 -0.0050 0.0044 1461 ALA 95 O 0.0014 -0.0046 0.0059 1462 ASP 96 N -0.0022 -0.0062 0.0079 1463 ASP 96 HN -0.0028 -0.0069 0.0065 1464 ASP 96 CA -0.0005 -0.0069 0.0100 1465 ASP 96 HA 0.0003 -0.0072 0.0111 1466 ASP 96 CB 0.0000 -0.0093 0.0093 1467 ASP 96 HB1 0.0013 -0.0099 0.0109 1468 ASP 96 HB2 -0.0009 -0.0090 0.0081 1469 ASP 96 CG 0.0002 -0.0117 0.0081 1470 ASP 96 OD1 0.0004 -0.0137 0.0072 1471 ASP 96 OD2 0.0001 -0.0115 0.0080 1472 ASP 96 C -0.0006 -0.0045 0.0113 1473 ASP 96 O -0.0020 -0.0027 0.0104 1474 HIS 97 N -0.0010 -0.0139 0.0192 1475 HIS 97 HN 0.0023 -0.0187 0.0228 1476 HIS 97 CA 0.0007 -0.0043 0.0174 1477 HIS 97 HA 0.0020 0.0006 0.0168 1478 HIS 97 CB 0.0082 -0.0029 0.0218 1479 HIS 97 HB1 0.0094 0.0047 0.0203 1480 HIS 97 HB2 0.0069 -0.0076 0.0223 1481 HIS 97 CD2 0.0218 0.0008 0.0293 1482 HIS 97 HD2 0.0217 0.0079 0.0270 1483 HIS 97 CG 0.0162 -0.0049 0.0274 1484 HIS 97 NE2 0.0281 -0.0046 0.0348 1485 HIS 97 HE2 0.0325 -0.0032 0.0371 1486 HIS 97 ND1 0.0189 -0.0136 0.0316 1487 HIS 97 HD1 0.0160 -0.0190 0.0314 1488 HIS 97 CE1 0.0259 -0.0132 0.0360 1489 HIS 97 HE1 0.0297 -0.0190 0.0401 1490 HIS 97 C -0.0069 -0.0013 0.0118 1491 HIS 97 O -0.0075 0.0072 0.0089 1492 HIS 98 N -0.0104 -0.0014 0.0117 1493 HIS 98 HN -0.0105 -0.0038 0.0131 1494 HIS 98 CA -0.0134 -0.0007 0.0093 1495 HIS 98 HA -0.0137 0.0015 0.0078 1496 HIS 98 CB -0.0134 -0.0001 0.0090 1497 HIS 98 HB1 -0.0130 -0.0023 0.0106 1498 HIS 98 HB2 -0.0112 0.0021 0.0090 1499 HIS 98 CD2 -0.0186 -0.0009 0.0060 1500 HIS 98 HD2 -0.0185 -0.0030 0.0073 1501 HIS 98 CG -0.0164 0.0006 0.0065 1502 HIS 98 NE2 -0.0209 0.0008 0.0034 1503 HIS 98 HE2 -0.0228 0.0003 0.0024 1504 HIS 98 ND1 -0.0174 0.0031 0.0043 1505 HIS 98 HD1 -0.0164 0.0047 0.0041 1506 HIS 98 CE1 -0.0201 0.0032 0.0024 1507 HIS 98 HE1 -0.0215 0.0050 0.0004 1508 HIS 98 C -0.0164 -0.0037 0.0091 1509 HIS 98 O -0.0161 -0.0065 0.0110 1510 GLY 99 N -0.0122 0.0000 0.0057 1511 GLY 99 HN -0.0121 0.0003 0.0051 1512 GLY 99 CA -0.0123 -0.0008 0.0043 1513 GLY 99 HA1 -0.0126 -0.0020 0.0051 1514 GLY 99 HA2 -0.0123 -0.0013 0.0029 1515 GLY 99 C -0.0119 0.0007 0.0036 1516 GLY 99 O -0.0116 0.0026 0.0038 1517 HIS 100 N -0.0051 0.0031 -0.0003 1518 HIS 100 HN -0.0047 0.0026 -0.0004 1519 HIS 100 CA -0.0065 0.0021 -0.0013 1520 HIS 100 HA -0.0078 0.0031 -0.0014 1521 HIS 100 CB -0.0070 0.0004 -0.0022 1522 HIS 100 HB1 -0.0081 -0.0004 -0.0029 1523 HIS 100 HB2 -0.0057 -0.0007 -0.0021 