REMARK SPARTA+ Protein Chemical Shift Prediction Table REMARK REMARK All chemical shifts are reported in ppm: REMARK REMARK SS_SHIFT is the predicted secondary chemical shift. REMARK SHIFT is the predicted chemical shift. REMARK RC_SHIFT is the random coil chemical shift. REMARK HM_SHIFT is the ring current shift; a correction REMARK of 0.6 times this value is applied. REMARK EF_SHIFT is the adjustment for electric field effect, REMARK applied to proton shifts only. REMARK SIGMA is the estimated prediction error. REMARK REMARK Reference: REMARK Y. Shen and A. Bax: SPARTA+: a modest improvement in empirical NMR REMARK chemical shift prediction by means of an artificial neural network. REMARK J. Biomol. NMR 48, 13-22 (2010). DATA SOURCE 2nv5_1_A DATA FIRST_RESID 1204 DATA SEQUENCE SHPPIPILEL ADHIERLKAN DNLKFSQEYE SIDPGQQFTW EHSNLEVNKP DATA SEQUENCE KNRYANVIAY DHSRVLLSAI EGIPGSDYVN ANYIDGYRKQ NAYIATQGSL DATA SEQUENCE PETFGDFWRM IWEQRSATVV MMTKLEERSR VKCDQYWPSR GTETHGLVQV DATA SEQUENCE TLLDTVELAT YCVRTFALYK NGSSEKREVR QFQFTAWPDH GVPEHPTPFL DATA SEQUENCE AFLRRVKTCN PPDAGPMVVH CSAGVGRTGC FIVIDAMLER IKHEKTVDIY DATA SEQUENCE GHVTLMRAQR NYMVQTEDQY IFIHDALLEA VTC VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1204 S HA 0.000 nan 4.470 nan 0.000 0.327 1204 S C 0.000 174.400 174.600 -0.333 0.000 1.055 1204 S CA 0.000 58.133 58.200 -0.112 0.000 1.107 1204 S CB 0.000 63.147 63.200 -0.088 0.000 0.593 1205 H N 2.353 121.385 119.070 -0.062 0.000 2.716 1205 H HA 0.457 5.013 4.556 -0.000 0.000 0.260 1205 H C -2.564 172.767 175.328 0.005 0.000 1.280 1205 H CA -0.940 55.046 56.048 -0.104 0.000 1.506 1205 H CB 1.060 30.610 29.762 -0.352 0.000 1.514 1205 H HN 0.255 nan 8.280 nan 0.000 0.502 1206 P HA 0.300 nan 4.420 nan 0.000 0.278 1206 P C -2.642 174.680 177.300 0.036 0.000 1.258 1206 P CA -1.795 61.334 63.100 0.048 0.000 0.811 1206 P CB 1.024 32.727 31.700 0.004 0.000 1.063 1207 P HA 0.219 nan 4.420 nan 0.000 0.270 1207 P C -0.552 176.713 177.300 -0.058 0.000 1.223 1207 P CA 0.199 63.303 63.100 0.008 0.000 0.785 1207 P CB 0.206 31.920 31.700 0.024 0.000 0.923 1208 I N 3.382 123.892 120.570 -0.100 0.000 2.354 1208 I HA 0.300 4.469 4.170 -0.000 0.000 0.286 1208 I C -2.233 173.826 176.117 -0.096 0.000 1.007 1208 I CA -2.485 58.725 61.300 -0.151 0.000 1.167 1208 I CB 1.367 39.184 38.000 -0.306 0.000 1.320 1208 I HN 0.165 nan 8.210 nan 0.000 0.458 1209 P HA 0.045 nan 4.420 nan 0.000 0.265 1209 P C 1.214 178.483 177.300 -0.052 0.000 1.187 1209 P CA 0.057 63.125 63.100 -0.054 0.000 0.766 1209 P CB 0.466 32.141 31.700 -0.041 0.000 0.820 