1 PRO 1 N -0.0264 -0.0520 0.0062 2 PRO 1 CA -0.0448 -0.0174 0.0317 3 PRO 1 C -0.0507 -0.0293 0.0308 4 PRO 1 O -0.0204 -0.0303 0.0108 5 PRO 1 CB -0.0159 0.0282 0.0308 6 PRO 1 CG 0.0231 0.0169 0.0011 7 PRO 1 CD 0.0184 -0.0343 -0.0159 8 GLU 2 N -0.0364 -0.0359 0.0161 9 GLU 2 CA -0.0498 -0.0104 0.0470 10 GLU 2 C -0.0825 -0.0031 0.0301 11 GLU 2 O -0.0777 -0.0188 0.0078 12 GLU 2 CB -0.0159 -0.0118 0.0751 13 GLU 2 CG 0.0109 -0.0119 0.0990 14 GLU 2 CD 0.0468 -0.0153 0.1256 15 GLU 2 OE1 0.0564 -0.0009 0.1585 16 GLU 2 OE2 0.0652 -0.0334 0.1116 17 PHE 3 N -0.0890 -0.0192 0.0349 18 PHE 3 CA -0.0795 0.0171 0.0426 19 PHE 3 C -0.1327 0.0110 0.0590 20 PHE 3 O -0.1456 -0.0326 0.0502 21 PHE 3 CB -0.0298 0.0003 0.0205 22 PHE 3 CG 0.0256 0.0134 0.0055 23 PHE 3 CD1 0.0563 0.0654 0.0106 24 PHE 3 CD2 0.0472 -0.0259 -0.0138 25 PHE 3 CE1 0.1078 0.0778 -0.0033 26 PHE 3 CE2 0.0987 -0.0132 -0.0276 27 PHE 3 CZ 0.1289 0.0385 -0.0224 28 LEU 4 N -0.1102 0.0074 0.0317 29 LEU 4 CA -0.0948 0.0068 0.0274 30 LEU 4 C -0.0977 0.0084 0.0283 31 LEU 4 O -0.1063 -0.0018 0.0299 32 LEU 4 CB -0.0866 -0.0094 0.0240 33 LEU 4 CG -0.0823 -0.0113 0.0227 34 LEU 4 CD1 -0.0763 -0.0287 0.0198 35 LEU 4 CD2 -0.0694 0.0009 0.0201 36 GLY 5 N -0.0820 0.0016 0.0089 37 GLY 5 CA -0.0717 0.0014 0.0044 38 GLY 5 C -0.0565 -0.0123 0.0071 39 GLY 5 O -0.0516 -0.0188 0.0095 40 GLU 6 N -0.0396 -0.0070 -0.0001 41 GLU 6 CA -0.0314 -0.0088 0.0046 42 GLU 6 C -0.0262 -0.0082 0.0055 43 GLU 6 O -0.0207 -0.0110 0.0105 44 GLU 6 CB -0.0260 -0.0052 0.0019 45 GLU 6 CG -0.0297 -0.0068 0.0027 46 GLU 6 CD -0.0241 -0.0034 0.0002 47 GLU 6 OE1 -0.0219 -0.0061 0.0041 48 GLU 6 OE2 -0.0222 0.0019 -0.0057 49 GLU 7 N -0.0323 -0.0038 -0.0029 50 GLU 7 CA -0.0246 -0.0016 -0.0046 51 GLU 7 C -0.0293 -0.0090 0.0032 52 GLU 7 O -0.0205 -0.0103 0.0055 53 GLU 7 CB -0.0268 0.0092 -0.0169 54 GLU 7 CG -0.0215 0.0169 -0.0249 55 GLU 7 CD -0.0191 0.0277 -0.0367 56 GLU 7 OE1 -0.0083 0.0329 -0.0415 57 GLU 7 OE2 -0.0280 0.0307 -0.0409 58 ASP 8 N -0.0359 -0.0145 0.0017 59 ASP 8 CA -0.0393 -0.0174 0.0054 60 ASP 8 C -0.0357 -0.0309 0.0140 61 ASP 8 O -0.0385 -0.0348 0.0183 62 ASP 8 CB -0.0544 -0.0117 0.0082 63 ASP 8 CG -0.0582 0.0020 -0.0004 64 ASP 8 OD1 -0.0507 0.0070 -0.0076 65 ASP 8 OD2 -0.0689 0.0072 0.0006 66 ILE 9 N -0.0219 -0.0326 0.0171 67 ILE 9 CA -0.0208 -0.0363 0.0193 68 ILE 9 C -0.0146 -0.0367 0.0248 69 ILE 9 O -0.0111 -0.0313 0.0262 70 ILE 9 CB -0.0227 -0.0330 0.0166 71 ILE 9 CG1 -0.0289 -0.0328 0.0111 72 ILE 9 CG2 -0.0215 -0.0372 0.0190 73 ILE 9 CD1 -0.0311 -0.0292 0.0080 74 PRO 10 N -0.0067 -0.0512 0.0274 75 PRO 10 CA 0.0022 -0.0514 0.0408 76 PRO 10 C 0.0033 -0.0394 0.0428 77 PRO 10 O -0.0009 -0.0406 0.0364 78 PRO 10 CB 0.0042 -0.0683 0.0433 79 PRO 10 CG -0.0023 -0.0780 0.0332 80 PRO 10 CD -0.0102 -0.0669 0.0216 81 ARG 11 N 0.0028 -0.0349 0.0471 82 ARG 11 CA 0.0037 -0.0190 0.0514 83 ARG 11 C 0.0047 -0.0181 0.0647 84 ARG 11 O 0.0055 -0.0056 0.0699 85 ARG 11 CB 0.0043 -0.0098 0.0548 86 ARG 11 CG 0.0033 -0.0086 0.0404 87 ARG 11 CD 0.0039 0.0021 0.0434 88 ARG 11 NE 0.0029 0.0029 0.0298 89 ARG 11 CZ 0.0031 0.0133 0.0269 90 ARG 11 NH1 0.0042 0.0244 0.0364 91 ARG 11 NH2 0.0021 0.0125 0.0141 92 GLU 12 N 0.0047 -0.0250 0.0704 93 GLU 12 CA 0.0090 -0.0292 