1 ASN 3 N 0.0025 -0.0025 -0.0110 2 ASN 3 HN 0.0000 -0.0016 -0.0131 3 ASN 3 CA 0.0084 -0.0038 -0.0072 4 ASN 3 HA 0.0089 -0.0060 -0.0038 5 ASN 3 CB 0.0079 -0.0056 -0.0046 6 ASN 3 HB1 0.0124 -0.0066 -0.0018 7 ASN 3 HB2 0.0070 -0.0035 -0.0081 8 ASN 3 CG 0.0021 -0.0093 -0.0010 9 ASN 3 OD1 0.0029 -0.0125 0.0040 10 ASN 3 ND2 -0.0038 -0.0089 -0.0034 11 ASN 3 HD21 -0.0077 -0.0113 -0.0011 12 ASN 3 HD22 -0.0045 -0.0062 -0.0077 13 ASN 3 C 0.0148 -0.0005 -0.0101 14 ASN 3 O 0.0148 0.0029 -0.0152 15 ARG 4 N 0.0181 -0.0005 -0.0119 16 ARG 4 HN 0.0180 0.0021 -0.0097 17 ARG 4 CA 0.0186 -0.0040 -0.0147 18 ARG 4 HA 0.0180 -0.0064 -0.0172 19 ARG 4 CB 0.0150 -0.0026 -0.0158 20 ARG 4 HB1 0.0151 -0.0054 -0.0182 21 ARG 4 HB2 0.0161 -0.0006 -0.0133 22 ARG 4 CG 0.0100 -0.0002 -0.0168 23 ARG 4 HG1 0.0078 0.0005 -0.0176 24 ARG 4 HG2 0.0098 0.0028 -0.0142 25 ARG 4 CD 0.0080 -0.0024 -0.0201 26 ARG 4 HD1 0.0099 -0.0030 -0.0193 27 ARG 4 HD2 0.0080 -0.0054 -0.0227 28 ARG 4 NE 0.0030 0.0003 -0.0207 29 ARG 4 HE 0.0015 0.0024 -0.0198 30 ARG 4 CZ 0.0005 0.0004 -0.0222 31 ARG 4 NH1 0.0022 -0.0020 -0.0233 32 ARG 4 HH11 0.0056 -0.0035 -0.0226 33 ARG 4 HH12 0.0004 -0.0015 -0.0240 34 ARG 4 NH2 -0.0038 0.0031 -0.0226 35 ARG 4 HH21 -0.0056 0.0032 -0.0237 36 ARG 4 HH22 -0.0050 0.0050 -0.0216 37 ARG 4 C 0.0234 -0.0058 -0.0133 38 ARG 4 O 0.0247 -0.0092 -0.0156 39 ALA 5 N 0.0117 -0.0017 -0.0005 40 ALA 5 HN 0.0096 -0.0025 0.0008 41 ALA 5 CA 0.0141 -0.0017 0.0000 42 ALA 5 HA 0.0166 -0.0010 -0.0010 43 ALA 5 CB 0.0148 -0.0034 0.0036 44 ALA 5 HB1 0.0165 -0.0034 0.0040 45 ALA 5 HB2 0.0161 -0.0038 0.0048 46 ALA 5 HB3 0.0123 -0.0042 0.0048 47 ALA 5 C 0.0124 -0.0011 -0.0017 48 ALA 5 O 0.0092 -0.0014 -0.0018 49 PHE 6 N 0.0083 -0.0032 -0.0051 50 PHE 6 HN 0.0124 -0.0028 -0.0045 51 PHE 6 CA 0.0049 -0.0009 -0.0084 52 PHE 6 HA 0.0005 -0.0019 -0.0084 53 PHE 6 CB 0.0063 0.0038 -0.0129 54 PHE 6 HB1 0.0047 0.0057 -0.0153 55 PHE 6 HB2 0.0110 0.0048 -0.0128 56 PHE 6 CG 0.0036 0.0045 -0.0143 57 PHE 6 CD1 0.0061 0.0037 -0.0129 58 PHE 6 HD1 0.0102 0.0027 -0.0108 59 PHE 6 CE1 0.0033 0.0040 -0.0139 60 PHE 6 HE1 0.0052 0.0034 -0.0127 61 PHE 6 CZ -0.0021 0.0052 -0.0165 62 PHE 6 HZ -0.0043 0.0054 -0.0172 63 PHE 6 CD2 -0.0017 0.0058 -0.0170 64 PHE 6 HD2 -0.0036 0.0064 -0.0181 65 PHE 6 CE2 -0.0046 0.0061 -0.0180 66 PHE 6 HE2 -0.0087 0.0070 -0.0200 67 PHE 6 C 0.0052 -0.0014 -0.0077 68 PHE 6 O 0.0095 -0.0022 -0.0059 69 LYS 7 N -0.0022 0.0045 -0.0059 70 LYS 7 HN -0.0070 0.0059 -0.0079 71 LYS 7 CA -0.0024 0.0032 -0.0042 72 LYS 7 HA 0.0031 0.0020 -0.0025 73 LYS 7 CB -0.0082 -0.0009 0.0008 74 LYS 7 HB1 -0.0062 -0.0040 0.0050 75 LYS 7 HB2 -0.0079 -0.0016 0.0018 76 LYS 7 CG -0.0164 0.0000 -0.0007 77 LYS 7 HG1 -0.0178 0.0036 -0.0054 78 LYS 7 HG2 -0.0169 -0.0003 -0.0003 79 LYS 7 CD -0.0222 -0.0033 0.0034 80 LYS 7 HD1 -0.0216 -0.0069 0.0081 81 LYS 7 HD2 -0.0206 -0.0034 0.0036 82 LYS 7 CE -0.0305 -0.0018 0.0011 83 LYS 7 HE1 -0.0339 -0.0040 0.0037 84 LYS 7 HE2 -0.0308 0.0019 -0.0037 85 LYS 7 NZ -0.0339 -0.0024 0.0017 86 LYS 7 HZ1 -0.0355 -0.0058 0.0061 87 LYS 7 HZ2 -0.0301 -0.0014 0.0005 88 LYS 7 HZ3 -0.0387 -0.0003 -0.0012 89 LYS 7 C -0.0039 0.0073 -0.0095 90 LYS 7 O -0.0073 0.0107 -0.0141 91 SER 8 N -0.0041 0.0020 -0.0063 92 SER 8 HN -0.0035 0.0023 -0.0052 93 SER 8 CA -0.0029 0.0011 -0.0072 94 SER 8 HA -0.0037 0.0010 -0.0080 95 SER 8 CB -0.0018 0.0002 -0.0084 96 SER 8 HB1 -0.0028 0.0001 -0.0094 97 SER 8 HB2 -0.0009 -0.0005 -0.0092 98 SER 8 OG -0.0007 0.0003 -0.0075 99 SER 8 HG1 -0.0015 0.0008 -0.0069 100 SER 8 C -0.0015 0.0013 -0.0059 101 SER 8 O -0.0012 0.0019 -0.0043 102 HIS 9 N 0.0039 0.0027 0.0014 103 HIS 9 HN 0.0040 0.0016 0.0035 104 HIS 9 CA 0.0045 0.0021 0.0034 105 HIS 9 HA 0.0056 0.0012 0.0069 106 HIS 9 CB 0.0009 -0.0011 0.0026 107 HIS 9 HB1 0.0013 -0.0015 0.0042 108 HIS 9 HB2 -0.0006 -0.0005 -0.0010 109 HIS 9 CD2 -0.0043 -0.0064 0.0027 110 HIS 9 HD2 -0.0059 -0.0061 -0.0007 111 HIS 9 CG -0.0013 -0.0044 0.0045 112 HIS 9 NE2 -0.0050 -0.0091 0.0061 113 HIS 9 HE2 -0.0069 -0.0110 0.0060 114 HIS 9 ND1 -0.0001 -0.0058 0.0090 115 HIS 9 HD1 0.0020 -0.0048 0.0112 116 HIS 9 CE1 -0.0024 -0.0086 0.0098 117 HIS 9 HE1 -0.0022 -0.0103 0.0131 118 HIS 9 C 0.0072 0.0054 0.0026 119 HIS 9 O 0.0104 0.0078 0.0040 120 HIS 10 N 0.0342 0.0289 -0.0348 121 HIS 10 HN 0.0481 0.0223 -0.0359 122 HIS 10 CA 0.0180 0.0121 -0.0219 123 HIS 10 HA 0.0003 0.0216 -0.0211 124 HIS 10 CB 0.0122 -0.0061 -0.0114 125 HIS 10 HB1 -0.0011 -0.0181 -0.0016 126 HIS 10 HB2 0.0301 -0.0174 -0.0113 127 HIS 10 CD2 0.0093 0.0040 -0.0153 128 HIS 10 HD2 0.0277 -0.0038 -0.0172 129 HIS 10 CG 0.0004 0.0051 -0.0132 130 HIS 10 NE2 -0.0107 0.0139 -0.0141 131 HIS 10 HE2 -0.0108 0.0153 -0.0147 132 HIS 10 ND1 -0.0245 0.0154 -0.0106 133 HIS 10 HD1 -0.0359 0.0182 -0.0086 134 HIS 10 CE1 -0.0306 0.0205 -0.0113 135 HIS 10 HE1 -0.0493 0.0287 -0.0095 136 HIS 10 C 0.0310 -0.0030 -0.0186 137 HIS 10 O 0.0217 -0.0204 -0.0073 138 GLY 11 N -0.0005 0.0020 0.0050 139 GLY 11 HN 0.0004 0.0009 0.0004 140 GLY 11 CA -0.0049 0.0028 0.0106 141 GLY 11 HA1 -0.0054 0.0040 0.0153 142 GLY 11 HA2 -0.0101 0.0015 0.0084 143 GLY 11 C -0.0021 0.0039 0.0132 144 GLY 11 O -0.0057 0.0045 0.0175 145 HIS 12 N -0.0026 0.0107 0.0085 146 HIS 12 HN -0.0009 0.0097 0.0085 147 HIS 12 CA -0.0043 0.0105 0.0082 148 HIS 12 HA -0.0048 0.0124 0.0086 149 HIS 12 CB -0.0030 0.0091 0.0079 150 HIS 12 HB1 -0.0044 0.0086 0.0076 151 HIS 12 HB2 -0.0021 0.0072 0.0076 152 HIS 12 CD2 -0.0004 0.0105 0.0088 153 HIS 12 HD2 -0.0014 0.0096 0.0084 154 HIS 12 CG -0.0009 0.0104 0.0086 155 HIS 12 NE2 0.0016 0.0120 0.0095 156 HIS 12 HE2 0.0025 0.0125 0.0098 157 HIS 12 ND1 0.0009 0.0118 0.0093 158 HIS 12 HD1 0.0010 0.0120 0.0094 159 HIS 12 CE1 0.0023 0.0128 0.0098 160 HIS 12 HE1 0.0039 0.0140 0.0104 161 HIS 12 C -0.0068 0.0092 0.0074 162 HIS 12 O -0.0069 0.0076 0.0069 163 PHE 13 N 0.0047 0.0069 0.0049 164 PHE 13 HN 0.0062 0.0085 0.0069 165 PHE 13 CA 0.0026 0.0054 0.0062 166 PHE 13 HA 0.0005 0.0033 0.0047 167 PHE 13 CB 0.0017 0.0054 0.0108 168 PHE 13 HB1 -0.0002 0.0040 0.0118 169 PHE 13 HB2 0.0037 0.0075 0.0125 170 PHE 13 CG 0.0005 0.0046 0.0121 171 PHE 13 CD1 -0.0022 0.0021 0.0105 172 PHE 13 HD1 -0.0034 0.0007 0.0085 173 PHE 13 CE1 -0.0032 0.0013 0.0116 174 PHE 13 HE1 -0.0053 -0.0006 0.0103 175 PHE 13 CZ -0.0017 0.0032 0.0142 176 PHE 13 HZ -0.0025 0.0026 0.0149 177 PHE 13 CD2 0.0021 0.0064 0.0147 178 PHE 13 HD2 0.0041 0.0084 0.0158 179 PHE 13 CE2 0.0010 0.0057 0.0157 180 PHE 13 HE2 0.0023 0.0071 0.0177 181 PHE 13 C 0.0041 0.0064 0.0050 182 PHE 13 O 0.0069 0.0089 0.0050 183 LEU 14 N 0.0069 -0.0032 -0.0041 184 LEU 14 HN 0.0054 -0.0033 -0.0041 185 LEU 14 CA 0.0085 -0.0024 -0.0054 186 LEU 14 HA 0.0096 -0.0021 -0.0057 187 LEU 14 CB 0.0074 -0.0012 -0.0073 188 LEU 14 HB1 0.0087 -0.0006 -0.0083 189 LEU 14 HB2 0.0063 -0.0014 -0.0070 190 LEU 14 CG 0.0060 -0.0007 -0.0083 191 LEU 14 HG 0.0046 -0.0013 -0.0074 192 LEU 14 CD1 0.0051 0.0004 -0.0102 193 LEU 14 HD11 0.0065 0.0011 -0.0111 194 LEU 14 HD12 0.0040 0.0008 -0.0108 195 LEU 14 HD13 0.0041 0.0003 -0.0100 196 LEU 14 CD2 0.0073 -0.0005 -0.0086 197 LEU 14 HD21 0.0078 -0.0013 -0.0072 198 LEU 14 HD22 0.0063 -0.0000 -0.0094 199 LEU 14 HD23 0.0088 0.0001 -0.0094 200 LEU 14 C 0.0099 -0.0029 -0.0045 201 LEU 14 O 0.0090 -0.0034 -0.0037 202 SER 15 N 0.0135 -0.0025 -0.0034 203 SER 15 HN 0.0152 -0.0027 -0.0041 204 SER 15 CA 0.0118 -0.0012 -0.0019 205 SER 15 HA 0.0097 -0.0017 -0.0016 206 SER 15 CB 0.0127 0.0015 -0.0003 207 SER 15 HB1 0.0115 0.0024 0.0008 208 SER 15 HB2 0.0149 0.0020 -0.0006 209 SER 15 OG 0.0123 0.0021 0.0004 210 SER 15 HG1 0.0125 0.0009 -0.0007 211 SER 15 C 0.0115 -0.0017 -0.0022 212 SER 15 O 0.0133 -0.0024 -0.0033 213 ALA 16 N 0.0096 -0.0082 0.0065 214 ALA 16 HN 0.0085 -0.0078 0.0072 215 ALA 16 CA 0.0084 -0.0087 0.0069 216 ALA 16 HA 0.0097 -0.0094 0.0060 217 ALA 16 CB 0.0062 -0.0109 0.0072 218 ALA 16 HB1 0.0069 -0.0127 0.0062 219 ALA 16 HB2 0.0048 -0.0103 0.0081 220 ALA 16 HB3 0.0052 -0.0115 0.0075 221 ALA 16 C 0.0075 -0.0063 0.0082 222 ALA 16 O 0.0064 -0.0048 0.0093 223 GLU 17 N -0.0018 -0.0075 0.0151 224 GLU 17 HN 0.0018 -0.0090 0.0069 225 GLU 17 CA 0.0020 0.0022 0.0250 226 GLU 17 HA -0.0040 0.0019 0.0341 227 GLU 17 CB 0.0125 0.0119 0.0242 228 GLU 17 HB1 0.0165 0.0189 0.0295 229 GLU 17 HB2 0.0178 0.0109 0.0141 230 GLU 17 CG 0.0113 0.0141 0.0297 231 GLU 17 HG1 0.0077 0.0075 0.0246 232 GLU 17 HG2 0.0063 0.0154 0.0398 233 GLU 17 CD 0.0222 0.0238 0.0283 234 GLU 17 OE1 0.0245 0.0242 0.0253 235 GLU 17 OE2 0.0293 0.0308 0.0286 236 GLU 17 C 0.0047 0.0043 0.0242 237 GLU 17 O 0.0107 0.0041 0.0144 238 GLY 18 N 0.0012 0.0022 0.0305 239 GLY 18 HN -0.0035 0.0067 