1 GLY 1 N 0.0278 0.0149 0.0304 2 GLY 1 CA 0.0352 0.0160 0.0362 3 GLY 1 C 0.0340 0.0126 0.0434 4 GLY 1 O 0.0285 0.0101 0.0430 5 ARG 2 N 0.0269 0.0204 0.0475 6 ARG 2 CA 0.0318 0.0189 0.0434 7 ARG 2 C 0.0293 0.0193 0.0447 8 ARG 2 O 0.0228 0.0185 0.0439 9 ARG 2 CB 0.0315 0.0154 0.0357 10 ARG 2 CG 0.0378 0.0139 0.0313 11 ARG 2 CD 0.0376 0.0104 0.0237 12 ARG 2 NE 0.0399 0.0100 0.0223 13 ARG 2 CZ 0.0430 0.0076 0.0166 14 ARG 2 NH1 0.0444 0.0053 0.0112 15 ARG 2 NH2 0.0448 0.0076 0.0163 16 ILE 3 N 0.0400 0.0125 0.0513 17 ILE 3 CA 0.0202 -0.0314 -0.0069 18 ILE 3 C 0.0136 -0.0075 0.0003 19 ILE 3 O -0.0027 0.0594 0.0233 20 ILE 3 CB -0.0311 -0.0241 -0.0743 21 ILE 3 CG1 -0.0194 -0.0632 -0.0847 22 ILE 3 CG2 -0.0579 -0.0574 -0.1351 23 ILE 3 CD1 -0.0689 -0.0498 -0.1454 24 ALA 4 N 0.0079 -0.0083 -0.0085 25 ALA 4 CA 0.0048 -0.0018 -0.0094 26 ALA 4 C -0.0008 0.0060 -0.0111 27 ALA 4 O -0.0076 0.0046 -0.0136 28 ALA 4 CB 0.0002 -0.0068 -0.0113 29 SER 5 N 0.0003 0.0018 -0.0077 30 SER 5 CA 0.0000 0.0070 -0.0092 31 SER 5 C -0.0015 0.0078 -0.0118 32 SER 5 O -0.0023 0.0117 -0.0140 33 SER 5 CB 0.0028 0.0104 -0.0054 34 SER 5 OG 0.0045 0.0090 -0.0025 35 ILE 6 N -0.0008 -0.0029 -0.0112 36 ILE 6 CA -0.0001 -0.0050 -0.0110 37 ILE 6 C 0.0015 -0.0061 -0.0129 38 ILE 6 O 0.0020 -0.0064 -0.0133 39 ILE 6 CB -0.0008 -0.0066 -0.0090 40 ILE 6 CG1 -0.0024 -0.0056 -0.0072 41 ILE 6 CG2 0.0001 -0.0089 -0.0089 42 ILE 6 CD1 -0.0033 -0.0067 -0.0052 43 PRO 7 N 0.0040 -0.0088 -0.0089 44 PRO 7 CA 0.0075 -0.0086 -0.0088 45 PRO 7 C 0.0069 -0.0086 -0.0088 46 PRO 7 O 0.0054 -0.0112 -0.0084 47 PRO 7 CB 0.0098 -0.0119 -0.0082 48 PRO 7 CG 0.0084 -0.0124 -0.0081 49 PRO 7 CD 0.0043 -0.0114 -0.0084 50 GLY 8 N 0.0069 -0.0057 -0.0087 51 GLY 8 CA 0.0050 -0.0042 -0.0089 52 GLY 8 C 0.0004 -0.0007 -0.0095 53 GLY 8 O -0.0009 0.0018 -0.0095 54 GLU 9 N -0.0011 -0.0026 -0.0121 55 GLU 9 CA -0.0039 -0.0009 -0.0111 56 GLU 9 C -0.0037 0.0022 -0.0100 57 GLU 9 O -0.0058 0.0029 -0.0094 58 GLU 9 CB -0.0043 -0.0005 -0.0109 59 GLU 9 CG -0.0073 0.0010 -0.0099 60 GLU 9 CD -0.0075 0.0011 -0.0098 61 GLU 9 OE1 -0.0053 0.0002 -0.0105 62 GLU 9 OE2 -0.0098 0.0023 -0.0090 63 ALA 10 N -0.0019 0.0025 -0.0117 64 ALA 10 CA -0.0006 0.0068 -0.0110 65 ALA 10 C 0.0011 0.0071 -0.0108 66 ALA 10 O 0.0001 0.0100 -0.0104 67 ALA 10 CB 0.0027 0.0083 -0.0104 68 GLU 11 N 0.0031 0.0059 -0.0078 69 GLU 11 CA 0.0044 0.0084 -0.0058 70 GLU 11 C 0.0025 0.0113 -0.0077 71 GLU 11 O 0.0028 0.0149 -0.0066 72 GLU 11 CB 0.0062 0.0053 -0.0041 73 GLU 11 CG 0.0081 0.0073 -0.0014 74 GLU 11 CD 0.0094 0.0041 -0.0004 75 GLU 11 OE1 0.0089 0.0004 -0.0015 76 GLU 11 OE2 0.0107 0.0055 0.0015 77 TYR 12 N -0.0005 0.0078 -0.0077 78 TYR 12 CA -0.0023 0.0097 -0.0094 79 TYR 12 C -0.0042 0.0110 -0.0115 80 TYR 12 O -0.0059 0.0121 -0.0135 81 TYR 12 CB -0.0028 0.0076 -0.0108 82 TYR 12 CG -0.0011 0.0071 -0.0087 83 TYR 12 CD1 -0.0010 0.0096 -0.0078 84 TYR 12 CD2 0.0004 0.0040 -0.0077 85 TYR 12 CE1 0.0006 0.0091 -0.0057 86 TYR 12 CE2 0.0021 0.0036 -0.0056 87 TYR 12 CZ 0.0022 0.0062 -0.0046 88 TYR 12 OH 0.0040 0.0058 -0.0023 89 LEU 13 N -0.0051 0.0095 -0.0117 90 LEU 13 CA -0.0065 0.0108 -0.0134 91 LEU 13 C -0.0059 0.0132 -0.0139 92 LEU 13 O -0.0043 0.0145 -0.0131 93 LEU 13 CB -0.0070 0.0111 -0.0139 94 LEU 13 CG -0.0088 0.0120 -0.0157 95 LEU 13 CD1 -0.0106 0.0105 -0.0166 96 LEU 13 CD2 -0.0090 0.0124 -0.0160 97 GLY 14 N -0.0059 0.0092 -0.0164 98 GLY 14 CA -0.0025 0.0077 -0.0174 99 GLY 14 C -0.0017 0.0101 -0.0154 100 GLY 14 O 0.0010 0.0091 -0.0160 101 ARG 15 N -0.0076 0.0206 -0.0116 102 ARG 15 CA -0.0075 0.0209 -0.0113 103 ARG 15 C -0.0077 0.0195 -0.0124 104 ARG 15 O -0.0073 0.0188 -0.0120 105 ARG 15 CB -0.0064 0.0207 -0.0095 106 ARG 15 CG -0.0060 0.0222 -0.0082 107 ARG 15 CD -0.0051 0.0222 -0.0066 108 ARG 15 NE -0.0042 0.0205 -0.0059 109 ARG 15 CZ -0.0034 0.0197 -0.0050 110 ARG 15 NH1 -0.0033 0.0203 -0.0045 111 ARG 15 NH2 -0.0026 0.0182 -0.0044 112 GLY 16 N -0.0086 0.0051 -0.0097 113 GLY 16 CA -0.0100 0.0042 -0.0072 114 GLY 16 C -0.0133 0.0040 -0.0077 115 GLY 16 O -0.0145 0.0037 -0.0068 116 VAL 17 N -0.0136 0.0020 -0.0106 117 VAL 17 CA -0.0142 0.0024 -0.0106 118 VAL 17 C -0.0148 0.0032 -0.0106 119 VAL 17 O -0.0144 0.0038 -0.0109 120 VAL 17 CB -0.0137 0.0027 -0.0108 121 VAL 17 CG1 -0.0144 0.0032 -0.0107 122 VAL 17 CG2 -0.0132 0.0019 -0.0107 123 SER 18 N -0.0199 -0.0015 -0.0080 124 SER 18 CA -0.0189 -0.0027 -0.0053 125 SER 18 C -0.0175 0.0001 -0.0033 126 SER 18 O -0.0171 0.0027 -0.0037 127 SER 18 CB -0.0186 -0.0052 -0.0034 128 SER 18 OG -0.0176 -0.0065 -0.0007 129 TYR 19 N -0.0135 -0.0023 -0.0014 130 TYR 19 CA -0.0167 -0.0009 -0.0005 131 TYR 19 C -0.0170 -0.0011 0.0003 132 TYR 19 O -0.0194 0.0003 0.0002 133 TYR 19 CB -0.0185 0.0014 -0.0033 134 TYR 19 CG -0.0182 0.0018 -0.0045 135 TYR 19 CD1 -0.0198 0.0019 -0.0027 136 TYR 19 CD2 -0.0162 0.0021 -0.0075 137 TYR 19 CE1 -0.0195 0.0023 -0.0038 138 TYR 19 CE2 -0.0159 0.0025 -0.0087 139 TYR 19 CZ -0.0176 0.0025 -0.0068 140 TYR 19 OH -0.0172 0.0029 -0.0080 141 CYS 20 N -0.0191 -0.0164 0.0029 142 CYS 20 CA -0.0111 -0.0214 0.0076 143 CYS 20 C -0.0081 -0.0209 0.0097 144 CYS 20 O -0.0102 -0.0266 0.0078 145 CYS 20 CB -0.0113 -0.0321 0.0065 146 CYS 20 SG -0.0011 -0.0379 0.0127 147 ALA 21 N -0.0056 -0.0178 0.0074 148 ALA 21 CA -0.0031 -0.0152 0.0084 149 ALA 21 C 0.0008 -0.0189 0.0090 150 ALA 21 O 0.0013 -0.0186 0.0092 151 ALA 21 CB -0.0005 -0.0101 0.0099 152 THR 22 N 0.0027 -0.0318 0.0113 153 THR 22 CA 0.0094 -0.0353 0.0091 154 THR 22 C 0.0071 -0.0395 0.0077 155 THR 22 O 0.0121 -0.0402 0.0069 156 THR 22 CB 0.0140 -0.0406 0.0064 157 THR 22 OG1 0.0087 -0.0462 0.0049 158 THR 22 CG2 0.0181 -0.0360 0.0078 159 CYS 23 N 0.0165 -0.0450 0.0042 160 CYS 23 CA 0.0063 -0.0532 0.0042 161 CYS 23 C -0.0028 -0.0356 0.0103 162 CYS 23 O 0.0017 -0.0334 0.0099 163 CYS 23 CB -0.0112 -0.0700 0.0036 164 CYS 23 SG -0.0174 -0.0885 0.0003 165 ASP 24 N -0.0027 -0.0252 0.0197 166 ASP 24 CA -0.0072 -0.0214 0.0200 167 ASP 24 C -0.0046 -0.0149 0.0205 168 ASP 24 O -0.0077 -0.0114 0.0208 169 ASP 24 CB -0.0134 -0.0200 0.0200 170 ASP 24 CG -0.0169 -0.0262 0.0195 171 ASP 24 OD1 -0.0150 -0.0316 0.0190 172 ASP 24 OD2 -0.0218 -0.0254 0.0195 173 GLY 25 N -0.0027 -0.0130 0.0130 174 GLY 25 CA -0.0021 -0.0108 0.0121 175 GLY 25 C -0.0015 -0.0058 0.0121 176 GLY 25 O -0.0016 -0.0036 0.0135 177 ALA 26 N -0.0026 0.0012 0.0106 178 ALA 26 CA -0.0061 0.0097 0.0090 179 ALA 26 C 0.0017 0.0114 0.0175 180 ALA 26 O -0.0002 0.0132 0.0159 181 ALA 26 CB -0.0108 0.0236 0.0072 182 PHE 27 N -0.0165 0.0102 -0.0037 183 PHE 27 CA -0.0002 0.0178 0.0236 184 PHE 27 C 0.0094 -0.0137 0.0206 185 PHE 27 O 0.0187 -0.0085 0.0367 186 PHE 27 CB 0.0220 0.0229 0.0578 187 PHE 27 CG 0.0128 0.0536 0.0609 188 PHE 27 CD1 0.0088 0.0437 0.0500 189 PHE 27 CD2 0.0086 0.0924 0.0754 190 PHE 27 CE1 0.0006 0.0711 0.0528 191 PHE 27 CE2 0.0005 0.1201 0.0786 192 PHE 27 CZ -0.0036 0.1095 0.0671 193 TYR 28 N 0.0047 -0.0094 0.0213 194 TYR 28 CA 0.0045 -0.0079 0.0212 195 TYR 28 C 0.0053 -0.0080 0.0227 196 TYR 28 O 0.0054 -0.0066 0.0231 197 TYR 28 CB 0.0043 -0.0057 0.0213 198 TYR 28 CG 0.0034 -0.0055 0.0197 199 TYR 28 CD1 0.0025 -0.0052 0.0180 200 TYR 28 CD2 0.0035 -0.0057 0.0198 201 TYR 28 CE1 0.0017 -0.0052 0.0164 202 TYR 28 CE2 0.0027 -0.0057 0.0182 203 TYR 28 CZ 0.0018 -0.0055 0.0166 204 TYR 28 OH 0.0010 -0.0056 0.0150 205 ARG 29 N 0.0085 -0.0055 0.0231 206 ARG 29 CA 0.0078 -0.0082 0.0252 207 ARG 29 C 0.0110 -0.0118 0.0279 208 ARG 29 O 0.0155 -0.0116 0.0276 209 ARG 29 CB 0.0086 -0.0063 0.0237 210 ARG 29 CG 0.0067 -0.0088 0.0257 211 ARG 29 CD 0.0077 -0.0071 0.0244 212 ARG 29 NE 0.0058 -0.0031 0.0213 213 ARG 29 CZ 0.0011 -0.0021 0.0207 214 ARG 29 NH1 -0.0023 -0.0048 0.0228 215 ARG 29 NH2 -0.0002 0.0016 0.0179 216 ASN 30 N 0.0118 -0.0182 0.0265 217 ASN 30 CA 0.0138 -0.0211 0.0297 218 ASN 30 C 0.0121 -0.0175 0.0207 219 ASN 30 O 0.0162 -0.0221 0.0184 220 ASN 30 CB 0.0222 -0.0318 0.0329 221 ASN 30 CG 0.0227 -0.0343 0.0448 222 ASN 30 OD1 0.0259 -0.0384 0.0456 223 ASN 30 ND2 0.0192 -0.0317 0.0547 224 ARG 31 N 0.0094 -0.0133 0.0248 225 ARG 31 CA 0.0092 -0.0111 0.0211 226 ARG 31 C 0.0074 -0.0072 0.0226 227 ARG 31 O 0.0062 -0.0056 0.0260 228 ARG 31 CB 0.0095 -0.0101 0.0173 229 ARG 31 CG 0.0114 -0.0140 0.0155 230 ARG 31 CD 0.0118 -0.0132 0.0112 231 ARG 31 NE 0.0136 -0.0171 0.0101 232 ARG 31 CZ 0.0151 -0.0202 0.0081 233 ARG 31 NH1 0.0153 -0.0200 0.0068 234 ARG 31 NH2 0.0166 -0.0236 0.0075 235 GLU 32 N 0.0027 -0.0029 0.0160 236 GLU 32 CA 0.0027 -0.0007 0.0163 237 GLU 32 C 0.0022 -0.0007 0.0157 238 GLU 32 O 0.0011 -0.0016 0.0144 239 GLU 32 CB 0.0016 0.0010 0.0153 240 GLU 32 CG 0.0021 0.0013 0.0158 241 GLU 32 CD 0.0030 0.0032 0.0171 242 GLU 32 OE1 0.0043 0.0027 0.0184 243 GLU 32 OE2 0.0025 0.0051 0.0168 244 VAL 33 N -0.0010 0.0003 0.0142 245 VAL 33 CA -0.0011 -0.0001 0.0141 246 VAL 33 C -0.0010 0.0012 0.0141 247 VAL 33 O -0.0005 0.0023 0.0145 248 VAL 33 CB -0.0002 -0.0014 0.0146 249 VAL 33 CG1 -0.0003 -0.0027 0.0146 250 VAL 33 CG2 0.0011 -0.0008 0.0155 251 VAL 34 N -0.0068 -0.0005 0.0046 252 VAL 34 CA -0.0072 -0.0003 0.0047 253 VAL 34 C -0.0080 0.0007 0.0046 254 VAL 34 O -0.0077 0.0015 0.0041 255 VAL 34 CB -0.0064 -0.0002 0.0044 256 VAL 34 CG1 -0.0070 0.0000 0.0045 257 VAL 34 CG2 -0.0057 -0.0013 0.0045 258 VAL 35 N -0.0071 0.0028 0.0017 259 VAL 35 CA -0.0071 0.0026 0.0015 260 VAL 35 C -0.0076 0.0028 0.0016 261 VAL 35 O -0.0076 0.0031 0.0018 262 VAL 35 CB -0.0067 0.0026 0.0016 263 VAL 35 CG1 -0.0067 0.0024 0.0015 264 VAL 35 CG2 -0.0063 0.0023 0.0016 265 VAL 36 N -0.0099 0.0005 -0.0032 266 VAL 36 CA -0.0089 -0.0003 -0.0031 267 VAL 36 C -0.0094 0.0000 -0.0031 268 VAL 36 O -0.0096 0.0012 -0.0027 269 VAL 36 CB -0.0075 0.0001 -0.0023 270 VAL 36 CG1 -0.0065 -0.0010 -0.0024 271 VAL 36 CG2 -0.0072 0.0003 -0.0021 272 GLY 37 N -0.0079 0.0040 -0.0079 273 GLY 37 CA -0.0082 0.0030 -0.0088 274 GLY 37 C -0.0082 0.0030 -0.0097 275 GLY 37 O -0.0078 0.0038 -0.0101 276 LEU 38 N -0.0165 0.0098 -0.0106 277 LEU 38 CA -0.0137 0.0102 -0.0127 278 LEU 38 C -0.0111 0.0077 -0.0112 279 LEU 38 O -0.0092 0.0062 -0.0106 280 LEU 38 CB -0.0121 0.0116 -0.0151 281 LEU 38 CG -0.0089 0.0121 -0.0175 282 LEU 38 CD1 -0.0096 0.0138 -0.0190 283 LEU 38 CD2 -0.0078 0.0135 -0.0196 284 ASN 39 N -0.0178 0.0097 -0.0044 285 ASN 39 CA -0.0173 0.0073 -0.0072 286 ASN 39 C -0.0129 0.0072 -0.0082 287 ASN 39 O -0.0109 0.0088 -0.0068 288 ASN 39 CB -0.0197 0.0048 -0.0095 289 ASN 39 CG -0.0194 0.0047 -0.0098 290 ASN 39 OD1 -0.0162 0.0045 -0.0106 291 ASN 39 ND2 -0.0227 0.0048 -0.0090 292 PRO 40 N -0.0104 0.0057 -0.0076 293 PRO 40 CA -0.0063 0.0036 -0.0068 294 PRO 40 C -0.0082 0.0002 -0.0076 295 PRO 40 O -0.0062 0.0008 -0.0071 296 PRO 40 CB -0.0026 0.0004 -0.0062 297 PRO 40 CG -0.0032 0.0034 -0.0061 298 PRO 40 CD -0.0090 0.0049 -0.0073 299 GLU 41 N -0.0126 -0.0011 -0.0096 300 GLU 41 CA -0.0104 -0.0021 -0.0112 301 GLU 41 C -0.0092 -0.0008 -0.0085 302 GLU 41 O -0.0056 -0.0009 -0.0083 303 GLU 41 CB -0.0133 -0.0035 -0.0142 304 GLU 41 CG -0.0112 -0.0050 -0.0167 305 GLU 41 CD -0.0143 -0.0062 -0.0193 306 GLU 41 OE1 -0.0181 -0.0057 -0.0189 307 GLU 41 OE2 -0.0130 -0.0076 -0.0218 308 ALA 42 N -0.0087 0.0019 -0.0075 309 ALA 42 CA -0.0081 0.0021 -0.0063 310 ALA 42 C -0.0061 0.0021 -0.0038 311 ALA 42 O -0.0045 0.0013 -0.0034 312 ALA 42 CB -0.0105 0.0039 -0.0058 313 VAL 43 N -0.0052 0.0026 -0.0066 314 VAL 43 CA -0.0038 0.0031 -0.0057 315 VAL 43 C -0.0030 0.0010 -0.0052 316 VAL 43 O -0.0030 0.0008 -0.0051 317 VAL 43 CB -0.0022 0.0044 -0.0047 318 VAL 43 CG1 -0.0005 0.0046 -0.0036 319 VAL 43 CG2 -0.0028 0.0067 -0.0052 320 GLU 44 N -0.0022 -0.0022 -0.0009 321 GLU 44 CA 0.0005 -0.0049 -0.0014 322 GLU 44 C 0.0005 -0.0067 -0.0029 323 GLU 44 O 0.0029 -0.0078 -0.0022 324 GLU 44 CB 0.0008 -0.0065 -0.0025 325 GLU 44 CG 0.0017 -0.0048 -0.0005 326 GLU 44 CD 0.0014 -0.0059 -0.0016 327 GLU 44 OE1 0.0029 -0.0086 -0.0028 328 GLU 44 OE2 -0.0001 -0.0041 -0.0011 329 GLU 45 N 0.0033 -0.0038 0.0015 330 GLU 45 CA 0.0016 -0.0048 0.0007 331 GLU 45 C 0.0010 -0.0029 0.0006 332 GLU 45 O 0.0008 -0.0038 0.0004 333 GLU 45 CB -0.0008 -0.0054 -0.0003 334 GLU 45 CG -0.0005 -0.0079 -0.0004 335 GLU 45 CD -0.0002 -0.0105 -0.0005 336 GLU 45 OE1 -0.0021 -0.0118 -0.0014 337 GLU 45 OE2 0.0018 -0.0111 0.0003 338 ALA 46 N 0.0005 -0.0018 -0.0011 339 ALA 46 CA 0.0013 -0.0013 0.0005 340 ALA 46 C 0.0034 -0.0019 0.0019 341 ALA 46 O 0.0047 -0.0025 0.0024 342 ALA 46 CB -0.0002 0.0005 0.0018 343 GLN 47 N 0.0046 -0.0028 -0.0010 344 GLN 47 CA 0.0037 -0.0025 -0.0015 345 GLN 47 C 0.0056 0.0000 -0.0029 346 GLN 47 O 0.0058 0.0003 -0.0031 347 GLN 47 CB -0.0000 -0.0024 -0.0026 348 GLN 47 CG -0.0024 -0.0049 -0.0013 349 GLN 47 CD -0.0058 -0.0051 -0.0021 350 GLN 47 OE1 -0.0060 -0.0060 -0.0015 351 GLN 47 NE2 -0.0083 -0.0043 -0.0035 352 VAL 48 N 0.0094 -0.0104 0.0035 353 VAL 48 CA 0.0090 -0.0117 0.0033 354 VAL 48 C 0.0068 -0.0088 0.0044 355 VAL 48 O 0.0080 -0.0077 0.0043 356 VAL 48 CB 0.0072 -0.0159 0.0030 357 VAL 48 CG1 0.0065 -0.0172 0.0029 358 VAL 48 CG2 0.0100 -0.0187 0.0018 359 LEU 49 N 0.0047 -0.0047 0.0094 360 LEU 49 CA 0.0044 -0.0037 0.0105 361 LEU 49 C 0.0058 -0.0021 0.0120 362 LEU 49 O 0.0063 -0.0014 0.0126 363 LEU 49 CB 0.0019 -0.0036 0.0110 364 LEU 49 CG 0.0005 -0.0052 0.0096 365 LEU 49 CD1 -0.0020 -0.0050 0.0102 366 LEU 49 CD2 0.0011 -0.0058 0.0089 367 THR 50 N 0.0089 -0.0030 0.0066 368 THR 50 CA 0.0094 -0.0007 0.0055 369 THR 50 C 0.0098 0.0010 0.0045 370 THR 50 O 0.0101 0.0030 0.0038 371 THR 50 CB 0.0107 -0.0012 0.0038 