0.0868 94 GLU 12 C 0.0016 -0.0247 0.0507 95 GLU 12 O 0.0009 -0.0370 0.0126 96 GLU 12 CB 0.0295 -0.0695 0.1085 97 GLU 12 CG 0.0364 -0.0710 0.1492 98 GLU 12 CD 0.0561 -0.1077 0.1764 99 GLU 12 OE1 0.0616 -0.1073 0.2132 100 GLU 12 OE2 0.0651 -0.1346 0.1607 101 PRO 13 N -0.0032 -0.0166 0.0435 102 PRO 13 CA -0.0041 -0.0125 0.0312 103 PRO 13 C 0.0056 -0.0189 0.0244 104 PRO 13 O 0.0101 -0.0239 0.0292 105 PRO 13 CB -0.0122 -0.0063 0.0330 106 PRO 13 CG -0.0181 -0.0047 0.0456 107 PRO 13 CD -0.0103 -0.0131 0.0528 108 ARG 14 N 0.0041 -0.0136 0.0128 109 ARG 14 CA 0.0090 -0.0171 0.0085 110 ARG 14 C 0.0070 -0.0177 0.0012 111 ARG 14 O 0.0017 -0.0156 -0.0013 112 ARG 14 CB 0.0114 -0.0181 0.0092 113 ARG 14 CG 0.0065 -0.0162 0.0067 114 ARG 14 CD 0.0086 -0.0167 0.0093 115 ARG 14 NE 0.0045 -0.0153 0.0064 116 ARG 14 CZ -0.0008 -0.0121 0.0082 117 ARG 14 NH1 -0.0035 -0.0096 0.0130 118 ARG 14 NH2 -0.0038 -0.0114 0.0048 119 ARG 15 N 0.0074 -0.0041 -0.0002 120 ARG 15 CA 0.0076 -0.0012 -0.0046 121 ARG 15 C 0.0123 -0.0004 -0.0052 122 ARG 15 O 0.0164 -0.0004 -0.0046 123 ARG 15 CB 0.0072 0.0007 -0.0074 124 ARG 15 CG 0.0074 0.0038 -0.0121 125 ARG 15 CD 0.0067 0.0055 -0.0149 126 ARG 15 NE 0.0067 0.0085 -0.0194 127 ARG 15 CZ 0.0107 0.0104 -0.0218 128 ARG 15 NH1 0.0151 0.0099 -0.0204 129 ARG 15 NH2 0.0102 0.0130 -0.0257 130 ILE 16 N 0.0060 0.0011 -0.0091 131 ILE 16 CA 0.0077 0.0014 -0.0096 132 ILE 16 C 0.0075 0.0025 -0.0123 133 ILE 16 O 0.0054 0.0029 -0.0133 134 ILE 16 CB 0.0070 0.0007 -0.0082 135 ILE 16 CG1 0.0071 -0.0004 -0.0055 136 ILE 16 CG2 0.0088 0.0010 -0.0088 137 ILE 16 CD1 0.0058 -0.0011 -0.0039 138 VAL 17 N 0.0102 0.0081 -0.0113 139 VAL 17 CA 0.0102 0.0087 -0.0139 140 VAL 17 C 0.0109 0.0088 -0.0126 141 VAL 17 O 0.0131 0.0097 -0.0112 142 VAL 17 CB 0.0122 0.0103 -0.0163 143 VAL 17 CG1 0.0120 0.0108 -0.0190 144 VAL 17 CG2 0.0114 0.0101 -0.0176 145 ILE 18 N 0.0086 0.0099 -0.0141 146 ILE 18 CA 0.0080 0.0097 -0.0134 147 ILE 18 C 0.0078 0.0092 -0.0159 148 ILE 18 O 0.0065 0.0084 -0.0177 149 ILE 18 CB 0.0057 0.0089 -0.0115 150 ILE 18 CG1 0.0060 0.0094 -0.0090 151 ILE 18 CG2 0.0051 0.0087 -0.0107 152 ILE 18 CD1 0.0037 0.0086 -0.0071 153 HIS 19 N 0.0087 0.0130 -0.0132 154 HIS 19 CA 0.0079 0.0112 -0.0151 155 HIS 19 C 0.0046 0.0094 -0.0131 156 HIS 19 O 0.0039 0.0106 -0.0099 157 HIS 19 CB 0.0103 0.0131 -0.0156 158 HIS 19 CG 0.0135 0.0146 -0.0179 159 HIS 19 ND1 0.0144 0.0134 -0.0216 160 HIS 19 CD2 0.0159 0.0174 -0.0168 161 HIS 19 CE1 0.0174 0.0154 -0.0226 162 HIS 19 NE2 0.0184 0.0179 -0.0198 163 ARG 20 N 0.0047 0.0072 -0.0119 164 ARG 20 CA 0.0023 0.0054 -0.0104 165 ARG 20 C 0.0005 0.0054 -0.0090 166 ARG 20 O 0.0010 0.0044 -0.0098 167 ARG 20 CB 0.0024 0.0022 -0.0118 168 ARG 20 CG -0.0001 0.0004 -0.0104 169 ARG 20 CD 0.0000 -0.0029 -0.0118 170 ARG 20 NE 0.0019 -0.0030 -0.0134 171 ARG 20 CZ 0.0016 -0.0029 -0.0131 172 ARG 20 NH1 -0.0005 -0.0026 -0.0113 173 ARG 20 NH2 0.0034 -0.0032 -0.0148 174 GLY 21 N -0.0024 0.0088 -0.0073 175 GLY 21 CA -0.0050 0.0096 -0.0012 176 GLY 21 C -0.0059 0.0031 0.0023 177 GLY 21 O -0.0045 -0.0023 -0.0001 178 SER 22 N -0.0261 0.0002 0.0345 179 SER 22 CA -0.0284 -0.0170 0.0479 180 SER 22 C -0.0203 -0.0158 0.0425 181 SER 22 O -0.0126 -0.0318 0.0494 182 SER 22 CB -0.0528 -0.0171 0.0617 183 SER 22 OG -0.0666 0.0028 0.0555 184 THR 23 N -0.0124 -0.0035 0.0105 185 THR 23 CA -0.0089 -0.0024 0.0073 186 THR 23 C -0.0036 -0.0018 0.0041 187 THR 23 O -0.0010 -0.0003 0.0007 188 THR 23 CB -0.0127 0.0008 0.0041 189 THR 23 OG1 -0.0154 0.0034 0.0012 190 THR 23 CG2 -0.0175 0.0001 0.0072 191 GLY 24 N -0.0022 -0.0031 0.0029 192 GLY 24 CA -0.0002 -0.0045 -0.0031 193 GLY 24 C -0.0011 0.0003 -0.0073 194 GLY 24 O -0.0031 0.0051 -0.0065 195 LEU 25 N -0.0022 0.0029 -0.0076 196 LEU 25 CA -0.0011 0.0047 -0.0079 197 LEU 25 C -0.0019 0.0064 -0.0066 198 LEU 25 O -0.0011 0.0081 -0.0067 199 LEU 25 CB 0.0000 0.0045 -0.0090 200 LEU 25 CG 0.0011 0.0030 -0.0104 201 LEU 25 CD1 0.0020 0.0027 -0.0113 202 LEU 25 CD2 0.0022 0.0037 -0.0111 203 GLY 26 N -0.0046 0.0062 -0.0053 204 GLY 26 CA -0.0052 0.0074 -0.0038 205 GLY 26 C -0.0052 0.0083 -0.0030 206 GLY 26 O -0.0050 0.0095 -0.0020 207 PHE 27 N -0.0060 0.0075 -0.0019 208 PHE 27 CA -0.0061 0.0082 -0.0015 209 PHE 27 C -0.0068 0.0071 -0.0017 210 PHE 27 O -0.0068 0.0059 -0.0023 211 PHE 27 CB -0.0047 0.0090 -0.0020 212 PHE 27 CG -0.0038 0.0082 -0.0031 213 PHE 27 CD1 -0.0029 0.0080 -0.0038 214 PHE 27 CD2 -0.0038 0.0076 -0.0035 215 PHE 27 CE1 -0.0020 0.0073 -0.0049 216 PHE 27 CE2 -0.0029 0.0069 -0.0045 217 PHE 27 CZ -0.0020 0.0068 -0.0052 218 ASN 28 N -0.0074 0.0063 0.0001 219 ASN 28 CA -0.0074 0.0058 0.0000 220 ASN 28 C -0.0062 0.0065 -0.0003 221 ASN 28 O -0.0057 0.0078 -0.0003 222 ASN 28 CB -0.0088 0.0061 0.0006 223 ASN 28 CG -0.0100 0.0052 0.0010 224 ASN 28 OD1 -0.0100 0.0041 0.0008 225 ASN 28 ND2 -0.0113 0.0057 0.0016 226 ILE 29 N -0.0039 0.0067 0.0028 227 ILE 29 CA -0.0017 0.0069 0.0002 228 ILE 29 C 0.0002 0.0061 -0.0006 229 ILE 29 O 0.0005 0.0048 0.0012 230 ILE 29 CB -0.0001 0.0057 0.0003 231 ILE 29 CG1 0.0013 0.0033 0.0027 232 ILE 29 CG2 -0.0021 0.0068 0.0006 233 ILE 29 CD1 0.0033 0.0020 0.0027 234 VAL 30 N 0.0012 0.0045 -0.0010 235 VAL 30 CA 0.0037 0.0045 -0.0023 236 VAL 30 C 0.0062 0.0046 -0.0039 237 VAL 30 O 0.0057 0.0050 -0.0043 238 VAL 30 CB 0.0027 0.0061 -0.0041 239 VAL 30 CG1 0.0005 0.0058 -0.0025 240 VAL 30 CG2 0.0012 0.0081 -0.0063 241 GLY 31 N 0.0117 -0.0005 -0.0052 242 GLY 31 CA 0.0154 -0.0007 -0.0082 243 GLY 31 C 0.0185 -0.0034 -0.0052 244 GLY 31 O 0.0187 -0.0055 -0.0011 245 GLY 32 N 0.0200 -0.0051 -0.0076 246 GLY 32 CA 0.0242 -0.0078 -0.0052 247 GLY 32 C 0.0316 -0.0118 -0.0070 248 GLY 32 O 0.0357 -0.0144 -0.0044 249 GLU 33 N 0.0334 -0.0167 -0.0115 250 GLU 33 CA 0.0431 -0.0171 -0.0158 251 GLU 33 C 0.0438 -0.0161 -0.0236 252 GLU 33 O 0.0368 -0.0148 -0.0283 253 GLU 33 CB 0.0450 -0.0168 -0.0196 254 GLU 33 CG 0.0448 -0.0178 -0.0114 255 GLU 33 CD 0.0461 -0.0175 -0.0147 256 GLU 33 OE1 0.0453 -0.0183 -0.0083 257 GLU 33 OE2 0.0477 -0.0165 -0.0233 258 ASP 34 N 0.0726 -0.0126 -0.0218 259 ASP 34 CA 0.0771 -0.0111 -0.0354 260 ASP 34 C 0.0616 -0.0120 -0.0365 261 ASP 34 O 0.0611 -0.0108 -0.0505 262 ASP 34 CB 0.0834 -0.0088 -0.0556 263 ASP 34 CG 0.1010 -0.0077 -0.0536 264 ASP 34 OD1 0.1138 -0.0081 -0.0404 265 ASP 34 OD2 0.1019 -0.0066 -0.0652 266 GLY 35 N 0.0413 -0.0102 -0.0260 267 GLY 35 CA 0.0344 -0.0090 -0.0271 268 GLY 35 C 0.0289 -0.0089 -0.0310 269 GLY 35 O 0.0233 -0.0082 -0.0330 270 GLU 36 