0.0344 240 GLY 18 CA 0.0017 -0.0027 0.0252 241 GLY 18 HA1 0.0092 -0.0033 0.0264 242 GLY 18 HA2 -0.0041 -0.0006 0.0262 243 GLY 18 C -0.0003 -0.0098 0.0168 244 GLY 18 O -0.0089 -0.0108 0.0136 245 GLU 19 N -0.0022 -0.0205 0.0025 246 GLU 19 HN -0.0090 -0.0202 -0.0013 247 GLU 19 CA -0.0019 -0.0174 0.0131 248 GLU 19 HA 0.0050 -0.0177 0.0171 249 GLU 19 CB -0.0116 -0.0138 0.0181 250 GLU 19 HB1 -0.0114 -0.0114 0.0261 251 GLU 19 HB2 -0.0187 -0.0133 0.0142 252 GLU 19 CG -0.0123 -0.0136 0.0180 253 GLU 19 HG1 -0.0127 -0.0159 0.0102 254 GLU 19 HG2 -0.0054 -0.0139 0.0223 255 GLU 19 CD -0.0218 -0.0099 0.0232 256 GLU 19 OE1 -0.0244 -0.0070 0.0311 257 GLU 19 OE2 -0.0266 -0.0100 0.0193 258 GLU 19 C -0.0019 -0.0169 0.0147 259 GLU 19 O -0.0033 -0.0141 0.0232 260 ALA 20 N 0.0006 -0.0055 0.0098 261 ALA 20 HN 0.0008 -0.0059 0.0090 262 ALA 20 CA 0.0008 -0.0060 0.0075 263 ALA 20 HA 0.0012 -0.0065 0.0089 264 ALA 20 CB -0.0008 -0.0033 0.0056 265 ALA 20 HB1 -0.0007 -0.0036 0.0040 266 ALA 20 HB2 -0.0018 -0.0016 0.0073 267 ALA 20 HB3 -0.0012 -0.0028 0.0041 268 ALA 20 C 0.0022 -0.0084 0.0053 269 ALA 20 O 0.0029 -0.0095 0.0050 270 VAL 21 N 0.0037 -0.0061 0.0017 271 VAL 21 HN 0.0032 -0.0061 0.0025 272 VAL 21 CA 0.0056 -0.0068 -0.0000 273 VAL 21 HA 0.0059 -0.0067 -0.0009 274 VAL 21 CB 0.0075 -0.0084 0.0012 275 VAL 21 HB 0.0072 -0.0086 0.0019 276 VAL 21 CG1 0.0095 -0.0092 -0.0006 277 VAL 21 HG11 0.0096 -0.0087 -0.0021 278 VAL 21 HG12 0.0098 -0.0092 -0.0013 279 VAL 21 HG13 0.0109 -0.0104 0.0003 280 VAL 21 CG2 0.0075 -0.0092 0.0033 281 VAL 21 HG21 0.0089 -0.0105 0.0041 282 VAL 21 HG22 0.0076 -0.0091 0.0026 283 VAL 21 HG23 0.0061 -0.0088 0.0047 284 VAL 21 C 0.0054 -0.0060 -0.0018 285 VAL 21 O 0.0045 -0.0056 -0.0011 286 LYS 22 N 0.0013 -0.0069 -0.0033 287 LYS 22 HN 0.0036 -0.0061 -0.0058 288 LYS 22 CA 0.0018 -0.0044 -0.0077 289 LYS 22 HA 0.0012 -0.0063 -0.0042 290 LYS 22 CB -0.0049 0.0007 -0.0128 291 LYS 22 HB1 -0.0108 0.0004 -0.0091 292 LYS 22 HB2 -0.0050 0.0024 -0.0156 293 LYS 22 CG -0.0039 0.0038 -0.0185 294 LYS 22 HG1 -0.0000 0.0056 -0.0237 295 LYS 22 HG2 -0.0005 0.0015 -0.0165 296 LYS 22 CD -0.0120 0.0074 -0.0203 297 LYS 22 HD1 -0.0101 0.0089 -0.0239 298 LYS 22 HD2 -0.0157 0.0056 -0.0152 299 LYS 22 CE -0.0170 0.0115 -0.0245 300 LYS 22 HE1 -0.0197 0.0102 -0.0208 301 LYS 22 HE2 -0.0130 0.0131 -0.0294 302 LYS 22 NZ -0.0236 0.0152 -0.0272 303 LYS 22 HZ1 -0.0266 0.0183 -0.0309 304 LYS 22 HZ2 -0.0277 0.0141 -0.0231 305 LYS 22 HZ3 -0.0209 0.0160 -0.0300 306 LYS 22 C 0.0103 -0.0045 -0.0122 307 LYS 22 O 0.0145 -0.0050 -0.0137 308 THR 23 N -0.0036 -0.0058 -0.0077 309 THR 23 HN -0.0025 -0.0072 -0.0076 310 THR 23 CA -0.0024 -0.0039 -0.0064 311 THR 23 HA -0.0035 -0.0030 -0.0067 312 THR 23 CB -0.0001 -0.0049 -0.0055 313 THR 23 HB 0.0010 -0.0058 -0.0051 314 THR 23 OG1 -0.0002 -0.0067 -0.0061 315 THR 23 HG1 0.0013 -0.0073 -0.0055 316 THR 23 CG2 0.0011 -0.0029 -0.0042 317 THR 23 HG21 0.0027 -0.0037 -0.0035 318 THR 23 HG22 0.0015 -0.0015 -0.0035 319 THR 23 HG23 -0.0001 -0.0019 -0.0045 320 THR 23 C -0.0022 -0.0020 -0.0056 321 THR 23 O -0.0017 -0.0026 -0.0056 322 HIS 24 N -0.0028 0.0130 -0.0008 323 HIS 24 HN -0.0026 0.0149 -0.0007 324 HIS 24 CA -0.0029 0.0128 -0.0013 325 HIS 24 HA -0.0031 0.0107 -0.0008 326 HIS 24 CB -0.0034 0.0134 -0.0044 327 HIS 24 HB1 -0.0033 0.0155 -0.0050 328 HIS 24 HB2 -0.0037 0.0118 -0.0056 329 HIS 24 CD2 -0.0037 0.0147 -0.0073 330 HIS 24 HD2 -0.0038 0.0163 -0.0086 331 HIS 24 CG -0.0035 0.0132 -0.0053 332 HIS 24 NE2 -0.0039 0.0135 -0.0074 333 HIS 24 HE2 -0.0040 0.0140 -0.0088 334 HIS 24 ND1 -0.0036 0.0112 -0.0042 335 HIS 24 HD1 -0.0035 0.0098 -0.0027 336 HIS 24 CE1 -0.0037 0.0115 -0.0055 337 HIS 24 HE1 -0.0038 0.0102 -0.0052 338 HIS 24 C -0.0025 0.0148 0.0004 339 HIS 24 O -0.0022 0.0171 0.0008 340 HIS 25 N -0.0098 0.0292 0.0126 341 HIS 25 HN -0.0052 0.0159 0.0107 342 HIS 25 CA -0.0180 0.0305 0.0276 343 HIS 25 HA -0.0246 0.0421 0.0342 344 HIS 25 CB -0.0198 0.0121 0.0404 345 HIS 25 HB1 -0.0224 0.0106 0.0462 346 HIS 25 HB2 -0.0256 0.0128 0.0511 347 HIS 25 CD2 -0.0076 -0.0161 0.0315 348 HIS 25 HD2 -0.0108 -0.0137 0.0364 349 HIS 25 CG -0.0107 -0.0054 0.0320 350 HIS 25 NE2 0.0010 -0.0313 0.0229 351 HIS 25 HE2 0.0053 -0.0414 0.0199 352 HIS 25 ND1 -0.0043 -0.0138 0.0241 353 HIS 25 HD1 -0.0048 -0.0093 0.0227 354 HIS 25 CE1 0.0027 -0.0292 0.0187 355 HIS 25 HE1 0.0090 -0.0390 0.0117 356 HIS 25 C -0.0164 0.0346 0.0224 357 HIS 25 O -0.0235 0.0424 0.0321 358 GLY 26 N -0.0117 0.0259 0.0084 359 GLY 26 HN -0.0116 0.0265 0.0087 360 GLY 26 CA -0.0091 0.0244 0.0069 361 GLY 26 HA1 -0.0082 0.0255 0.0073 362 GLY 26 HA2 -0.0075 0.0243 0.0065 363 GLY 26 C -0.0101 0.0214 0.0055 364 GLY 26 O -0.0124 0.0200 0.0053 365 HIS 27 N -0.0012 0.0087 -0.0006 366 HIS 27 HN 0.0022 0.0093 0.0013 367 HIS 27 CA -0.0016 -0.0003 -0.0023 368 HIS 27 HA -0.0012 -0.0045 -0.0028 369 HIS 27 CB -0.0091 -0.0025 -0.0067 370 HIS 27 HB1 -0.0087 -0.0097 -0.0076 371 HIS 27 HB2 -0.0098 0.0013 -0.0064 372 HIS 27 CD2 -0.0227 0.0051 -0.0126 373 HIS 27 HD2 -0.0240 0.0098 -0.0126 374 HIS 27 CG -0.0163 -0.0007 -0.0102 375 HIS 27 NE2 -0.0274 0.0042 -0.0153 376 HIS 27 HE2 -0.0324 0.0079 -0.0173 377 HIS 27 ND1 -0.0169 -0.0053 -0.0113 378 HIS 27 HD1 -0.0131 -0.0101 -0.0100 379 HIS 27 CE1 -0.0237 -0.0022 -0.0143 380 HIS 27 HE1 -0.0259 -0.0043 -0.0159 381 HIS 27 C 0.0059 -0.0023 0.0013 382 HIS 27 O 0.0080 0.0032 0.0033 383 HIS 28 N 0.0158 -0.0105 -0.0053 384 HIS 28 HN 0.0201 -0.0087 -0.0056 385 HIS 28 CA -0.0004 -0.0041 -0.0022 386 HIS 28 HA -0.0040 0.0013 -0.0010 387 HIS 28 CB -0.0010 0.0106 -0.0003 388 HIS 28 HB1 0.0062 0.0207 -0.0000 389 HIS 28 HB2 -0.0138 0.0150 0.0021 390 HIS 28 CD2 0.0178 0.0165 -0.0022 391 HIS 28 HD2 0.0260 0.0259 -0.0022 392 HIS 28 CG 0.0055 0.0082 -0.0015 393 HIS 28 NE2 0.0193 0.0115 -0.0030 394 HIS 28 HE2 0.0274 0.0156 -0.0037 395 HIS 28 ND1 -0.0010 -0.0022 -0.0019 396 HIS 28 HD1 -0.0104 -0.0099 -0.0015 397 HIS 28 CE1 0.0078 0.0002 -0.0028 398 HIS 28 HE1 0.0059 -0.0071 -0.0034 399 HIS 28 C -0.0145 -0.0161 -0.0017 400 HIS 28 O -0.0284 -0.0126 0.0007 401 ASP 29 N -0.0008 -0.0044 -0.0033 402 ASP 29 HN -0.0007 -0.0031 -0.0058 403 ASP 29 CA -0.0003 -0.0038 -0.0015 404 ASP 29 HA 0.0006 -0.0028 0.0014 405 ASP 29 CB 0.0005 -0.0007 -0.0038 406 ASP 29 HB1 0.0010 -0.0001 -0.0025 407 ASP 29 HB2 -0.0003 -0.0014 -0.0069 408 ASP 29 CG 0.0019 0.0029 -0.0038 409 ASP 29 OD1 0.0024 0.0054 -0.0064 410 ASP 29 OD2 0.0025 0.0032 -0.0013 411 ASP 29 C -0.0015 -0.0073 -0.0009 412 ASP 29 O -0.0028 -0.0095 -0.0034 413 HIS 30 N -0.0160 -0.0184 -0.0028 414 HIS 30 HN -0.0160 -0.0193 -0.0036 415 HIS 30 CA -0.0168 -0.0169 -0.0038 416 HIS 30 HA -0.0169 -0.0156 -0.0028 417 HIS 30 CB -0.0177 -0.0162 -0.0057 418 HIS 30 HB1 -0.0183 -0.0151 -0.0064 419 HIS 30 HB2 -0.0177 -0.0176 -0.0068 420 HIS 30 CD2 -0.0177 -0.0160 -0.0056 421 HIS 30 HD2 -0.0176 -0.0173 -0.0065 422 HIS 30 CG -0.0178 -0.0153 -0.0051 423 HIS 30 NE2 -0.0179 -0.0145 -0.0046 424 HIS 30 HE2 -0.0179 -0.0146 -0.0046 425 HIS 30 ND1 -0.0179 -0.0135 -0.0038 426 HIS 30 HD1 -0.0180 -0.0127 -0.0033 427 HIS 30 CE1 -0.0180 -0.0131 -0.0036 428 HIS 30 HE1 -0.0181 -0.0118 -0.0027 429 HIS 30 C -0.0168 -0.0179 -0.0046 430 HIS 30 O -0.0165 -0.0197 -0.0053 431 HIS 31 N 0.0128 -0.0049 0.0259 432 HIS 31 HN 0.0119 -0.0056 0.0262 433 HIS 31 CA 0.0128 -0.0045 0.0242 434 HIS 31 HA 0.0136 -0.0038 0.0237 435 HIS 31 CB 0.0115 -0.0053 0.0231 436 HIS 31 HB1 0.0114 -0.0052 0.0218 437 HIS 31 HB2 0.0106 -0.0061 0.0237 438 HIS 31 CD2 0.0110 -0.0059 0.0239 439 HIS 31 HD2 0.0106 -0.0064 0.0251 440 HIS 31 CG 0.0115 -0.0053 0.0229 441 HIS 31 NE2 0.0111 -0.0057 0.0230 442 HIS 31 HE2 0.0109 -0.0059 0.0234 443 HIS 31 ND1 0.0118 -0.0048 0.0215 444 HIS 31 HD1 0.0122 -0.0043 0.0205 445 HIS 31 CE1 0.0116 -0.0050 0.0216 446 HIS 31 HE1 0.0118 -0.0047 0.0207 447 HIS 31 C 0.0129 -0.0044 0.0239 448 HIS 31 O 0.0125 -0.0049 0.0248 449 THR 32 N 0.0172 0.0060 0.0066 450 THR 32 HN 0.0198 0.0055 0.0070 451 THR 32 CA 0.0152 0.0034 0.0044 452 THR 32 HA 0.0130 0.0038 0.0041 453 THR 32 CB 0.0174 0.0004 0.0029 454 THR 32 HB 0.0197 -0.0001 0.0032 455 THR 32 OG1 0.0187 0.0006 0.0034 456 THR 32 HG1 0.0190 0.0027 0.0049 457 THR 32 CG2 0.0153 -0.0023 0.0006 458 THR 32 HG21 0.0169 -0.0044 -0.0004 459 THR 32 HG22 0.0143 -0.0027 0.0000 460 THR 32 HG23 0.0130 -0.0018 0.0003 461 THR 32 C 0.0138 0.0031 0.0038 462 THR 32 O 0.0157 0.0029 0.0041 463 HIS 33 N 0.0137 0.0035 -0.0020 464 HIS 33 HN 0.0102 0.0034 -0.0040 465 HIS 33 CA 0.0115 0.0043 -0.0029 466 HIS 33 HA 0.0155 0.0053 -0.0001 467 HIS 33 CB 0.0054 0.0103 -0.0038 468 HIS 33 HB1 0.0036 0.0106 -0.0047 469 HIS 33 HB2 0.0011 0.0095 -0.0066 470 HIS 33 CD2 0.0123 0.0195 0.0045 471 HIS 33 HD2 0.0174 0.0164 0.0060 472 HIS 33 CG 0.0067 0.0174 0.0002 473 HIS 33 NE2 0.0106 0.0266 0.0067 474 HIS 33 HE2 0.0135 0.0297 0.0098 475 HIS 33 ND1 0.0014 0.0232 -0.0002 476 HIS 33 HD1 -0.0034 0.0233 -0.0030 477 HIS 33 CE1 0.0039 0.0286 0.0037 478 HIS 33 HE1 0.0011 0.0339 0.0044 479 HIS 33 C 0.0100 -0.0027 -0.0069 480 HIS 33 O 0.0062 -0.0055 -0.0104 481 PHE 34 N 0.0039 -0.0039 -0.0036 482 PHE 34 HN 0.0071 -0.0032 -0.0041 483 PHE 34 CA 0.0031 -0.0092 -0.0041 484 PHE 34 HA 0.0006 -0.0094 -0.0036 485 PHE 34 CB 0.0081 -0.0120 -0.0054 486 PHE 34 HB1 0.0074 -0.0162 -0.0057 487 PHE 34 HB2 0.0109 -0.0116 -0.0059 488 PHE 34 CG 0.0104 -0.0097 -0.0055 489 PHE 34 CD1 0.0082 -0.0108 -0.0052 490 PHE 34 HD1 0.0047 -0.0131 -0.0049 491 PHE 34 CE1 0.0104 -0.0089 -0.0055 492 PHE 34 HE1 0.0087 -0.0098 -0.0052 493 PHE 34 CZ 0.0150 -0.0059 -0.0060 494 PHE 34 HZ 0.0168 -0.0045 -0.0061 495 PHE 34 CD2 0.0149 -0.0067 -0.0061 496 PHE 34 HD2 0.0167 -0.0059 -0.0063 497 PHE 34 CE2 0.0172 -0.0048 -0.0063 498 PHE 34 HE2 0.0207 -0.0025 -0.0067 499 PHE 34 C 0.0003 -0.0122 -0.0039 500 PHE 34 O 0.0018 -0.0123 -0.0042 501 HIS 35 N -0.0077 -0.0210 -0.0084 502 HIS 35 HN -0.0095 -0.0216 -0.0084 503 HIS 35 CA -0.0106 -0.0231 -0.0084 504 HIS 35 HA -0.0086 -0.0218 -0.0084 505 HIS 35 CB -0.0166 -0.0210 -0.0086 506 HIS 35 HB1 -0.0191 -0.0231 -0.0086 507 HIS 35 HB2 -0.0186 -0.0217 -0.0086 508 HIS 35 CD2 -0.0163 -0.0106 -0.0090 509 HIS 35 HD2 -0.0159 -0.0106 -0.0090 510 HIS 35 CG -0.0166 -0.0149 -0.0089 511 HIS 35 NE2 -0.0168 -0.0056 -0.0092 512 HIS 35 HE2 -0.0166 -0.0018 -0.0094 513 HIS 35 ND1 -0.0174 -0.0125 -0.0090 514 HIS 35 HD1 -0.0180 -0.0146 -0.0089 515 HIS 35 CE1 -0.0174 -0.0070 -0.0092 516 HIS 35 HE1 -0.0180 -0.0041 -0.0093 517 HIS 35 C -0.0106 -0.0293 -0.0081 518 HIS 35 O -0.0123 -0.0320 -0.0080 519 VAL 36 N -0.0085 -0.0055 0.0042 520 VAL 36 HN -0.0082 -0.0045 0.0044 521 VAL 36 CA -0.0085 -0.0031 0.0058 522 VAL 36 HA -0.0097 -0.0046 0.0066 523 VAL 36 CB -0.0093 -0.0003 0.0088 524 VAL 36 HB -0.0081 0.0012 0.0080 525 VAL 36 CG1 -0.0092 0.0024 0.0103 526 VAL 36 HG11 -0.0073 0.0042 0.0087 527 VAL 36 HG12 -0.0102 0.0009 0.0110 528 VAL 36 HG13 -0.0100 0.0041 0.0127 529 VAL 36 CG2 -0.0119 -0.0024 0.0113 530 VAL 36 HG21 -0.0131 -0.0039 0.0122 531 VAL 36 HG22 -0.0121 -0.0044 0.0103 532 VAL 36 HG23 -0.0125 -0.0005 0.0135 533 VAL 36 C -0.0059 -0.0010 0.0033 534 VAL 36 O -0.0042 0.0006 0.0018 535 GLU 37 N -0.0113 0.0058 0.0009 536 GLU 37 HN -0.0128 0.0040 0.0022 537 GLU 37 CA -0.0075 0.0086 -0.0028 538 GLU 37 HA -0.0060 0.0102 -0.0042 539 GLU 37 CB -0.0055 0.0044 -0.0064 540 GLU 37 HB1 -0.0068 0.0028 -0.0052 541 GLU 37 HB2 -0.0058 0.0007 -0.0069 542 GLU 37 CG -0.0013 0.0065 -0.0108 543 GLU 37 HG1 0.0000 0.0083 -0.0119 544 GLU 37 HG2 -0.0007 0.0098 -0.0105 545 GLU 37 CD 0.0006 0.0018 -0.0142 546 GLU 37 OE1 0.0002 0.0000 -0.0142 547 GLU 37 OE2 0.0024 -0.0004 -0.0168 548 GLU 37 C -0.0076 0.0134 -0.0015 549 GLU 37 O -0.0099 0.0129 0.0010 550 ASN 38 N -0.0132 -0.0026 -0.0102 551 ASN 38 HN 0.0084 -0.0302 -0.0056 552 ASN 38 CA -0.0130 0.0450 -0.0062 553 ASN 38 HA -0.0483 0.0627 -0.0160 554 ASN 38 CB -0.0084 0.0374 -0.0053 555 ASN 38 HB1 -0.0436 0.0232 -0.0178 556 ASN 38 HB2 -0.0020 0.0736 -0.0003 557 ASN 38 CG 0.0324 0.0000 0.0046 558 ASN 38 OD1 0.0749 0.0092 0.0189 559 ASN 38 ND2 0.0196 -0.0437 -0.0032 560 ASN 38 HD21 0.0467 -0.0672 0.0035 561 ASN 38 HD22 -0.0148 -0.0501 -0.0147 562 ASN 38 C 0.0223 0.0836 0.0083 563 ASN 38 O 0.0606 0.0711 0.0195 564 HIS 39 N -0.0095 0.0323 0.0015 565 HIS 39 HN -0.0082 0.0338 0.0077 566 HIS 39 CA -0.0101 0.0244 -0.0037 567 HIS 39 HA -0.0121 0.0260 -0.0111 568 HIS 39 CB -0.0088 0.0146 -0.0020 569 HIS 39 HB1 -0.0089 0.0085 -0.0046 570 HIS 39 HB2 -0.0069 0.0138 0.0056 571 HIS 39 CD2 -0.0093 0.0152 -0.0039 572 HIS 39 HD2 -0.0079 0.0181 0.0029 573 HIS 39 CG -0.0100 0.0137 -0.0070 574 HIS 39 NE2 -0.0109 0.0128 -0.0112 575 HIS 39 HE2 -0.0111 0.0141 -0.0116 576 HIS 39 ND1 -0.0119 0.0100 -0.0161 577 HIS 39 HD1 -0.0127 0.0081 -0.0201 578 HIS 39 CE1 -0.0124 0.0098 -0.0183 579 HIS 39 HE1 -0.0139 0.0075 -0.0252 580 HIS 39 C -0.0094 0.0238 -0.0010 581 HIS 39 O -0.0085 0.0160 -0.0003 582 GLY 40 N 0.0150 -0.0034 0.0447 583 GLY 40 HN 0.0068 -0.0381 0.0589 584 GLY 40 CA -0.0010 0.0123 0.0093 585 GLY 40 HA1 0.0159 0.0488 0.0065 586 GLY 40 HA2 -0.0080 -0.0118 0.0171 587 GLY 40 C -0.0328 0.0085 -0.0349 588 GLY 40 O -0.0522 -0.0254 -0.0378 589 GLY 41 N -0.0194 -0.0409 0.0317 590 GLY 41 HN -0.0009 -0.0317 0.0085 591 GLY 41 CA -0.0227 -0.0425 -0.0087 592 GLY 41 HA1 -0.0079 -0.0351 -0.0606 593 GLY 41 HA2 -0.0700 -0.0661 -0.0073 594 GLY 41 C 0.0167 -0.0230 0.0152 595 GLY 41 O 0.0041 -0.0292 -0.0032 596 LYS 42 N 0.0012 -0.0021 0.0050 597 LYS 42 HN -0.0023 -0.0026 0.0043 598 LYS 42 CA 0.0070 0.0017 0.0086 599 LYS 42 HA 0.0095 0.0030 0.0098 600 LYS 42 CB 0.0132 -0.0010 0.0067 601 LYS 42 HB1 0.0164 0.0023 0.0097 602 LYS 42 HB2 0.0106 -0.0034 0.0045 603 LYS 42 CG 0.0185 -0.0049 0.0038 604 LYS 42 HG1 0.0155 -0.0083 0.0007 605 LYS 42 HG2 0.0205 -0.0023 0.0062 606 LYS 42 CD 0.0252 -0.0071 0.0024 607 LYS 42 HD1 0.0294 -0.0090 0.0011 608 LYS 42 HD2 0.0278 -0.0034 0.0057 609 LYS 42 CE 0.0238 -0.0115 -0.0013 610 LYS 42 HE1 0.0290 -0.0126 -0.0020 611 LYS 42 HE2 0.0197 -0.0097 -0.0002 612 LYS 42 NZ 0.0210 -0.0166 -0.0059 613 LYS 42 HZ1 0.0206 -0.0197 -0.0085 614 LYS 42 HZ2 0.0246 -0.0181 -0.0069 615 LYS 42 HZ3 0.0158 -0.0157 -0.0054 616 LYS 42 C 0.0035 0.0071 0.0128 617 LYS 42 O -0.0017 0.0070 0.0123 618 VAL 43 N -0.0024 0.0091 0.0130 619 VAL 43 HN -0.0027 0.0089 0.0141 620 VAL 43 CA -0.0020 0.0084 0.0144 621 VAL 43 HA -0.0023 0.0090 0.0132 622 VAL 43 CB -0.0037 0.0086 0.0171 623 VAL 43 HB -0.0035 0.0081 0.0179 624 VAL 43 CG1 -0.0062 0.0103 0.0166 625 VAL 43 HG11 -0.0074 0.0105 0.0184 626 VAL 43 HG12 -0.0066 0.0111 0.0151 627 VAL 43 HG13 -0.0066 0.0108 0.0159 628 VAL 43 CG2 -0.0032 0.0076 0.0191 629 VAL 43 HG21 -0.0045 0.0078 0.0209 630 VAL 43 HG22 -0.0033 0.0079 0.0183 631 VAL 43 HG23 -0.0014 0.0063 0.0196 632 VAL 43 C 0.0005 0.0066 0.0148 633 VAL 43 O 0.0018 0.0059 0.0146 634 ALA 44 N -0.0033 0.0078 0.0083 635 ALA 44 HN -0.0032 0.0092 0.0074 636 ALA 44 CA -0.0020 0.0037 0.0080 637 ALA 44 HA -0.0022 0.0024 0.0091 638 ALA 44 CB 0.0003 0.0030 0.0042 639 ALA 44 HB1 0.0007 0.0045 0.0026 640 ALA 44 HB2 0.0006 0.0041 0.0030 641 ALA 44 HB3 0.0013 -0.0000 0.0040 642 ALA 44 C -0.0026 0.0021 0.0100 643 ALA 44 O -0.0032 0.0039 0.0102 644 LEU 45 N -0.0010 -0.0047 0.0045 645 LEU 45 HN -0.0003 -0.0055 0.0042 646 LEU 45 CA -0.0010 -0.0046 0.0060 647 LEU 45 HA -0.0017 -0.0035 0.0063 648 LEU 45 CB -0.0005 -0.0051 0.0074 649 LEU 45 HB1 -0.0004 -0.0051 0.0086 650 LEU 45 HB2 0.0003 -0.0062 0.0071 651 LEU 45 CG -0.0010 -0.0044 0.0079 652 LEU 45 HG -0.0010 -0.0044 0.0067 653 LEU 45 CD1 -0.0003 -0.0052 0.0091 654 LEU 45 HD11 -0.0007 -0.0047 0.0094 655 LEU 45 HD12 0.0004 -0.0062 0.0087 656 LEU 45 HD13 -0.0002 -0.0053 0.0103 657 LEU 45 CD2 -0.0020 -0.0030 0.0084 658 LEU 45 HD21 -0.0020 -0.0029 0.0091 659 LEU 45 HD22 -0.0025 -0.0023 0.0074 660 LEU 45 HD23 -0.0022 -0.0026 0.0092 661 LEU 45 C -0.0004 -0.0053 0.0058 662 LEU 45 O 0.0004 -0.0065 0.0054 663 LYS 46 N -0.0071 -0.0148 -0.0026 664 LYS 46 HN -0.0076 -0.0144 -0.0024 665 LYS 46 CA -0.0066 -0.0154 -0.0026 666 LYS 46 HA -0.0061 -0.0159 -0.0027 667 LYS 46 CB -0.0065 -0.0152 -0.0035 668 LYS 46 HB1 -0.0064 -0.0150 -0.0041 669 LYS 46 HB2 -0.0060 -0.0156 -0.0035 670 LYS 46 CG -0.0071 -0.0145 -0.0035 671 LYS 46 HG1 -0.0072 -0.0147 -0.0029 672 LYS 46 HG2 -0.0076 -0.0140 -0.0033 673 LYS 46 CD -0.0070 -0.0143 -0.0044 674 LYS 46 HD1 -0.0070 -0.0141 -0.0050 675 LYS 46 HD2 -0.0065 -0.0149 -0.0046 676 LYS 46 CE -0.0075 -0.0138 -0.0044 677 LYS 46 HE1 -0.0075 -0.0140 -0.0039 678 LYS 46 HE2 -0.0081 -0.0133 -0.0043 679 LYS 46 NZ -0.0074 -0.0136 -0.0054 680 LYS 46 HZ1 -0.0076 -0.0132 -0.0058 681 LYS 46 HZ2 -0.0076 -0.0134 -0.0054 682 LYS 46 HZ3 -0.0068 -0.0141 -0.0057 683 LYS 46 C -0.0067 -0.0155 -0.0017 684 LYS 46 O -0.0073 -0.0150 -0.0012 685 THR 47 N -0.0051 -0.0148 -0.0030 686 THR 47 HN -0.0060 -0.0161 -0.0034 687 THR 47 CA -0.0043 -0.0103 -0.0019 688 THR 47 HA -0.0016 -0.0097 -0.0015 689 THR 47 CB -0.0033 -0.0087 -0.0015 690 THR 47 HB -0.0021 -0.0054 -0.0006 691 THR 47 OG1 -0.0068 -0.0089 -0.0019 692 THR 47 HG1 -0.0056 -0.0083 -0.0016 693 THR 47 CG2 0.0003 -0.0115 -0.0017 694 THR 47 HG21 -0.0008 -0.0148 -0.0025 695 THR 47 HG22 0.0013 -0.0103 -0.0013 696 THR 47 HG23 0.0031 -0.0116 -0.0014 697 THR 47 C -0.0080 -0.0076 -0.0018 698 THR 47 O -0.0115 -0.0091 -0.0025 699 