1210 I N 0.474 121.014 120.570 -0.051 0.000 2.361 1210 I HA -0.190 3.980 4.170 -0.000 0.000 0.251 1210 I C 1.489 177.588 176.117 -0.030 0.000 1.133 1210 I CA 1.579 62.851 61.300 -0.047 0.000 1.413 1210 I CB -0.757 37.210 38.000 -0.054 0.000 1.073 1210 I HN 0.228 nan 8.210 nan 0.000 0.424 1211 L N 0.784 121.991 121.223 -0.027 0.000 2.465 1211 L HA -0.019 4.321 4.340 -0.000 0.000 0.224 1211 L C 1.952 178.817 176.870 -0.009 0.000 1.145 1211 L CA 0.992 55.822 54.840 -0.017 0.000 0.834 1211 L CB -0.398 41.650 42.059 -0.018 0.000 0.944 1211 L HN 0.354 nan 8.230 nan 0.000 0.451 1212 E N -0.744 119.450 120.200 -0.009 0.000 2.498 1212 E HA -0.046 4.304 4.350 -0.000 0.000 0.203 1212 E C 1.725 178.346 176.600 0.033 0.000 1.013 1212 E CA -0.175 56.229 56.400 0.006 0.000 0.927 1212 E CB 0.385 30.082 29.700 -0.006 0.000 1.012 1212 E HN 0.187 nan 8.360 nan 0.000 0.482 1213 L N 1.705 122.942 121.223 0.024 0.000 2.012 1213 L HA -0.165 4.175 4.340 -0.000 0.000 0.210 1213 L C 2.260 179.188 176.870 0.097 0.000 1.073 1213 L CA 2.160 57.036 54.840 0.061 0.000 0.748 1213 L CB -0.683 41.390 42.059 0.024 0.000 0.891 1213 L HN 0.077 nan 8.230 nan 0.000 0.431 1214 A N -0.848 122.004 122.820 0.053 0.000 1.883 1214 A HA -0.251 4.069 4.320 -0.000 0.000 0.217 1214 A C 2.038 179.644 177.584 0.036 0.000 1.186 1214 A CA 2.050 54.112 52.037 0.042 0.000 0.624 1214 A CB -0.926 18.088 19.000 0.023 0.000 0.822 1214 A HN 0.542 nan 8.150 nan 0.000 0.444 1215 D N -1.648 118.775 120.400 0.038 0.000 2.117 1215 D HA -0.127 4.513 4.640 -0.000 0.000 0.198 1215 D C 1.752 178.066 176.300 0.024 0.000 0.982 1215 D CA 1.677 55.691 54.000 0.024 0.000 0.828 1215 D CB -0.562 40.253 40.800 0.025 0.000 0.967 1215 D HN 0.711 nan 8.370 nan 0.000 0.464 1216 H N 0.557 119.604 119.070 -0.037 0.000 2.289 1216 H HA -0.087 4.468 4.556 -0.000 0.000 0.296 1216 H C 2.123 177.379 175.328 -0.119 0.000 1.091 1216 H CA 1.649 57.661 56.048 -0.059 0.000 1.274 1216 H CB -0.414 29.333 29.762 -0.024 0.000 1.364 1216 H HN 0.101 nan 8.280 nan 0.000 0.490 1217 I N 0.138 120.631 120.570 -0.128 0.000 2.142 1217 I HA -0.234 3.935 4.170 -0.000 0.000 0.240 1217 I C 2.605 178.597 176.117 -0.208 0.000 1.078 1217 I CA 1.542 62.711 61.300 -0.219 0.000 1.343 1217 I CB -0.462 37.559 38.000 0.035 0.000 1.046 1217 I HN 0.447 nan 8.210 nan 0.000 0.405 1218 E N 1.100 121.246 120.200 -0.091 0.000 2.095 1218 E HA -0.326 4.024 4.350 -0.000 0.000 0.212 1218 E C 2.372 178.903 176.600 -0.115 0.000 1.044 1218 E CA 1.926 58.286 56.400 -0.067 0.000 0.857 1218 E CB -0.051 29.629 29.700 -0.033 0.000 0.764 1218 E HN 0.390 