1 GLY 1 N 0.0033 -0.0002 -0.0477 2 GLY 1 CA 0.0045 0.0045 -0.0425 3 GLY 1 C 0.0047 0.0007 -0.0364 4 GLY 1 O 0.0041 -0.0051 -0.0348 5 ARG 2 N 0.0100 -0.0032 -0.0242 6 ARG 2 CA 0.0076 -0.0036 -0.0192 7 ARG 2 C 0.0096 -0.0015 -0.0175 8 ARG 2 O 0.0133 0.0016 -0.0175 9 ARG 2 CB 0.0076 -0.0023 -0.0151 10 ARG 2 CG 0.0044 -0.0034 -0.0101 11 ARG 2 CD 0.0045 -0.0020 -0.0059 12 ARG 2 NE 0.0026 -0.0041 -0.0076 13 ARG 2 CZ 0.0007 -0.0047 -0.0044 14 ARG 2 NH1 0.0002 -0.0035 0.0006 15 ARG 2 NH2 -0.0008 -0.0065 -0.0065 16 ILE 3 N -0.0029 -0.0066 -0.0288 17 ILE 3 CA 0.0043 0.0094 -0.0075 18 ILE 3 C 0.0068 0.0035 -0.0064 19 ILE 3 O 0.0108 -0.0195 -0.0124 20 ILE 3 CB 0.0190 0.0049 0.0155 21 ILE 3 CG1 0.0152 0.0164 0.0153 22 ILE 3 CG2 0.0282 0.0175 0.0383 23 ILE 3 CD1 0.0292 0.0095 0.0356 24 ALA 4 N 0.0049 -0.0086 -0.0027 25 ALA 4 CA 0.0058 -0.0092 -0.0014 26 ALA 4 C 0.0051 -0.0095 -0.0005 27 ALA 4 O 0.0050 -0.0092 -0.0011 28 ALA 4 CB 0.0076 -0.0092 -0.0019 29 SER 5 N 0.0076 -0.0065 0.0038 30 SER 5 CA 0.0044 -0.0056 0.0061 31 SER 5 C 0.0042 -0.0026 0.0094 32 SER 5 O 0.0012 -0.0017 0.0116 33 SER 5 CB 0.0052 -0.0054 0.0059 34 SER 5 OG 0.0091 -0.0035 0.0064 35 ILE 6 N 0.0024 -0.0054 0.0100 36 ILE 6 CA 0.0019 -0.0041 0.0098 37 ILE 6 C 0.0009 -0.0029 0.0117 38 ILE 6 O 0.0004 -0.0019 0.0122 39 ILE 6 CB 0.0018 -0.0028 0.0077 40 ILE 6 CG1 0.0028 -0.0041 0.0058 41 ILE 6 CG2 0.0012 -0.0012 0.0076 42 ILE 6 CD1 0.0029 -0.0031 0.0037 43 PRO 7 N 0.0010 -0.0036 0.0149 44 PRO 7 CA -0.0001 -0.0030 0.0156 45 PRO 7 C 0.0011 -0.0020 0.0153 46 PRO 7 O 0.0021 -0.0005 0.0153 47 PRO 7 CB -0.0014 -0.0017 0.0167 48 PRO 7 CG -0.0017 -0.0025 0.0166 49 PRO 7 CD 0.0001 -0.0031 0.0155 50 GLY 8 N 0.0027 -0.0062 0.0169 51 GLY 8 CA 0.0046 -0.0048 0.0163 52 GLY 8 C 0.0069 -0.0060 0.0141 53 GLY 8 O 0.0082 -0.0056 0.0134 54 GLU 9 N 0.0070 -0.0082 0.0080 55 GLU 9 CA 0.0079 -0.0086 0.0058 56 GLU 9 C 0.0082 -0.0089 0.0045 57 GLU 9 O 0.0097 -0.0082 0.0033 58 GLU 9 CB 0.0067 -0.0100 0.0052 59 GLU 9 CG 0.0074 -0.0104 0.0029 60 GLU 9 CD 0.0062 -0.0118 0.0025 61 GLU 9 OE1 0.0048 -0.0124 0.0038 62 GLU 9 OE2 0.0066 -0.0123 0.0007 63 ALA 10 N 0.0058 -0.0140 0.0107 64 ALA 10 CA 0.0057 -0.0139 0.0111 65 ALA 10 C 0.0060 -0.0101 0.0133 66 ALA 10 O 0.0068 -0.0083 0.0122 67 ALA 10 CB 0.0042 -0.0176 0.0132 68 GLU 11 N 0.0080 -0.0050 0.0232 69 GLU 11 CA 0.0086 -0.0020 0.0255 70 GLU 11 C 0.0097 0.0013 0.0237 71 GLU 11 O 0.0104 0.0038 0.0242 72 GLU 11 CB 0.0083 -0.0024 0.0286 73 GLU 11 CG 0.0087 0.0003 0.0316 74 GLU 11 CD 0.0085 0.0001 0.0341 75 GLU 11 OE1 0.0079 -0.0022 0.0337 76 GLU 11 OE2 0.0089 0.0024 0.0365 77 TYR 12 N 0.0111 0.0013 0.0175 78 TYR 12 CA 0.0112 0.0039 0.0157 79 TYR 12 C 0.0120 0.0035 0.0133 80 TYR 12 O 0.0123 0.0054 0.0112 81 TYR 12 CB 0.0114 0.0051 0.0144 82 TYR 12 CG 0.0105 0.0062 0.0168 83 TYR 12 CD1 0.0097 0.0091 0.0178 84 TYR 12 CD2 0.0104 0.0045 0.0180 85 TYR 12 CE1 0.0088 0.0100 0.0202 86 TYR 12 CE2 0.0095 0.0055 0.0204 87 TYR 12 CZ 0.0087 0.0082 0.0215 88 TYR 12 OH 0.0078 0.0091 0.0239 89 LEU 13 N 0.0122 -0.0034 0.0129 90 LEU 13 CA 0.0130 -0.0037 0.0080 91 LEU 13 C 0.0141 0.0011 0.0072 92 LEU 13 O 0.0138 0.0027 0.0105 93 LEU 13 CB 0.0121 -0.0087 0.0076 94 LEU 13 CG 0.0128 -0.0100 0.0021 95 LEU 13 CD1 0.0133 -0.0110 -0.0019 96 LEU 13 CD2 0.0119 -0.0148 0.0023 97 GLY 14 N 0.0149 -0.0034 0.0057 98 GLY 14 CA 0.0188 -0.0069 0.0048 99 GLY 14 C 0.0158 0.0023 0.0068 100 GLY 14 O 0.0181 0.0002 0.0063 101 ARG 15 N 0.0081 0.0191 0.0191 102 ARG 15 CA 0.0063 0.0201 0.0177 103 ARG 15 C 0.0070 0.0188 0.0135 104 ARG 15 O 0.0072 0.0183 0.0122 105 ARG 15 CB 0.0074 0.0199 0.0202 106 ARG 15 CG 0.0064 0.0214 0.0245 107 ARG 15 CD 0.0067 0.0216 0.0265 108 ARG 15 NE 0.0102 0.0192 0.0270 109 ARG 15 CZ 0.0113 0.0184 0.0270 110 ARG 15 NH1 0.0093 0.0197 0.0264 111 ARG 15 NH2 0.0145 0.0162 0.0276 112 GLY 16 N 0.0067 0.0032 0.0020 113 GLY 16 CA 0.0063 0.0004 -0.0012 114 GLY 16 C 0.0068 -0.0031 -0.0028 115 GLY 16 O 0.0057 -0.0045 -0.0064 116 VAL 17 N 0.0089 -0.0035 -0.0010 117 VAL 17 CA 0.0086 -0.0057 -0.0020 118 VAL 17 C 0.0096 -0.0069 -0.0043 119 VAL 17 O 0.0095 -0.0071 -0.0044 120 VAL 17 CB 0.0067 -0.0075 -0.0006 121 VAL 17 CG1 0.0065 -0.0099 -0.0018 122 VAL 17 CG2 0.0058 -0.0064 0.0015 123 SER 18 N -0.0001 -0.0171 -0.0147 124 SER 18 CA 0.0021 -0.0193 -0.0130 125 SER 18 C 0.0040 -0.0173 -0.0117 126 SER 18 O 0.0041 -0.0141 -0.0117 127 SER 18 CB 0.0039 -0.0208 -0.0117 128 SER 18 OG 0.0060 -0.0231 -0.0100 129 TYR 19 N 0.0064 -0.0179 -0.0108 