1524 HIS 100 CD2 -0.0095 0.0023 -0.0024 1525 HIS 100 HD2 -0.0103 0.0033 -0.0024 1526 HIS 100 CG -0.0079 0.0010 -0.0023 1527 HIS 100 NE2 -0.0098 0.0021 -0.0026 1528 HIS 100 HE2 -0.0108 0.0029 -0.0028 1529 HIS 100 ND1 -0.0072 -0.0000 -0.0024 1530 HIS 100 HD1 -0.0061 -0.0011 -0.0024 1531 HIS 100 CE1 -0.0084 0.0007 -0.0026 1532 HIS 100 HE1 -0.0083 0.0002 -0.0028 1533 HIS 100 C -0.0058 0.0012 -0.0014 1534 HIS 100 O -0.0043 0.0002 -0.0012 1535 VAL 101 N -0.0052 0.0013 -0.0017 1536 VAL 101 HN -0.0062 0.0020 -0.0021 1537 VAL 101 CA -0.0054 0.0010 -0.0021 1538 VAL 101 HA -0.0045 0.0012 -0.0011 1539 VAL 101 CB -0.0071 0.0024 -0.0025 1540 VAL 101 HB -0.0080 0.0024 -0.0034 1541 VAL 101 CG1 -0.0076 0.0022 -0.0031 1542 VAL 101 HG11 -0.0077 0.0010 -0.0041 1543 VAL 101 HG12 -0.0067 0.0024 -0.0023 1544 VAL 101 HG13 -0.0088 0.0033 -0.0034 1545 VAL 101 CG2 -0.0070 0.0042 -0.0011 1546 VAL 101 HG21 -0.0060 0.0043 -0.0002 1547 VAL 101 HG22 -0.0067 0.0045 -0.0007 1548 VAL 101 HG23 -0.0081 0.0053 -0.0014 1549 VAL 101 C -0.0053 -0.0008 -0.0034 1550 VAL 101 O -0.0057 -0.0017 -0.0043 1551 SER 102 N -0.0003 -0.0032 -0.0034 1552 SER 102 HN 0.0001 -0.0021 -0.0022 1553 SER 102 CA -0.0001 -0.0056 -0.0046 1554 SER 102 HA -0.0010 -0.0064 -0.0061 1555 SER 102 CB 0.0020 -0.0076 -0.0033 1556 SER 102 HB1 0.0024 -0.0078 -0.0029 1557 SER 102 HB2 0.0021 -0.0096 -0.0044 1558 SER 102 OG 0.0034 -0.0070 -0.0013 1559 SER 102 HG1 0.0038 -0.0060 -0.0002 1560 SER 102 C -0.0007 -0.0053 -0.0051 1561 SER 102 O -0.0021 -0.0034 -0.0055 1562 THR 103 N 0.0023 -0.0068 -0.0051 1563 THR 103 HN 0.0026 -0.0082 -0.0045 1564 THR 103 CA 0.0021 -0.0058 -0.0052 1565 THR 103 HA 0.0019 -0.0042 -0.0047 1566 THR 103 CB 0.0016 -0.0060 -0.0074 1567 THR 103 HB 0.0013 -0.0053 -0.0085 1568 THR 103 OG1 0.0014 -0.0049 -0.0075 1569 THR 103 HG1 0.0011 -0.0047 -0.0089 1570 THR 103 CG2 0.0019 -0.0083 -0.0081 1571 THR 103 HG21 0.0016 -0.0083 -0.0097 1572 THR 103 HG22 0.0021 -0.0092 -0.0080 1573 THR 103 HG23 0.0022 -0.0090 -0.0071 1574 THR 103 C 0.0026 -0.0069 -0.0036 1575 THR 103 O 0.0030 -0.0087 -0.0032 1576 LYS 104 N 0.0051 -0.0077 -0.0050 1577 LYS 104 HN 0.0046 -0.0072 -0.0051 1578 LYS 104 CA 0.0048 -0.0075 -0.0049 1579 LYS 104 HA 0.0054 -0.0078 -0.0054 1580 LYS 104 CB 0.0043 -0.0081 -0.0036 1581 LYS 104 HB1 0.0049 -0.0090 -0.0033 1582 LYS 104 HB2 0.0042 -0.0080 -0.0036 1583 LYS 104 CG 0.0033 -0.0078 -0.0028 1584 LYS 104 HG1 0.0027 -0.0070 -0.0029 1585 LYS 104 HG2 0.0034 -0.0078 -0.0029 1586 LYS 104 CD 0.0031 -0.0086 -0.0015 1587 LYS 104 HD1 0.0036 -0.0093 -0.0013 1588 LYS 104 HD2 0.0031 -0.0087 -0.0014 1589 LYS 104 CE 0.0020 -0.0082 -0.0006 1590 LYS 104 HE1 0.0014 -0.0074 -0.0008 1591 LYS 104 HE2 0.0019 -0.0081 -0.0007 1592 LYS 104 NZ 0.0017 -0.0089 0.0006 1593 LYS 104 HZ1 0.0009 -0.0085 0.0010 1594 LYS 104 HZ2 0.0020 -0.0093 0.0006 1595 LYS 104 HZ3 0.0019 -0.0095 0.0010 1596 LYS 104 C 0.0040 -0.0064 -0.0054 1597 LYS 104 O 0.0036 -0.0057 -0.0056 1598 GLU 105 N 0.0053 0.0027 -0.0072 1599 GLU 105 HN 0.0065 0.0037 -0.0077 1600 GLU 105 CA 0.0020 0.0052 -0.0103 1601 GLU 105 HA 0.0025 0.0051 -0.0100 1602 GLU 105 CB 0.0032 0.0099 -0.0138 1603 GLU 105 HB1 0.0026 0.0101 -0.0141 1604 GLU 105 HB2 0.0074 0.0110 -0.0137 1605 GLU 105 CG -0.0002 0.0127 -0.0171 1606 GLU 105 HG1 0.0002 0.0125 -0.0168 1607 GLU 105 HG2 -0.0044 0.0119 -0.0175 1608 GLU 105 CD 0.0015 0.0173 -0.0205 1609 GLU 105 OE1 0.0048 0.0195 -0.0215 1610 GLU 105 OE2 -0.0005 0.0186 -0.0221 1611 GLU 105 C -0.0037 0.0034 -0.0103 1612 GLU 105 O -0.0051 0.0023 -0.0097 1613 HIS 106 N 0.0020 0.0035 -0.0114 1614 HIS 106 HN 0.0023 0.0038 -0.0116 1615 HIS 106 CA -0.0034 0.0013 -0.0121 1616 HIS 106 HA -0.0060 0.0012 -0.0141 1617 HIS 106 CB -0.0048 0.0027 -0.0158 1618 HIS 106 HB1 -0.0092 0.0009 -0.0163 1619 HIS 106 HB2 -0.0025 0.0029 -0.0141 1620 HIS 106 CD2 -0.0003 0.0095 -0.0235 1621 HIS 106 HD2 0.0026 0.0102 -0.0223 1622 HIS 106 CG -0.0038 0.0063 -0.0210 1623 HIS 106 NE2 -0.0007 0.0120 -0.0281 1624 HIS 106 HE2 0.0020 0.0146 -0.0303 1625 HIS 106 ND1 -0.0067 0.0066 -0.0240 1626 HIS 106 HD1 -0.0096 0.0047 -0.0232 1627 HIS 106 CE1 -0.0047 0.0101 -0.0282 1628 HIS 106 HE1 -0.0058 0.0114 -0.0313 1629 HIS 106 C -0.0055 -0.0026 -0.0072 1630 HIS 106 O -0.0027 -0.0035 -0.0033 1631 HIS 107 N -0.0003 -0.0037 -0.0048 1632 HIS 107 HN -0.0010 -0.0028 -0.0055 1633 HIS 107 CA -0.0010 -0.0047 -0.0036 1634 HIS 107 HA 0.0001 -0.0053 -0.0034 1635 HIS 107 CB -0.0025 -0.0039 -0.0039 1636 HIS 107 HB1 -0.0035 -0.0032 -0.0042 1637 HIS 107 HB2 -0.0019 -0.0033 -0.0046 1638 HIS 107 CD2 -0.0051 -0.0052 -0.0018 1639 HIS 107 HD2 -0.0060 -0.0048 -0.0019 1640 HIS 107 CG -0.0034 -0.0049 -0.0027 1641 HIS 107 NE2 -0.0053 -0.0061 -0.0009 1642 HIS 107 HE2 -0.0063 -0.0067 -0.0000 1643 HIS 107 ND1 -0.0026 -0.0056 -0.0022 1644 HIS 107 HD1 -0.0015 -0.0056 -0.0026 1645 HIS 107 CE1 -0.0038 -0.0063 -0.0011 1646 HIS 107 HE1 -0.0036 -0.0071 -0.0005 1647 HIS 107 C -0.0017 -0.0058 -0.0023 1648 HIS 107 O -0.0026 -0.0055 -0.0024 1649 ASP 108 N -0.0024 -0.0062 -0.0026 1650 ASP 108 HN -0.0020 -0.0063 -0.0027 1651 ASP 108 CA -0.0026 -0.0069 -0.0015 1652 ASP 108 HA -0.0034 -0.0066 -0.0013 1653 ASP 108 CB -0.0014 -0.0075 -0.0015 1654 ASP 108 HB1 -0.0007 -0.0079 -0.0015 1655 ASP 108 HB2 -0.0012 -0.0071 -0.0022 1656 ASP 108 CG -0.0016 -0.0082 -0.0005 1657 ASP 108 OD1 -0.0025 -0.0083 0.0003 1658 ASP 108 OD2 -0.0007 -0.0086 -0.0006 1659 ASP 108 C -0.0029 -0.0074 -0.0007 1660 ASP 108 O -0.0027 -0.0073 -0.0009 1661 HIS 109 N -0.0014 -0.0074 0.0009 1662 HIS 109 HN -0.0015 -0.0077 0.0013 1663 HIS 109 CA -0.0014 -0.0078 0.0013 1664 HIS 109 HA -0.0015 -0.0074 0.0010 1665 HIS 109 CB -0.0021 -0.0080 0.0023 1666 HIS 109 HB1 -0.0021 -0.0085 0.0027 1667 HIS 109 HB2 -0.0022 -0.0083 0.0026 1668 HIS 109 CD2 -0.0036 -0.0067 0.0028 1669 HIS 109 HD2 -0.0037 -0.0068 0.0031 1670 HIS 109 CG -0.0029 -0.0071 0.0024 1671 HIS 109 NE2 -0.0041 -0.0059 0.0028 1672 HIS 109 HE2 -0.0047 -0.0054 0.0030 1673 HIS 109 ND1 -0.0030 -0.0066 0.0021 1674 HIS 109 HD1 -0.0026 -0.0068 0.0018 1675 HIS 109 CE1 -0.0038 -0.0059 0.0023 1676 HIS 109 HE1 -0.0040 -0.0054 0.0022 1677 HIS 109 C -0.0006 -0.0087 0.0012 1678 HIS 109 O -0.0005 -0.0089 0.0012 1679 ASP 110 N 0.0010 -0.0071 0.0031 1680 ASP 110 HN 0.0020 -0.0080 0.0029 1681 ASP 110 CA 0.0015 -0.0078 0.0025 1682 ASP 110 HA 0.0017 -0.0071 0.0040 1683 ASP 110 CB 0.0034 -0.0097 0.0018 1684 ASP 110 HB1 0.0036 -0.0102 0.0012 1685 ASP 110 HB2 0.0032 -0.0104 0.0004 1686 ASP 110 CG 0.0053 -0.0102 0.0036 1687 ASP 110 OD1 0.0054 -0.0091 0.0055 1688 ASP 110 OD2 0.0069 -0.0118 0.0029 1689 ASP 110 C -0.0001 -0.0076 0.0006 1690 ASP 110 O -0.0003 -0.0076 0.0003 1691 THR 111 N -0.0005 -0.0076 -0.0017 1692 THR 111 HN -0.0009 -0.0074 -0.0016 1693 THR 111 CA -0.0005 -0.0073 -0.0023 1694 THR 111 HA -0.0001 -0.0076 -0.0024 1695 THR 111 CB -0.0004 -0.0070 -0.0030 1696 THR 111 HB -0.0002 -0.0069 -0.0035 1697 THR 111 OG1 -0.0009 -0.0065 -0.0031 1698 THR 111 HG1 -0.0012 -0.0063 -0.0032 1699 THR 111 CG2 0.0001 -0.0074 -0.0031 1700 THR 111 HG21 -0.0000 -0.0075 -0.0026 1701 THR 111 HG22 0.0002 -0.0072 -0.0036 1702 THR 111 HG23 0.0006 -0.0078 -0.0031 1703 THR 111 C -0.0010 -0.0069 -0.0023 1704 THR 111 O -0.0011 -0.0066 -0.0028 1705 THR 112 N -0.0023 -0.0074 -0.0009 1706 