HIS 48 N -0.0145 -0.0040 -0.0081 700 HIS 48 HN -0.0071 -0.0021 -0.0045 701 HIS 48 CA -0.0228 0.0047 -0.0064 702 HIS 48 HA -0.0282 0.0051 -0.0081 703 HIS 48 CB -0.0176 0.0145 0.0005 704 HIS 48 HB1 -0.0133 0.0153 0.0024 705 HIS 48 HB2 -0.0239 0.0213 0.0018 706 HIS 48 CD2 -0.0098 0.0207 0.0064 707 HIS 48 HD2 -0.0160 0.0268 0.0074 708 HIS 48 CG -0.0095 0.0146 0.0034 709 HIS 48 NE2 -0.0002 0.0178 0.0083 710 HIS 48 HE2 0.0023 0.0211 0.0109 711 HIS 48 ND1 0.0003 0.0080 0.0034 712 HIS 48 HD1 0.0027 0.0028 0.0015 713 HIS 48 CE1 0.0055 0.0102 0.0063 714 HIS 48 HE1 0.0135 0.0065 0.0072 715 HIS 48 C -0.0295 0.0041 -0.0091 716 HIS 48 O -0.0389 0.0082 -0.0103 717 CYS 49 N -0.0168 0.0043 -0.0115 718 CYS 49 HN -0.0155 0.0016 -0.0071 719 CYS 49 CA -0.0217 0.0009 -0.0170 720 CYS 49 HA -0.0228 0.0048 -0.0217 721 CYS 49 CB -0.0236 -0.0042 -0.0163 722 CYS 49 HB1 -0.0228 -0.0084 -0.0118 723 CYS 49 HB2 -0.0217 -0.0011 -0.0155 724 CYS 49 SG -0.0297 -0.0081 -0.0236 725 CYS 49 HG1 -0.0308 -0.0094 -0.0244 726 CYS 49 C -0.0237 -0.0033 -0.0171 727 CYS 49 O -0.0278 -0.0068 -0.0214 728 GLY 50 N -0.0149 -0.0086 -0.0061 729 GLY 50 HN -0.0160 -0.0098 -0.0077 730 GLY 50 CA -0.0146 -0.0081 -0.0061 731 GLY 50 HA1 -0.0139 -0.0084 -0.0037 732 GLY 50 HA2 -0.0158 -0.0096 -0.0074 733 GLY 50 C -0.0138 -0.0050 -0.0074 734 GLY 50 O -0.0131 -0.0040 -0.0067 735 LYS 51 N -0.0074 -0.0024 -0.0049 736 LYS 51 HN -0.0066 -0.0015 -0.0056 737 LYS 51 CA -0.0077 -0.0030 -0.0045 738 LYS 51 HA -0.0089 -0.0036 -0.0038 739 LYS 51 CB -0.0079 -0.0017 -0.0052 740 LYS 51 HB1 -0.0083 -0.0022 -0.0048 741 LYS 51 HB2 -0.0066 -0.0012 -0.0058 742 LYS 51 CG -0.0092 -0.0002 -0.0055 743 LYS 51 HG1 -0.0091 0.0008 -0.0061 744 LYS 51 HG2 -0.0090 0.0003 -0.0059 745 LYS 51 CD -0.0112 -0.0005 -0.0048 746 LYS 51 HD1 -0.0114 -0.0016 -0.0042 747 LYS 51 HD2 -0.0114 -0.0009 -0.0045 748 LYS 51 CE -0.0125 0.0010 -0.0052 749 LYS 51 HE1 -0.0122 0.0021 -0.0058 750 LYS 51 HE2 -0.0124 0.0012 -0.0053 751 LYS 51 NZ -0.0143 0.0007 -0.0045 752 LYS 51 HZ1 -0.0152 0.0017 -0.0047 753 LYS 51 HZ2 -0.0144 0.0007 -0.0044 754 LYS 51 HZ3 -0.0147 -0.0004 -0.0038 755 LYS 51 C -0.0062 -0.0044 -0.0042 756 LYS 51 O -0.0047 -0.0042 -0.0048 757 TYR 52 N 0.0029 -0.0042 -0.0027 758 TYR 52 HN 0.0029 -0.0049 -0.0035 759 TYR 52 CA 0.0028 -0.0037 -0.0021 760 TYR 52 HA 0.0027 -0.0028 -0.0017 761 TYR 52 CB 0.0028 -0.0035 -0.0032 762 TYR 52 HB1 0.0027 -0.0033 -0.0027 763 TYR 52 HB2 0.0029 -0.0043 -0.0039 764 TYR 52 CG 0.0026 -0.0023 -0.0040 765 TYR 52 CD1 0.0026 -0.0023 -0.0050 766 TYR 52 HD1 0.0027 -0.0032 -0.0052 767 TYR 52 CE1 0.0024 -0.0012 -0.0058 768 TYR 52 HE1 0.0024 -0.0013 -0.0066 769 TYR 52 CZ 0.0023 -0.0001 -0.0056 770 TYR 52 OH 0.0022 0.0011 -0.0064 771 TYR 52 HH 0.0021 0.0017 -0.0062 772 TYR 52 CD2 0.0025 -0.0011 -0.0039 773 TYR 52 HD2 0.0025 -0.0011 -0.0031 774 TYR 52 CE2 0.0023 -0.0000 -0.0047 775 TYR 52 HE2 0.0022 0.0009 -0.0045 776 TYR 52 C 0.0029 -0.0046 -0.0011 777 TYR 52 O 0.0031 -0.0058 -0.0013 778 LEU 53 N 0.0045 -0.0094 0.0045 779 LEU 53 HN 0.0044 -0.0096 0.0045 780 LEU 53 CA 0.0043 -0.0091 0.0043 781 LEU 53 HA 0.0043 -0.0091 0.0043 782 LEU 53 CB 0.0040 -0.0094 0.0040 783 LEU 53 HB1 0.0039 -0.0091 0.0038 784 LEU 53 HB2 0.0040 -0.0095 0.0040 785 LEU 53 CG 0.0039 -0.0096 0.0039 786 LEU 53 HG 0.0040 -0.0095 0.0040 787 LEU 53 CD1 0.0040 -0.0100 0.0041 788 LEU 53 HD11 0.0040 -0.0102 0.0041 789 LEU 53 HD12 0.0042 -0.0099 0.0044 790 LEU 53 HD13 0.0040 -0.0102 0.0041 791 LEU 53 CD2 0.0036 -0.0097 0.0036 792 LEU 53 HD21 0.0035 -0.0095 0.0035 793 LEU 53 HD22 0.0036 -0.0099 0.0036 794 LEU 53 HD23 0.0036 -0.0099 0.0036 795 LEU 53 C 0.0043 -0.0088 0.0043 796 LEU 53 O 0.0044 -0.0088 0.0043 797 SER 54 N 0.0021 -0.0044 0.0021 798 SER 54 HN 0.0026 -0.0043 0.0026 799 SER 54 CA 0.0026 -0.0041 0.0010 800 SER 54 HA 0.0019 -0.0043 0.0004 801 SER 54 CB 0.0035 -0.0038 0.0013 802 SER 54 HB1 0.0042 -0.0036 0.0019 803 SER 54 HB2 0.0030 -0.0040 0.0018 804 SER 54 OG 0.0039 -0.0035 0.0003 805 SER 54 HG1 0.0033 -0.0037 -0.0001 806 SER 54 C 0.0031 -0.0038 0.0005 807 SER 54 O 0.0035 -0.0037 0.0011 808 ILE 55 N -0.0005 0.0128 -0.0065 809 ILE 55 HN -0.0006 0.0125 -0.0063 810 ILE 55 CA -0.0002 0.0123 -0.0060 811 ILE 55 HA -0.0001 0.0128 -0.0063 812 ILE 55 CB 0.0007 0.0120 -0.0053 813 ILE 55 HB 0.0005 0.0114 -0.0050 814 ILE 55 CG2 0.0015 0.0127 -0.0054 815 ILE 55 HG21 0.0016 0.0134 -0.0058 816 ILE 55 HG22 0.0012 0.0129 -0.0057 817 ILE 55 HG23 0.0021 0.0125 -0.0049 818 ILE 55 CG1 0.0011 0.0117 -0.0049 819 ILE 55 HG11 0.0006 0.0110 -0.0046 820 ILE 55 HG12 0.0018 0.0116 -0.0044 821 ILE 55 CD 0.0012 0.0123 -0.0053 822 ILE 55 HD1 0.0004 0.0123 -0.0057 823 ILE 55 HD2 0.0016 0.0130 -0.0056 824 ILE 55 HD3 0.0015 0.0121 -0.0049 825 ILE 55 C -0.0011 0.0116 -0.0059 826 ILE 55 O -0.0011 0.0111 -0.0056 827 GLY 56 N -0.0101 0.0018 -0.0213 828 GLY 56 HN -0.0084 0.0005 -0.0211 829 GLY 56 CA -0.0105 0.0034 -0.0202 830 GLY 56 HA1 -0.0111 0.0027 -0.0213 831 GLY 56 HA2 -0.0087 0.0035 -0.0188 832 GLY 56 C -0.0123 0.0059 -0.0194 833 GLY 56 O -0.0124 0.0070 -0.0186 834 ASP 57 N -0.0509 -0.0051 -0.0311 835 ASP 57 HN -0.0433 -0.0059 -0.0126 836 ASP 57 CA -0.0267 -0.0049 -0.0522 837 ASP 57 HA -0.0350 -0.0039 -0.0758 838 ASP 57 CB 0.0017 -0.0055 -0.0489 839 ASP 57 HB1 0.0209 -0.0054 -0.0645 840 ASP 57 HB2 0.0102 -0.0065 -0.0246 841 ASP 57 CG -0.0058 -0.0051 -0.0567 842 ASP 57 OD1 -0.0308 -0.0042 -0.0700 843 ASP 57 OD2 0.0148 -0.0057 -0.0502 844 ASP 57 C -0.0151 -0.0053 -0.0451 845 ASP 57 O 0.0089 -0.0054 -0.0565 846 HIS 58 N -0.0225 -0.0052 -0.0200 847 HIS 58 HN -0.0241 0.0051 -0.0220 848 HIS 58 CA -0.0132 -0.0061 -0.0098 849 HIS 58 HA -0.0094 -0.0172 -0.0054 850 HIS 58 CB -0.0165 -0.0057 -0.0134 851 HIS 58 HB1 -0.0217 0.0046 -0.0193 852 HIS 58 HB2 -0.0212 -0.0165 -0.0185 853 HIS 58 CD2 -0.0066 0.0056 -0.0026 854 HIS 58 HD2 -0.0115 0.0154 -0.0081 855 HIS 58 CG -0.0079 -0.0047 -0.0039 856 HIS 58 NE2 0.0024 0.0011 0.0074 857 HIS 58 HE2 0.0053 0.0058 0.0106 858 HIS 58 ND1 0.0003 -0.0154 0.0052 859 HIS 58 HD1 0.0014 -0.0243 0.0065 860 HIS 58 CE1 0.0063 -0.0116 0.0118 861 HIS 58 HE1 0.0132 -0.0179 0.0195 862 HIS 58 C -0.0048 0.0065 -0.0007 863 HIS 58 O -0.0064 0.0174 -0.0025 864 LYS 59 N -0.0031 0.0081 0.0031 865 LYS 59 HN -0.0018 0.0038 0.0035 866 LYS 59 CA 0.0018 0.0134 0.0085 867 LYS 59 HA 0.0017 0.0131 0.0083 868 LYS 59 CB 0.0087 0.0097 0.0141 869 LYS 59 HB1 0.0123 0.0141 0.0182 870 LYS 59 HB2 0.0087 0.0097 0.0141 871 LYS 59 CG 0.0111 0.0005 0.0147 872 LYS 59 HG1 0.0162 -0.0012 0.0190 873 LYS 59 HG2 0.0082 -0.0041 0.0112 874 LYS 59 CD 0.0106 -0.0008 0.0139 875 LYS 59 HD1 0.0129 -0.0074 0.0149 876 LYS 59 HD2 0.0053 -0.0007 0.0092 877 LYS 59 CE 0.0133 0.0058 0.0176 878 LYS 59 HE1 0.0129 0.0039 0.0169 879 LYS 59 HE2 0.0106 0.0123 0.0163 880 LYS 59 NZ 0.0202 0.0065 0.0240 881 LYS 59 HZ1 0.0229 0.0005 0.0254 882 LYS 59 HZ2 0.0206 0.0090 0.0249 883 LYS 59 HZ3 0.0220 0.0107 0.0264 884 LYS 59 C 0.0008 0.0230 0.0093 885 LYS 59 O 0.0026 0.0282 0.0119 886 GLN 60 N -0.0029 0.0162 0.0075 887 GLN 60 HN -0.0024 0.0150 0.0067 888 GLN 60 CA -0.0024 0.0152 0.0068 889 GLN 60 HA -0.0036 0.0160 0.0081 890 GLN 60 CB -0.0026 0.0115 0.0063 891 GLN 60 HB1 -0.0024 0.0109 0.0059 892 GLN 60 HB2 -0.0013 0.0106 0.0046 893 GLN 60 CG -0.0049 0.0097 0.0083 894 GLN 60 HG1 -0.0051 0.0071 0.0079 895 GLN 60 HG2 -0.0049 0.0097 0.0083 896 GLN 60 CD -0.0070 0.0111 0.0107 897 GLN 60 OE1 -0.0079 0.0127 0.0121 898 GLN 60 NE2 -0.0077 0.0105 0.0114 899 GLN 60 HE21 -0.0069 0.0093 0.0103 900 GLN 60 HE22 -0.0091 0.0112 0.0131 901 GLN 60 C -0.0001 0.0166 0.0046 902 GLN 60 O 0.0015 0.0168 0.0030 903 VAL 61 N 0.0011 0.0056 0.0047 904 VAL 61 HN 0.0009 0.0052 0.0037 905 VAL 61 CA 0.0029 0.0050 0.0053 906 VAL 61 HA 0.0033 0.0055 0.0067 907 VAL 61 CB 0.0042 0.0040 0.0044 908 VAL 61 HB 0.0037 0.0035 0.0029 909 VAL 61 CG1 0.0061 0.0033 0.0049 910 VAL 61 HG11 0.0065 0.0038 0.0063 911 VAL 61 HG12 0.0069 0.0026 0.0042 912 VAL 61 HG13 0.0062 0.0031 0.0045 913 VAL 61 CG2 0.0041 0.0042 0.0047 914 VAL 61 HG21 0.0051 0.0034 0.0041 915 VAL 61 HG22 0.0045 0.0047 0.0062 916 VAL 61 HG23 0.0028 0.0046 0.0043 917 VAL 61 C 0.0032 0.0049 0.0053 918 VAL 61 O 0.0026 0.0046 0.0041 919 TYR 62 N -0.0059 0.0001 -0.0027 920 TYR 62 HN -0.0048 -0.0015 -0.0010 921 TYR 62 CA -0.0057 0.0016 0.0019 922 TYR 62 HA -0.0075 0.0042 -0.0002 923 TYR 62 CB -0.0063 0.0051 0.0079 924 TYR 62 HB1 -0.0043 0.0023 0.0110 925 TYR 62 HB2 -0.0083 0.0085 0.0062 926 TYR 62 CG -0.0072 0.0084 0.0118 927 TYR 62 CD1 -0.0050 0.0064 0.0175 928 TYR 62 HD1 -0.0027 0.0025 0.0193 929 TYR 62 CE1 -0.0059 0.0094 0.0209 930 TYR 62 HE1 -0.0042 0.0079 