130 TYR 19 CA 0.0051 -0.0177 -0.0107 131 TYR 19 C 0.0057 -0.0178 -0.0109 132 TYR 19 O 0.0048 -0.0176 -0.0113 133 TYR 19 CB 0.0038 -0.0174 -0.0121 134 TYR 19 CG 0.0032 -0.0173 -0.0121 135 TYR 19 CD1 0.0021 -0.0171 -0.0110 136 TYR 19 CD2 0.0037 -0.0174 -0.0134 137 TYR 19 CE1 0.0015 -0.0170 -0.0110 138 TYR 19 CE2 0.0031 -0.0173 -0.0135 139 TYR 19 CZ 0.0020 -0.0171 -0.0123 140 TYR 19 OH 0.0015 -0.0170 -0.0123 141 CYS 20 N -0.0013 -0.0350 -0.0091 142 CYS 20 CA 0.0135 -0.0430 -0.0029 143 CYS 20 C 0.0192 -0.0397 0.0001 144 CYS 20 O 0.0153 -0.0479 -0.0025 145 CYS 20 CB 0.0131 -0.0621 -0.0049 146 CYS 20 SG 0.0322 -0.0720 0.0031 147 ALA 21 N 0.0125 -0.0318 0.0036 148 ALA 21 CA 0.0188 -0.0267 0.0070 149 ALA 21 C 0.0279 -0.0329 0.0063 150 ALA 21 O 0.0311 -0.0319 0.0074 151 ALA 21 CB 0.0224 -0.0177 0.0115 152 THR 22 N 0.0314 -0.0574 0.0127 153 THR 22 CA 0.0472 -0.0679 0.0096 154 THR 22 C 0.0472 -0.0796 -0.0001 155 THR 22 O 0.0606 -0.0859 -0.0006 156 THR 22 CB 0.0525 -0.0742 0.0062 157 THR 22 OG1 0.0392 -0.0795 -0.0028 158 THR 22 CG2 0.0566 -0.0629 0.0170 159 CYS 23 N 0.0703 -0.0886 -0.0091 160 CYS 23 CA 0.0504 -0.1089 -0.0133 161 CYS 23 C 0.0326 -0.0782 -0.0047 162 CYS 23 O 0.0420 -0.0793 -0.0054 163 CYS 23 CB 0.0155 -0.1386 -0.0192 164 CYS 23 SG 0.0035 -0.1798 -0.0290 165 ASP 24 N 0.0258 -0.0497 0.0124 166 ASP 24 CA 0.0159 -0.0425 0.0116 167 ASP 24 C 0.0195 -0.0304 0.0090 168 ASP 24 O 0.0121 -0.0237 0.0081 169 ASP 24 CB 0.0069 -0.0406 0.0117 170 ASP 24 CG 0.0017 -0.0520 0.0143 171 ASP 24 OD1 0.0041 -0.0615 0.0160 172 ASP 24 OD2 -0.0052 -0.0511 0.0145 173 GLY 25 N 0.0178 -0.0215 0.0016 174 GLY 25 CA 0.0179 -0.0176 -0.0048 175 GLY 25 C 0.0143 -0.0080 -0.0062 176 GLY 25 O 0.0129 -0.0040 -0.0073 177 ALA 26 N 0.0120 0.0006 -0.0136 178 ALA 26 CA 0.0055 0.0113 -0.0161 179 ALA 26 C 0.0119 0.0142 -0.0066 180 ALA 26 O 0.0080 0.0175 -0.0098 181 ALA 26 CB -0.0008 0.0266 -0.0160 182 PHE 27 N -0.0056 0.0115 -0.0308 183 PHE 27 CA 0.0102 0.0224 0.0039 184 PHE 27 C 0.0221 -0.0140 -0.0036 185 PHE 27 O 0.0299 -0.0054 0.0158 186 PHE 27 CB 0.0367 0.0258 0.0508 187 PHE 27 CG 0.0253 0.0613 0.0584 188 PHE 27 CD1 0.0248 0.0461 0.0460 189 PHE 27 CD2 0.0158 0.1096 0.0788 190 PHE 27 CE1 0.0147 0.0774 0.0529 191 PHE 27 CE2 0.0058 0.1415 0.0862 192 PHE 27 CZ 0.0052 0.1254 0.0730 193 TYR 28 N 0.0127 -0.0058 0.0013 194 TYR 28 CA 0.0135 -0.0051 -0.0018 195 TYR 28 C 0.0126 -0.0044 -0.0042 196 TYR 28 O 0.0138 -0.0039 -0.0068 197 TYR 28 CB 0.0171 -0.0052 -0.0022 198 TYR 28 CG 0.0178 -0.0058 -0.0002 199 TYR 28 CD1 0.0169 -0.0055 -0.0011 200 TYR 28 CD2 0.0191 -0.0066 0.0028 201 TYR 28 CE1 0.0173 -0.0060 0.0010 202 TYR 28 CE2 0.0195 -0.0071 0.0048 203 TYR 28 CZ 0.0185 -0.0068 0.0039 204 TYR 28 OH 0.0188 -0.0074 0.0061 205 ARG 29 N 0.0125 -0.0068 -0.0080 206 ARG 29 CA 0.0116 -0.0103 -0.0054 207 ARG 29 C 0.0142 -0.0142 -0.0046 208 ARG 29 O 0.0179 -0.0150 -0.0063 209 ARG 29 CB 0.0117 -0.0103 -0.0055 210 ARG 29 CG 0.0098 -0.0135 -0.0024 211 ARG 29 CD 0.0101 -0.0138 -0.0024 212 ARG 29 NE 0.0085 -0.0098 -0.0039 213 ARG 29 CZ 0.0046 -0.0080 -0.0027 214 ARG 29 NH1 0.0018 -0.0097 0.0001 215 ARG 29 NH2 0.0036 -0.0043 -0.0043 216 ASN 30 N 0.0140 -0.0183 -0.0055 217 ASN 30 CA 0.0155 -0.0215 -0.0050 218 ASN 30 C 0.0157 -0.0185 -0.0130 219 ASN 30 O 0.0188 -0.0228 -0.0160 220 ASN 30 CB 0.0201 -0.0308 -0.0030 221 ASN 30 CG 0.0192 -0.0332 0.0066 222 ASN 30 OD1 0.0204 -0.0363 0.0085 223 ASN 30 ND2 0.0169 -0.0316 0.0130 224 ARG 31 N 0.0153 -0.0109 -0.0043 225 ARG 31 CA 0.0173 -0.0086 -0.0086 226 ARG 31 C 0.0158 -0.0048 -0.0072 227 ARG 31 O 0.0131 -0.0029 -0.0033 228 ARG 31 CB 0.0187 -0.0054 -0.0120 229 ARG 31 CG 0.0206 -0.0092 -0.0138 230 ARG 31 CD 0.0224 -0.0064 -0.0179 231 ARG 31 NE 0.0237 -0.0101 -0.0188 232 ARG 31 CZ 0.0261 -0.0143 -0.0214 233 ARG 31 NH1 0.0277 -0.0155 -0.0236 234 ARG 31 NH2 0.0270 -0.0175 -0.0217 235 GLU 32 N 0.0105 0.0023 -0.0093 236 GLU 32 CA 0.0097 0.0035 -0.0089 237 GLU 32 C 0.0092 0.0047 -0.0098 238 GLU 32 O 0.0094 0.0046 -0.0112 239 GLU 32 CB 0.0097 0.0037 -0.0091 240 GLU 32 CG 0.0102 0.0026 -0.0081 241 GLU 32 CD 0.0097 0.0030 -0.0066 242 GLU 32 OE1 0.0100 0.0024 -0.0054 243 GLU 32 OE2 0.0091 0.0040 -0.0066 244 VAL 33 N 0.0072 0.0030 -0.0060 245 VAL 33 CA 0.0064 0.0037 -0.0071 246 VAL 33 C 0.0053 0.0055 -0.0065 247 VAL 33 O 0.0053 0.0063 -0.0050 248 VAL 33 CB 0.0069 0.0030 -0.0069 249 VAL 33 CG1 0.0080 0.0011 -0.0075 250 VAL 33 CG2 0.0072 0.0035 -0.0049 251 VAL 34 N 0.0026 0.0041 -0.0049 252 VAL 