nan 8.360 nan 0.000 0.462 1219 R N -0.159 120.244 120.500 -0.160 0.000 2.091 1219 R HA -0.126 4.214 4.340 -0.000 0.000 0.238 1219 R C 2.577 178.730 176.300 -0.245 0.000 1.136 1219 R CA 1.233 57.230 56.100 -0.173 0.000 0.959 1219 R CB -0.279 29.924 30.300 -0.163 0.000 0.856 1219 R HN 0.272 nan 8.270 nan 0.000 0.437 1220 L N 0.483 121.431 121.223 -0.457 0.000 2.217 1220 L HA -0.111 4.229 4.340 -0.000 0.000 0.211 1220 L C 2.090 178.792 176.870 -0.280 0.000 1.107 1220 L CA 1.135 55.610 54.840 -0.608 0.000 0.783 1220 L CB -0.215 40.949 42.059 -1.491 0.000 0.919 1220 L HN 0.118 nan 8.230 nan 0.000 0.442 1221 K N 0.540 120.859 120.400 -0.135 0.000 2.305 1221 K HA 0.115 4.435 4.320 -0.000 0.000 0.199 1221 K C 0.977 177.606 176.600 0.047 0.000 1.047 1221 K CA 0.209 56.553 56.287 0.095 0.000 0.976 1221 K CB 0.055 32.620 32.500 0.109 0.000 0.765 1221 K HN 0.194 nan 8.250 nan 0.000 0.474 1222 A N 2.175 124.990 122.820 -0.009 0.000 2.540 1222 A HA -0.008 4.312 4.320 -0.000 0.000 0.239 1222 A C -0.303 177.289 177.584 0.013 0.000 1.061 1222 A CA 0.267 52.301 52.037 -0.004 0.000 0.758 1222 A CB -0.527 18.458 19.000 -0.026 0.000 0.991 1222 A HN 0.655 nan 8.150 nan 0.000 0.502 1223 N N 0.687 119.396 118.700 0.016 0.000 2.753 1223 N HA -0.171 4.569 4.740 -0.000 0.000 0.252 1223 N C -0.480 175.048 175.510 0.030 0.000 1.071 1223 N CA 0.915 53.976 53.050 0.019 0.000 0.690 1223 N CB -1.122 37.374 38.487 0.014 0.000 0.906 1223 N HN 1.020 nan 8.380 nan 0.000 0.552 1224 D N 0.569 120.989 120.400 0.033 0.000 2.803 1224 D HA -0.207 4.433 4.640 -0.000 0.000 0.233 1224 D C -0.373 175.964 176.300 0.061 0.000 1.182 1224 D CA 1.461 55.485 54.000 0.039 0.000 0.726 1224 D CB -0.759 40.057 40.800 0.027 0.000 0.987 1224 D HN 0.579 nan 8.370 nan 0.000 0.412 1225 N N -0.855 117.902 118.700 0.095 0.000 2.708 1225 N HA -0.261 4.479 4.740 -0.000 0.000 0.249 1225 N C 1.136 176.739 175.510 0.156 0.000 1.097 1225 N CA 0.939 54.092 53.050 0.172 0.000 0.710 1225 N CB -1.226 37.348 38.487 0.146 0.000 1.032 1225 N HN 0.486 nan 8.380 nan 0.000 0.551 1226 L N 0.530 121.809 121.223 0.094 0.000 1.989 1226 L HA -0.114 4.226 4.340 -0.000 0.000 0.211 1226 L C 2.023 178.948 176.870 0.093 0.000 1.071 1226 L CA 1.997 56.883 54.840 0.077 0.000 0.749 1226 L CB -0.212 41.873 42.059 0.044 0.000 0.890 1226 L HN 0.196 nan 8.230 nan 0.000 0.431 1227 K N -1.600 118.836 120.400 0.060 0.000 2.167 1227 K HA -0.100 4.220 4.320 -0.000 0.000 0.203 1227 K C 2.198 178.861 176.600 0.106 0.000 1.052 1227 K CA 1.161 57.468 56.287 0.035 0.000 0.956 1227 K CB -0.280 32.184 32.500 -0.061 0.000 