0.0253 931 TYR 62 CZ -0.0088 0.0145 0.0186 932 TYR 62 OH -0.0096 0.0173 0.0221 933 TYR 62 HH -0.0112 0.0194 0.0190 934 TYR 62 CD2 -0.0102 0.0135 0.0096 935 TYR 62 HD2 -0.0118 0.0151 0.0051 936 TYR 62 CE2 -0.0110 0.0165 0.0130 937 TYR 62 HE2 -0.0133 0.0204 0.0112 938 TYR 62 C -0.0026 -0.0040 0.0036 939 TYR 62 O -0.0003 -0.0087 0.0035 940 LEU 63 N -0.0009 -0.0069 0.0085 941 LEU 63 HN -0.0012 -0.0061 0.0085 942 LEU 63 CA -0.0003 -0.0081 0.0090 943 LEU 63 HA -0.0001 -0.0089 0.0089 944 LEU 63 CB -0.0004 -0.0087 0.0082 945 LEU 63 HB1 -0.0005 -0.0082 0.0085 946 LEU 63 HB2 -0.0009 -0.0086 0.0071 947 LEU 63 CG 0.0001 -0.0103 0.0083 948 LEU 63 HG 0.0006 -0.0105 0.0093 949 LEU 63 CD1 0.0000 -0.0112 0.0075 950 LEU 63 HD11 -0.0004 -0.0110 0.0064 951 LEU 63 HD12 0.0004 -0.0123 0.0076 952 LEU 63 HD13 0.0001 -0.0109 0.0079 953 LEU 63 CD2 0.0000 -0.0107 0.0078 954 LEU 63 HD21 0.0004 -0.0118 0.0078 955 LEU 63 HD22 -0.0005 -0.0104 0.0068 956 LEU 63 HD23 0.0001 -0.0102 0.0085 957 LEU 63 C 0.0001 -0.0077 0.0104 958 LEU 63 O -0.0000 -0.0068 0.0107 959 SER 64 N 0.0061 0.0017 0.0055 960 SER 64 HN 0.0054 0.0030 0.0059 961 SER 64 CA 0.0073 0.0018 0.0035 962 SER 64 HA 0.0080 0.0004 0.0033 963 SER 64 CB 0.0071 0.0037 0.0028 964 SER 64 HB1 0.0064 0.0051 0.0032 965 SER 64 HB2 0.0068 0.0034 0.0035 966 SER 64 OG 0.0083 0.0040 0.0008 967 SER 64 HG1 0.0083 0.0049 0.0002 968 SER 64 C 0.0079 0.0020 0.0024 969 SER 64 O 0.0073 0.0029 0.0029 970 HIS 65 N 0.0119 0.0186 0.0052 971 HIS 65 HN 0.0149 0.0146 0.0026 972 HIS 65 CA 0.0085 0.0217 0.0020 973 HIS 65 HA 0.0060 0.0254 0.0061 974 HIS 65 CB 0.0116 0.0178 0.0002 975 HIS 65 HB1 0.0140 0.0141 -0.0042 976 HIS 65 HB2 0.0142 0.0160 0.0054 977 HIS 65 CD2 0.0071 0.0207 -0.0099 978 HIS 65 HD2 0.0087 0.0178 -0.0150 979 HIS 65 CG 0.0081 0.0211 -0.0028 980 HIS 65 NE2 0.0035 0.0248 -0.0096 981 HIS 65 HE2 0.0018 0.0258 -0.0140 982 HIS 65 ND1 0.0052 0.0255 0.0021 983 HIS 65 HD1 0.0052 0.0267 0.0076 984 HIS 65 CE1 0.0024 0.0276 -0.0023 985 HIS 65 HE1 -0.0005 0.0313 -0.0005 986 HIS 65 C 0.0050 0.0241 -0.0051 987 HIS 65 O 0.0068 0.0208 -0.0108 988 HIS 66 N 0.0094 0.0207 -0.0020 989 HIS 66 HN 0.0096 0.0218 -0.0018 990 HIS 66 CA 0.0086 0.0185 -0.0022 991 HIS 66 HA 0.0085 0.0186 -0.0021 992 HIS 66 CB 0.0063 0.0178 -0.0014 993 HIS 66 HB1 0.0058 0.0161 -0.0016 994 HIS 66 HB2 0.0064 0.0176 -0.0015 995 HIS 66 CD2 0.0029 0.0199 0.0004 996 HIS 66 HD2 0.0023 0.0193 0.0005 997 HIS 66 CG 0.0047 0.0193 -0.0005 998 HIS 66 NE2 0.0020 0.0214 0.0010 999 HIS 66 HE2 0.0006 0.0220 0.0017 1000 HIS 66 ND1 0.0049 0.0205 -0.0003 1001 HIS 66 HD1 0.0060 0.0204 -0.0007 1002 HIS 66 CE1 0.0032 0.0217 0.0006 1003 HIS 66 HE1 0.0029 0.0228 0.0010 1004 HIS 66 C 0.0102 0.0167 -0.0032 1005 HIS 66 O 0.0119 0.0171 -0.0037 1006 LEU 67 N 0.0137 -0.0024 -0.0093 1007 LEU 67 HN 0.0122 -0.0008 -0.0109 1008 LEU 67 CA 0.0143 -0.0030 -0.0087 1009 LEU 67 HA 0.0154 -0.0031 -0.0060 1010 LEU 67 CB 0.0124 -0.0003 -0.0094 1011 LEU 67 HB1 0.0112 -0.0001 -0.0121 1012 LEU 67 HB2 0.0117 0.0019 -0.0078 1013 LEU 67 CG 0.0129 -0.0005 -0.0083 1014 LEU 67 HG 0.0133 -0.0023 -0.0103 1015 LEU 67 CD1 0.0148 -0.0015 -0.0048 1016 LEU 67 HD11 0.0163 -0.0040 -0.0049 1017 LEU 67 HD12 0.0147 -0.0000 -0.0027 1018 LEU 67 HD13 0.0150 -0.0013 -0.0040 1019 LEU 67 CD2 0.0110 0.0027 -0.0082 1020 LEU 67 HD21 0.0113 0.0026 -0.0076 1021 LEU 67 HD22 0.0106 0.0046 -0.0062 1022 LEU 67 HD23 0.0096 0.0035 -0.0108 1023 LEU 67 C 0.0156 -0.0063 -0.0106 1024 LEU 67 O 0.0148 -0.0069 -0.0138 1025 HIS 68 N 0.0163 -0.0063 -0.0084 1026 HIS 68 HN 0.0172 -0.0053 -0.0098 1027 HIS 68 CA 0.0138 -0.0086 -0.0053 1028 HIS 68 HA 0.0112 -0.0091 -0.0058 1029 HIS 68 CB 0.0121 -0.0089 -0.0056 1030 HIS 68 HB1 0.0146 -0.0084 -0.0052 1031 HIS 68 HB2 0.0104 -0.0079 -0.0085 1032 HIS 68 CD2 0.0088 -0.0125 -0.0006 1033 HIS 68 HD2 0.0107 -0.0122 -0.0002 1034 HIS 68 CG 0.0091 -0.0112 -0.0029 1035 HIS 68 NE2 0.0054 -0.0145 0.0014 1036 HIS 68 HE2 0.0046 -0.0159 0.0036 1037 HIS 68 ND1 0.0060 -0.0124 -0.0024 1038 HIS 68 HD1 0.0055 -0.0118 -0.0037 1039 HIS 68 CE1 0.0039 -0.0143 0.0002 1040 HIS 68 HE1 0.0013 -0.0157 0.0013 1041 HIS 68 C 0.0160 -0.0100 -0.0014 1042 HIS 68 O 0.0198 -0.0094 -0.0005 1043 GLY 69 N 0.0083 -0.0208 0.0171 1044 GLY 69 HN 0.0008 -0.0139 0.0204 1045 GLY 69 CA 0.0128 -0.0242 0.0281 1046 GLY 69 HA1 0.0085 -0.0196 0.0397 1047 GLY 69 HA2 0.0226 -0.0330 0.0292 1048 GLY 69 C 0.0100 -0.0220 0.0222 1049 GLY 69 O 0.0177 -0.0289 0.0229 1050 ASP 70 N 0.0165 -0.0129 0.0137 1051 ASP 70 HN 0.0163 -0.0094 0.0160 1052 ASP 70 CA 0.0142 -0.0103 0.0068 1053 ASP 70 HA 0.0145 -0.0114 0.0072 1054 ASP 70 CB 0.0120 -0.0015 0.0060 1055 ASP 70 HB1 0.0103 0.0008 0.0013 1056 ASP 70 HB2 0.0113 -0.0000 0.0049 1057 ASP 70 CG 0.0129 0.0027 0.0135 1058 ASP 70 OD1 0.0134 0.0025 0.0153 1059 ASP 70 OD2 0.0132 0.0058 0.0178 1060 ASP 70 C 0.0134 -0.0146 -0.0005 1061 ASP 70 O 0.0139 -0.0174 -0.0008 1062 HIS 71 N -0.0015 -0.0060 0.0058 1063 HIS 71 HN -0.0021 -0.0044 0.0081 1064 HIS 71 CA -0.0014 -0.0081 0.0001 1065 HIS 71 HA 0.0001 -0.0099 0.0005 1066 HIS 71 CB -0.0054 -0.0044 -0.0035 1067 HIS 71 HB1 -0.0053 -0.0059 -0.0078 1068 HIS 71 HB2 -0.0072 -0.0023 -0.0041 1069 HIS 71 CD2 -0.0102 0.0034 0.0013 1070 HIS 71 HD2 -0.0121 0.0058 0.0013 1071 HIS 71 CG -0.0071 -0.0012 -0.0007 1072 HIS 71 NE2 -0.0105 0.0046 0.0035 1073 HIS 71 HE2 -0.0125 0.0077 0.0054 1074 HIS 71 ND1 -0.0055 -0.0029 0.0001 1075 HIS 71 HD1 -0.0032 -0.0062 -0.0010 1076 HIS 71 CE1 -0.0077 0.0007 0.0027 1077 HIS 71 HE1 -0.0072 0.0006 0.0040 1078 HIS 71 C 0.0006 -0.0117 -0.0032 1079 HIS 71 O -0.0011 -0.0112 -0.0076 1080 SER 72 N 0.0109 -0.0077 0.0044 1081 SER 72 HN 0.0109 -0.0076 0.0043 1082 SER 72 CA 0.0110 -0.0073 0.0040 1083 SER 72 HA 0.0110 -0.0074 0.0043 1084 SER 72 CB 0.0109 -0.0074 0.0030 1085 SER 72 HB1 0.0110 -0.0071 0.0027 1086 SER 72 HB2 0.0110 -0.0072 0.0027 1087 SER 72 OG 0.0105 -0.0083 0.0029 1088 SER 72 HG1 0.0104 -0.0085 0.0029 1089 SER 72 C 0.0114 -0.0064 0.0041 1090 SER 72 O 0.0116 -0.0059 0.0036 1091 LEU 73 N 0.0128 -0.0037 0.0055 1092 LEU 73 HN 0.0131 -0.0045 0.0055 1093 LEU 73 CA 0.0133 -0.0039 0.0055 1094 LEU 73 HA 0.0128 -0.0029 0.0055 1095 LEU 73 CB 0.0126 -0.0056 0.0056 1096 LEU 73 HB1 0.0128 -0.0057 0.0056 1097 LEU 73 HB2 0.0134 -0.0067 0.0056 1098 LEU 73 CG 0.0107 -0.0060 0.0058 1099 LEU 73 HG 0.0105 -0.0060 0.0058 1100 LEU 73 CD1 0.0103 -0.0078 0.0059 1101 LEU 73 HD11 0.0090 -0.0081 0.0060 1102 LEU 73 HD12 0.0111 -0.0088 0.0059 1103 LEU 73 HD13 0.0105 -0.0079 0.0059 1104 LEU 73 CD2 0.0096 -0.0047 0.0058 1105 LEU 73 HD21 0.0098 -0.0035 0.0057 1106 LEU 73 HD22 0.0082 -0.0051 0.0059 1107 LEU 73 HD23 0.0097 -0.0047 0.0058 1108 LEU 73 C 0.0152 -0.0040 0.0054 1109 LEU 73 O 0.0161 -0.0047 0.0053 1110 PHE 74 N 0.0085 0.0016 0.0080 1111 PHE 74 HN 0.0093 0.0006 0.0083 1112 PHE 74 CA 0.0077 0.0012 0.0064 1113 PHE 74 HA 0.0069 0.0023 0.0062 1114 PHE 74 CB 0.0074 0.0005 0.0051 1115 PHE 74 HB1 0.0069 0.0001 0.0039 1116 PHE 74 HB2 0.0082 -0.0005 0.0054 1117 PHE 74 CG 0.0066 0.0017 0.0051 1118 PHE 74 CD1 0.0071 0.0019 0.0061 1119 PHE 74 HD1 0.0081 0.0011 0.0069 1120 PHE 74 CE1 0.0063 0.0030 0.0060 1121 PHE 74 HE1 0.0067 0.0031 0.0068 1122 PHE 74 CZ 0.0051 0.0039 0.0050 1123 PHE 74 HZ 0.0045 0.0047 0.0049 1124 PHE 74 CD2 0.0053 0.0026 0.0040 1125 PHE 74 HD2 0.0049 0.0025 0.0033 1126 PHE 74 CE2 0.0046 0.0037 0.0040 1127 PHE 74 HE2 0.0036 0.0044 0.0032 1128 PHE 74 C 0.0083 0.0000 0.0061 1129 PHE 74 O 0.0094 -0.0009 0.0069 1130 HIS 75 N 0.0034 -0.0012 0.0065 1131 HIS 75 HN 0.0017 0.0009 0.0048 1132 HIS 75 CA 0.0055 -0.0044 0.0052 1133 HIS 75 HA 0.0073 -0.0066 0.0068 1134 HIS 75 CB 0.0052 -0.0038 0.0062 1135 HIS 75 HB1 0.0034 -0.0015 0.0046 1136 HIS 75 HB2 0.0052 -0.0032 0.0098 1137 HIS 75 CD2 0.0095 -0.0102 0.0034 1138 HIS 75 HD2 0.0103 -0.0116 0.0023 1139 HIS 75 CG 0.0073 -0.0069 0.0052 1140 HIS 75 NE2 0.0105 -0.0117 0.0032 1141 HIS 75 HE2 0.0121 -0.0141 0.0019 1142 HIS 75 ND1 0.0070 -0.0063 0.0061 1143 HIS 75 HD1 0.0056 -0.0041 0.0075 1144 HIS 75 CE1 0.0090 -0.0093 0.0049 1145 HIS 75 HE1 0.0093 -0.0098 0.0051 1146 HIS 75 C 0.0056 -0.0053 0.0004 1147 HIS 75 O 0.0038 -0.0031 -0.0023 1148 LEU 76 N -0.0044 -0.0049 -0.0031 1149 LEU 76 HN -0.0049 -0.0069 -0.0011 1150 LEU 76 CA -0.0031 -0.0048 -0.0061 1151 LEU 76 HA -0.0031 -0.0020 -0.0076 1152 LEU 76 CB -0.0035 -0.0058 -0.0048 1153 LEU 76 HB1 -0.0025 -0.0055 -0.0071 1154 LEU 76 HB2 -0.0032 -0.0089 -0.0037 1155 LEU 76 CG -0.0054 -0.0035 -0.0017 1156 LEU 76 HG -0.0063 -0.0038 0.0006 1157 LEU 76 CD1 -0.0056 -0.0051 -0.0004 1158 LEU 76 HD11 -0.0046 -0.0051 -0.0026 1159 LEU 76 HD12 -0.0070 -0.0034 