372 THR 50 OG1 0.0119 -0.0027 0.0024 373 THR 50 CG2 0.0102 -0.0025 0.0046 374 LYS 51 N 0.0093 -0.0033 0.0076 375 LYS 51 CA 0.0109 -0.0026 0.0068 376 LYS 51 C 0.0082 -0.0014 0.0083 377 LYS 51 O 0.0091 -0.0005 0.0078 378 LYS 51 CB 0.0126 -0.0064 0.0058 379 LYS 51 CG 0.0154 -0.0077 0.0043 380 LYS 51 CD 0.0166 -0.0119 0.0035 381 LYS 51 CE 0.0196 -0.0131 0.0019 382 LYS 51 NZ 0.0185 -0.0161 0.0024 383 PHE 52 N 0.0025 -0.0049 0.0169 384 PHE 52 CA 0.0035 -0.0033 0.0186 385 PHE 52 C 0.0033 -0.0033 0.0219 386 PHE 52 O 0.0046 -0.0014 0.0233 387 PHE 52 CB 0.0030 -0.0041 0.0183 388 PHE 52 CG 0.0031 -0.0042 0.0151 389 PHE 52 CD1 0.0048 -0.0022 0.0135 390 PHE 52 CD2 0.0016 -0.0064 0.0138 391 PHE 52 CE1 0.0049 -0.0024 0.0106 392 PHE 52 CE2 0.0017 -0.0066 0.0109 393 PHE 52 CZ 0.0034 -0.0046 0.0093 394 ALA 53 N 0.0075 -0.0030 0.0227 395 ALA 53 CA 0.0065 -0.0024 0.0238 396 ALA 53 C 0.0070 -0.0012 0.0250 397 ALA 53 O 0.0078 -0.0009 0.0250 398 ALA 53 CB 0.0050 -0.0029 0.0239 399 SER 54 N 0.0133 -0.0025 0.0243 400 SER 54 CA 0.0133 0.0000 0.0240 401 SER 54 C 0.0140 0.0020 0.0239 402 SER 54 O 0.0155 0.0037 0.0240 403 SER 54 CB 0.0108 0.0008 0.0234 404 SER 54 OG 0.0101 -0.0005 0.0234 405 THR 55 N 0.0093 0.0023 0.0176 406 THR 55 CA 0.0094 0.0032 0.0176 407 THR 55 C 0.0090 0.0014 0.0175 408 THR 55 O 0.0077 0.0002 0.0174 409 THR 55 CB 0.0078 0.0048 0.0177 410 THR 55 OG1 0.0081 0.0065 0.0178 411 THR 55 CG2 0.0080 0.0055 0.0177 412 VAL 56 N 0.0070 -0.0009 0.0123 413 VAL 56 CA 0.0063 -0.0009 0.0118 414 VAL 56 C 0.0055 -0.0004 0.0122 415 VAL 56 O 0.0054 0.0000 0.0128 416 VAL 56 CB 0.0066 -0.0012 0.0116 417 VAL 56 CG1 0.0057 -0.0012 0.0110 418 VAL 56 CG2 0.0074 -0.0017 0.0112 419 HIS 57 N 0.0041 0.0011 0.0075 420 HIS 57 CA 0.0030 0.0015 0.0080 421 HIS 57 C 0.0022 0.0011 0.0074 422 HIS 57 O 0.0019 0.0006 0.0066 423 HIS 57 CB 0.0022 0.0017 0.0081 424 HIS 57 CG 0.0029 0.0021 0.0087 425 HIS 57 ND1 0.0029 0.0028 0.0097 426 HIS 57 CD2 0.0034 0.0019 0.0084 427 HIS 57 CE1 0.0035 0.0030 0.0100 428 HIS 57 NE2 0.0038 0.0025 0.0093 429 TRP 58 N 0.0060 0.0084 0.0001 430 TRP 58 CA 0.0043 0.0066 -0.0016 431 TRP 58 C 0.0035 0.0036 0.0005 432 TRP 58 O 0.0029 0.0019 0.0015 433 TRP 58 CB 0.0028 0.0062 -0.0048 434 TRP 58 CG 0.0012 0.0048 -0.0070 435 TRP 58 CD1 0.0012 0.0047 -0.0070 436 TRP 58 CD2 -0.0005 0.0034 -0.0095 437 TRP 58 NE1 -0.0005 0.0033 -0.0093 438 TRP 58 CE2 -0.0016 0.0024 -0.0110 439 TRP 58 CE3 -0.0013 0.0028 -0.0107 440 TRP 58 CZ2 -0.0034 0.0010 -0.0135 441 TRP 58 CZ3 -0.0031 0.0013 -0.0133 442 TRP 58 CH2 -0.0042 0.0003 -0.0147 443 ILE 59 N 0.0033 -0.0004 -0.0038 444 ILE 59 CA 0.0031 -0.0009 -0.0034 445 ILE 59 C 0.0023 -0.0012 -0.0039 446 ILE 59 O 0.0022 -0.0008 -0.0044 447 ILE 59 CB 0.0036 -0.0007 -0.0031 448 ILE 59 CG1 0.0043 -0.0005 -0.0026 449 ILE 59 CG2 0.0033 -0.0012 -0.0027 450 ILE 59 CD1 0.0049 -0.0002 -0.0024 451 THR 60 N 0.0020 0.0078 -0.0095 452 THR 60 CA 0.0011 0.0064 -0.0106 453 THR 60 C 0.0004 0.0048 -0.0094 454 THR 60 O 0.0006 0.0047 -0.0081 455 THR 60 CB 0.0007 0.0063 -0.0121 456 THR 60 OG1 0.0007 0.0060 -0.0115 457 THR 60 CG2 0.0013 0.0079 -0.0133 458 PRO 61 N -0.0051 0.0054 -0.0123 459 PRO 61 CA -0.0098 0.0053 -0.0099 460 PRO 61 C -0.0127 0.0053 -0.0063 461 PRO 61 O -0.0166 0.0053 -0.0039 462 PRO 61 CB -0.0132 0.0049 -0.0147 463 PRO 61 CG -0.0118 0.0047 -0.0188 464 PRO 61 CD -0.0059 0.0051 -0.0180 465 LYS 62 N -0.0102 0.0105 -0.0151 466 LYS 62 CA -0.0131 0.0103 -0.0116 467 LYS 62 C -0.0082 0.0108 -0.0109 468 LYS 62 O -0.0033 0.0112 -0.0136 469 LYS 62 CB -0.0189 0.0096 -0.0148 470 LYS 62 CG -0.0177 0.0095 -0.0209 471 LYS 62 CD -0.0235 0.0088 -0.0243 472 LYS 62 CE -0.0263 0.0084 -0.0284 473 LYS 62 NZ -0.0315 0.0077 -0.0319 474 ASP 63 N 0.0047 0.0110 -0.0135 475 ASP 63 CA 0.0069 0.0169 -0.0205 476 ASP 63 C 0.0084 0.0169 -0.0268 477 ASP 63 O 0.0085 0.0100 -0.0291 478 ASP 63 CB 0.0078 0.0146 -0.0248 479 ASP 63 CG 0.0102 0.0188 -0.0333 480 ASP 63 OD1 0.0115 0.0157 -0.0393 481 ASP 63 OD2 0.0107 0.0249 -0.0338 482 PRO 64 N 0.0078 0.0169 -0.0285 483 PRO 64 CA 0.0081 0.0163 -0.0282 484 PRO 64 C 0.0085 0.0165 -0.0273 485 PRO 64 O 0.0087 0.0161 -0.0270 486 PRO 64 CB 0.0082 0.0153 -0.0283 487 PRO 64 CG 0.0078 0.0154 -0.0288 488 PRO 64 CD 0.0078 0.0164 -0.0287 489 HIS 65 N 0.0148 0.0215 -0.0398 490 HIS 65 CA 0.0172 0.0225 -0.0370 491 HIS 65 C 0.0218 0.0250 -0.0344 492 HIS 65 O 0.0240 0.0257 -0.0310 493 HIS 65 CB 0.0178 0.0235 -0.0406 494 HIS 65 CG 0.0133 0.0210 -0.0427 495 HIS 65 ND1 0.0116 