34 CA 0.0018 0.0048 -0.0047 253 VAL 34 C 0.0018 0.0045 -0.0051 254 VAL 34 O 0.0018 0.0037 -0.0058 255 VAL 34 CB 0.0007 0.0051 -0.0052 256 VAL 34 CG1 -0.0001 0.0059 -0.0050 257 VAL 34 CG2 0.0007 0.0055 -0.0048 258 VAL 35 N 0.0012 0.0048 -0.0000 259 VAL 35 CA 0.0008 0.0061 0.0005 260 VAL 35 C -0.0001 0.0084 -0.0000 261 VAL 35 O -0.0003 0.0092 0.0007 262 VAL 35 CB 0.0011 0.0060 0.0029 263 VAL 35 CG1 0.0005 0.0076 0.0033 264 VAL 35 CG2 0.0019 0.0037 0.0032 265 VAL 36 N -0.0016 0.0043 0.0011 266 VAL 36 CA -0.0019 0.0065 0.0004 267 VAL 36 C -0.0022 0.0080 0.0016 268 VAL 36 O -0.0021 0.0078 0.0015 269 VAL 36 CB -0.0020 0.0068 -0.0020 270 VAL 36 CG1 -0.0024 0.0088 -0.0028 271 VAL 36 CG2 -0.0017 0.0048 -0.0033 272 GLY 37 N -0.0019 0.0112 0.0087 273 GLY 37 CA -0.0013 0.0151 0.0118 274 GLY 37 C -0.0019 0.0152 0.0157 275 GLY 37 O -0.0030 0.0119 0.0172 276 LEU 38 N -0.0056 0.0169 0.0266 277 LEU 38 CA -0.0083 0.0162 0.0273 278 LEU 38 C -0.0094 0.0193 0.0288 279 LEU 38 O -0.0080 0.0208 0.0289 280 LEU 38 CB -0.0075 0.0141 0.0263 281 LEU 38 CG -0.0102 0.0132 0.0270 282 LEU 38 CD1 -0.0131 0.0115 0.0275 283 LEU 38 CD2 -0.0089 0.0111 0.0258 284 ASN 39 N -0.0052 0.0178 0.0268 285 ASN 39 CA -0.0060 0.0182 0.0256 286 ASN 39 C -0.0031 0.0161 0.0267 287 ASN 39 O -0.0006 0.0144 0.0277 288 ASN 39 CB -0.0071 0.0184 0.0212 289 ASN 39 CG -0.0049 0.0164 0.0187 290 ASN 39 OD1 -0.0022 0.0143 0.0185 291 ASN 39 ND2 -0.0062 0.0172 0.0167 292 PRO 40 N -0.0046 0.0180 0.0294 293 PRO 40 CA -0.0046 0.0182 0.0293 294 PRO 40 C -0.0039 0.0185 0.0291 295 PRO 40 O -0.0037 0.0184 0.0292 296 PRO 40 CB -0.0052 0.0185 0.0288 297 PRO 40 CG -0.0057 0.0182 0.0290 298 PRO 40 CD -0.0053 0.0181 0.0292 299 GLU 41 N -0.0020 0.0188 0.0257 300 GLU 41 CA -0.0004 0.0141 0.0222 301 GLU 41 C 0.0004 0.0128 0.0221 302 GLU 41 O 0.0033 0.0088 0.0229 303 GLU 41 CB -0.0029 0.0144 0.0165 304 GLU 41 CG -0.0015 0.0095 0.0125 305 GLU 41 CD -0.0042 0.0101 0.0069 306 GLU 41 OE1 -0.0073 0.0143 0.0059 307 GLU 41 OE2 -0.0032 0.0064 0.0034 308 ALA 42 N -0.0001 0.0123 0.0215 309 ALA 42 CA 0.0005 0.0109 0.0210 310 ALA 42 C 0.0004 0.0094 0.0229 311 ALA 42 O 0.0010 0.0076 0.0227 312 ALA 42 CB 0.0003 0.0122 0.0202 313 VAL 43 N -0.0028 0.0147 0.0216 314 VAL 43 CA -0.0016 0.0155 0.0218 315 VAL 43 C -0.0008 0.0147 0.0217 316 VAL 43 O -0.0005 0.0153 0.0218 317 VAL 43 CB -0.0005 0.0159 0.0218 318 VAL 43 CG1 0.0009 0.0165 0.0220 319 VAL 43 CG2 -0.0012 0.0169 0.0220 320 GLU 44 N 0.0012 0.0093 0.0286 321 GLU 44 CA 0.0023 0.0069 0.0292 322 GLU 44 C 0.0085 0.0025 0.0242 323 GLU 44 O 0.0106 -0.0033 0.0263 324 GLU 44 CB -0.0014 0.0137 0.0285 325 GLU 44 CG -0.0078 0.0166 0.0351 326 GLU 44 CD -0.0119 0.0241 0.0344 327 GLU 44 OE1 -0.0112 0.0248 0.0329 328 GLU 44 OE2 -0.0158 0.0291 0.0357 329 GLU 45 N 0.0177 0.0029 0.0253 330 GLU 45 CA 0.0144 -0.0014 0.0212 331 GLU 45 C 0.0134 0.0004 0.0203 332 GLU 45 O 0.0130 -0.0042 0.0194 333 GLU 45 CB 0.0097 -0.0012 0.0161 334 GLU 45 CG 0.0102 -0.0051 0.0163 335 GLU 45 CD 0.0109 -0.0131 0.0162 336 GLU 45 OE1 0.0072 -0.0164 0.0118 337 GLU 45 OE2 0.0148 -0.0160 0.0203 338 ALA 46 N 0.0043 0.0020 0.0179 339 ALA 46 CA 0.0027 0.0044 0.0149 340 ALA 46 C 0.0026 0.0051 0.0141 341 ALA 46 O -0.0002 0.0061 0.0130 342 ALA 46 CB 0.0049 0.0062 0.0125 343 GLN 47 N 0.0011 0.0042 0.0183 344 GLN 47 CA -0.0003 0.0032 0.0194 345 GLN 47 C -0.0010 0.0026 0.0200 346 GLN 47 O -0.0021 0.0014 0.0206 347 GLN 47 CB -0.0008 0.0042 0.0210 348 GLN 47 CG -0.0003 0.0048 0.0208 349 GLN 47 CD -0.0013 0.0050 0.0224 350 GLN 47 OE1 -0.0023 0.0037 0.0227 351 GLN 47 NE2 -0.0010 0.0067 0.0233 352 VAL 48 N 0.0253 -0.0027 0.0170 353 VAL 48 CA 0.0216 -0.0108 0.0170 354 VAL 48 C 0.0148 -0.0088 0.0131 355 VAL 48 O 0.0144 -0.0118 0.0136 356 VAL 48 CB 0.0188 -0.0179 0.0172 357 VAL 48 CG1 0.0142 -0.0262 0.0169 358 VAL 48 CG2 0.0264 -0.0207 0.0216 359 LEU 49 N 0.0084 -0.0040 0.0069 360 LEU 49 CA 0.0058 -0.0042 0.0042 361 LEU 49 C 0.0043 -0.0040 0.0011 362 LEU 49 O 0.0013 -0.0046 -0.0004 363 LEU 49 CB 0.0075 -0.0033 0.0024 364 LEU 49 CG 0.0082 -0.0037 0.0052 365 LEU 49 CD1 0.0106 -0.0026 0.0037 366 LEU 49 CD2 0.0048 -0.0050 0.0065 367 THR 50 N -0.0111 0.0070 0.0031 368 THR 50 CA -0.0127 0.0040 0.0024 369 THR 50 C -0.0156 0.0020 0.0040 370 THR 50 O -0.0171 -0.0007 0.0033 371 THR 50 CB -0.0131 0.0045 0.0033 372 THR 50 OG1 -0.0142 0.0065 0.0064 373 THR 50 CG2 -0.0104 0.0061 0.0014 374 LYS 51 N -0.0112 -0.0077 0.0029 375 LYS 51 CA -0.0156 -0.0097 0.0052 376 LYS 51 C -0.0188 -0.0115 0.0038 377 LYS 51 O -0.0227 -0.0134 0.0051 378 LYS 51 CB -0.0153 -0.0088 0.0109 379 LYS 51 CG -0.0123 -0.0070 0.0127 380 LYS 51 CD -0.0111 -0.0057 0.0181 381 LYS 51 CE -0.0084 -0.0041 0.0200 382 LYS 51 NZ -0.0038 -0.0016 0.0208 383 PHE 52 N 0.0054 -0.0093 -0.0049 384 PHE 52 CA 0.0053 -0.0081 -0.0034 385 PHE 52 C 0.0052 -0.0080 -0.0020 386 PHE 52 O 0.0052 -0.0065 -0.0014 387 PHE 52 CB 0.0052 -0.0087 -0.0023 388 PHE 52 CG 0.0053 -0.0088 -0.0036 389 PHE 52 CD1 0.0054 -0.0072 -0.0044 390 PHE 52 CD2 0.0053 -0.0105 -0.0040 391 PHE 52 CE1 0.0055 -0.0073 -0.0056 392 PHE 52 CE2 0.0054 -0.0107 -0.0052 393 PHE 52 CZ 0.0055 -0.0090 -0.0060 394 ALA 53 N 0.0016 -0.0031 -0.0015 395 ALA 53 CA 0.0022 -0.0032 -0.0034 396 ALA 53 C 0.0019 -0.0043 -0.0040 397 ALA 53 O 0.0014 -0.0044 -0.0029 398 ALA 53 CB 0.0034 -0.0014 -0.0039 399 SER 54 N 0.0073 -0.0009 -0.0076 400 SER 54 CA 0.0076 -0.0016 -0.0059 401 SER 54 C 0.0060 0.0004 -0.0045 402 SER 54 O 0.0058 0.0003 -0.0020 403 SER 54 CB 0.0085 -0.0026 -0.0075 404 SER 54 OG 0.0102 -0.0047 -0.0083 405 THR 55 N 0.0027 0.0042 -0.0077 406 THR 55 CA 0.0021 0.0039 -0.0075 407 THR 55 C 0.0021 0.0057 -0.0079 408 THR 55 O 0.0033 0.0067 -0.0084 409 THR 55 CB 0.0033 0.0027 -0.0074 410 THR 55 OG1 0.0034 0.0009 -0.0070 411 THR 55 CG2 0.0026 0.0024 -0.0072 412 VAL 56 N -0.0041 0.0056 -0.0060 413 VAL 56 CA -0.0028 0.0065 -0.0052 414 VAL 56 C -0.0013 0.0057 -0.0060 415 VAL 56 O -0.0015 0.0049 -0.0067 416 VAL 56 CB -0.0037 0.0073 -0.0045 417 VAL 56 CG1 -0.0023 0.0082 -0.0036 418 VAL 56 CG2 -0.0053 0.0082 -0.0036 419 HIS 57 N -0.0036 0.0049 -0.0057 420 HIS 57 CA -0.0033 0.0041 -0.0054 421 HIS 57 C -0.0040 0.0050 -0.0057 422 HIS 57 O -0.0034 0.0061 -0.0060 423 HIS 57 CB -0.0017 0.0038 -0.0053 424 HIS 57 CG -0.0009 0.0030 -0.0050 425 HIS 57 ND1 -0.0012 0.0015 -0.0046 426 HIS 57 CD2 0.0001 0.0034 -0.0051 427 HIS 57 CE1 -0.0003 0.0010 -0.0044 428 HIS 57 NE2 0.0004 0.0021 -0.0047 429 TRP 58 N -0.0125 0.0031 -0.0016 430 TRP 58 CA -0.0104 0.0062 0.0007 431 TRP 58 C -0.0077 0.0087 -0.0019 432 TRP 58 O -0.0071 0.0091 -0.0037 433 TRP 58 CB -0.0106 0.0067 0.0043 434 TRP 58 CG -0.0089 0.0095 0.0074 435 TRP 58 CD1 -0.0077 0.0111 0.0081 436 TRP 58 CD2 -0.0082 0.0110 0.0101 437 TRP 58 NE1 -0.0063 0.0135 0.0111 438 TRP 58 CE2 -0.0065 0.0136 0.0124 439 TRP 58 CE3 -0.0088 0.0105 0.0108 440 TRP 58 CZ2 -0.0055 0.0155 0.0154 441 TRP 58 CZ3 -0.0077 0.0124 0.0138 442 TRP 58 CH2 -0.0061 0.0149 0.0161 443 ILE 59 N -0.0115 0.0042 0.0051 444 ILE 59 CA -0.0104 0.0051 0.0041 445 ILE 59 C -0.0103 0.0069 0.0050 446 ILE 59 O -0.0103 0.0079 0.0056 447 ILE 59 CB -0.0095 0.0053 0.0028 448 ILE 59 CG1 -0.0096 0.0035 0.0018 449 ILE 59 CG2 -0.0084 0.0064 0.0018 450 ILE 59 CD1 -0.0088 0.0035 0.0006 451 THR 60 N -0.0122 0.0071 0.0114 452 THR 60 CA -0.0116 0.0080 0.0120 453 THR 60 C -0.0093 0.0076 0.0111 454 THR 60 O -0.0088 0.0062 0.0096 455 THR 60 CB -0.0133 0.0075 0.0120 456 THR 60 OG1 -0.0136 0.0058 0.0104 457 THR 60 CG2 -0.0156 0.0078 0.0129 458 PRO 61 N -0.0034 0.0081 0.0177 459 PRO 61 CA 0.0040 0.0058 0.0153 460 PRO 61 C 0.0063 0.0031 0.0096 461 PRO 61 O 0.0122 0.0010 0.0069 462 PRO 61 CB 0.0092 0.0076 0.0219 463 PRO 61 CG 0.0053 0.0100 0.0261 464 PRO 61 CD -0.0030 0.0109 0.0247 465 LYS 62 N 0.0022 0.0042 0.0175 466 LYS 62 CA 0.0056 0.0026 0.0107 467 LYS 62 C -0.0031 0.0030 0.0079 468 LYS 62 O -0.0108 0.0046 0.0121 469 LYS 62 CB 0.0141 0.0025 0.0148 470 LYS 62 CG 0.0111 0.0043 0.0228 471 LYS 62 CD 0.0195 0.0042 0.0274 472 LYS 62 CE 0.0250 0.0051 0.0353 473 LYS 62 NZ 0.0325 0.0052 0.0398 474 ASP 63 N -0.0149 0.0033 0.0100 475 ASP 63 CA -0.0182 0.0009 0.0122 476 ASP 63 C -0.0202 0.0022 0.0162 477 ASP 63 O -0.0194 0.0057 0.0181 478 ASP 63 CB -0.0185 0.0003 0.0122 479 ASP 63 CG -0.0218 -0.0015 0.0150 480 ASP 63 OD1 -0.0229 0.0006 0.0183 481 ASP 63 OD2 -0.0231 -0.0049 0.0138 482 PRO 64 N -0.0194 0.0064 0.0146 483 PRO 64 CA -0.0195 0.0069 0.0138 484 PRO 64 C -0.0196 0.0065 0.0123 485 PRO 64 O -0.0197 0.0067 0.0116 486 PRO 64 CB -0.0195 0.0085 0.0140 487 PRO 64 CG -0.0193 0.0089 0.0151 488 PRO 64 CD -0.0194 0.0076 0.0150 489 HIS 65 N -0.0218 0.0052 0.0146 490 HIS 65 CA -0.0205 0.0025 0.0067 491 HIS 65 C -0.0234 -0.0066 0.0042 492 HIS 65 O -0.0225 -0.0099 -0.0029 493 HIS 65 CB -0.0196 0.0048 0.0067 494 HIS 65 CG -0.0164 0.0140 0.0080 495 HIS 65 ND1 -0.0173 0.0177 0.0158 496 HIS 65 CD2 -0.0125 0.0198 0.0025 497 HIS 65 CE1 -0.0140 0.0255 0.0149 498 HIS 65 NE2 -0.0109 0.0272 0.0070 499 THR 