N 0.0331 -0.0044 -0.0265 271 GLU 36 CA 0.0240 -0.0031 -0.0327 272 GLU 36 C 0.0132 -0.0027 -0.0268 273 GLU 36 O 0.0048 -0.0016 -0.0317 274 GLU 36 CB 0.0256 -0.0029 -0.0356 275 GLU 36 CG 0.0352 -0.0030 -0.0430 276 GLU 36 CD 0.0350 -0.0025 -0.0481 277 GLU 36 OE1 0.0391 -0.0020 -0.0572 278 GLU 36 OE2 0.0299 -0.0025 -0.0433 279 GLY 37 N 0.0126 -0.0017 -0.0194 280 GLY 37 CA 0.0074 0.0005 -0.0153 281 GLY 37 C 0.0065 0.0011 -0.0110 282 GLY 37 O 0.0099 -0.0001 -0.0110 283 ILE 38 N 0.0042 0.0030 -0.0092 284 ILE 38 CA 0.0029 0.0035 -0.0060 285 ILE 38 C 0.0002 0.0057 -0.0067 286 ILE 38 O -0.0016 0.0072 -0.0081 287 ILE 38 CB 0.0024 0.0034 -0.0032 288 ILE 38 CG1 0.0052 0.0013 -0.0025 289 ILE 38 CG2 0.0011 0.0039 0.0002 290 ILE 38 CD1 0.0075 -0.0007 -0.0013 291 PHE 39 N -0.0029 0.0080 -0.0049 292 PHE 39 CA -0.0043 0.0095 -0.0050 293 PHE 39 C -0.0054 0.0096 -0.0030 294 PHE 39 O -0.0051 0.0086 -0.0017 295 PHE 39 CB -0.0040 0.0097 -0.0061 296 PHE 39 CG -0.0029 0.0096 -0.0081 297 PHE 39 CD1 -0.0035 0.0109 -0.0096 298 PHE 39 CD2 -0.0014 0.0082 -0.0084 299 PHE 39 CE1 -0.0025 0.0109 -0.0114 300 PHE 39 CE2 -0.0004 0.0081 -0.0103 301 PHE 39 CZ -0.0009 0.0095 -0.0118 302 ILE 40 N -0.0054 0.0103 -0.0027 303 ILE 40 CA -0.0059 0.0100 -0.0028 304 ILE 40 C -0.0062 0.0104 -0.0033 305 ILE 40 O -0.0063 0.0107 -0.0036 306 ILE 40 CB -0.0063 0.0097 -0.0028 307 ILE 40 CG1 -0.0061 0.0093 -0.0023 308 ILE 40 CG2 -0.0069 0.0095 -0.0029 309 ILE 40 CD1 -0.0060 0.0090 -0.0020 310 SER 41 N -0.0058 0.0103 -0.0026 311 SER 41 CA -0.0061 0.0106 -0.0028 312 SER 41 C -0.0073 0.0108 -0.0024 313 SER 41 O -0.0077 0.0114 -0.0028 314 SER 41 CB -0.0055 0.0100 -0.0025 315 SER 41 OG -0.0056 0.0093 -0.0015 316 PHE 42 N -0.0075 0.0108 -0.0010 317 PHE 42 CA -0.0088 0.0113 0.0001 318 PHE 42 C -0.0084 0.0112 -0.0003 319 PHE 42 O -0.0075 0.0100 -0.0010 320 PHE 42 CB -0.0101 0.0098 0.0012 321 PHE 42 CG -0.0115 0.0100 0.0023 322 PHE 42 CD1 -0.0117 0.0087 0.0025 323 PHE 42 CD2 -0.0126 0.0115 0.0032 324 PHE 42 CE1 -0.0130 0.0089 0.0036 325 PHE 42 CE2 -0.0139 0.0117 0.0042 326 PHE 42 CZ -0.0141 0.0104 0.0044 327 ILE 43 N -0.0079 0.0095 0.0007 328 ILE 43 CA -0.0069 0.0098 -0.0001 329 ILE 43 C -0.0073 0.0100 0.0006 330 ILE 43 O -0.0076 0.0106 0.0019 331 ILE 43 CB -0.0056 0.0110 -0.0002 332 ILE 43 CG1 -0.0052 0.0108 -0.0010 333 ILE 43 CG2 -0.0046 0.0113 -0.0010 334 ILE 43 CD1 -0.0039 0.0118 -0.0011 335 LEU 44 N -0.0089 0.0121 0.0016 336 LEU 44 CA -0.0097 0.0119 0.0021 337 LEU 44 C -0.0082 0.0134 0.0024 338 LEU 44 O -0.0065 0.0134 0.0011 339 LEU 44 CB -0.0103 0.0100 0.0006 340 LEU 44 CG -0.0112 0.0096 0.0009 341 LEU 44 CD1 -0.0133 0.0097 0.0026 342 LEU 44 CD2 -0.0115 0.0077 -0.0009 343 ALA 45 N -0.0091 0.0142 0.0042 344 ALA 45 CA -0.0076 0.0162 0.0047 345 ALA 45 C -0.0071 0.0150 0.0033 346 ALA 45 O -0.0089 0.0132 0.0032 347 ALA 45 CB -0.0091 0.0178 0.0075 348 GLY 46 N -0.0029 0.0150 0.0023 349 GLY 46 CA -0.0021 0.0144 0.0007 350 GLY 46 C -0.0022 0.0127 -0.0015 351 GLY 46 O -0.0016 0.0120 -0.0029 352 GLY 47 N -0.0042 0.0125 -0.0011 353 GLY 47 CA -0.0043 0.0110 -0.0032 354 GLY 47 C -0.0018 0.0114 -0.0044 355 GLY 47 O -0.0001 0.0129 -0.0033 356 PRO 48 N -0.0024 0.0129 -0.0049 357 PRO 48 CA -0.0004 0.0130 -0.0058 358 