0.0209 -0.0479 496 HIS 65 CD2 0.0104 0.0187 -0.0403 497 HIS 65 CE1 0.0078 0.0186 -0.0485 498 HIS 65 NE2 0.0069 0.0172 -0.0441 499 THR 66 N 0.0156 0.0264 -0.0320 500 THR 66 CA 0.0186 0.0287 -0.0296 501 THR 66 C 0.0165 0.0314 -0.0258 502 THR 66 O 0.0181 0.0332 -0.0239 503 THR 66 CB 0.0227 0.0294 -0.0295 504 THR 66 OG1 0.0217 0.0298 -0.0288 505 THR 66 CG2 0.0256 0.0271 -0.0329 506 LEU 67 N 0.0140 0.0352 -0.0268 507 LEU 67 CA 0.0142 0.0315 -0.0208 508 LEU 67 C 0.0165 0.0315 -0.0191 509 LEU 67 O 0.0155 0.0282 -0.0147 510 LEU 67 CB 0.0080 0.0275 -0.0195 511 LEU 67 CG 0.0059 0.0260 -0.0188 512 LEU 67 CD1 0.0001 0.0217 -0.0165 513 LEU 67 CD2 0.0107 0.0258 -0.0147 514 ASP 68 N 0.0186 0.0438 -0.0307 515 ASP 68 CA 0.0061 0.0434 -0.0020 516 ASP 68 C 0.0207 0.0258 0.0071 517 ASP 68 O 0.0146 0.0319 0.0063 518 ASP 68 CB -0.0210 0.0692 -0.0026 519 ASP 68 CG -0.0376 0.0705 0.0310 520 ASP 68 OD1 -0.0445 0.0735 0.0393 521 ASP 68 OD2 -0.0434 0.0685 0.0487 522 GLY 69 N 0.0138 0.0246 -0.0055 523 GLY 69 CA 0.0095 0.0185 -0.0015 524 GLY 69 C 0.0077 0.0152 -0.0009 525 GLY 69 O 0.0041 0.0093 0.0007 526 HIS 70 N 0.0080 0.0165 -0.0052 527 HIS 70 CA 0.0051 0.0120 -0.0042 528 HIS 70 C 0.0012 0.0076 -0.0095 529 HIS 70 O -0.0021 0.0024 -0.0081 530 HIS 70 CB 0.0070 0.0149 -0.0044 531 HIS 70 CG 0.0055 0.0115 -0.0006 532 HIS 70 ND1 0.0022 0.0075 -0.0038 533 HIS 70 CD2 0.0068 0.0117 0.0060 534 HIS 70 CE1 0.0016 0.0053 0.0009 535 HIS 70 NE2 0.0043 0.0076 0.0069 536 ALA 71 N 0.0017 0.0076 -0.0141 537 ALA 71 CA 0.0003 0.0041 -0.0183 538 ALA 71 C -0.0021 0.0006 -0.0194 539 ALA 71 O -0.0036 -0.0026 -0.0228 540 ALA 71 CB 0.0032 0.0061 -0.0233 541 ASP 72 N -0.0045 -0.0005 -0.0198 542 ASP 72 CA -0.0077 -0.0059 -0.0209 543 ASP 72 C -0.0131 -0.0136 -0.0200 544 ASP 72 O -0.0149 -0.0190 -0.0249 545 ASP 72 CB -0.0082 -0.0034 -0.0148 546 ASP 72 CG -0.0032 0.0031 -0.0167 547 ASP 72 OD1 0.0009 0.0063 -0.0222 548 ASP 72 OD2 -0.0035 0.0050 -0.0125 549 GLU 73 N -0.0156 -0.0080 -0.0198 550 GLU 73 CA -0.0206 -0.0103 -0.0189 551 GLU 73 C -0.0174 -0.0121 -0.0223 552 GLU 73 O -0.0200 -0.0170 -0.0249 553 GLU 73 CB -0.0240 -0.0055 -0.0129 554 GLU 73 CG -0.0301 -0.0077 -0.0111 555 GLU 73 CD -0.0333 -0.0028 -0.0051 556 GLU 73 OE1 -0.0309 0.0023 -0.0022 557 GLU 73 OE2 -0.0383 -0.0043 -0.0035 558 LEU 74 N -0.0084 -0.0061 -0.0174 559 LEU 74 CA -0.0052 -0.0056 -0.0155 560 LEU 74 C -0.0038 -0.0094 -0.0163 561 LEU 74 O -0.0034 -0.0091 -0.0159 562 LEU 74 CB -0.0018 -0.0047 -0.0133 563 LEU 74 CG 0.0018 -0.0041 -0.0111 564 LEU 74 CD1 0.0010 -0.0006 -0.0100 565 LEU 74 CD2 0.0051 -0.0035 -0.0091 566 LEU 75 N -0.0052 -0.0102 -0.0237 567 LEU 75 CA -0.0040 -0.0131 -0.0252 568 LEU 75 C -0.0055 -0.0186 -0.0223 569 LEU 75 O -0.0042 -0.0222 -0.0238 570 LEU 75 CB -0.0046 -0.0091 -0.0248 571 LEU 75 CG -0.0024 -0.0042 -0.0286 572 LEU 75 CD1 -0.0036 0.0003 -0.0273 573 LEU 75 CD2 0.0010 -0.0063 -0.0336 574 ALA 76 N -0.0150 -0.0320 -0.0321 575 ALA 76 CA -0.0271 -0.0374 -0.0375 576 ALA 76 C -0.0235 -0.0260 -0.0343 577 ALA 76 O -0.0307 -0.0308 -0.0378 578 ALA 76 CB -0.0479 -0.0331 -0.0447 579 HIS 77 N 0.0039 -0.0098 -0.0161 580 HIS 77 CA 0.0072 -0.0052 -0.0152 581 HIS 77 C 0.0099 -0.0052 -0.0101 582 HIS 77 O 0.0101 -0.0079 -0.0066 583 HIS 77 CB 0.0081 -0.0028 -0.0161 584 HIS 77 CG 0.0108 0.0024 -0.0169 585 HIS 77 ND1 0.0140 0.0043 -0.0130 586 HIS 77 CD2 0.0106 0.0059 -0.0211 587 HIS 77 CE1 0.0158 0.0089 -0.0148 588 HIS 77 NE2 0.0138 0.0100 -0.0197 589 PRO 78 N 0.0164 0.0059 -0.0134 590 PRO 78 CA 0.0206 0.0084 0.0019 591 PRO 78 C 0.0225 0.0096 0.0065 592 PRO 78 O 0.0237 0.0100 0.0197 593 PRO 78 CB 0.0326 0.0168 0.0028 594 PRO 78 CG 0.0320 0.0168 -0.0102 595 PRO 78 CD 0.0248 0.0120 -0.0220 596 SER 79 N 0.0183 0.0054 0.0038 597 SER 79 CA 0.0151 0.0044 0.0080 598 SER 79 C 0.0143 0.0004 0.0101 599 SER 79 O 0.0115 -0.0003 0.0137 600 SER 79 CB 0.0147 0.0028 0.0089 601 SER 79 OG 0.0154 0.0064 0.0071 602 VAL 80 N 0.0141 -0.0008 0.0019 603 VAL 80 CA 0.0122 -0.0028 0.0025 604 VAL 80 C 0.0115 -0.0040 0.0056 605 VAL 80 O 0.0113 -0.0044 0.0065 606 VAL 80 CB 0.0103 -0.0042 0.0000 607 VAL 80 CG1 0.0082 -0.0064 0.0008 608 VAL 80 CG2 0.0110 -0.0030 -0.0028 609 LYS 81 N 0.0118 0.0003 0.0049 610 LYS 81 CA 0.0107 0.0007 0.0060 611 LYS 81 C 0.0094 -0.0003 0.0057 612 LYS 81 O 0.0088 -0.0011 0.0051 613 LYS 81 CB 0.0102 0.0014 0.0070 614 LYS 81 CG 0.0114 0.0026 0.0076 615 LYS 81 CD 0.0108 0.0033 0.0087 616 LYS 81 CE 0.0119 0.0045 0.0094 617 LYS 81 NZ 0.0130 0.0046 0.0088 