0.735 1227 K HN 0.279 nan 8.250 nan 0.000 0.451 1228 F N 1.712 121.684 119.950 0.035 0.000 2.065 1228 F HA -0.328 4.199 4.527 -0.000 0.000 0.298 1228 F C 2.914 178.801 175.800 0.146 0.000 1.112 1228 F CA 1.579 59.629 58.000 0.083 0.000 1.212 1228 F CB -0.133 38.882 39.000 0.025 0.000 0.975 1228 F HN 0.114 nan 8.300 nan 0.000 0.476 1229 S N -0.523 115.375 115.700 0.331 0.000 2.402 1229 S HA -0.224 4.246 4.470 -0.000 0.000 0.229 1229 S C 1.707 176.439 174.600 0.220 0.000 1.021 1229 S CA 1.223 59.565 58.200 0.236 0.000 0.974 1229 S CB -0.461 62.829 63.200 0.149 0.000 0.800 1229 S HN 0.508 nan 8.310 nan 0.000 0.484 1230 Q N 0.716 120.628 119.800 0.187 0.000 2.079 1230 Q HA -0.060 4.280 4.340 -0.000 0.000 0.200 1230 Q C 2.322 178.433 176.000 0.185 0.000 0.974 1230 Q CA 1.665 57.559 55.803 0.152 0.000 0.840 1230 Q CB -0.191 28.614 28.738 0.112 0.000 0.898 1230 Q HN 0.801 nan 8.270 nan 0.000 0.430 1231 E N -0.226 120.122 120.200 0.246 0.000 2.028 1231 E HA -0.241 4.109 4.350 -0.000 0.000 0.191 1231 E C 1.824 178.574 176.600 0.251 0.000 0.988 1231 E CA 1.009 57.588 56.400 0.300 0.000 0.799 1231 E CB -0.182 29.759 29.700 0.402 0.000 0.755 1231 E HN 0.365 nan 8.360 nan 0.000 0.447 1232 Y N 1.719 122.035 120.300 0.027 0.000 2.151 1232 Y HA -0.219 4.330 4.550 -0.000 0.000 0.284 1232 Y C 1.964 177.786 175.900 -0.130 0.000 1.166 1232 Y CA 2.012 59.936 58.100 -0.294 0.000 1.163 1232 Y CB 0.047 38.328 38.460 -0.299 0.000 0.974 1232 Y HN 0.085 nan 8.280 nan 0.000 0.511 1233 E N -0.444 119.724 120.200 -0.053 0.000 2.285 1233 E HA -0.108 4.242 4.350 -0.000 0.000 0.194 1233 E C 2.306 178.857 176.600 -0.081 0.000 0.997 1233 E CA 1.001 57.333 56.400 -0.115 0.000 0.845 1233 E CB -0.378 29.344 29.700 0.036 0.000 0.782 1233 E HN 0.620 nan 8.360 nan 0.000 0.491 1234 S N 0.594 116.300 115.700 0.011 0.000 2.481 1234 S HA -0.039 4.431 4.470 -0.000 0.000 0.231 1234 S C 1.185 175.803 174.600 0.030 0.000 0.996 1234 S CA -0.065 58.178 58.200 0.072 0.000 0.942 1234 S CB -0.524 62.782 63.200 0.178 0.000 0.768 1234 S HN 0.086 nan 8.310 nan 0.000 0.520 1235 I N 2.903 123.400 120.570 -0.121 0.000 2.668 1235 I HA 0.171 4.341 4.170 -0.000 0.000 0.285 1235 I C -0.097 175.923 176.117 -0.163 0.000 1.168 1235 I CA 0.410 61.548 61.300 -0.270 0.000 1.424 1235 I CB 0.192 37.928 38.000 -0.440 0.000 1.377 1235 I HN 0.196 nan 8.210 nan 0.000 0.560 1236 D N 8.978 129.310 120.400 -0.112 0.000 2.452 1236 D HA 0.176 4.816 4.640 -0.000 0.000 0.226 1236 D C -1.807 174.486 176.300 -0.012 0.000 1.366 1236 D CA -1.220 52.760 54.000 -0.034 0.000 0.986 1236 D CB 1.959 42.758 