66 N -0.0223 -0.0058 0.0090 500 THR 66 CA -0.0231 -0.0119 0.0088 501 THR 66 C -0.0219 -0.0130 0.0056 502 THR 66 O -0.0217 -0.0180 0.0035 503 THR 66 CB -0.0258 -0.0143 0.0146 504 THR 66 OG1 -0.0267 -0.0106 0.0179 505 THR 66 CG2 -0.0272 -0.0149 0.0178 506 LEU 67 N -0.0141 -0.0114 0.0102 507 LEU 67 CA -0.0143 -0.0077 0.0041 508 LEU 67 C -0.0149 -0.0052 -0.0069 509 LEU 67 O -0.0149 0.0002 -0.0123 510 LEU 67 CB -0.0132 0.0021 0.0087 511 LEU 67 CG -0.0127 0.0004 0.0180 512 LEU 67 CD1 -0.0118 0.0106 0.0204 513 LEU 67 CD2 -0.0134 -0.0079 0.0162 514 ASP 68 N -0.0149 -0.0185 -0.0095 515 ASP 68 CA -0.0184 -0.0211 -0.0326 516 ASP 68 C -0.0190 -0.0003 -0.0476 517 ASP 68 O -0.0211 0.0020 -0.0630 518 ASP 68 CB -0.0212 -0.0417 -0.0426 519 ASP 68 CG -0.0246 -0.0505 -0.0622 520 ASP 68 OD1 -0.0271 -0.0479 -0.0813 521 ASP 68 OD2 -0.0247 -0.0600 -0.0581 522 GLY 69 N -0.0068 0.0073 -0.0315 523 GLY 69 CA -0.0027 0.0158 -0.0369 524 GLY 69 C -0.0036 0.0183 -0.0347 525 GLY 69 O -0.0012 0.0268 -0.0371 526 HIS 70 N -0.0014 0.0093 -0.0209 527 HIS 70 CA -0.0047 0.0145 -0.0136 528 HIS 70 C -0.0091 0.0206 -0.0109 529 HIS 70 O -0.0137 0.0271 -0.0088 530 HIS 70 CB -0.0007 0.0101 -0.0051 531 HIS 70 CG -0.0029 0.0137 0.0010 532 HIS 70 ND1 -0.0061 0.0187 0.0083 533 HIS 70 CD2 -0.0023 0.0128 0.0008 534 HIS 70 CE1 -0.0074 0.0209 0.0122 535 HIS 70 NE2 -0.0052 0.0175 0.0079 536 ALA 71 N 0.0011 0.0189 -0.0078 537 ALA 71 CA 0.0011 0.0228 -0.0041 538 ALA 71 C 0.0023 0.0268 -0.0050 539 ALA 71 O 0.0024 0.0303 -0.0021 540 ALA 71 CB -0.0008 0.0205 0.0006 541 ASP 72 N 0.0080 0.0284 -0.0125 542 ASP 72 CA 0.0113 0.0348 -0.0119 543 ASP 72 C 0.0148 0.0395 -0.0125 544 ASP 72 O 0.0151 0.0453 -0.0095 545 ASP 72 CB 0.0151 0.0339 -0.0160 546 ASP 72 CG 0.0120 0.0308 -0.0148 547 ASP 72 OD1 0.0067 0.0286 -0.0112 548 ASP 72 OD2 0.0149 0.0306 -0.0175 549 GLU 73 N 0.0137 0.0274 -0.0053 550 GLU 73 CA 0.0142 0.0270 -0.0054 551 GLU 73 C 0.0077 0.0278 -0.0046 552 GLU 73 O 0.0070 0.0314 -0.0044 553 GLU 73 CB 0.0173 0.0206 -0.0060 554 GLU 73 CG 0.0190 0.0199 -0.0062 555 GLU 73 CD 0.0220 0.0134 -0.0068 556 GLU 73 OE1 0.0229 0.0093 -0.0070 557 GLU 73 OE2 0.0234 0.0125 -0.0070 558 LEU 74 N 0.0059 0.0223 -0.0007 559 LEU 74 CA 0.0027 0.0227 0.0000 560 LEU 74 C 0.0019 0.0245 -0.0041 561 LEU 74 O -0.0020 0.0257 -0.0050 562 LEU 74 CB 0.0046 0.0210 0.0034 563 LEU 74 CG 0.0017 0.0213 0.0045 564 LEU 74 CD1 -0.0031 0.0215 0.0066 565 LEU 74 CD2 0.0042 0.0195 0.0076 566 LEU 75 N 0.0003 0.0270 -0.0082 567 LEU 75 CA -0.0003 0.0292 -0.0107 568 LEU 75 C -0.0017 0.0336 -0.0157 569 LEU 75 O -0.0035 0.0363 -0.0174 570 LEU 75 CB 0.0041 0.0258 -0.0124 571 LEU 75 CG 0.0050 0.0219 -0.0075 572 LEU 75 CD1 0.0099 0.0181 -0.0094 573 LEU 75 CD2 0.0016 0.0235 -0.0046 574 ALA 76 N 0.0087 0.0360 -0.0266 575 ALA 76 CA 0.0051 0.0347 -0.0284 576 ALA 76 C -0.0087 0.0248 -0.0291 577 ALA 76 O -0.0139 0.0235 -0.0324 578 ALA 76 CB 0.0148 0.0333 -0.0171 579 HIS 77 N -0.0098 0.0147 -0.0200 580 HIS 77 CA -0.0209 0.0086 -0.0196 581 HIS 77 C -0.0249 0.0058 -0.0331 582 HIS 77 O -0.0183 0.0092 -0.0398 583 HIS 77 CB -0.0209 0.0091 -0.0097 584 HIS 77 CG -0.0328 0.0028 -0.0052 585 HIS 77 ND1 -0.0396 -0.0013 -0.0136 586 HIS 77 CD2 -0.0388 0.0000 0.0061 587 HIS 77 CE1 -0.0497 -0.0066 -0.0075 588 HIS 77 NE2 -0.0497 -0.0060 0.0046 589 PRO 78 N -0.0453 -0.0244 -0.0476 590 PRO 78 CA -0.0601 -0.0335 -0.1027 591 PRO 78 C -0.0476 -0.0209 -0.0363 592 PRO 78 O -0.0385 -0.0333 -0.0757 593 PRO 78 CB -0.1679 -0.0134 -0.1505 594 PRO 78 CG -0.1922 -0.0070 -0.1533 595 PRO 78 CD -0.1342 -0.0009 -0.0589 596 SER 79 N -0.0231 0.0011 -0.0215 597 SER 79 CA -0.0190 0.0032 -0.0169 598 SER 79 C -0.0092 0.0018 -0.0158 599 SER 79 O -0.0046 0.0026 -0.0130 600 SER 79 CB -0.0221 0.0089 -0.0091 601 SER 79 OG -0.0313 0.0106 -0.0096 602 VAL 80 N -0.0124 0.0039 -0.0198 603 VAL 80 CA -0.0066 0.0066 -0.0201 604 VAL 80 C -0.0030 0.0041 -0.0253 605 VAL 80 O -0.0043 0.0013 -0.0279 606 VAL 80 CB -0.0060 0.0097 -0.0167 607 VAL 80 CG1 0.0002 0.0122 -0.0173 608 VAL 80 CG2 -0.0086 0.0127 -0.0114 609 LYS 81 N -0.0106 0.0001 -0.0074 610 LYS 81 CA -0.0099 -0.0019 -0.0066 611 LYS 81 C -0.0109 0.0000 -0.0074 612 LYS 81 O -0.0096 0.0025 -0.0088 613 LYS 81 CB -0.0061 -0.0033 -0.0066 614 LYS 81 CG -0.0052 -0.0059 -0.0055 615 LYS 81 CD -0.0017 -0.0077 -0.0052 616 LYS 81 CE -0.0009 -0.0105 -0.0040 617 LYS 81 NZ 0.0004 -0.0094 -0.0048 618 LEU 82 N -0.0186 0.0020 -0.0025 619 LEU 82 CA -0.0178 0.0038 -0.0024 620 LEU 82 C -0.0163 0.0037 -0.0039 621 LEU 82 O -0.0162 0.0027 -0.0046 622 LEU 82 CB -0.0185 0.0043 -0.0014 623 LEU 82 CG -0.0177 0.0060 -0.0013 624 LEU 82 CD1 -0.0174 0.0077 -0.0007 625 LEU 82 CD2 -0.0184 0.0063 -0.0004 626 TRP 83 N -0.0174 0.0014 -0.0025 627 TRP 83 CA -0.0159 0.0010 -0.0028 628 TRP 83 C -0.0171 0.0024 -0.0030 629 TRP 83 O -0.0164 0.0044 -0.0039 630 TRP 83 CB -0.0132 0.0017 -0.0038 631 TRP 83 CG -0.0119 0.0003 -0.0036 632 TRP 83 CD1 -0.0118 0.0010 -0.0039 633 TRP 83 CD2 -0.0107 -0.0021 -0.0030 634 TRP 83 NE1 -0.0106 -0.0008 -0.0035 635 TRP 83 CE2 -0.0099 -0.0028 -0.0029 636 TRP 83 CE3 -0.0103 -0.0038 -0.0024 637 TRP 83 CZ2 -0.0086 -0.0050 -0.0024 638 TRP 83 CZ3 -0.0090 -0.0060 -0.0019 639 TRP 83 CH2 -0.0082 -0.0067 -0.0019 640 GLU 84 N -0.0262 -0.0011 -0.0060 641 GLU 84 CA -0.0190 -0.0013 -0.0047 642 GLU 84 C -0.0099 -0.0030 -0.0057 643 GLU 84 O -0.0088 -0.0058 -0.0108 644 GLU 84 CB -0.0201 -0.0039 -0.0100 645 GLU 84 CG -0.0191 -0.0087 -0.0189 646 GLU 84 CD -0.0174 -0.0113 -0.0236 647 GLU 84 OE1 -0.0186 -0.0095 -0.0204 648 GLU 84 OE2 -0.0139 -0.0151 -0.0302 649 LYS 85 N -0.0150 -0.0009 -0.0062 650 LYS 85 CA 0.0002 -0.0035 -0.0060 651 LYS 85 C -0.0080 -0.0021 -0.0022 652 LYS 85 O -0.0009 -0.0034 -0.0107 653 LYS 85 CB 0.0133 -0.0061 -0.0251 654 LYS 85 CG 0.0227 -0.0079 -0.0310 655 LYS 85 CD 0.0404 -0.0112 -0.0452 656 LYS 85 CE 0.0411 -0.0116 -0.0621 657 LYS 85 NZ 0.0294 -0.0098 -0.0799 658 THR 86 N -0.0137 0.0006 -0.0011 659 THR 86 CA -0.0147 0.0006 -0.0008 660 THR 86 C -0.0142 0.0013 0.0029 661 THR 86 O -0.0143 0.0017 0.0054 662 THR 86 CB -0.0183 0.0003 -0.0022 663 THR 86 OG1 -0.0212 0.0007 0.0000 664 THR 86 CG2 -0.0190 -0.0003 -0.0059 665 ARG 87 N -0.0194 0.0022 0.0130 666 ARG 87 CA -0.0175 0.0065 0.0126 667 ARG 87 C -0.0184 -0.0003 0.0082 668 ARG 87 O -0.0174 -0.0052 0.0011 669 ARG 87 CB -0.0119 0.0146 0.0073 670 ARG 87 CG -0.0103 0.0220 0.0107 671 ARG 87 CD -0.0052 0.0267 0.0033 672 ARG 87 NE -0.0014 0.0325 0.0000 673 ARG 87 CZ 0.0014 0.0415 0.0022 674 ARG 87 NH1 0.0007 0.0460 0.0081 675 ARG 87 NH2 0.0049 0.0460 -0.0018 676 LEU 88 N -0.0088 0.0024 0.0043 677 LEU 88 CA -0.0067 0.0025 0.0034 678 LEU 88 C -0.0068 0.0029 0.0024 679 LEU 88 O -0.0080 0.0035 0.0011 680 LEU 88 CB -0.0060 0.0029 0.0019 681 LEU 88 CG -0.0039 0.0031 0.0006 682 LEU 88 CD1 -0.0021 0.0023 0.0019 683 LEU 88 CD2 -0.0034 0.0035 -0.0006 684 ILE 89 N -0.0054 0.0031 0.0021 685 ILE 89 CA -0.0042 0.0033 0.0021 686 ILE 89 C -0.0047 0.0037 0.0029 687 ILE 89 O -0.0038 0.0042 0.0035 688 ILE 89 CB -0.0038 0.0026 0.0007 689 ILE 89 CG1 -0.0034 0.0020 -0.0002 690 ILE 89 CG2 -0.0026 0.0028 0.0007 691 ILE 89 CD1 -0.0022 0.0025 0.0001 692 ARG 90 N -0.0007 0.0028 0.0051 693 ARG 90 CA -0.0009 0.0035 0.0059 694 ARG 90 C -0.0005 0.0049 0.0051 695 ARG 90 O -0.0002 0.0057 0.0044 696 ARG 90 CB -0.0013 0.0040 0.0074 697 ARG 90 CG -0.0016 0.0046 0.0085 698 ARG 90 CD -0.0021 0.0046 0.0100 699 ARG 90 NE -0.0023 0.0030 0.0104 700 ARG 90 CZ -0.0025 0.0023 0.0106 701 ARG 90 NH1 -0.0024 0.0030 0.0106 702 ARG 90 NH2 -0.0027 0.0008 0.0108 703 ILE 91 N 0.0022 -0.0003 0.0088 704 ILE 91 CA 0.0038 0.0009 0.0081 705 ILE 91 C 0.0041 0.0018 0.0093 706 ILE 91 O 0.0032 0.0011 0.0097 707 ILE 91 CB 0.0043 0.0004 0.0059 708 ILE 91 CG1 0.0040 -0.0005 0.0047 709 ILE 91 CG2 0.0060 0.0017 0.0052 710 ILE 91 CD1 0.0040 -0.0014 0.0027 711 LYS 92 N 0.0052 0.0058 0.0072 712 LYS 92 CA 0.0053 0.0064 0.0082 713 LYS 92 C 0.0053 0.0075 0.0079 714 LYS 92 O 0.0053 0.0079 0.0071 715 LYS 92 CB 0.0053 0.0064 0.0085 716 LYS 92 CG 0.0052 0.0054 0.0088 717 LYS 92 CD 0.0053 0.0055 0.0090 718 LYS 92 CE 0.0053 0.0051 0.0100 719 LYS 92 NZ 0.0052 0.0039 0.0100 720 GLY 93 N 0.0106 0.0127 0.0086 721 GLY 93 CA 0.0083 0.0124 0.0094 722 GLY 93 C 0.0113 0.0120 0.0079 723 GLY 93 O 0.0151 0.0110 0.0060 724 GLU 94 N 0.0179 0.0122 0.0006 725 GLU 94 CA 0.0185 0.0079 -0.0046 726 GLU 94 C 0.0137 0.0237 0.0166 727 GLU 94 O 0.0114 0.0374 0.0338 728 GLU 94 CB -0.0010 -0.0140 -0.0136 729 GLU 94 CG 0.0011 -0.0315 -0.0347 730 GLU 94 CD -0.0195 -0.0524 -0.0417 731 GLU 94 OE1 -0.0144 -0.0668 -0.0618 732 GLU 94 OE2 -0.0405 -0.0540 -0.0270 733 GLU 95 N -0.0058 0.0374 0.0465 734 GLU 95 CA 0.0009 0.0272 0.0215 735 GLU 95 C 0.0133 0.0161 0.0425 736 GLU 95 O 0.0066 0.0226 0.0352 737 GLU 95 CB 0.0193 0.0037 -0.0065 738 GLU 95 CG 0.0254 -0.0066 -0.0371 739 GLU 95 CD 0.0048 0.0121 -0.0698 740 GLU 95 OE1 0.0014 0.0136 -0.0884 741 GLU 95 OE2 -0.0078 0.0252 -0.0758 742 ALA 96 N -0.0068 0.0161 0.0237 