618 LEU 82 N 0.0135 0.0060 -0.0031 619 LEU 82 CA 0.0114 0.0052 -0.0037 620 LEU 82 C 0.0108 0.0045 -0.0018 621 LEU 82 O 0.0107 0.0040 0.0002 622 LEU 82 CB 0.0097 0.0045 -0.0041 623 LEU 82 CG 0.0074 0.0036 -0.0046 624 LEU 82 CD1 0.0071 0.0039 -0.0068 625 LEU 82 CD2 0.0058 0.0028 -0.0046 626 TRP 83 N 0.0086 0.0015 0.0026 627 TRP 83 CA 0.0102 0.0010 0.0026 628 TRP 83 C 0.0104 0.0013 0.0027 629 TRP 83 O 0.0112 0.0024 0.0031 630 TRP 83 CB 0.0114 0.0016 0.0029 631 TRP 83 CG 0.0112 0.0013 0.0028 632 TRP 83 CD1 0.0104 0.0022 0.0030 633 TRP 83 CD2 0.0116 -0.0001 0.0025 634 TRP 83 NE1 0.0104 0.0015 0.0028 635 TRP 83 CE2 0.0111 0.0001 0.0024 636 TRP 83 CE3 0.0124 -0.0014 0.0022 637 TRP 83 CZ2 0.0114 -0.0011 0.0022 638 TRP 83 CZ3 0.0127 -0.0025 0.0019 639 TRP 83 CH2 0.0121 -0.0024 0.0019 640 GLU 84 N 0.0168 0.0098 0.0032 641 GLU 84 CA 0.0116 0.0086 0.0020 642 GLU 84 C 0.0046 0.0091 0.0038 643 GLU 84 O 0.0036 0.0116 0.0081 644 GLU 84 CB 0.0129 0.0103 0.0047 645 GLU 84 CG 0.0122 0.0143 0.0114 646 GLU 84 CD 0.0112 0.0157 0.0139 647 GLU 84 OE1 0.0125 0.0138 0.0106 648 GLU 84 OE2 0.0086 0.0184 0.0189 649 LYS 85 N 0.0106 0.0018 0.0073 650 LYS 85 CA -0.0020 0.0028 0.0084 651 LYS 85 C 0.0068 0.0022 0.0068 652 LYS 85 O 0.0014 0.0020 0.0155 653 LYS 85 CB -0.0140 0.0026 0.0254 654 LYS 85 CG -0.0240 0.0032 0.0289 655 LYS 85 CD -0.0399 0.0036 0.0417 656 LYS 85 CE -0.0419 0.0028 0.0554 657 LYS 85 NZ -0.0311 0.0009 0.0716 658 THR 86 N 0.0133 -0.0033 0.0046 659 THR 86 CA 0.0146 -0.0033 0.0042 660 THR 86 C 0.0143 -0.0034 0.0007 661 THR 86 O 0.0142 -0.0035 -0.0017 662 THR 86 CB 0.0182 -0.0033 0.0055 663 THR 86 OG1 0.0207 -0.0034 0.0034 664 THR 86 CG2 0.0186 -0.0032 0.0090 665 ARG 87 N 0.0178 -0.0091 -0.0095 666 ARG 87 CA 0.0151 -0.0156 -0.0062 667 ARG 87 C 0.0141 -0.0051 0.0011 668 ARG 87 O 0.0116 0.0023 0.0103 669 ARG 87 CB 0.0093 -0.0280 0.0021 670 ARG 87 CG 0.0080 -0.0392 -0.0000 671 ARG 87 CD 0.0015 -0.0464 0.0121 672 ARG 87 NE -0.0016 -0.0553 0.0155 673 ARG 87 CZ -0.0034 -0.0691 0.0133 674 ARG 87 NH1 -0.0020 -0.0760 0.0068 675 ARG 87 NH2 -0.0066 -0.0760 0.0177 676 LEU 88 N 0.0031 -0.0158 -0.0006 677 LEU 88 CA 0.0029 -0.0141 0.0008 678 LEU 88 C 0.0039 -0.0146 0.0029 679 LEU 88 O 0.0045 -0.0152 0.0035 680 LEU 88 CB 0.0020 -0.0125 0.0005 681 LEU 88 CG 0.0017 -0.0106 0.0019 682 LEU 88 CD1 0.0014 -0.0098 0.0021 683 LEU 88 CD2 0.0008 -0.0091 0.0013 684 ILE 89 N 0.0033 -0.0231 0.0028 685 ILE 89 CA 0.0029 -0.0235 0.0039 686 ILE 89 C 0.0044 -0.0224 0.0029 687 ILE 89 O 0.0039 -0.0227 0.0025 688 ILE 89 CB 0.0032 -0.0237 0.0069 689 ILE 89 CG1 0.0017 -0.0249 0.0081 690 ILE 89 CG2 0.0027 -0.0242 0.0082 691 ILE 89 CD1 -0.0008 -0.0265 0.0073 692 ARG 90 N 0.0015 -0.0224 -0.0021 693 ARG 90 CA 0.0037 -0.0187 -0.0010 694 ARG 90 C 0.0033 -0.0155 -0.0027 695 ARG 90 O 0.0023 -0.0163 -0.0037 696 ARG 90 CB 0.0064 -0.0196 0.0027 697 ARG 90 CG 0.0091 -0.0164 0.0046 698 ARG 90 CD 0.0115 -0.0182 0.0082 699 ARG 90 NE 0.0111 -0.0211 0.0089 700 ARG 90 CZ 0.0106 -0.0251 0.0099 701 ARG 90 NH1 0.0106 -0.0270 0.0106 702 ARG 90 NH2 0.0101 -0.0272 0.0101 703 ILE 91 N 0.0022 -0.0097 -0.0066 704 ILE 91 CA 0.0003 -0.0075 -0.0070 705 ILE 91 C 0.0025 -0.0064 -0.0054 706 ILE 91 O 0.0050 -0.0056 -0.0038 707 ILE 91 CB -0.0015 -0.0045 -0.0071 708 ILE 91 CG1 -0.0037 -0.0058 -0.0087 709 ILE 91 CG2 -0.0033 -0.0020 -0.0073 710 ILE 91 CD1 -0.0049 -0.0032 -0.0086 711 LYS 92 N -0.0008 -0.0049 -0.0068 712 LYS 92 CA 0.0012 -0.0028 -0.0031 713 LYS 92 C 0.0016 0.0021 -0.0041 714 LYS 92 O 0.0003 0.0036 -0.0076 715 LYS 92 CB 0.0017 -0.0047 -0.0013 716 LYS 92 CG 0.0015 -0.0096 0.0003 717 LYS 92 CD 0.0018 -0.0110 0.0015 718 LYS 92 CE 0.0032 -0.0135 0.0057 719 LYS 92 NZ 0.0025 -0.0181 0.0056 720 GLY 93 N 0.0019 0.0037 -0.0099 721 GLY 93 CA -0.0009 0.0050 -0.0091 722 GLY 93 C 0.0019 0.0056 -0.0089 723 GLY 93 O 0.0059 0.0041 -0.0097 724 GLU 94 N -0.0034 0.0128 -0.0126 725 GLU 94 CA -0.0021 0.0153 -0.0102 726 GLU 94 C -0.0046 0.0255 -0.0005 727 GLU 94 O -0.0065 0.0301 0.0039 728 GLU 94 CB -0.0117 0.0102 -0.0151 729 GLU 94 CG -0.0106 -0.0003 -0.0252 730 GLU 94 CD -0.0208 -0.0047 -0.0295 731 GLU 94 OE1 -0.0176 -0.0113 -0.0357 732 GLU 94 OE2 -0.0318 -0.0015 -0.0265 733 GLU 95 N -0.0233 0.0535 0.0287 734 GLU 95 CA -0.0173 0.0437 0.0063 735 GLU 95 C -0.0028 0.0370 0.0131 736 GLU 95 O -0.0071 0.0365 0.0021 737 GLU 95 CB -0.0040 0.0314 -0.0095 738 GLU 95 CG 0.0010 0.0212 -0.0353 739 GLU 95 CD -0.0193 0.0273 -0.0562 740 GLU 95 OE1 -0.0254 0.0292 -0.0624 