40.800 -0.002 0.000 1.420 1236 D HN 0.162 nan 8.370 nan 0.000 0.583 1237 P HA 0.055 nan 4.420 nan 0.000 0.221 1237 P C 0.964 178.271 177.300 0.011 0.000 1.145 1237 P CA 1.251 64.385 63.100 0.057 0.000 0.795 1237 P CB 0.200 32.022 31.700 0.204 0.000 0.775 1238 G N 0.059 108.850 108.800 -0.015 0.000 2.179 1238 G HA2 -0.224 3.736 3.960 -0.000 0.000 0.257 1238 G HA3 -0.224 3.736 3.960 -0.000 0.000 0.257 1238 G C -0.085 174.727 174.900 -0.146 0.000 1.010 1238 G CA 0.302 45.367 45.100 -0.058 0.000 0.736 1238 G HN 0.565 nan 8.290 nan 0.000 0.513 1239 Q N -1.579 118.054 119.800 -0.279 0.000 2.496 1239 Q HA 0.770 5.110 4.340 -0.000 0.000 0.286 1239 Q C -0.683 174.787 176.000 -0.883 0.000 1.103 1239 Q CA -1.192 54.287 55.803 -0.540 0.000 0.813 1239 Q CB 1.370 29.757 28.738 -0.585 0.000 1.444 1239 Q HN 0.139 nan 8.270 nan 0.000 0.443 1240 Q N 0.415 119.730 119.800 -0.809 0.000 2.274 1240 Q HA 0.575 4.915 4.340 -0.000 0.000 0.260 1240 Q C -1.809 173.676 176.000 -0.859 0.000 0.974 1240 Q CA -0.172 55.228 55.803 -0.672 0.000 0.876 1240 Q CB 1.092 29.644 28.738 -0.311 0.000 1.297 1240 Q HN 0.485 nan 8.270 nan 0.000 0.446 1241 F N -0.326 119.552 119.950 -0.120 0.000 2.631 1241 F HA 0.708 5.235 4.527 -0.000 0.000 0.328 1241 F C 0.245 176.062 175.800 0.028 0.000 1.067 1241 F CA -0.753 57.165 58.000 -0.137 0.000 0.969 1241 F CB 1.984 40.653 39.000 -0.552 0.000 1.332 1241 F HN 0.525 nan 8.300 nan 0.000 0.490 1242 T N -2.743 111.993 114.554 0.304 0.000 2.916 1242 T HA 0.606 4.956 4.350 -0.000 0.000 0.292 1242 T C -1.336 173.602 174.700 0.397 0.000 1.064 1242 T CA -0.651 61.461 62.100 0.020 0.000 1.011 1242 T CB 1.760 70.585 68.868 -0.072 0.000 1.152 1242 T HN 0.835 nan 8.240 nan 0.000 0.510 1243 W N -0.041 121.381 121.300 0.203 0.000 0.811 1243 W HA 0.551 5.211 4.660 -0.000 0.000 0.300 1243 W C 0.369 176.952 176.519 0.106 0.000 0.845 1243 W CA -0.869 56.601 57.345 0.207 0.000 1.667 1243 W CB -0.715 28.878 29.460 0.222 0.000 1.374 1243 W HN 0.725 nan 8.180 nan 0.000 0.495 1244 E N 0.394 120.565 120.200 -0.048 0.000 2.085 1244 E HA -0.245 4.105 4.350 -0.000 0.000 0.194 1244 E C 1.762 178.266 176.600 -0.159 0.000 0.994 1244 E CA 1.944 58.240 56.400 -0.172 0.000 0.801 1244 E CB -0.139 29.405 29.700 -0.260 0.000 0.743 1244 E HN 0.435 nan 8.360 nan 0.000 0.453 1245 H N -0.186 118.922 119.070 0.062 0.000 2.353 1245 H HA -0.013 4.543 4.556 -0.000 0.000 0.300 1245 H C 2.324 177.517 175.328 -0.225 0.000 1.090 1245 H CA 1.293 57.338 56.048 -0.005 0.000 1.327 1245 H CB -0.063 29.791 29.762 0.153 0.000 1.383 1245 H HN 0.074 nan 8.280 nan 0.000 0.508 1246 