743 ALA 96 CA -0.0180 0.0174 0.0243 744 ALA 96 C -0.0125 0.0167 0.0239 745 ALA 96 O -0.0176 0.0205 0.0309 746 ALA 96 CB -0.0290 0.0130 0.0127 747 GLY 97 N -0.0045 0.0202 0.0241 748 GLY 97 CA 0.0002 0.0154 0.0205 749 GLY 97 C 0.0034 0.0122 0.0151 750 GLY 97 O 0.0030 0.0126 0.0156 751 VAL 98 N 0.0041 0.0085 0.0084 752 VAL 98 CA 0.0052 0.0065 0.0062 753 VAL 98 C 0.0038 0.0068 0.0040 754 VAL 98 O 0.0016 0.0082 0.0030 755 VAL 98 CB 0.0057 0.0054 0.0047 756 VAL 98 CG1 0.0069 0.0033 0.0023 757 VAL 98 CG2 0.0073 0.0049 0.0069 758 THR 99 N 0.0034 0.0060 0.0071 759 THR 99 CA 0.0023 0.0064 0.0049 760 THR 99 C 0.0040 0.0064 0.0030 761 THR 99 O 0.0034 0.0067 0.0012 762 THR 99 CB 0.0011 0.0067 0.0043 763 THR 99 OG1 0.0025 0.0065 0.0043 764 THR 99 CG2 -0.0009 0.0067 0.0059 765 ALA 100 N 0.0029 0.0073 0.0022 766 ALA 100 CA 0.0030 0.0065 0.0017 767 ALA 100 C 0.0032 0.0049 0.0016 768 ALA 100 O 0.0031 0.0043 0.0022 769 ALA 100 CB 0.0028 0.0067 0.0026 770 VAL 101 N -0.0003 0.0041 -0.0003 771 VAL 101 CA -0.0006 0.0030 -0.0003 772 VAL 101 C -0.0006 0.0020 0.0003 773 VAL 101 O -0.0005 0.0020 0.0004 774 VAL 101 CB -0.0012 0.0027 -0.0015 775 VAL 101 CG1 -0.0012 0.0036 -0.0021 776 VAL 101 CG2 -0.0015 0.0025 -0.0022 777 GLU 102 N -0.0034 0.0009 0.0006 778 GLU 102 CA -0.0037 0.0004 0.0012 779 GLU 102 C -0.0048 0.0004 0.0012 780 GLU 102 O -0.0053 0.0009 0.0006 781 GLU 102 CB -0.0032 0.0005 0.0010 782 GLU 102 CG -0.0033 -0.0000 0.0016 783 GLU 102 CD -0.0029 0.0002 0.0014 784 GLU 102 OE1 -0.0022 0.0007 0.0008 785 GLU 102 OE2 -0.0032 -0.0001 0.0017 786 VAL 103 N -0.0095 -0.0030 -0.0026 787 VAL 103 CA -0.0110 -0.0031 -0.0026 788 VAL 103 C -0.0107 -0.0046 -0.0023 789 VAL 103 O -0.0097 -0.0058 -0.0021 790 VAL 103 CB -0.0127 -0.0034 -0.0025 791 VAL 103 CG1 -0.0131 -0.0018 -0.0027 792 VAL 103 CG2 -0.0129 -0.0050 -0.0022 793 ARG 104 N -0.0148 -0.0041 -0.0039 794 ARG 104 CA -0.0149 -0.0042 -0.0038 795 ARG 104 C -0.0162 -0.0035 -0.0028 796 ARG 104 O -0.0168 -0.0021 -0.0028 797 ARG 104 CB -0.0139 -0.0034 -0.0050 798 ARG 104 CG -0.0139 -0.0034 -0.0050 799 ARG 104 CD -0.0132 -0.0022 -0.0061 800 ARG 104 NE -0.0118 -0.0029 -0.0072 801 ARG 104 CZ -0.0110 -0.0021 -0.0083 802 ARG 104 NH1 -0.0113 -0.0006 -0.0086 803 ARG 104 NH2 -0.0098 -0.0029 -0.0092 804 HIS 105 N -0.0240 -0.0001 -0.0065 805 HIS 105 CA -0.0154 -0.0038 -0.0113 806 HIS 105 C -0.0102 -0.0097 -0.0071 807 HIS 105 O -0.0125 -0.0090 -0.0051 808 HIS 105 CB -0.0144 0.0005 -0.0211 809 HIS 105 CG -0.0081 -0.0006 -0.0278 810 HIS 105 ND1 -0.0104 0.0027 -0.0311 811 HIS 105 CD2 -0.0001 -0.0044 -0.0315 812 HIS 105 CE1 -0.0037 0.0008 -0.0368 813 HIS 105 NE2 0.0027 -0.0035 -0.0373 814 PRO 106 N -0.0118 -0.0089 -0.0068 815 PRO 106 CA -0.0071 -0.0120 -0.0042 816 PRO 106 C -0.0044 -0.0150 -0.0070 817 PRO 106 O -0.0042 -0.0166 -0.0119 818 PRO 106 CB -0.0054 -0.0134 -0.0043 819 PRO 106 CG -0.0095 -0.0100 -0.0043 820 PRO 106 CD -0.0132 -0.0081 -0.0078 821 GLY 107 N -0.0192 -0.0138 -0.0114 822 GLY 107 CA -0.0247 -0.0060 -0.0096 823 GLY 107 C -0.0246 -0.0039 -0.0081 824 GLY 107 O -0.0304 0.0013 -0.0085 825 GLU 108 N -0.0190 -0.0077 -0.0082 826 GLU 108 CA -0.0198 -0.0059 -0.0082 827 GLU 108 C -0.0212 -0.0055 -0.0066 828 GLU 108 O -0.0218 -0.0046 -0.0063 829 GLU 108 CB -0.0197 -0.0045 -0.0091 830 GLU 108 CG -0.0184 -0.0040 -0.0108 831 GLU 108 CD -0.0184 -0.0029 -0.0114 832 GLU 108 OE1 -0.0194 -0.0022 -0.0105 833 GLU 108 OE2 -0.0174 -0.0028 -0.0128 834 SER 109 N -0.0230 -0.0037 -0.0088 835 SER 109 CA -0.0211 -0.0040 -0.0127 836 SER 109 C -0.0154 -0.0071 -0.0133 837 SER 109 O -0.0131 -0.0075 -0.0180 838 SER 109 CB -0.0237 -0.0028 -0.0117 839 SER 109 OG -0.0227 -0.0024 -0.0166 840 ASP 110 N -0.0128 -0.0057 -0.0120 841 ASP 110 CA -0.0108 -0.0111 -0.0128 842 ASP 110 C -0.0140 -0.0105 -0.0098 843 ASP 110 O -0.0188 -0.0087 -0.0056 844 ASP 110 CB -0.0107 -0.0186 -0.0113 845 ASP 110 CG -0.0062 -0.0199 -0.0153 846 ASP 110 OD1 -0.0017 -0.0201 -0.0197 847 ASP 110 OD2 -0.0073 -0.0207 -0.0141 848 SER 111 N -0.0065 -0.0097 -0.0073 849 SER 111 CA -0.0075 -0.0089 -0.0067 850 SER 111 C -0.0078 -0.0122 -0.0054 851 SER 111 O -0.0063 -0.0149 -0.0057 852 SER 111 CB -0.0056 -0.0071 -0.0089 853 SER 111 OG -0.0053 -0.0039 -0.0102 854 GLN 112 N -0.0078 -0.0118 0.0004 855 GLN 112 CA -0.0069 -0.0117 0.0006 856 GLN 112 C -0.0058 -0.0103 -0.0008 857 GLN 112 O -0.0066 -0.0094 -0.0023 858 GLN 112 CB -0.0085 -0.0122 0.0006 859 GLN 112 CG -0.0077 -0.0127 0.0016 860 GLN 112 CD -0.0089 -0.0126 0.0010 