THR 112 HN -0.0024 -0.0072 -0.0011 1707 THR 112 CA -0.0015 -0.0072 -0.0011 1708 THR 112 HA -0.0016 -0.0073 -0.0008 1709 THR 112 CB -0.0006 -0.0073 -0.0008 1710 THR 112 HB -0.0005 -0.0071 -0.0011 1711 THR 112 OG1 -0.0005 -0.0079 -0.0001 1712 THR 112 HG1 -0.0010 -0.0080 0.0001 1713 THR 112 CG2 0.0002 -0.0071 -0.0010 1714 THR 112 HG21 0.0001 -0.0073 -0.0008 1715 THR 112 HG22 0.0008 -0.0073 -0.0008 1716 THR 112 HG23 0.0003 -0.0067 -0.0016 1717 THR 112 C -0.0015 -0.0066 -0.0019 1718 THR 112 O -0.0016 -0.0063 -0.0023 1719 PHE 113 N -0.0023 -0.0027 -0.0019 1720 PHE 113 HN -0.0028 -0.0031 -0.0021 1721 PHE 113 CA -0.0026 -0.0015 -0.0019 1722 PHE 113 HA -0.0020 -0.0010 -0.0017 1723 PHE 113 CB -0.0039 -0.0014 -0.0020 1724 PHE 113 HB1 -0.0041 -0.0005 -0.0020 1725 PHE 113 HB2 -0.0046 -0.0017 -0.0022 1726 PHE 113 CG -0.0038 -0.0022 -0.0021 1727 PHE 113 CD1 -0.0047 -0.0031 -0.0024 1728 PHE 113 HD1 -0.0054 -0.0032 -0.0025 1729 PHE 113 CE1 -0.0047 -0.0039 -0.0025 1730 PHE 113 HE1 -0.0053 -0.0046 -0.0026 1731 PHE 113 CZ -0.0038 -0.0038 -0.0023 1732 PHE 113 HZ -0.0037 -0.0044 -0.0024 1733 PHE 113 CD2 -0.0029 -0.0022 -0.0020 1734 PHE 113 HD2 -0.0023 -0.0015 -0.0018 1735 PHE 113 CE2 -0.0029 -0.0029 -0.0021 1736 PHE 113 HE2 -0.0022 -0.0029 -0.0019 1737 PHE 113 C -0.0028 -0.0008 -0.0018 1738 PHE 113 O -0.0028 -0.0013 -0.0019 1739 GLU 114 N -0.0039 0.0019 -0.0012 1740 GLU 114 HN -0.0047 0.0050 -0.0016 1741 GLU 114 CA -0.0029 -0.0007 -0.0015 1742 GLU 114 HA -0.0027 -0.0039 -0.0001 1743 GLU 114 CB -0.0003 -0.0007 -0.0057 1744 GLU 114 HB1 0.0004 -0.0027 -0.0059 1745 GLU 114 HB2 -0.0005 0.0027 -0.0071 1746 GLU 114 CG 0.0017 -0.0024 -0.0081 1747 GLU 114 HG1 0.0012 -0.0003 -0.0084 1748 GLU 114 HG2 0.0018 -0.0056 -0.0066 1749 GLU 114 CD 0.0043 -0.0029 -0.0121 1750 GLU 114 OE1 0.0062 -0.0050 -0.0140 1751 GLU 114 OE2 0.0045 -0.0012 -0.0132 1752 GLU 114 C -0.0047 0.0011 0.0005 1753 GLU 114 O -0.0063 0.0048 0.0012 1754 GLU 115 N -0.0072 0.0029 0.0025 1755 GLU 115 HN -0.0065 0.0013 0.0024 1756 GLU 115 CA -0.0058 0.0010 0.0035 1757 GLU 115 HA -0.0054 0.0026 0.0061 1758 GLU 115 CB -0.0034 -0.0029 0.0043 1759 GLU 115 HB1 -0.0024 -0.0047 0.0046 1760 GLU 115 HB2 -0.0038 -0.0045 0.0018 1761 GLU 115 CG -0.0018 -0.0026 0.0080 1762 GLU 115 HG1 -0.0027 -0.0009 0.0080 1763 GLU 115 HG2 -0.0013 -0.0013 0.0105 1764 GLU 115 CD 0.0004 -0.0065 0.0087 1765 GLU 115 OE1 0.0016 -0.0091 0.0085 1766 GLU 115 OE2 