S N 0.752 116.491 115.700 0.064 0.000 2.419 1246 S HA -0.096 4.374 4.470 -0.000 0.000 0.233 1246 S C 1.707 176.263 174.600 -0.073 0.000 1.016 1246 S CA 0.794 58.955 58.200 -0.064 0.000 0.974 1246 S CB 0.001 63.357 63.200 0.260 0.000 0.786 1246 S HN 0.423 nan 8.310 nan 0.000 0.492 1247 N N 0.712 119.423 118.700 0.019 0.000 2.280 1247 N HA 0.243 4.983 4.740 -0.000 0.000 0.192 1247 N C -0.126 175.357 175.510 -0.045 0.000 1.109 1247 N CA 0.008 53.078 53.050 0.034 0.000 0.855 1247 N CB -0.075 38.477 38.487 0.109 0.000 0.974 1247 N HN 0.359 nan 8.380 nan 0.000 0.482 1248 L N 1.416 122.576 121.223 -0.107 0.000 2.525 1248 L HA -0.040 4.300 4.340 -0.000 0.000 0.278 1248 L C 1.964 178.784 176.870 -0.082 0.000 1.218 1248 L CA 0.100 54.881 54.840 -0.099 0.000 0.878 1248 L CB 0.624 42.619 42.059 -0.106 0.000 1.127 1248 L HN 0.222 nan 8.230 nan 0.000 0.492 1249 E N 2.180 122.349 120.200 -0.052 0.000 2.114 1249 E HA -0.247 4.103 4.350 -0.000 0.000 0.199 1249 E C 1.679 178.253 176.600 -0.043 0.000 1.008 1249 E CA 2.150 58.527 56.400 -0.039 0.000 0.810 1249 E CB 0.138 29.822 29.700 -0.026 0.000 0.739 1249 E HN 0.663 nan 8.360 nan 0.000 0.456 1250 V N -0.234 119.654 119.914 -0.043 0.000 2.759 1250 V HA -0.140 3.980 4.120 -0.000 0.000 0.256 1250 V C 1.515 177.579 176.094 -0.050 0.000 1.080 1250 V CA 1.800 64.080 62.300 -0.032 0.000 1.101 1250 V CB -0.523 31.293 31.823 -0.012 0.000 0.698 1250 V HN 0.189 nan 8.190 nan 0.000 0.477 1251 N N 0.235 118.864 118.700 -0.118 0.000 2.356 1251 N HA 0.089 4.829 4.740 -0.000 0.000 0.178 1251 N C 1.622 177.044 175.510 -0.147 0.000 1.075 1251 N CA 0.538 53.460 53.050 -0.214 0.000 0.889 1251 N CB -0.029 38.064 38.487 -0.657 0.000 0.999 1251 N HN 0.524 nan 8.380 nan 0.000 0.464 1252 K N 0.897 121.239 120.400 -0.097 0.000 2.059 1252 K HA -0.124 4.195 4.320 -0.000 0.000 0.212 1252 K C -0.931 175.658 176.600 -0.019 0.000 1.050 1252 K CA 1.471 57.731 56.287 -0.044 0.000 0.927 1252 K CB -0.842 31.641 32.500 -0.028 0.000 0.714 1252 K HN 0.189 nan 8.250 nan 0.000 0.447 1253 P HA -0.106 nan 4.420 nan 0.000 0.234 1253 P C 0.058 177.352 177.300 -0.009 0.000 1.167 1253 P CA 1.166 64.253 63.100 -0.023 0.000 0.763 1253 P CB 0.062 31.746 31.700 -0.028 0.000 0.835 1254 K N -1.151 119.272 120.400 0.038 0.000 2.444 1254 K HA 0.085 4.405 4.320 -0.000 0.000 0.193 1254 K C 0.201 176.873 176.600 0.120 0.000 1.024 1254 K CA 0.102 56.448 56.287 0.099 0.000 1.077 1254 K CB -0.041 32.601 32.500 0.235 0.000 0.833 1254 K HN 0.151 nan 8.250 nan 0.000 0.517 1255 N N 1.477 120.229 118.700 0.087 0.000 2.422 1255 N HA 0.076 4.816 