PRO 48 C 0.0004 0.0141 -0.0048 359 PRO 48 O 0.0023 0.0149 -0.0049 360 PRO 48 CB -0.0008 0.0115 -0.0076 361 PRO 48 CG -0.0024 0.0105 -0.0080 362 PRO 48 CD -0.0038 0.0114 -0.0061 363 ALA 49 N 0.0010 0.0113 -0.0057 364 ALA 49 CA 0.0007 0.0111 -0.0045 365 ALA 49 C 0.0017 0.0111 -0.0032 366 ALA 49 O 0.0023 0.0112 -0.0026 367 ALA 49 CB -0.0009 0.0108 -0.0041 368 ASP 50 N 0.0015 0.0118 -0.0013 369 ASP 50 CA 0.0023 0.0132 0.0006 370 ASP 50 C 0.0052 0.0131 -0.0001 371 ASP 50 O 0.0071 0.0142 0.0013 372 ASP 50 CB 0.0001 0.0131 0.0010 373 ASP 50 CG 0.0006 0.0146 0.0031 374 ASP 50 OD1 0.0011 0.0158 0.0050 375 ASP 50 OD2 0.0002 0.0143 0.0028 376 LEU 51 N 0.0058 0.0139 -0.0005 377 LEU 51 CA 0.0088 0.0144 -0.0017 378 LEU 51 C 0.0104 0.0146 -0.0021 379 LEU 51 O 0.0131 0.0152 -0.0020 380 LEU 51 CB 0.0089 0.0138 -0.0046 381 LEU 51 CG 0.0080 0.0136 -0.0043 382 LEU 51 CD1 0.0079 0.0130 -0.0074 383 LEU 51 CD2 0.0102 0.0145 -0.0026 384 SER 52 N 0.0094 0.0120 -0.0036 385 SER 52 CA 0.0090 0.0121 -0.0042 386 SER 52 C 0.0096 0.0115 -0.0022 387 SER 52 O 0.0102 0.0119 -0.0024 388 SER 52 CB 0.0067 0.0115 -0.0053 389 SER 52 OG 0.0052 0.0102 -0.0037 390 GLY 53 N 0.0057 0.0107 0.0001 391 GLY 53 CA 0.0059 0.0079 0.0022 392 GLY 53 C 0.0021 0.0051 0.0013 393 GLY 53 O 0.0020 0.0025 0.0031 394 GLU 54 N 0.0012 0.0011 0.0018 395 GLU 54 CA 0.0014 0.0015 0.0025 396 GLU 54 C -0.0031 0.0008 0.0034 397 GLU 54 O -0.0035 0.0016 0.0056 398 GLU 54 CB 0.0036 0.0005 -0.0011 399 GLU 54 CG 0.0083 0.0012 -0.0019 400 GLU 54 CD 0.0105 0.0004 -0.0054 401 GLU 54 OE1 0.0142 0.0014 -0.0050 402 GLU 54 OE2 0.0086 -0.0013 -0.0084 403 LEU 55 N -0.0024 0.0035 -0.0014 404 LEU 55 CA -0.0032 0.0038 -0.0013 405 LEU 55 C -0.0027 0.0032 -0.0009 406 LEU 55 O -0.0017 0.0030 -0.0012 407 LEU 55 CB -0.0034 0.0048 -0.0021 408 LEU 55 CG -0.0045 0.0052 -0.0021 409 LEU 55 CD1 -0.0056 0.0053 -0.0016 410 LEU 55 CD2 -0.0045 0.0062 -0.0030 411 ARG 56 N -0.0091 -0.0037 0.0049 412 ARG 56 CA -0.0077 -0.0029 -0.0025 413 ARG 56 C -0.0051 0.0069 -0.0044 414 ARG 56 O -0.0047 0.0127 0.0017 415 ARG 56 CB -0.0092 -0.0077 -0.0003 416 ARG 56 CG -0.0118 -0.0177 0.0013 417 ARG 56 CD -0.0133 -0.0224 0.0035 418 ARG 56 NE -0.0158 -0.0319 0.0053 419 ARG 56 CZ -0.0168 -0.0388 0.0016 420 ARG 56 NH1 -0.0156 -0.0380 -0.0044 421 ARG 56 NH2 -0.0191 -0.0469 0.0040 422 LYS 57 N -0.0084 0.0057 -0.0048 423 LYS 57 CA -0.0083 0.0079 -0.0052 424 LYS 57 C -0.0078 0.0089 -0.0039 425 LYS 57 O -0.0078 0.0082 -0.0037 426 LYS 57 CB -0.0088 0.0082 -0.0074 427 LYS 57 CG -0.0087 0.0105 -0.0079 428 LYS 57 CD -0.0093 0.0109 -0.0101 429 LYS 57 CE -0.0091 0.0131 -0.0105 430 LYS 57 NZ -0.0096 0.0136 -0.0125 431 GLY 58 N -0.0080 0.0105 -0.0044 432 GLY 58 CA -0.0077 0.0113 -0.0032 433 GLY 58 C -0.0078 0.0108 -0.0008 434 GLY 58 O -0.0074 0.0117 0.0003 435 ASP 59 N -0.0081 0.0064 -0.0015 436 ASP 59 CA -0.0083 0.0061 0.0012 437 ASP 59 C -0.0088 0.0091 0.0022 438 ASP 59 O -0.0088 0.0108 0.0005 439 ASP 59 CB -0.0081 0.0042 0.0008 440 ASP 59 CG -0.0077 0.0010 0.0007 441 ASP 59 OD1 -0.0077 0.0000 0.0022 442 ASP 59 OD2 -0.0074 -0.0006 -0.0004 443 ARG 60 N -0.0111 0.0116 0.0019 444 ARG 60 CA -0.0095 0.0086 0.0007 445 ARG 60 C -0.0090 0.0078 0.0002 446 ARG 60 O -0.0084 0.0098 -0.0010 