0.0018 1160 LEU 76 HD13 -0.0054 -0.0082 0.0008 1161 LEU 76 CD2 -0.0058 0.0008 -0.0030 1162 LEU 76 HD21 -0.0056 0.0021 -0.0040 1163 LEU 76 HD22 -0.0071 0.0024 -0.0008 1164 LEU 76 HD23 -0.0048 0.0012 -0.0053 1165 LEU 76 C -0.0013 -0.0078 -0.0087 1166 LEU 76 O -0.0010 -0.0113 -0.0077 1167 GLU 77 N -0.0094 -0.0159 -0.0088 1168 GLU 77 HN -0.0110 -0.0140 -0.0101 1169 GLU 77 CA -0.0068 -0.0176 -0.0096 1170 GLU 77 HA -0.0054 -0.0195 -0.0077 1171 GLU 77 CB -0.0077 -0.0169 -0.0094 1172 GLU 77 HB1 -0.0056 -0.0183 -0.0101 1173 GLU 77 HB2 -0.0091 -0.0149 -0.0113 1174 GLU 77 CG -0.0096 -0.0171 -0.0055 1175 GLU 77 HG1 -0.0121 -0.0154 -0.0051 1176 GLU 77 HG2 -0.0087 -0.0188 -0.0035 1177 GLU 77 CD -0.0096 -0.0176 -0.0046 1178 GLU 77 OE1 -0.0110 -0.0158 -0.0061 1179 GLU 77 OE2 -0.0085 -0.0196 -0.0021 1180 GLU 77 C -0.0048 -0.0175 -0.0133 1181 GLU 77 O -0.0058 -0.0155 -0.0160 1182 HIS 78 N 0.0014 0.0059 -0.0159 1183 HIS 78 HN 0.0054 0.0104 -0.0137 1184 HIS 78 CA 0.0025 0.0022 -0.0200 1185 HIS 78 HA -0.0010 -0.0030 -0.0232 1186 HIS 78 CB 0.0115 0.0027 -0.0240 1187 HIS 78 HB1 0.0125 0.0012 -0.0260 1188 HIS 78 HB2 0.0153 0.0080 -0.0210 1189 HIS 78 CD2 0.0189 -0.0002 -0.0306 1190 HIS 78 HD2 0.0213 0.0045 -0.0274 1191 HIS 78 CG 0.0143 -0.0016 -0.0296 1192 HIS 78 NE2 0.0205 -0.0058 -0.0367 1193 HIS 78 HE2 0.0236 -0.0062 -0.0387 1194 HIS 78 ND1 0.0132 -0.0082 -0.0353 1195 HIS 78 HD1 0.0102 -0.0107 -0.0362 1196 HIS 78 CE1 0.0170 -0.0104 -0.0394 1197 HIS 78 HE1 0.0169 -0.0155 -0.0442 1198 HIS 78 C -0.0006 0.0046 -0.0161 1199 HIS 78 O 0.0015 0.0105 -0.0116 1200 HIS 79 N -0.0080 0.0184 -0.0179 1201 HIS 79 HN -0.0093 0.0164 -0.0201 1202 HIS 79 CA 0.0045 0.0332 0.0040 1203 HIS 79 HA 0.0024 0.0427 0.0011 1204 HIS 79 CB 0.0188 0.0139 0.0263 1205 HIS 79 HB1 0.0283 0.0266 0.0431 1206 HIS 79 HB2 0.0203 0.0025 0.0280 1207 HIS 79 CD2 0.0209 -0.0362 0.0261 1208 HIS 79 HD2 0.0209 -0.0498 0.0252 1209 HIS 79 CG 0.0194 -0.0077 0.0257 1210 HIS 79 NE2 0.0231 -0.0456 0.0292 1211 HIS 79 HE2 0.0246 -0.0655 0.0302 1212 HIS 79 ND1 0.0209 0.0012 0.0290 1213 HIS 79 HD1 0.0206 0.0210 0.0298 1214 HIS 79 CE1 0.0230 -0.0223 0.0308 1215 HIS 79 HE1 0.0245 -0.0229 0.0331 1216 HIS 79 C 0.0078 0.0559 0.0110 1217 HIS 79 O 0.0111 0.0501 0.0162 1218 GLY 80 N -0.0336 -0.0316 -0.0174 1219 GLY 80 HN -0.0490 -0.0352 -0.0326 1220 GLY 80 CA -0.0410 -0.0121 0.0110 1221 GLY 80 HA1 -0.0230 -0.0104 0.0245 1222 GLY 80 HA2 -0.0635 -0.0048 0.0098 1223 GLY 80 C -0.0429 -0.0041 0.0232 1224 GLY 80 O -0.0595 -0.0061 0.0100 1225 GLY 81 N -0.0096 -0.0494 -0.0240 1226 GLY 81 HN -0.0300 -0.0532 -0.0462 1227 GLY 81 CA 0.0007 -0.0556 -0.0179 1228 GLY 81 HA1 -0.0095 -0.0753 -0.0402 1229 GLY 81 HA2 0.0271 -0.0667 0.0009 1230 GLY 81 C -0.0118 -0.0192 -0.0071 1231 GLY 81 O -0.0014 -0.0185 0.0034 1232 LYS 82 N -0.0056 0.0144 -0.0116 1233 LYS 82 HN -0.0035 0.0160 -0.0079 1234 LYS 82 CA -0.0065 0.0055 -0.0122 1235 LYS 82 HA -0.0075 0.0045 -0.0140 1236 LYS 82 CB -0.0029 0.0009 -0.0046 1237 LYS 82 HB1 -0.0037 -0.0060 -0.0051 1238 LYS 82 HB2 -0.0019 0.0019 -0.0028 1239 LYS 82 CG 0.0005 0.0039 0.0015 1240 LYS 82 HG1 0.0011 0.0109 0.0018 1241 LYS 82 HG2 -0.0005 0.0024 -0.0001 1242 LYS 82 CD 0.0043 0.0001 0.0094 1243 LYS 82 HD1 0.0038 -0.0068 0.0094 1244 LYS 82 HD2 0.0049 0.0012 0.0105 1245 LYS 82 CE 0.0078 0.0041 0.0157 1246 LYS 82 HE1 0.0105 0.0013 0.0212 1247 LYS 82 HE2 0.0084 0.0111 0.0157 1248 LYS 82 NZ 0.0073 0.0029 0.0148 1249 LYS 82 HZ1 0.0067 -0.0035 0.0145 1250 LYS 82 HZ2 0.0049 0.0058 0.0099 1251 LYS 82 HZ3 0.0098 0.0053 0.0193 1252 LYS 82 C -0.0099 0.0016 -0.0181 1253 LYS 82 O -0.0102 0.0039 -0.0191 1254 VAL 83 N -0.0050 -0.0019 -0.0203 1255 VAL 83 HN -0.0058 -0.0029 -0.0210 1256 VAL 83 CA -0.0055 -0.0026 -0.0207 1257 VAL 83 HA -0.0048 -0.0017 -0.0193 1258 VAL 83 CB -0.0053 -0.0020 -0.0237 1259 VAL 83 HB -0.0040 -0.0002 -0.0241 1260 VAL 83 CG1 -0.0065 -0.0033 -0.0259 1261 VAL 83 HG11 -0.0062 -0.0027 -0.0281 1262 VAL 83 HG12 -0.0062 -0.0030 -0.0258 1263 VAL 83 HG13 -0.0079 -0.0051 -0.0257 1264 VAL 83 CG2 -0.0057 -0.0025 -0.0238 1265 VAL 83 HG21 -0.0054 -0.0019 -0.0259 1266 VAL 83 HG22 -0.0071 -0.0043 -0.0236 1267 VAL 83 HG23 -0.0049 -0.0016 -0.0221 1268 VAL 83 C -0.0074 -0.0050 -0.0198 1269 VAL 83 O -0.0085 -0.0065 -0.0204 1270 SER 84 N -0.0097 -0.0040 -0.0114 1271 SER 84 HN -0.0086 -0.0028 -0.0108 1272 SER 84 CA -0.0114 -0.0049 -0.0105 1273 SER 84 HA -0.0125 -0.0062 -0.0113 1274 SER 84 CB -0.0122 -0.0044 -0.0080 1275 SER 84 HB1 -0.0112 -0.0031 -0.0071 1276 SER 84 HB2 -0.0124 -0.0044 -0.0077 1277 SER 84 OG -0.0140 -0.0054 -0.0071 1278 SER 84 HG1 -0.0144 -0.0051 -0.0056 1279 SER 84 C -0.0109 -0.0048 -0.0110 1280 SER 84 O -0.0094 -0.0035 -0.0110 1281 ILE 85 N -0.0053 0.0012 -0.0086 1282 ILE 85 HN -0.0063 0.0018 -0.0097 1283 ILE 85 CA -0.0048 0.0019 -0.0067 1284 ILE 85 HA -0.0037 0.0011 -0.0057 1285 ILE 85 CB -0.0051 0.0021 -0.0069 1286 ILE 85 HB -0.0062 0.0032 -0.0077 1287 ILE 85 CG2 -0.0044 0.0027 -0.0048 1288 ILE 85 HG21 -0.0045 0.0027 -0.0050 1289 ILE 85 HG22 -0.0049 0.0041 -0.0040 1290 ILE 85 HG23 -0.0032 0.0016 -0.0040 1291 ILE 85 CG1 -0.0045 0.0003 -0.0083 1292 ILE 85 HG11 -0.0047 0.0005 -0.0084 1293 ILE 85 HG12 -0.0052 0.0000 -0.0098 1294 ILE 85 CD -0.0030 -0.0014 -0.0075 1295 ILE 85 HD1 -0.0027 -0.0027 -0.0086 1296 ILE 85 HD2 -0.0023 -0.0013 -0.0061 1297 ILE 85 HD3 -0.0027 -0.0016 -0.0072 1298 ILE 85 C -0.0057 0.0038 -0.0058 1299 ILE 85 O -0.0070 0.0051 -0.0067 1300 LYS 86 N -0.0020 0.0021 -0.0049 1301 LYS 86 HN -0.0009 0.0009 -0.0040 1302 LYS 86 CA -0.0021 0.0060 -0.0047 1303 LYS 86 HA -0.0029 0.0070 -0.0053 1304 LYS 86 CB -0.0040 0.0075 -0.0062 1305 LYS 86 HB1 -0.0060 0.0062 -0.0079 1306 LYS 86 HB2 -0.0043 0.0104 -0.0063 1307 LYS 86 CG -0.0030 0.0069 -0.0054 1308 LYS 86 HG1 -0.0011 0.0083 -0.0037 1309 LYS 86 HG2 -0.0025 0.0040 -0.0052 1310 LYS 86 CD -0.0052 0.0081 -0.0072 1311 LYS 86 HD1 -0.0070 0.0064 -0.0087 1312 LYS 86 HD2 -0.0059 0.0109 -0.0075 1313 LYS 86 CE -0.0044 0.0078 -0.0065 1314 LYS 86 HE1 -0.0027 0.0097 -0.0050 1315 LYS 86 HE2 -0.0036 0.0051 -0.0060 1316 LYS 86 NZ -0.0067 0.0086 -0.0084 1317 LYS 86 HZ1 -0.0083 0.0100 -0.0096 1318 LYS 86 HZ2 -0.0075 0.0061 -0.0092 1319 LYS 86 HZ3 -0.0062 0.0098 -0.0079 1320 LYS 86 C 0.0007 0.0074 -0.0023 1321 LYS 86 O 0.0027 0.0055 -0.0008 1322 GLY 87 N 0.0042 0.0042 -0.0071 1323 GLY 87 HN 0.0054 0.0048 -0.0083 1324 GLY 87 CA 0.0046 0.0045 -0.0069 1325 GLY 87 HA1 0.0062 0.0055 -0.0060 1326 GLY 87 HA2 0.0031 0.0037 -0.0058 1327 GLY 87 C 0.0048 0.0043 -0.0096 1328 GLY 87 O 0.0042 0.0037 -0.0117 1329 HIS 88 N 0.0200 0.0055 -0.0336 1330 HIS 88 HN 0.0059 0.0136 -0.0367 1331 HIS 88 CA 0.0168 -0.0101 -0.0118 1332 HIS 88 HA 0.0339 -0.0207 -0.0071 1333 HIS 88 CB -0.0052 -0.0137 0.0042 1334 HIS 88 HB1 -0.0235 -0.0040 0.0012 1335 HIS 88 HB2 -0.0037 -0.0123 0.0016 1336 HIS 88 CD2 -0.0233 -0.0373 0.0440 1337 HIS 88 HD2 -0.0430 -0.0301 0.0450 1338 HIS 88 CG -0.0048 -0.0317 0.0272 1339 HIS 88 NE2 -0.0120 -0.0550 0.0608 1340 HIS 88 HE2 -0.0202 -0.0631 0.0756 1341 HIS 88 ND1 0.0180 -0.0455 0.0330 1342 HIS 88 HD1 0.0347 -0.0451 0.0238 1343 HIS 88 CE1 0.0126 -0.0592 0.0534 1344 HIS 88 HE1 0.0265 -0.0723 0.0631 1345 HIS 88 C 0.0155 -0.0107 -0.0105 1346 HIS 88 O 0.0076 0.0027 -0.0235 1347 HIS 89 N 0.0400 -0.0204 -0.0447 1348 HIS 89 HN 0.0667 0.0004 -0.0394 1349 HIS 89 CA -0.0004 -0.0099 -0.0177 1350 HIS 89 HA 0.0079 0.0191 0.0027 1351 HIS 89 CB -0.0314 -0.0269 -0.0179 1352 HIS 89 HB1 -0.0595 -0.0154 0.0043 1353 HIS 89 HB2 -0.0431 -0.0566 -0.0374 1354 HIS 89 CD2 -0.0031 -0.0422 -0.0435 1355 HIS 89 HD2 -0.0105 -0.0716 -0.0646 1356 HIS 89 CG -0.0098 -0.0192 -0.0213 1357 HIS 89 NE2 0.0150 -0.0207 -0.0337 1358 HIS 89 HE2 0.0222 -0.0290 -0.0438 1359 HIS 89 ND1 0.0039 0.0162 0.0021 1360 HIS 89 HD1 0.0031 0.0388 0.0213 1361 HIS 89 CE1 0.0187 0.0142 -0.0062 1362 HIS 89 HE1 0.0312 0.0374 0.0075 1363 HIS 89 C -0.0226 -0.0161 -0.0128 1364 HIS 89 O -0.0587 -0.0116 0.0071 1365 HIS 90 N -0.0091 -0.0044 -0.0106 1366 HIS 90 HN -0.0055 -0.0022 -0.0205 1367 HIS 90 CA -0.0069 0.0014 -0.0035 1368 HIS 90 HA -0.0009 0.0082 -0.0103 1369 HIS 90 CB -0.0054 0.0088 0.0115 1370 HIS 90 HB1 -0.0047 0.0116 0.0170 1371 HIS 90 HB2 -0.0108 0.0029 0.0186 1372 HIS 90 CD2 0.0044 0.0215 0.0052 1373 HIS 90 HD2 0.0005 0.0145 0.0020 1374 HIS 90 CG 0.0025 0.0202 0.0099 1375 HIS 90 NE2 0.0125 0.0339 0.0053 1376 HIS 90 HE2 0.0156 0.0375 0.0022 1377 HIS 90 ND1 0.0096 0.0321 0.0132 1378 HIS 90 HD1 0.0100 0.0345 0.0184 1379 HIS 90 CE1 0.0154 0.0400 0.0102 1380 HIS 90 HE1 0.0217 0.0500 0.0119 1381 HIS 90 C -0.0123 -0.0069 -0.0037 1382 HIS 90 O -0.0119 -0.0038 0.0039 1383 HIS 