741 GLU 95 OE2 -0.0288 0.0303 -0.0657 742 ALA 96 N -0.0164 0.0368 0.0033 743 ALA 96 CA -0.0217 0.0395 -0.0018 744 ALA 96 C -0.0159 0.0345 -0.0066 745 ALA 96 O -0.0177 0.0360 -0.0055 746 ALA 96 CB -0.0289 0.0425 -0.0111 747 GLY 97 N -0.0115 0.0268 -0.0043 748 GLY 97 CA -0.0089 0.0183 -0.0109 749 GLY 97 C -0.0068 0.0118 -0.0147 750 GLY 97 O -0.0066 0.0120 -0.0102 751 VAL 98 N -0.0078 0.0080 -0.0098 752 VAL 98 CA -0.0079 0.0063 -0.0101 753 VAL 98 C -0.0083 0.0050 -0.0105 754 VAL 98 O -0.0094 0.0052 -0.0106 755 VAL 98 CB -0.0092 0.0064 -0.0103 756 VAL 98 CG1 -0.0093 0.0047 -0.0107 757 VAL 98 CG2 -0.0087 0.0077 -0.0100 758 THR 99 N -0.0076 0.0033 -0.0062 759 THR 99 CA -0.0077 0.0021 -0.0062 760 THR 99 C -0.0077 0.0031 -0.0056 761 THR 99 O -0.0079 0.0023 -0.0050 762 THR 99 CB -0.0075 0.0012 -0.0080 763 THR 99 OG1 -0.0071 0.0025 -0.0094 764 THR 99 CG2 -0.0075 -0.0000 -0.0085 765 ALA 100 N -0.0037 0.0005 -0.0033 766 ALA 100 CA -0.0040 -0.0017 -0.0039 767 ALA 100 C -0.0041 -0.0031 -0.0041 768 ALA 100 O -0.0036 -0.0025 -0.0034 769 ALA 100 CB -0.0031 -0.0029 -0.0027 770 VAL 101 N -0.0003 -0.0065 -0.0010 771 VAL 101 CA -0.0003 -0.0069 -0.0010 772 VAL 101 C 0.0002 -0.0087 -0.0008 773 VAL 101 O 0.0001 -0.0098 -0.0008 774 VAL 101 CB -0.0019 -0.0068 -0.0017 775 VAL 101 CG1 -0.0024 -0.0049 -0.0019 776 VAL 101 CG2 -0.0032 -0.0079 -0.0022 777 GLU 102 N 0.0022 -0.0164 0.0011 778 GLU 102 CA 0.0027 -0.0180 0.0014 779 GLU 102 C 0.0028 -0.0196 0.0002 780 GLU 102 O 0.0031 -0.0202 0.0004 781 GLU 102 CB 0.0034 -0.0184 0.0034 782 GLU 102 CG 0.0039 -0.0199 0.0039 783 GLU 102 CD 0.0046 -0.0203 0.0059 784 GLU 102 OE1 0.0046 -0.0191 0.0070 785 GLU 102 OE2 0.0052 -0.0218 0.0063 786 VAL 103 N 0.0080 -0.0123 0.0035 787 VAL 103 CA 0.0080 -0.0138 0.0023 788 VAL 103 C 0.0084 -0.0153 0.0024 789 VAL 103 O 0.0085 -0.0151 0.0030 790 VAL 103 CB 0.0073 -0.0133 0.0003 791 VAL 103 CG1 0.0069 -0.0118 0.0001 792 VAL 103 CG2 0.0070 -0.0128 -0.0004 793 ARG 104 N 0.0127 -0.0163 0.0069 794 ARG 104 CA 0.0115 -0.0138 0.0074 795 ARG 104 C 0.0131 -0.0133 0.0077 796 ARG 104 O 0.0139 -0.0152 0.0073 797 ARG 104 CB 0.0083 -0.0143 0.0069 798 ARG 104 CG 0.0068 -0.0119 0.0073 799 ARG 104 CD 0.0039 -0.0127 0.0067 800 ARG 104 NE 0.0018 -0.0130 0.0064 801 ARG 104 CZ -0.0008 -0.0139 0.0058 802 ARG 104 NH1 -0.0017 -0.0149 0.0054 803 ARG 104 NH2 -0.0026 -0.0138 0.0056 804 HIS 105 N 0.0211 -0.0097 0.0147 805 HIS 105 CA 0.0142 -0.0054 0.0196 806 HIS 105 C 0.0091 0.0006 0.0153 807 HIS 105 O 0.0104 0.0005 0.0127 808 HIS 105 CB 0.0136 -0.0081 0.0284 809 HIS 105 CG 0.0091 -0.0067 0.0354 810 HIS 105 ND1 0.0118 -0.0104 0.0392 811 HIS 105 CD2 0.0025 -0.0022 0.0391 812 HIS 105 CE1 0.0067 -0.0080 0.0450 813 HIS 105 NE2 0.0010 -0.0030 0.0452 814 PRO 106 N 0.0137 0.0021 0.0154 815 PRO 106 CA 0.0106 0.0052 0.0130 816 PRO 106 C 0.0086 0.0100 0.0132 817 PRO 106 O 0.0100 0.0128 0.0166 818 PRO 106 CB 0.0117 0.0059 0.0150 819 PRO 106 CG 0.0150 0.0014 0.0167 820 PRO 106 CD 0.0165 0.0003 0.0182 821 GLY 107 N 0.0212 0.0107 0.0143 822 GLY 107 CA 0.0247 0.0105 0.0089 823 GLY 107 C 0.0210 0.0096 0.0038 824 GLY 107 O 0.0235 0.0095 0.0000 825 GLU 108 N 0.0176 0.0092 0.0069 826 GLU 108 CA 0.0150 0.0069 0.0026 827 GLU 108 C 0.0121 0.0054 -0.0037 828 GLU 108 O 0.0110 0.0067 -0.0088 829 GLU 108 CB 0.0134 0.0012 0.0062 830 GLU 108 CG 0.0158 0.0028 0.0108 831 GLU 108 CD 0.0160 0.0058 0.0073 832 GLU 108 OE1 0.0140 0.0057 0.0013 833 GLU 108 OE2 0.0183 0.0081 0.0108 834 SER 109 N 0.0133 0.0020 0.0000 835 SER 109 CA 0.0043 0.0001 -0.0023 836 SER 109 C -0.0016 -0.0027 -0.0032 837 SER 109 O -0.0080 -0.0080 -0.0032 838 SER 109 CB 0.0005 0.0067 -0.0065 839 SER 109 OG -0.0072 0.0032 -0.0077 840 ASP 110 N -0.0001 -0.0025 -0.0024 841 ASP 110 CA -0.0052 -0.0043 -0.0027 842 ASP 110 C 0.0029 -0.0140 0.0006 843 ASP 110 O 0.0152 -0.0147 0.0026 844 ASP 110 CB -0.0054 0.0090 -0.0057 845 ASP 110 CG -0.0168 0.0169 -0.0091 846 ASP 110 OD1 -0.0284 0.0122 -0.0098 847 ASP 110 OD2 -0.0141 0.0274 -0.0110 848 SER 111 N 0.0040 -0.0198 0.0028 849 SER 111 CA 0.0048 -0.0213 0.0033 850 SER 111 C 0.0053 -0.0214 0.0036 851 SER 111 O 0.0047 -0.0208 0.0032 852 SER 111 CB 0.0039 -0.0229 0.0029 853 SER 111 OG 0.0034 -0.0230 0.0026 854 GLN 112 N 0.0033 -0.0172 0.0031 855 GLN 112 CA 0.0037 -0.0131 0.0011 856 GLN 112 C 0.0029 -0.0135 0.0022 857 GLN 112 O 0.0040 -0.0172 0.0023 858 GLN 112 CB 0.0073 -0.0126 -0.0031 859 GLN 112 CG 0.0075 -0.0076 -0.0054 860 GLN 112 CD 0.0109 -0.0074 -0.0093 861 GLN 112 