447 ARG 60 CB -0.0076 0.0090 -0.0019 448 ARG 60 CG -0.0060 0.0058 -0.0030 449 ARG 60 CD -0.0041 0.0063 -0.0056 450 ARG 60 NE -0.0026 0.0032 -0.0067 451 ARG 60 CZ -0.0008 0.0027 -0.0089 452 ARG 60 NH1 -0.0001 0.0051 -0.0104 453 ARG 60 NH2 0.0004 -0.0002 -0.0096 454 ILE 61 N -0.0065 0.0069 -0.0022 455 ILE 61 CA -0.0063 0.0072 -0.0031 456 ILE 61 C -0.0069 0.0071 -0.0033 457 ILE 61 O -0.0077 0.0069 -0.0033 458 ILE 61 CB -0.0065 0.0073 -0.0036 459 ILE 61 CG1 -0.0059 0.0074 -0.0033 460 ILE 61 CG2 -0.0063 0.0076 -0.0046 461 ILE 61 CD1 -0.0060 0.0075 -0.0039 462 ILE 62 N -0.0092 0.0070 -0.0012 463 ILE 62 CA -0.0099 0.0071 -0.0011 464 ILE 62 C -0.0103 0.0072 -0.0033 465 ILE 62 O -0.0119 0.0074 -0.0037 466 ILE 62 CB -0.0082 0.0068 -0.0000 467 ILE 62 CG1 -0.0077 0.0066 0.0022 468 ILE 62 CG2 -0.0089 0.0069 0.0000 469 ILE 62 CD1 -0.0096 0.0068 0.0037 470 SER 63 N -0.0059 0.0060 -0.0063 471 SER 63 CA -0.0062 0.0064 -0.0078 472 SER 63 C -0.0051 0.0067 -0.0086 473 SER 63 O -0.0039 0.0066 -0.0081 474 SER 63 CB -0.0060 0.0065 -0.0084 475 SER 63 OG -0.0046 0.0066 -0.0083 476 VAL 64 N -0.0029 0.0049 -0.0102 477 VAL 64 CA -0.0014 0.0058 -0.0115 478 VAL 64 C -0.0017 0.0068 -0.0134 479 VAL 64 O -0.0034 0.0071 -0.0143 480 VAL 64 CB -0.0016 0.0059 -0.0116 481 VAL 64 CG1 -0.0002 0.0069 -0.0130 482 VAL 64 CG2 -0.0010 0.0049 -0.0097 483 ASN 65 N 0.0004 0.0060 -0.0156 484 ASN 65 CA 0.0004 0.0066 -0.0168 485 ASN 65 C -0.0013 0.0065 -0.0161 486 ASN 65 O -0.0011 0.0057 -0.0147 487 ASN 65 CB 0.0003 0.0077 -0.0188 488 ASN 65 CG 0.0022 0.0078 -0.0195 489 ASN 65 OD1 0.0038 0.0072 -0.0189 490 ASN 65 ND2 0.0020 0.0085 -0.0209 491 SER 66 N -0.0041 0.0100 -0.0162 492 SER 66 CA -0.0048 0.0096 -0.0168 493 SER 66 C -0.0067 0.0086 -0.0161 494 SER 66 O -0.0075 0.0082 -0.0167 495 SER 66 CB -0.0048 0.0096 -0.0190 496 SER 66 OG -0.0031 0.0105 -0.0197 497 VAL 67 N -0.0046 0.0074 -0.0137 498 VAL 67 CA -0.0051 0.0057 -0.0132 499 VAL 67 C -0.0050 0.0045 -0.0125 500 VAL 67 O -0.0041 0.0047 -0.0114 501 VAL 67 CB -0.0044 0.0055 -0.0123 502 VAL 67 CG1 -0.0050 0.0038 -0.0119 503 VAL 67 CG2 -0.0043 0.0067 -0.0130 504 ASP 68 N -0.0065 0.0068 -0.0075 505 ASP 68 CA -0.0065 0.0048 -0.0081 506 ASP 68 C -0.0047 0.0035 -0.0075 507 ASP 68 O -0.0041 0.0034 -0.0073 508 ASP 68 CB -0.0082 0.0039 -0.0093 509 ASP 68 CG -0.0085 0.0019 -0.0101 510 ASP 68 OD1 -0.0072 0.0008 -0.0098 511 ASP 68 OD2 -0.0100 0.0014 -0.0111 512 LEU 69 N -0.0022 0.0010 -0.0060 513 LEU 69 CA -0.0008 0.0006 -0.0062 514 LEU 69 C -0.0006 -0.0005 -0.0074 515 LEU 69 O 0.0005 -0.0010 -0.0077 516 LEU 69 CB -0.0005 0.0008 -0.0058 517 LEU 69 CG -0.0006 0.0019 -0.0045 518 LEU 69 CD1 -0.0001 0.0020 -0.0042 519 LEU 69 CD2 0.0004 0.0023 -0.0038 520 ARG 70 N -0.0003 0.0003 -0.0084 521 ARG 70 CA 0.0003 -0.0015 -0.0121 522 ARG 70 C 0.0041 -0.0033 -0.0127 523 ARG 70 O 0.0053 -0.0048 -0.0150 524 ARG 70 CB -0.0024 -0.0015 -0.0144 525 ARG 70 CG -0.0062 -0.0002 -0.0146 526 ARG 70 CD -0.0090 -0.0002 -0.0169 527 ARG 70 NE -0.0096 0.0008 -0.0152 528 ARG 70 CZ -0.0117 0.0010 -0.0165 529 ARG 70 NH1 -0.0134 0.0002 -0.0197 530 ARG 70 NH2 -0.0120 0.0019 -0.0147 531 ALA 71 N 0.0093 -0.0044 -0.0145 532 ALA 71 CA 0.0162 -0.0047 -0.0149 533 ALA 71 C 0.0192 -0.0047 -0.0093 