0.0011 -0.0071 0.0095 1767 GLU 115 C -0.0069 0.0005 0.0006 1768 GLU 115 O -0.0084 0.0004 -0.0028 1769 ILE 116 N -0.0093 0.0002 0.0051 1770 ILE 116 HN -0.0084 0.0005 0.0093 1771 ILE 116 CA -0.0100 0.0003 0.0022 1772 ILE 116 HA -0.0112 0.0005 -0.0022 1773 ILE 116 CB -0.0116 0.0049 0.0045 1774 ILE 116 HB -0.0105 0.0049 0.0091 1775 ILE 116 CG2 -0.0142 0.0100 0.0031 1776 ILE 116 HG21 -0.0139 0.0101 0.0045 1777 ILE 116 HG22 -0.0153 0.0135 0.0051 1778 ILE 116 HG23 -0.0154 0.0102 -0.0015 1779 ILE 116 CG1 -0.0120 0.0046 0.0022 1780 ILE 116 HG11 -0.0131 0.0046 -0.0024 1781 ILE 116 HG12 -0.0101 0.0009 0.0031 1782 ILE 116 CD -0.0134 0.0091 0.0046 1783 ILE 116 HD1 -0.0123 0.0092 0.0093 1784 ILE 116 HD2 -0.0136 0.0087 0.0029 1785 ILE 116 HD3 -0.0154 0.0130 0.0036 1786 ILE 116 C -0.0075 -0.0050 0.0028 1787 ILE 116 O -0.0056 -0.0067 0.0074 1788 ILE 117 N -0.0116 -0.0217 -0.0016 1789 ILE 117 HN -0.0181 -0.0211 -0.0064 1790 ILE 117 CA -0.0042 -0.0304 -0.0040 1791 ILE 117 HA 0.0019 -0.0299 0.0016 1792 ILE 117 CB -0.0070 -0.0351 -0.0111 1793 ILE 117 HB -0.0140 -0.0347 -0.0166 1794 ILE 117 CG2 0.0001 -0.0449 -0.0149 1795 ILE 117 HG21 -0.0019 -0.0480 -0.0196 1796 ILE 117 HG22 0.0001 -0.0484 -0.0183 1797 ILE 117 HG23 0.0073 -0.0458 -0.0096 1798 ILE 117 CG1 -0.0077 -0.0308 -0.0074 1799 ILE 117 HG11 -0.0027 -0.0281 -0.0004 1800 ILE 117 HG12 -0.0057 -0.0360 -0.0108 1801 ILE 117 CD -0.0177 -0.0237 -0.0087 1802 ILE 117 HD1 -0.0200 -0.0181 -0.0051 1803 ILE 117 HD2 -0.0227 -0.0265 -0.0157 1804 ILE 117 HD3 -0.0176 -0.0214 -0.0063 1805 ILE 117 C -0.0012 -0.0355 -0.0066 1806 ILE 117 O -0.0071 -0.0353 -0.0114 1807 ILE 118 N 0.0032 -0.0445 -0.0208 1808 ILE 118 HN 0.0123 -0.0480 -0.0131 1809 ILE 118 CA 0.0193 -0.0843 -0.0589 1810 ILE 118 HA -0.0040 -0.0412 -0.0262 1811 ILE 118 CB 0.0164 -0.0438 -0.0006 1812 ILE 118 HB 0.0284 -0.0517 0.0047 1813 ILE 118 CG2 0.0198 -0.0467 -0.0000 1814 ILE 118 HG21 0.0263 -0.0433 0.0145 1815 ILE 118 HG22 0.0276 -0.0591 -0.0080 1816 ILE 118 HG23 0.0083 -0.0398 -0.0061 1817 ILE 118 CG1 0.0081 -0.0271 0.0131 1818 ILE 118 HG11 0.0156 -0.0251 0.0272 1819 ILE 118 HG12 0.0078 -0.0261 0.0143 1820 ILE 118 CD -0.0093 -0.0143 0.0078 1821 ILE 118 HD1 -0.0144 -0.0027 0.0182 1822 ILE 118 HD2 -0.0096 -0.0143 0.0074 1823 ILE 118 HD3 -0.0173 -0.0157 -0.0060 1824 ILE 118 C 0.0167 -0.0648 -0.0325 1825 ILE 118 OT1 0.0287 -0.0748 -0.0307 1826 ILE 118 OT2 0.0146 -0.0641 -0.0345