OE1 0.0118 -0.0080 -0.0100 862 GLN 112 NE2 0.0130 -0.0065 -0.0120 863 GLU 113 N 0.0018 -0.0125 -0.0009 864 GLU 113 CA 0.0014 -0.0112 -0.0004 865 GLU 113 C 0.0010 -0.0100 -0.0020 866 GLU 113 O 0.0008 -0.0091 -0.0028 867 GLU 113 CB 0.0011 -0.0101 0.0014 868 GLU 113 CG 0.0008 -0.0090 0.0022 869 GLU 113 CD 0.0007 -0.0085 0.0042 870 GLU 113 OE1 0.0011 -0.0097 0.0054 871 GLU 113 OE2 0.0002 -0.0069 0.0047 872 LEU 114 N -0.0001 -0.0030 -0.0019 873 LEU 114 CA -0.0003 -0.0028 -0.0021 874 LEU 114 C -0.0017 -0.0034 -0.0008 875 LEU 114 O -0.0015 -0.0043 0.0006 876 LEU 114 CB 0.0015 -0.0034 -0.0020 877 LEU 114 CG 0.0030 -0.0028 -0.0033 878 LEU 114 CD1 0.0048 -0.0035 -0.0029 879 LEU 114 CD2 0.0026 -0.0017 -0.0048 880 LEU 115 N -0.0039 0.0024 -0.0019 881 LEU 115 CA -0.0061 0.0017 0.0000 882 LEU 115 C -0.0058 0.0013 0.0023 883 LEU 115 O -0.0050 0.0015 0.0018 884 LEU 115 CB -0.0089 0.0017 -0.0015 885 LEU 115 CG -0.0094 0.0021 -0.0038 886 LEU 115 CD1 -0.0116 0.0023 -0.0059 887 LEU 115 CD2 -0.0104 0.0018 -0.0028 888 ALA 116 N -0.0080 0.0010 0.0040 889 ALA 116 CA -0.0078 0.0007 0.0053 890 ALA 116 C -0.0079 -0.0002 0.0046 891 ALA 116 O -0.0081 -0.0001 0.0032 892 ALA 116 CB -0.0076 0.0024 0.0060 893 GLU 117 N -0.0074 0.0000 0.0082 894 GLU 117 CA -0.0058 -0.0006 0.0042 895 GLU 117 C -0.0078 0.0021 0.0030 896 GLU 117 O -0.0072 0.0026 -0.0008 897 GLU 117 CB -0.0029 -0.0044 0.0053 898 GLU 117 CG -0.0004 -0.0073 0.0053 899 GLU 117 CD 0.0019 -0.0109 0.0079 900 GLU 117 OE1 0.0011 -0.0113 0.0122 901 GLU 117 OE2 0.0045 -0.0133 0.0058 902 GLY 118 N -0.0065 0.0013 0.0065 903 GLY 118 CA -0.0074 0.0020 0.0057 904 GLY 118 C -0.0086 0.0019 0.0060 905 GLY 118 O -0.0091 0.0013 0.0069 906 VAL 119 N -0.0141 0.0007 -0.0006 907 VAL 119 CA -0.0139 0.0007 -0.0006 908 VAL 119 C -0.0141 0.0014 -0.0003 909 VAL 119 O -0.0139 0.0019 -0.0001 910 VAL 119 CB -0.0131 0.0007 -0.0007 911 VAL 119 CG1 -0.0129 0.0006 -0.0008 912 VAL 119 CG2 -0.0128 0.0001 -0.0010 913 PHE 120 N -0.0151 0.0021 0.0031 914 PHE 120 CA -0.0142 0.0015 0.0039 915 PHE 120 C -0.0147 0.0038 0.0041 916 PHE 120 O -0.0143 0.0058 0.0052 917 PHE 120 CB -0.0121 0.0007 0.0059 918 PHE 120 CG -0.0116 -0.0017 0.0057 919 PHE 120 CD1 -0.0117 -0.0019 0.0056 920 PHE 120 CD2 -0.0109 -0.0040 0.0057 921 PHE 120 CE1 -0.0111 -0.0041 0.0054 922 PHE 120 CE2 -0.0104 -0.0063 0.0056 923 PHE 120 CZ -0.0105 -0.0064 0.0055 924 VAL 121 N -0.0183 -0.0002 -0.0013 925 VAL 121 CA -0.0170 0.0006 -0.0016 926 VAL 121 C -0.0172 0.0018 -0.0003 927 VAL 121 O -0.0172 0.0026 0.0006 928 VAL 121 CB -0.0157 0.0011 -0.0021 929 VAL 121 CG1 -0.0143 0.0019 -0.0025 930 VAL 121 CG2 -0.0155 -0.0000 -0.0034 931 TYR 122 N -0.0166 0.0034 -0.0026 932 TYR 122 CA -0.0167 0.0036 -0.0024 933 TYR 122 C -0.0183 0.0051 -0.0022 934 TYR 122 O -0.0183 0.0062 -0.0007 935 TYR 122 CB -0.0152 0.0035 -0.0008 936 TYR 122 CG -0.0136 0.0020 -0.0010 937 TYR 122 CD1 -0.0131 0.0007 -0.0023 938 TYR 122 CD2 -0.0127 0.0019 0.0000 939 TYR 122 CE1 -0.0118 -0.0007 -0.0026 940 TYR 122 CE2 -0.0113 0.0005 -0.0002 941 TYR 122 CZ -0.0108 -0.0008 -0.0015 942 TYR 122 OH -0.0094 -0.0022 -0.0019 943 LEU 123 N -0.0092 0.0096 0.0060 944 LEU 123 CA -0.0023 0.0082 0.0051 945 LEU 123 C 0.0010 0.0107 0.0105 946 LEU 123 O 0.0007 0.0134 0.0155 947 LEU 123 CB 0.0019 0.0069 0.0035 948 LEU 123 CG -0.0008 0.0043 -0.0019 949 LEU 123 CD1 0.0032 0.0035 -0.0024 950 LEU 123 CD2 -0.0006 0.0012 -0.0077 951 GLN 124 N 0.0219 0.0121 0.0279 952 GLN 124 CA 0.0004 0.0272 0.0050 953 GLN 124 C 0.0259 0.0174 0.0290 954 GLN 124 O 0.0468 -0.0198 0.0602 955 GLN 124 CB -0.0513 -0.0032 -0.0239 956 GLN 124 CG -0.0780 0.0142 -0.0519 957 GLN 124 CD -0.1269 -0.0219 -0.0763 958 GLN 124 OE1 -0.1341 -0.0723 -0.0621 959 GLN 124 NE2 -0.1616 0.0048 -0.1142 960 GLY 125 N 0.0598 0.0617 0.0889 961 GLY 125 CA 0.0437 0.0610 0.0784 962 GLY 125 C 0.0396 0.0536 0.0654 963 GLY 125 O 0.0484 0.0498 0.0651 964 SER 126 N -0.0380 -0.0230 0.0332 965 SER 126 CA -0.0696 -0.0698 -0.0128 966 SER 126 C -0.0518 -0.0532 -0.0361 967 SER 126 O -0.0810 -0.0910 -0.0508 968 SER 126 CB -0.1226 -0.1239 0.0327 969 SER 126 OG -0.1235 -0.1114 0.1007 970 LYS 127 N 0.0095 0.0148 -0.0026 971 LYS 127 CA 0.0188 0.0330 -0.0013 972 LYS 127 C 0.0117 0.0488 -0.0124 973 LYS 127 O -0.0006 0.0449 -0.0210 974 LYS 127 CB 0.0351 0.0347 0.0113 975 LYS 127 CG 0.0433 0.0191 0.0232 976 LYS 127 CD 0.0501 0.0221 0.0277 977 LYS 127 CE 0.0500 0.0036 0.0339 978 LYS 127 NZ 0.0383 0.0009 0.0254 979 LYS 127 OXT 0.0190 0.0654 -0.0121