534 ALA 71 O 0.0248 -0.0050 -0.0079 535 ALA 71 CB 0.0187 -0.0049 -0.0156 536 ALA 72 N 0.0158 -0.0051 -0.0093 537 ALA 72 CA 0.0176 -0.0047 -0.0057 538 ALA 72 C 0.0205 -0.0062 -0.0053 539 ALA 72 O 0.0203 -0.0067 -0.0071 540 ALA 72 CB 0.0151 -0.0025 -0.0032 541 SER 73 N 0.0248 -0.0073 -0.0046 542 SER 73 CA 0.0249 -0.0076 -0.0040 543 SER 73 C 0.0212 -0.0072 -0.0021 544 SER 73 O 0.0188 -0.0071 -0.0006 545 SER 73 CB 0.0282 -0.0097 -0.0019 546 SER 73 OG 0.0272 -0.0111 0.0019 547 HIS 74 N 0.0216 -0.0090 -0.0012 548 HIS 74 CA 0.0195 -0.0081 0.0012 549 HIS 74 C 0.0192 -0.0091 0.0036 550 HIS 74 O 0.0175 -0.0077 0.0047 551 HIS 74 CB 0.0194 -0.0087 0.0024 552 HIS 74 CG 0.0172 -0.0073 0.0047 553 HIS 74 ND1 0.0156 -0.0050 0.0041 554 HIS 74 CD2 0.0164 -0.0082 0.0076 555 HIS 74 CE1 0.0138 -0.0044 0.0066 556 HIS 74 NE2 0.0142 -0.0063 0.0088 557 GLU 75 N 0.0212 -0.0105 0.0007 558 GLU 75 CA 0.0214 -0.0096 0.0037 559 GLU 75 C 0.0190 -0.0071 0.0026 560 GLU 75 O 0.0179 -0.0048 0.0051 561 GLU 75 CB 0.0239 -0.0125 0.0045 562 GLU 75 CG 0.0265 -0.0152 0.0058 563 GLU 75 CD 0.0271 -0.0171 0.0024 564 GLU 75 OE1 0.0286 -0.0185 0.0035 565 GLU 75 OE2 0.0260 -0.0169 -0.0011 566 GLN 76 N 0.0172 -0.0065 0.0002 567 GLN 76 CA 0.0160 -0.0057 -0.0001 568 GLN 76 C 0.0132 -0.0038 -0.0001 569 GLN 76 O 0.0117 -0.0032 0.0014 570 GLN 76 CB 0.0171 -0.0059 -0.0030 571 GLN 76 CG 0.0198 -0.0076 -0.0028 572 GLN 76 CD 0.0209 -0.0078 -0.0057 573 GLN 76 OE1 0.0204 -0.0070 -0.0081 574 GLN 76 NE2 0.0225 -0.0089 -0.0057 575 ALA 77 N 0.0100 -0.0020 -0.0010 576 ALA 77 CA 0.0093 -0.0006 -0.0007 577 ALA 77 C 0.0086 -0.0005 0.0008 578 ALA 77 O 0.0082 0.0003 0.0010 579 ALA 77 CB 0.0091 0.0001 -0.0010 580 ALA 78 N 0.0083 -0.0038 0.0024 581 ALA 78 CA 0.0080 -0.0037 0.0035 582 ALA 78 C 0.0085 -0.0041 0.0011 583 ALA 78 O 0.0093 -0.0028 0.0012 584 ALA 78 CB 0.0062 -0.0057 0.0055 585 ALA 79 N 0.0106 -0.0047 -0.0015 586 ALA 79 CA 0.0112 -0.0059 -0.0025 587 ALA 79 C 0.0115 -0.0020 -0.0050 588 ALA 79 O 0.0109 -0.0009 -0.0039 589 ALA 79 CB 0.0128 -0.0102 -0.0051 590 ALA 80 N 0.0102 0.0031 -0.0071 591 ALA 80 CA 0.0097 0.0033 -0.0072 592 ALA 80 C 0.0098 0.0035 -0.0071 593 ALA 80 O 0.0095 0.0038 -0.0069 594 ALA 80 CB 0.0095 0.0029 -0.0076 595 LEU 81 N 0.0049 0.0021 -0.0059 596 LEU 81 CA 0.0047 0.0023 -0.0057 597 LEU 81 C 0.0042 0.0015 -0.0060 598 LEU 81 O 0.0044 0.0014 -0.0062 599 LEU 81 CB 0.0040 0.0031 -0.0050 600 LEU 81 CG 0.0046 0.0040 -0.0045 601 LEU 81 CD1 0.0038 0.0046 -0.0039 602 LEU 81 CD2 0.0053 0.0045 -0.0045 603 LYS 82 N 0.0072 0.0005 -0.0066 604 LYS 82 CA 0.0049 -0.0032 -0.0057 605 LYS 82 C 0.0078 -0.0049 -0.0096 606 LYS 82 O 0.0071 -0.0049 -0.0088 607 LYS 82 CB 0.0020 -0.0083 -0.0045 608 LYS 82 CG -0.0006 -0.0122 -0.0033 609 LYS 82 CD -0.0035 -0.0171 -0.0021 610 LYS 82 CE -0.0060 -0.0211 -0.0010 611 LYS 82 NZ -0.0088 -0.0259 0.0002 612 ASN 83 N 0.0080 -0.0062 -0.0097 613 ASN 83 CA 0.0095 -0.0071 -0.0120 614 ASN 83 C 0.0097 -0.0020 -0.0143 615 ASN 83 O 0.0105 -0.0020 -0.0157 616 ASN 83 CB 0.0123 -0.0110 -0.0157 617 ASN 83 CG 0.0121 -0.0165 -0.0135 618 ASN 83 OD1 0.0102 -0.0181 -0.0095 619 ASN 83 ND2 0.0142 -0.0195 -0.0161 620 ALA 84 N 0.0065 0.0033 -0.0144 621 ALA 84 CA 0.0072 0.0035 -0.0144 622 ALA 84 