4.740 -0.000 0.000 0.266 1255 N C 0.422 175.926 175.510 -0.009 0.000 1.007 1255 N CA -0.034 53.063 53.050 0.078 0.000 0.941 1255 N CB 1.676 40.221 38.487 0.096 0.000 1.115 1255 N HN 0.051 nan 8.380 nan 0.000 0.492 1256 R N 2.337 122.818 120.500 -0.031 0.000 2.073 1256 R HA -0.070 4.270 4.340 -0.000 0.000 0.234 1256 R C -0.327 175.752 176.300 -0.368 0.000 1.134 1256 R CA 1.464 57.455 56.100 -0.182 0.000 0.952 1256 R CB 0.114 30.334 30.300 -0.133 0.000 0.850 1256 R HN 0.511 nan 8.270 nan 0.000 0.433 1257 Y N -0.916 119.375 120.300 -0.016 0.000 2.328 1257 Y HA 0.389 4.939 4.550 -0.000 0.000 0.333 1257 Y C 0.706 176.604 175.900 -0.003 0.000 0.958 1257 Y CA -0.445 57.645 58.100 -0.016 0.000 1.167 1257 Y CB 1.978 40.422 38.460 -0.026 0.000 1.151 1257 Y HN 0.093 nan 8.280 nan 0.000 0.470 1258 A N 2.353 125.233 122.820 0.101 0.000 2.070 1258 A HA -0.215 4.105 4.320 -0.000 0.000 0.220 1258 A C 1.722 179.355 177.584 0.081 0.000 1.159 1258 A CA 1.869 53.950 52.037 0.074 0.000 0.656 1258 A CB -0.414 18.614 19.000 0.047 0.000 0.800 1258 A HN 0.849 nan 8.150 nan 0.000 0.453 1259 N N -0.435 118.326 118.700 0.103 0.000 2.398 1259 N HA 0.046 4.785 4.740 -0.000 0.000 0.188 1259 N C -0.250 175.345 175.510 0.142 0.000 1.122 1259 N CA 0.442 53.540 53.050 0.080 0.000 0.866 1259 N CB -0.034 38.475 38.487 0.036 0.000 0.970 1259 N HN 0.158 nan 8.380 nan 0.000 0.462 1260 V N 2.701 122.700 119.914 0.140 0.000 2.304 1260 V HA 0.347 4.467 4.120 -0.000 0.000 0.278 1260 V C -0.075 176.026 176.094 0.013 0.000 1.018 1260 V CA -1.002 61.376 62.300 0.130 0.000 0.814 1260 V CB 0.312 32.204 31.823 0.114 0.000 1.021 1260 V HN 0.162 nan 8.190 nan 0.000 0.440 1261 I N 2.076 122.568 120.570 -0.129 0.000 3.217 1261 I HA 1.007 5.177 4.170 -0.000 0.000 0.308 1261 I C 0.208 176.205 176.117 -0.199 0.000 1.091 1261 I CA -1.617 59.623 61.300 -0.099 0.000 1.013 1261 I CB 1.618 39.565 38.000 -0.088 0.000 1.250 1261 I HN 0.438 nan 8.210 nan 0.000 0.496 1262 A N 1.720 124.524 122.820 -0.026 0.000 2.273 1262 A HA 0.644 4.964 4.320 -0.000 0.000 0.315 1262 A C -1.179 176.460 177.584 0.091 0.000 1.256 1262 A CA -0.428 51.564 52.037 -0.075 0.000 0.851 1262 A CB -0.350 18.638 19.000 -0.019 0.000 1.172 1262 A HN 0.495 nan 8.150 nan 0.000 0.508 1263 Y N 1.778 122.082 120.300 0.007 0.000 2.712 1263 Y HA -0.041 4.509 4.550 -0.000 0.000 0.333 1263 Y C 1.359 177.340 175.900 0.134 0.000 1.225 1263 Y CA -0.062 58.114 58.100 0.126 0.000 1.499 1263 Y CB 0.223 38.683 38.460 -0.001 0.000 1.288 1263 Y HN 0.759 nan 8.280 nan 0.000 0.575 1264 D N 0.847 121.521 120.400 0.458 0.000 2.123 1264 