861 GLN 112 OE1 -0.0087 -0.0116 -0.0003 862 GLN 112 NE2 -0.0102 -0.0138 0.0020 863 GLU 113 N -0.0017 -0.0062 0.0015 864 GLU 113 CA -0.0009 -0.0030 0.0007 865 GLU 113 C -0.0017 -0.0013 -0.0015 866 GLU 113 O -0.0016 -0.0014 -0.0013 867 GLU 113 CB 0.0014 -0.0014 0.0032 868 GLU 113 CG 0.0023 0.0018 0.0026 869 GLU 113 CD 0.0044 0.0029 0.0051 870 GLU 113 OE1 0.0046 0.0015 0.0064 871 GLU 113 OE2 0.0057 0.0052 0.0057 872 LEU 114 N 0.0002 0.0005 -0.0015 873 LEU 114 CA -0.0006 0.0014 -0.0026 874 LEU 114 C 0.0005 0.0036 -0.0030 875 LEU 114 O 0.0005 0.0046 -0.0036 876 LEU 114 CB -0.0026 0.0013 -0.0040 877 LEU 114 CG -0.0039 -0.0008 -0.0038 878 LEU 114 CD1 -0.0058 -0.0008 -0.0051 879 LEU 114 CD2 -0.0041 -0.0014 -0.0035 880 LEU 115 N 0.0037 0.0060 -0.0032 881 LEU 115 CA 0.0040 0.0072 -0.0033 882 LEU 115 C 0.0050 0.0065 -0.0059 883 LEU 115 O 0.0059 0.0067 -0.0079 884 LEU 115 CB 0.0045 0.0103 -0.0027 885 LEU 115 CG 0.0036 0.0112 -0.0000 886 LEU 115 CD1 0.0043 0.0141 0.0000 887 LEU 115 CD2 0.0025 0.0110 0.0022 888 ALA 116 N 0.0052 0.0062 -0.0060 889 ALA 116 CA 0.0056 0.0059 -0.0072 890 ALA 116 C 0.0056 0.0061 -0.0070 891 ALA 116 O 0.0051 0.0059 -0.0059 892 ALA 116 CB 0.0054 0.0045 -0.0078 893 GLU 117 N 0.0076 0.0056 -0.0082 894 GLU 117 CA 0.0079 0.0046 -0.0097 895 GLU 117 C 0.0075 0.0054 -0.0097 896 GLU 117 O 0.0075 0.0051 -0.0111 897 GLU 117 CB 0.0089 0.0025 -0.0090 898 GLU 117 CG 0.0093 0.0014 -0.0096 899 GLU 117 CD 0.0103 -0.0004 -0.0083 900 GLU 117 OE1 0.0104 -0.0002 -0.0064 901 GLU 117 OE2 0.0109 -0.0020 -0.0092 902 GLY 118 N 0.0081 0.0029 -0.0063 903 GLY 118 CA 0.0080 0.0015 -0.0074 904 GLY 118 C 0.0069 0.0016 -0.0071 905 GLY 118 O 0.0071 0.0027 -0.0062 906 VAL 119 N 0.0057 -0.0011 -0.0055 907 VAL 119 CA 0.0049 -0.0009 -0.0054 908 VAL 119 C 0.0053 -0.0022 -0.0061 909 VAL 119 O 0.0049 -0.0034 -0.0068 910 VAL 119 CB 0.0031 -0.0008 -0.0051 911 VAL 119 CG1 0.0025 -0.0005 -0.0049 912 VAL 119 CG2 0.0027 0.0004 -0.0044 913 PHE 120 N 0.0012 -0.0027 -0.0046 914 PHE 120 CA 0.0033 -0.0048 -0.0041 915 PHE 120 C 0.0029 -0.0026 -0.0039 916 PHE 120 O 0.0038 0.0007 -0.0029 917 PHE 120 CB 0.0073 -0.0053 -0.0025 918 PHE 120 CG 0.0078 -0.0079 -0.0027 919 PHE 120 CD1 0.0072 -0.0064 -0.0027 920 PHE 120 CD2 0.0090 -0.0117 -0.0028 921 PHE 120 CE1 0.0079 -0.0088 -0.0028 922 PHE 120 CE2 0.0097 -0.0141 -0.0030 923 PHE 120 CZ 0.0091 -0.0126 -0.0030 924 VAL 121 N 0.0020 -0.0028 -0.0059 925 VAL 121 CA 0.0016 -0.0021 -0.0059 926 VAL 121 C 0.0013 -0.0017 -0.0057 927 VAL 121 O 0.0013 -0.0017 -0.0061 928 VAL 121 CB 0.0014 -0.0019 -0.0068 929 VAL 121 CG1 0.0009 -0.0011 -0.0069 930 VAL 121 CG2 0.0017 -0.0023 -0.0071 931 TYR 122 N 0.0008 0.0061 -0.0012 932 TYR 122 CA 0.0013 0.0072 0.0007 933 TYR 122 C 0.0003 0.0107 0.0005 934 TYR 122 O 0.0006 0.0127 0.0026 935 TYR 122 CB 0.0029 0.0065 0.0040 936 TYR 122 CG 0.0039 0.0029 0.0041 937 TYR 122 CD1 0.0042 0.0008 0.0035 938 TYR 122 CD2 0.0045 0.0018 0.0047 939 TYR 122 CE1 0.0050 -0.0026 0.0033 940 TYR 122 CE2 0.0053 -0.0015 0.0047 941 TYR 122 CZ 0.0056 -0.0037 0.0039 942 TYR 122 OH 0.0064 -0.0070 0.0037 943 LEU 123 N 0.0073 0.0056 -0.0036 944 LEU 123 CA 0.0049 0.0050 -0.0030 945 LEU 123 C 0.0034 0.0051 -0.0054 946 LEU 123 O 0.0041 0.0056 -0.0071 947 LEU 123 CB 0.0050 0.0048 -0.0015 948 LEU 123 CG 0.0065 0.0047 0.0009 949 LEU 123 CD1 0.0068 0.0046 0.0020 950 LEU 123 CD2 0.0054 0.0042 0.0028 951 GLN 124 N 0.0073 -0.0067 -0.0045 952 GLN 124 CA -0.0030 0.0060 -0.0134 953 GLN 124 C 0.0050 0.0094 -0.0141 954 GLN 124 O 0.0123 -0.0019 -0.0065 955 GLN 124 CB -0.0251 0.0003 -0.0138 956 GLN 124 CG -0.0335 -0.0005 -0.0147 957 GLN 124 CD -0.0544 -0.0089 -0.0132 958 GLN 124 OE1 -0.0589 -0.0229 -0.0060 959 GLN 124 NE2 -0.0675 -0.0004 -0.0202 960 GLY 125 N -0.0016 -0.0129 -0.0369 961 GLY 125 CA 0.0031 -0.0152 -0.0299 962 GLY 125 C 0.0031 -0.0140 -0.0295 963 GLY 125 O -0.0007 -0.0121 -0.0349 964 SER 126 N 0.0384 -0.0027 -0.0236 965 SER 126 CA 0.0497 0.0123 -0.0073 966 SER 126 C 0.0434 0.0080 0.0023 967 SER 126 O 0.0540 0.0201 0.0086 968 SER 126 CB 0.0689 0.0288 -0.0218 969 SER 126 OG 0.0695 0.0248 -0.0430 970 LYS 127 N 0.0261 -0.0157 -0.0143 971 LYS 127 CA 0.0202 -0.0222 -0.0106 972 LYS 127 C 0.0216 -0.0267 -0.0070 973 LYS 127 O 0.0272 -0.0244 -0.0076 974 LYS 127 CB 0.0106 -0.0205 -0.0138 975 LYS 127 CG 0.0085 -0.0156 -0.0178 976 LYS 127 CD 0.0069 -0.0197 -0.0150 977 LYS 127 CE 0.0097 -0.0151 -0.0179 978 LYS 127 NZ 0.0178 -0.0174 -0.0146 979 LYS 127 OXT 0.0165 -0.0324 -0.0038