91 N -0.0042 0.0077 -0.0106 1384 HIS 91 HN -0.0073 0.0060 -0.0122 1385 HIS 91 CA -0.0017 0.0104 -0.0093 1386 HIS 91 HA 0.0022 0.0097 -0.0076 1387 HIS 91 CB -0.0031 0.0080 -0.0101 1388 HIS 91 HB1 -0.0009 0.0099 -0.0090 1389 HIS 91 HB2 -0.0070 0.0087 -0.0118 1390 HIS 91 CD2 -0.0047 -0.0021 -0.0116 1391 HIS 91 HD2 -0.0085 -0.0022 -0.0133 1392 HIS 91 CG -0.0019 0.0021 -0.0100 1393 HIS 91 NE2 -0.0018 -0.0066 -0.0105 1394 HIS 91 HE2 -0.0027 -0.0105 -0.0112 1395 HIS 91 ND1 0.0027 0.0004 -0.0080 1396 HIS 91 HD1 0.0056 0.0027 -0.0066 1397 HIS 91 CE1 0.0027 -0.0049 -0.0084 1398 HIS 91 HE1 0.0058 -0.0076 -0.0072 1399 HIS 91 C -0.0026 0.0164 -0.0093 1400 HIS 91 O -0.0065 0.0185 -0.0109 1401 TYR 92 N 0.0017 0.0165 -0.0016 1402 TYR 92 HN 0.0016 0.0180 -0.0033 1403 TYR 92 CA 0.0005 0.0134 -0.0001 1404 TYR 92 HA 0.0003 0.0117 0.0013 1405 TYR 92 CB -0.0022 0.0121 -0.0027 1406 TYR 92 HB1 -0.0029 0.0100 -0.0016 1407 TYR 92 HB2 -0.0021 0.0140 -0.0045 1408 TYR 92 CG -0.0041 0.0111 -0.0045 1409 TYR 92 CD1 -0.0044 0.0132 -0.0071 1410 TYR 92 HD1 -0.0031 0.0157 -0.0078 1411 TYR 92 CE1 -0.0062 0.0122 -0.0088 1412 TYR 92 HE1 -0.0063 0.0139 -0.0107 1413 TYR 92 CZ -0.0078 0.0089 -0.0078 1414 TYR 92 OH -0.0096 0.0079 -0.0093 1415 TYR 92 HH -0.0104 0.0056 -0.0082 1416 TYR 92 CD2 -0.0059 0.0078 -0.0037 1417 TYR 92 HD2 -0.0058 0.0061 -0.0017 1418 TYR 92 CE2 -0.0077 0.0067 -0.0053 1419 TYR 92 HE2 -0.0090 0.0042 -0.0046 1420 TYR 92 C 0.0022 0.0136 0.0023 1421 TYR 92 O 0.0033 0.0157 0.0016 1422 ILE 93 N 0.0016 0.0103 -0.0001 1423 ILE 93 HN 0.0014 0.0101 -0.0001 1424 ILE 93 CA 0.0028 0.0087 0.0007 1425 ILE 93 HA 0.0038 0.0094 0.0005 1426 ILE 93 CB 0.0042 0.0078 0.0013 1427 ILE 93 HB 0.0032 0.0070 0.0014 1428 ILE 93 CG2 0.0056 0.0094 0.0008 1429 ILE 93 HG21 0.0067 0.0087 0.0012 1430 ILE 93 HG22 0.0066 0.0103 0.0006 1431 ILE 93 HG23 0.0046 0.0104 0.0003 1432 ILE 93 CG1 0.0056 0.0062 0.0021 1433 ILE 93 HG11 0.0068 0.0069 0.0020 1434 ILE 93 HG12 0.0046 0.0051 0.0024 1435 ILE 93 CD 0.0066 0.0049 0.0028 1436 ILE 93 HD1 0.0054 0.0041 0.0029 1437 ILE 93 HD2 0.0076 0.0038 0.0034 1438 ILE 93 HD3 0.0077 0.0058 0.0026 1439 ILE 93 C 0.0013 0.0072 0.0010 1440 ILE 93 O -0.0001 0.0063 0.0012 1441 SER 94 N 0.0066 0.0057 0.0046 1442 SER 94 HN 0.0074 0.0052 0.0040 1443 SER 94 CA 0.0037 0.0038 0.0057 1444 SER 94 HA 0.0030 0.0045 0.0063 1445 SER 94 CB 0.0014 0.0043 0.0072 1446 SER 94 HB1 0.0018 0.0032 0.0066 1447 SER 94 HB2 0.0015 0.0070 0.0078 1448 SER 94 OG -0.0016 0.0033 0.0086 1449 SER 94 HG1 -0.0019 0.0009 0.0082 1450 SER 94 C 0.0039 0.0000 0.0047 1451 SER 94 O 0.0051 -0.0013 0.0036 1452 ALA 95 N 0.0000 -0.0075 -0.0012 1453 ALA 95 HN 0.0002 -0.0059 0.0002 1454 ALA 95 CA -0.0004 -0.0100 -0.0030 1455 ALA 95 HA -0.0003 -0.0113 -0.0048 1456 ALA 95 CB 0.0011 -0.0088 -0.0045 1457 ALA 95 HB1 0.0009 -0.0075 -0.0027 1458 ALA 95 HB2 0.0008 -0.0107 -0.0059 1459 ALA 95 HB3 0.0027 -0.0074 -0.0060 1460 ALA 95 C -0.0027 -0.0119 -0.0010 1461 ALA 95 O -0.0034 -0.0108 0.0014 1462 ASP 96 N -0.0007 -0.0147 0.0036 1463 ASP 96 HN -0.0016 -0.0158 0.0014 1464 ASP 96 CA -0.0041 -0.0169 0.0042 1465 ASP 96 HA -0.0041 -0.0162 0.0083 1466 ASP 96 CB -0.0089 -0.0205 0.0034 1467 ASP 96 HB1 -0.0116 -0.0224 0.0037 1468 ASP 96 HB2 -0.0089 -0.0213 -0.0007 1469 ASP 96 CG -0.0106 -0.0208 0.0078 1470 ASP 96 OD1 -0.0142 -0.0235 0.0071 1471 ASP 96 OD2 -0.0083 -0.0185 0.0120 1472 ASP 96 C -0.0025 -0.0167 -0.0001 1473 ASP 96 O 0.0006 -0.0152 -0.0038 1474 HIS 97 N 0.0020 -0.0126 -0.0011 1475 HIS 97 HN 0.0017 -0.0139 0.0010 1476 HIS 97 CA 0.0017 -0.0128 0.0001 1477 HIS 97 HA 0.0014 -0.0095 -0.0001 1478 HIS 97 CB 0.0009 -0.0146 0.0046 1479 HIS 97 HB1 0.0007 -0.0146 0.0054 1480 HIS 97 HB2 0.0012 -0.0180 0.0049 1481 HIS 97 CD2 -0.0012 -0.0083 0.0097 1482 HIS 97 HD2 -0.0013 -0.0064 0.0091 1483 HIS 97 CG -0.0003 -0.0120 0.0078 1484 HIS 97 NE2 -0.0020 -0.0074 0.0124 1485 HIS 97 HE2 -0.0027 -0.0046 0.0138 1486 HIS 97 ND1 -0.0005 -0.0134 0.0094 1487 HIS 97 HD1 0.0001 -0.0161 0.0087 1488 HIS 97 CE1 -0.0015 -0.0106 0.0122 1489 HIS 97 HE1 -0.0019 -0.0106 0.0140 1490 HIS 97 C 0.0028 -0.0155 -0.0028 1491 HIS 97 O 0.0028 -0.0148 -0.0031 1492 HIS 98 N 0.0143 -0.0214 -0.0051 1493 HIS 98 HN 0.0151 -0.0250 -0.0057 1494 HIS 98 CA 0.0071 -0.0107 0.0019 1495 HIS 98 HA 0.0037 -0.0123 0.0059 1496 HIS 98 CB 0.0108 0.0035 -0.0036 1497 HIS 98 HB1 0.0144 0.0052 -0.0078 1498 HIS 98 HB2 0.0157 0.0041 -0.0091 1499 HIS 98 CD2 0.0014 0.0261 0.0048 1500 HIS 98 HD2 0.0044 0.0295 0.0012 1501 HIS 98 CG 0.0036 0.0149 0.0034 1502 HIS 98 NE2 -0.0058 0.0328 0.0122 1503 HIS 98 HE2 -0.0090 0.0416 0.0150 1504 HIS 98 ND1 -0.0022 0.0145 0.0099 1505 HIS 98 HD1 -0.0021 0.0073 0.0105 1506 HIS 98 CE1 -0.0077 0.0254 0.0150 1507 HIS 98 HE1 -0.0129 0.0283 0.0206 1508 HIS 98 C 0.0001 -0.0113 0.0097 1509 HIS 98 O 0.0022 -0.0167 0.0080 1510 GLY 99 N -0.0143 -0.0150 -0.0026 1511 GLY 99 HN -0.0132 -0.0093 -0.0108 1512 GLY 99 CA -0.0227 -0.0227 -0.0051 1513 GLY 99 HA1 -0.0270 -0.0313 0.0021 1514 GLY 99 HA2 -0.0280 -0.0224 -0.0161 1515 GLY 99 C -0.0187 -0.0195 -0.0032 1516 GLY 99 O -0.0094 -0.0099 -0.0021 1517 HIS 100 N -0.0110 -0.0132 -0.0090 1518 HIS 100 HN -0.0161 -0.0124 -0.0089 1519 HIS 100 CA -0.0069 -0.0131 -0.0029 1520 HIS 100 HA -0.0031 -0.0139 -0.0048 1521 HIS 100 CB -0.0117 -0.0117 0.0022 1522 HIS 100 HB1 -0.0086 -0.0116 0.0068 1523 HIS 100 HB2 -0.0157 -0.0108 0.0042 1524 HIS 100 CD2 -0.0126 -0.0124 -0.0045 1525 HIS 100 HD2 -0.0073 -0.0134 -0.0061 1526 HIS 100 CG -0.0152 -0.0115 -0.0010 1527 HIS 100 NE2 -0.0182 -0.0116 -0.0057 1528 HIS 100 HE2 -0.0180 -0.0119 -0.0079 1529 HIS 100 ND1 -0.0223 -0.0103 0.0000 1530 HIS 100 HD1 -0.0256 -0.0094 0.0025 1531 HIS 100 CE1 -0.0238 -0.0104 -0.0029 1532 HIS 100 HE1 -0.0290 -0.0096 -0.0028 1533 HIS 100 C -0.0030 -0.0131 0.0017 1534 HIS 100 O -0.0058 -0.0124 0.0039 1535 VAL 101 N 0.0009 -0.0068 -0.0020 1536 VAL 101 HN 0.0033 -0.0077 -0.0033 1537 VAL 101 CA 0.0019 -0.0041 0.0003 1538 VAL 101 HA -0.0001 -0.0042 0.0006 1539 VAL 101 CB 0.0062 -0.0041 -0.0005 1540 VAL 101 HB 0.0083 -0.0044 -0.0011 1541 VAL 101 CG1 0.0079 -0.0013 0.0019 1542 VAL 101 HG11 0.0080 0.0007 0.0038 1543 VAL 101 HG12 0.0061 -0.0010 0.0025 1544 VAL 101 HG13 0.0111 -0.0015 0.0011 1545 VAL 101 CG2 0.0063 -0.0068 -0.0031 1546 VAL 101 HG21 0.0043 -0.0066 -0.0025 1547 VAL 101 HG22 0.0053 -0.0089 -0.0049 1548 VAL 101 HG23 0.0094 -0.0069 -0.0037 1549 VAL 101 C 0.0014 -0.0012 0.0031 1550 VAL 101 O 0.0020 -0.0010 0.0032 1551 SER 102 N 0.0080 0.0078 0.0103 1552 SER 102 HN 0.0066 0.0074 0.0102 1553 SER 102 CA 0.0079 0.0111 0.0112 1554 SER 102 HA 0.0101 0.0114 0.0111 1555 SER 102 CB 0.0047 0.0116 0.0115 1556 SER 102 HB1 0.0045 0.0096 0.0109 1557 SER 102 HB2 0.0049 0.0139 0.0121 1558 SER 102 OG 0.0016 0.0116 0.0116 1559 SER 102 HG1 0.0008 0.0094 0.0110 1560 SER 102 C 0.0082 0.0138 0.0119 1561 SER 102 O 0.0100 0.0134 0.0117 1562 THR 103 N 0.0076 0.0213 0.0126 1563 THR 103 HN 0.0087 0.0210 0.0126 1564 THR 103 CA 0.0066 0.0214 0.0113 1565 THR 103 HA 0.0055 0.0218 0.0118 1566 THR 103 CB 0.0063 0.0213 0.0099 1567 THR 103 HB 0.0058 0.0215 0.0104 1568 THR 103 OG1 0.0052 0.0215 0.0087 1569 THR 103 HG1 0.0049 0.0214 0.0081 1570 THR 103 CG2 0.0078 0.0207 0.0090 1571 THR 103 HG21 0.0075 0.0207 0.0081 1572 THR 103 HG22 0.0086 0.0206 0.0099 1573 THR 103 HG23 0.0083 0.0205 0.0085 1574 THR 103 C 0.0074 0.0211 0.0108 1575 THR 103 O 0.0088 0.0207 0.0108 1576 LYS 104 N 0.0150 0.0183 0.0071 1577 LYS 104 HN 0.0122 0.0171 0.0076 1578 LYS 104 CA 0.0137 0.0208 0.0030 1579 LYS 104 HA 0.0175 0.0231 0.0015 1580 LYS 104 CB 0.0117 0.0193 0.0042 1581 LYS 104 HB1 0.0150 0.0185 0.0069 1582 LYS 104 HB2 0.0114 0.0215 0.0010 1583 LYS 104 CG 0.0062 0.0162 0.0061 1584 LYS 104 HG1 0.0027 0.0171 0.0032 1585 LYS 104 HG2 0.0062 0.0142 0.0089 1586 LYS 104 CD 0.0052 0.0143 0.0083 1587 LYS 104 HD1 0.0084 0.0131 0.0115 1588 LYS 104 HD2 0.0058 0.0164 0.0056 1589 LYS 104 CE -0.0006 0.0115 0.0096 1590 LYS 104 HE1 -0.0038 0.0128 0.0064 1591 LYS 104 HE2 -0.0012 0.0093 0.0124 1592 LYS 104 NZ -0.0017 0.0099 0.0114 1593 LYS 104 HZ1 -0.0060 0.0091 0.0105 1594 LYS 104 HZ2 0.0002 0.0116 0.0098 1595 LYS 104 HZ3 -0.0008 0.0076 0.0151 1596 LYS 104 C 0.0096 0.0223 -0.0010 1597 LYS 104 O 0.0068 0.0208 -0.0002 1598 GLU 105 N -0.0010 0.0309 -0.0136 1599 GLU 105 HN -0.0048 0.0323 -0.0137 1600 GLU 105 CA 0.0088 0.0193 -0.0063 1601 GLU 105 HA 0.0072 0.0161 -0.0032 1602 GLU 105 CB 0.0052 0.0094 0.0030 1603 GLU 105 HB1 0.0068 0.0124 0.0001 1604 GLU 105 HB2 -0.0072 0.0087 0.0071 1605 GLU 105 CG 0.0151 -0.0033 0.0111 1606 GLU 105 HG1 0.0139 -0.0062 0.0139 1607 GLU 105 HG2 0.0274 -0.0033 