C 0.0062 0.0023 -0.0145 623 ALA 84 O 0.0047 0.0022 -0.0145 624 ALA 84 CB 0.0070 0.0053 -0.0142 625 GLY 85 N 0.0067 0.0025 -0.0172 626 GLY 85 CA 0.0068 0.0010 -0.0184 627 GLY 85 C 0.0065 0.0015 -0.0181 628 GLY 85 O 0.0056 0.0029 -0.0171 629 GLN 86 N 0.0071 -0.0004 -0.0229 630 GLN 86 CA 0.0067 0.0015 -0.0213 631 GLN 86 C 0.0085 0.0043 -0.0203 632 GLN 86 O 0.0076 0.0061 -0.0185 633 GLN 86 CB 0.0074 0.0005 -0.0224 634 GLN 86 CG 0.0052 -0.0019 -0.0229 635 GLN 86 CD 0.0024 -0.0015 -0.0208 636 GLN 86 OE1 0.0021 0.0007 -0.0190 637 GLN 86 NE2 0.0002 -0.0035 -0.0209 638 THR 87 N 0.0077 0.0070 -0.0234 639 THR 87 CA 0.0089 0.0083 -0.0223 640 THR 87 C 0.0073 0.0069 -0.0222 641 THR 87 O 0.0066 0.0058 -0.0244 642 THR 87 CB 0.0111 0.0099 -0.0244 643 THR 87 OG1 0.0125 0.0111 -0.0246 644 THR 87 CG2 0.0125 0.0113 -0.0232 645 VAL 88 N 0.0069 0.0080 -0.0179 646 VAL 88 CA 0.0060 0.0071 -0.0176 647 VAL 88 C 0.0067 0.0079 -0.0172 648 VAL 88 O 0.0073 0.0087 -0.0159 649 VAL 88 CB 0.0050 0.0062 -0.0160 650 VAL 88 CG1 0.0039 0.0051 -0.0160 651 VAL 88 CG2 0.0044 0.0055 -0.0164 652 THR 89 N 0.0043 0.0073 -0.0185 653 THR 89 CA 0.0044 0.0066 -0.0167 654 THR 89 C 0.0025 0.0057 -0.0151 655 THR 89 O 0.0004 0.0057 -0.0157 656 THR 89 CB 0.0042 0.0069 -0.0177 657 THR 89 OG1 0.0061 0.0077 -0.0191 658 THR 89 CG2 0.0043 0.0062 -0.0158 659 ILE 90 N 0.0025 0.0063 -0.0129 660 ILE 90 CA 0.0009 0.0055 -0.0111 661 ILE 90 C 0.0013 0.0051 -0.0094 662 ILE 90 O 0.0033 0.0051 -0.0088 663 ILE 90 CB 0.0013 0.0053 -0.0100 664 ILE 90 CG1 0.0009 0.0057 -0.0117 665 ILE 90 CG2 -0.0003 0.0045 -0.0080 666 ILE 90 CD1 0.0013 0.0055 -0.0108 667 ILE 91 N -0.0027 0.0050 -0.0085 668 ILE 91 CA -0.0029 0.0030 -0.0043 669 ILE 91 C -0.0039 0.0024 -0.0024 670 ILE 91 O -0.0070 0.0039 -0.0027 671 ILE 91 CB -0.0060 0.0035 -0.0027 672 ILE 91 CG1 -0.0054 0.0044 -0.0050 673 ILE 91 CG2 -0.0059 0.0012 0.0016 674 ILE 91 CD1 -0.0012 0.0028 -0.0053 675 ALA 92 N -0.0031 0.0011 -0.0008 676 ALA 92 CA -0.0039 0.0012 0.0005 677 ALA 92 C -0.0033 -0.0007 0.0050 678 ALA 92 O -0.0010 -0.0028 0.0064 679 ALA 92 CB -0.0018 0.0007 -0.0026 680 GLN 93 N -0.0041 -0.0010 0.0075 681 GLN 93 CA -0.0031 -0.0020 0.0151 682 GLN 93 C -0.0050 0.0005 0.0123 683 GLN 93 O -0.0094 0.0068 0.0091 684 GLN 93 CB -0.0058 0.0024 0.0233 685 GLN 93 CG -0.0050 0.0017 0.0317 686 GLN 93 CD -0.0076 0.0060 0.0399 687 GLN 93 OE1 -0.0116 0.0119 0.0392 688 GLN 93 NE2 -0.0055 0.0033 0.0480 689 TYR 94 N -0.0058 -0.0063 0.0204 690 TYR 94 CA -0.0079 -0.0033 0.0178 691 TYR 94 C -0.0081 0.0021 0.0219 692 TYR 94 O -0.0060 0.0018 0.0271 693 TYR 94 CB -0.0071 -0.0075 0.0161 694 TYR 94 CG -0.0095 -0.0052 0.0119 695 TYR 94 CD1 -0.0096 -0.0028 0.0138 696 TYR 94 CD2 -0.0117 -0.0053 0.0061 697 TYR 94 CE1 -0.0118 -0.0006 0.0099 698 TYR 94 CE2 -0.0139 -0.0031 0.0022 699 TYR 94 CZ -0.0140 -0.0008 0.0040 700 TYR 94 OH -0.0162 0.0013 0.0002 701 LYS 95 N -0.0053 0.0095 0.0171 702 LYS 95 CA -0.0033 0.0144 0.0175 703 LYS 95 C -0.0043 0.0154 0.0151 704 LYS 95 O -0.0069 0.0141 0.0112 705 LYS 95 CB -0.0028 0.0184 0.0158 706 LYS 95 CG -0.0004 0.0235 0.0169 707 LYS 95 CD 0.0002 0.0274 0.0154 708 LYS 95 CE 0.0026 0.0324 0.0166 709 LYS 95 NZ 0.0032 0.0363 0.0150 710 LYS 95 OXT -0.0024 0.0176 0.0171