0.0077 1608 GLU 105 CD 0.0099 -0.0129 0.0207 1609 GLU 105 OE1 0.0004 -0.0191 0.0286 1610 GLU 105 OE2 0.0157 -0.0141 0.0202 1611 GLU 105 C 0.0255 0.0210 -0.0124 1612 GLU 105 O 0.0294 0.0270 -0.0186 1613 HIS 106 N 0.0039 0.0207 0.0045 1614 HIS 106 HN 0.0039 0.0160 0.0141 1615 HIS 106 CA 0.0169 0.0156 -0.0057 1616 HIS 106 HA 0.0235 0.0071 0.0015 1617 HIS 106 CB 0.0190 0.0174 -0.0127 1618 HIS 106 HB1 0.0296 0.0125 -0.0193 1619 HIS 106 HB2 0.0127 0.0259 -0.0204 1620 HIS 106 CD2 0.0069 0.0194 0.0024 1621 HIS 106 HD2 -0.0008 0.0280 -0.0032 1622 HIS 106 CG 0.0163 0.0137 -0.0007 1623 HIS 106 NE2 0.0082 0.0122 0.0152 1624 HIS 106 HE2 0.0013 0.0142 0.0220 1625 HIS 106 ND1 0.0239 0.0029 0.0096 1626 HIS 106 HD1 0.0316 -0.0032 0.0099 1627 HIS 106 CE1 0.0186 0.0024 0.0191 1628 HIS 106 HE1 0.0218 -0.0049 0.0290 1629 HIS 106 C 0.0222 0.0174 -0.0179 1630 HIS 106 O 0.0151 0.0262 -0.0249 1631 HIS 107 N -0.0033 0.0105 -0.0021 1632 HIS 107 HN -0.0048 0.0111 -0.0043 1633 HIS 107 CA -0.0049 0.0062 0.0006 1634 HIS 107 HA -0.0026 0.0056 0.0037 1635 HIS 107 CB -0.0083 0.0034 -0.0002 1636 HIS 107 HB1 -0.0105 0.0044 -0.0035 1637 HIS 107 HB2 -0.0071 0.0039 0.0007 1638 HIS 107 CD2 -0.0141 -0.0032 0.0006 1639 HIS 107 HD2 -0.0161 -0.0024 -0.0024 1640 HIS 107 CG -0.0105 -0.0010 0.0021 1641 HIS 107 NE2 -0.0146 -0.0070 0.0039 1642 HIS 107 HE2 -0.0168 -0.0094 0.0040 1643 HIS 107 ND1 -0.0088 -0.0033 0.0062 1644 HIS 107 HD1 -0.0063 -0.0024 0.0080 1645 HIS 107 CE1 -0.0114 -0.0069 0.0072 1646 HIS 107 HE1 -0.0110 -0.0095 0.0103 1647 HIS 107 C -0.0065 0.0050 0.0002 1648 HIS 107 O -0.0083 0.0064 -0.0031 1649 ASP 108 N -0.0067 0.0016 0.0125 1650 ASP 108 HN -0.0056 0.0015 0.0112 1651 ASP 108 CA -0.0075 -0.0011 0.0167 1652 ASP 108 HA -0.0100 0.0001 0.0182 1653 ASP 108 CB -0.0041 -0.0045 0.0167 1654 ASP 108 HB1 -0.0016 -0.0061 0.0156 1655 ASP 108 HB2 -0.0033 -0.0035 0.0145 1656 ASP 108 CG -0.0047 -0.0073 0.0207 1657 ASP 108 OD1 -0.0076 -0.0069 0.0239 1658 ASP 108 OD2 -0.0020 -0.0098 0.0206 1659 ASP 108 C -0.0083 -0.0021 0.0188 1660 ASP 108 O -0.0076 -0.0012 0.0170 1661 HIS 109 N -0.0022 -0.0164 0.0270 1662 HIS 109 HN 0.0005 -0.0194 0.0304 1663 HIS 109 CA -0.0015 -0.0041 0.0170 1664 HIS 109 HA -0.0001 -0.0020 0.0158 1665 HIS 109 CB 0.0113 0.0032 0.0151 1666 HIS 109 HB1 0.0099 0.0122 0.0072 1667 HIS 109 HB2 0.0123 -0.0006 0.0185 1668 HIS 109 CD2 0.0371 -0.0002 0.0260 1669 HIS 109 HD2 0.0400 -0.0045 0.0305 1670 HIS 109 CG 0.0249 0.0035 0.0190 1671 HIS 109 NE2 0.0465 0.0021 0.0270 1672 HIS 109 HE2 0.0563 0.0002 0.0316 1673 HIS 109 ND1 0.0267 0.0083 0.0157 1674 HIS 109 HD1 0.0193 0.0116 0.0106 1675 HIS 109 CE1 0.0398 0.0071 0.0208 1676 HIS 109 HE1 0.0441 0.0098 0.0199 1677 HIS 109 C -0.0156 -0.0004 0.0096 1678 HIS 109 O -0.0185 0.0083 0.0015 1679 ASP 110 N -0.0061 -0.0019 0.0156 1680 ASP 110 HN -0.0070 -0.0027 0.0186 1681 ASP 110 CA -0.0056 -0.0060 0.0114 1682 ASP 110 HA -0.0057 -0.0076 0.0110 1683 ASP 110 CB -0.0065 -0.0106 0.0124 1684 ASP 110 HB1 -0.0059 -0.0134 0.0089 1685 ASP 110 HB2 -0.0065 -0.0088 0.0132 1686 ASP 110 CG -0.0081 -0.0142 0.0168 1687 ASP 110 OD1 -0.0086 -0.0137 0.0190 1688 ASP 110 OD2 -0.0088 -0.0177 0.0178 1689 ASP 110 C -0.0040 -0.0039 0.0061 1690 ASP 110 O -0.0032 -0.0062 0.0019 1691 THR 111 N -0.0062 -0.0013 0.0032 1692 THR 111 HN -0.0078 -0.0004 0.0033 1693 THR 111 CA -0.0046 -0.0002 0.0020 1694 THR 111 HA -0.0028 -0.0013 0.0019 1695 THR 111 CB -0.0043 0.0021 0.0005 1696 THR 111 HB -0.0027 0.0027 -0.0004 1697 THR 111 OG1 -0.0064 0.0039 0.0003 1698 THR 111 HG1 -0.0065 0.0042 0.0002 1699 THR 111 CG2 -0.0037 0.0019 0.0004 1700 THR 111 HG21 -0.0052 0.0014 0.0013 1701 THR 111 HG22 -0.0034 0.0036 -0.0007 1702 THR 111 HG23 -0.0020 0.0007 0.0005 1703 THR 111 C -0.0056 0.0001 0.0022 1704 THR 111 O -0.0047 0.0013 0.0011 1705 THR 112 N -0.0116 -0.0031 -0.0037 1706 THR 112 HN -0.0112 -0.0033 -0.0032 1707 THR 112 CA -0.0107 -0.0010 -0.0039 1708 THR 112 HA -0.0114 -0.0009 -0.0046 1709 THR 112 CB -0.0088 -0.0006 -0.0021 1710 THR 112 HB -0.0080 -0.0006 -0.0014 1711 THR 112 OG1 -0.0085 -0.0023 -0.0010 1712 THR 112 HG1 -0.0089 -0.0037 -0.0007 1713 THR 112 CG2 -0.0079 0.0015 -0.0024 1714 THR 112 HG21 -0.0087 0.0015 -0.0031 1715 THR 112 HG22 -0.0066 0.0017 -0.0011 1716 THR 112 HG23 -0.0079 0.0030 -0.0031 1717 THR 112 C -0.0108 0.0008 -0.0049 1718 THR 112 O -0.0104 0.0008 -0.0045 1719 PHE 113 N -0.0073 0.0053 -0.0127 1720 PHE 113 HN -0.0073 0.0062 -0.0134 1721 PHE 113 CA -0.0070 0.0045 -0.0124 1722 PHE 113 HA -0.0072 0.0037 -0.0116 1723 PHE 113 CB -0.0059 0.0040 -0.0135 1724 PHE 113 HB1 -0.0057 0.0032 -0.0132 1725 PHE 113 HB2 -0.0058 0.0048 -0.0142 1726 PHE 113 CG -0.0052 0.0034 -0.0139 1727 PHE 113 CD1 -0.0046 0.0038 -0.0151 1728 PHE 113 HD1 -0.0045 0.0045 -0.0157 1729 PHE 113 CE1 -0.0039 0.0033 -0.0155 1730 PHE 113 HE1 -0.0034 0.0036 -0.0164 1731 PHE 113 CZ -0.0040 0.0023 -0.0147 1732 PHE 113 HZ -0.0036 0.0019 -0.0149 1733 PHE 113 CD2 -0.0053 0.0024 -0.0131 1734 PHE 113 HD2 -0.0058 0.0021 -0.0122 1735 PHE 113 CE2 -0.0047 0.0019 -0.0135 1736 PHE 113 HE2 -0.0048 0.0012 -0.0128 1737 PHE 113 C -0.0077 0.0053 -0.0122 1738 PHE 113 O -0.0082 0.0064 -0.0125 1739 GLU 114 N -0.0158 0.0147 -0.0167 1740 GLU 114 HN -0.0161 0.0179 -0.0167 1741 GLU 114 CA -0.0151 0.0068 -0.0166 1742 GLU 114 HA -0.0142 0.0040 -0.0147 1743 GLU 114 CB -0.0171 0.0036 -0.0241 1744 GLU 114 HB1 -0.0164 -0.0025 -0.0238 1745 GLU 114 HB2 -0.0178 0.0062 -0.0258 1746 GLU 114 CG -0.0190 0.0051 -0.0299 1747 GLU 114 HG1 -0.0199 0.0112 -0.0309 1748 GLU 114 HG2 -0.0182 0.0031 -0.0280 1749 GLU 114 CD -0.0208 0.0011 -0.0370 1750 GLU 114 OE1 -0.0222 0.0009 -0.0416 1751 GLU 114 OE2 -0.0208 -0.0017 -0.0378 1752 GLU 114 C -0.0133 0.0051 -0.0114 1753 GLU 114 O -0.0132 0.0099 -0.0095 1754 GLU 115 N -0.0115 0.0036 -0.0125 1755 GLU 115 HN -0.0168 0.0056 -0.0150 1756 GLU 115 CA -0.0097 0.0002 -0.0072 1757 GLU 115 HA -0.0038 0.0007 -0.0088 1758 GLU 115 CB -0.0165 0.0007 -0.0071 1759 GLU 115 HB1 -0.0159 -0.0023 -0.0025 1760 GLU 115 HB2 -0.0228 0.0008 -0.0065 1761 GLU 115 CG -0.0161 0.0049 -0.0139 1762 GLU 115 HG1 -0.0165 0.0080 -0.0188 1763 GLU 115 HG2 -0.0101 0.0046 -0.0143 1764 GLU 115 CD -0.0231 0.0054 -0.0138 1765 GLU 115 OE1 -0.0242 0.0021 -0.0084 1766 GLU 115 OE2 -0.0274 0.0091 -0.0192 1767 GLU 115 C -0.0085 -0.0047 0.0004 1768 GLU 115 O -0.0119 -0.0059 0.0028 1769 ILE 116 N -0.0050 -0.0060 0.0076 1770 ILE 116 HN -0.0021 -0.0050 0.0074 1771 ILE 116 CA -0.0045 -0.0103 0.0108 1772 ILE 116 HA -0.0075 -0.0110 0.0107 1773 ILE 116 CB 0.0008 -0.0106 0.0120 1774 ILE 116 HB 0.0038 -0.0094 0.0118 1775 ILE 116 CG2 0.0012 -0.0075 0.0098 1776 ILE 116 HG21 0.0004 -0.0043 0.0073 1777 ILE 116 HG22 0.0052 -0.0072 0.0104 1778 ILE 116 HG23 -0.0016 -0.0087 0.0102 1779 ILE 116 CG1 0.0017 -0.0151 0.0156 1780 ILE 116 HG11 -0.0013 -0.0163 0.0159 1781 ILE 116 HG12 0.0013 -0.0173 0.0171 1782 ILE 116 CD 0.0072 -0.0155 0.0169 1783 ILE 116 HD1 0.0103 -0.0143 0.0166 1784 ILE 116 HD2 0.0077 -0.0188 0.0194 1785 ILE 116 HD3 0.0078 -0.0135 0.0156 1786 ILE 116 C -0.0057 -0.0135 0.0130 1787 ILE 116 O -0.0035 -0.0129 0.0130 1788 ILE 117 N -0.0061 0.0133 0.0143 1789 ILE 117 HN -0.0074 0.0190 0.0037 1790 ILE 117 CA -0.0002 0.0004 0.0134 1791 ILE 117 HA 0.0022 -0.0075 0.0232 1792 ILE 117 CB 0.0052 -0.0073 -0.0025 1793 ILE 117 HB 0.0027 0.0011 -0.0129 1794 ILE 117 CG2 0.0108 -0.0192 -0.0047 1795 ILE 117 HG21 0.0148 -0.0251 -0.0160 1796 ILE 117 HG22 0.0086 -0.0140 -0.0058 1797 ILE 117 HG23 0.0133 -0.0275 0.0057 1798 ILE 117 CG1 0.0087 -0.0148 -0.0034 1799 ILE 117 HG11 0.0089 -0.0185 0.0089 1800 ILE 117 HG12 0.0141 -0.0250 -0.0105 1801 ILE 117 CD 0.0053 -0.0050 -0.0119 1802 ILE 117 HD1 -0.0000 0.0050 -0.0050 1803 ILE 117 HD2 0.0053 -0.0016 -0.0244 1804 ILE 117 HD3 0.0083 -0.0115 -0.0127 1805 ILE 117 C -0.0026 0.0049 0.0167 1806 ILE 117 O -0.0070 0.0163 0.0102 1807 ILE 118 N 0.0244 0.0201 0.0233 1808 ILE 118 HN 0.0290 0.0266 0.0253 1809 ILE 118 CA 0.0295 0.0424 -0.0143 1810 ILE 118 HA 0.0137 0.0104 0.0051 1811 ILE 118 CB 0.0166 0.0182 -0.0032 1812 ILE 118 HB 0.0230 0.0280 -0.0031 1813 ILE 118 CG2 0.0113 0.0167 -0.0212 1814 ILE 118 HG21 0.0088 0.0154 -0.0279 1815 ILE 118 HG22 0.0159 0.0262 -0.0273 1816 ILE 118 HG23 0.0051 0.0074 -0.0220 1817 ILE 118 CG1 0.0107 0.0061 0.0045 1818 ILE 118 HG11 0.0087 0.0058 -0.0031 1819 ILE 118 HG12 0.0152 0.0084 0.0166 1820 ILE 118 CD 0.0019 -0.0085 0.0068 1821 ILE 118 HD1 -0.0018 -0.0165 0.0126 1822 ILE 118 HD2 -0.0031 -0.0118 -0.0051 1823 ILE 118 HD3 0.0037 -0.0088 0.0147 1824 ILE 118 C 0.0266 0.0325 -0.0002 1825 ILE 118 OT1 0.0347 0.0443 0.0018 1826 ILE 118 OT2 0.0321 0.0352 0.0153