D HA -0.218 4.422 4.640 -0.000 0.000 0.196 1264 D C 2.066 178.520 176.300 0.257 0.000 0.992 1264 D CA 1.911 56.120 54.000 0.350 0.000 0.833 1264 D CB -0.242 40.772 40.800 0.357 0.000 0.954 1264 D HN 0.810 nan 8.370 nan 0.000 0.455 1265 H N 0.053 119.269 119.070 0.243 0.000 2.457 1265 H HA 0.050 4.605 4.556 -0.000 0.000 0.294 1265 H C 1.331 176.774 175.328 0.192 0.000 1.064 1265 H CA 1.601 57.765 56.048 0.194 0.000 1.330 1265 H CB -0.045 29.830 29.762 0.188 0.000 1.395 1265 H HN 0.150 nan 8.280 nan 0.000 0.541 1266 S N 0.425 115.872 115.700 -0.421 0.000 2.603 1266 S HA 0.128 4.597 4.470 -0.000 0.000 0.232 1266 S C 0.906 175.482 174.600 -0.040 0.000 1.016 1266 S CA -0.849 57.220 58.200 -0.220 0.000 0.976 1266 S CB 0.240 63.194 63.200 -0.411 0.000 0.921 1266 S HN 0.543 nan 8.310 nan 0.000 0.516 1267 R N 1.079 121.549 120.500 -0.049 0.000 2.643 1267 R HA 0.460 4.800 4.340 -0.000 0.000 0.270 1267 R C -0.736 175.461 176.300 -0.171 0.000 1.061 1267 R CA -0.510 55.522 56.100 -0.115 0.000 1.107 1267 R CB 0.251 30.525 30.300 -0.044 0.000 0.999 1267 R HN 0.040 nan 8.270 nan 0.000 0.460 1268 V N 4.234 123.909 119.914 -0.398 0.000 2.488 1268 V HA 0.136 4.256 4.120 -0.000 0.000 0.277 1268 V C 0.264 176.229 176.094 -0.216 0.000 1.046 1268 V CA -0.422 61.598 62.300 -0.467 0.000 0.986 1268 V CB 0.786 32.232 31.823 -0.629 0.000 0.989 1268 V HN 0.524 nan 8.190 nan 0.000 0.475 1269 L N 5.936 127.113 121.223 -0.077 0.000 2.307 1269 L HA 0.484 4.824 4.340 -0.000 0.000 0.282 1269 L C -0.033 176.814 176.870 -0.039 0.000 1.051 1269 L CA 0.169 54.974 54.840 -0.058 0.000 0.804 1269 L CB 1.295 43.345 42.059 -0.015 0.000 1.197 1269 L HN 0.448 nan 8.230 nan 0.000 0.431 1270 L N 1.680 122.878 121.223 -0.041 0.000 2.399 1270 L HA 0.420 4.760 4.340 -0.000 0.000 0.266 1270 L C 0.579 177.460 176.870 0.018 0.000 1.114 1270 L CA -0.689 54.148 54.840 -0.006 0.000 0.804 1270 L CB 1.349 43.406 42.059 -0.003 0.000 1.146 1270 L HN 0.728 nan 8.230 nan 0.000 0.451 1271 S N 1.243 116.965 115.700 0.036 0.000 2.560 1271 S HA 0.348 4.818 4.470 -0.000 0.000 0.284 1271 S C 0.187 174.808 174.600 0.035 0.000 1.327 1271 S CA -0.869 57.354 58.200 0.039 0.000 1.055 1271 S CB 0.951 64.182 63.200 0.050 0.000 0.868 1271 S HN 0.692 nan 8.310 nan 0.000 0.506 1272 A N 3.238 126.078 122.820 0.034 0.000 2.462 1272 A HA 0.461 4.780 4.320 -0.000 0.000 0.243 1272 A C 0.248 177.852 177.584 0.033 0.000 1.076 1272 A CA -0.552 51.506 52.037 0.035 0.000 0.773 1272 A CB -0.357 18.664 19.000 0.036 0.000 1.010 1272 A HN 0.857 nan 8.150 nan 0.000 0.493 1273 I N 1.399 121.989 120.570 0.034 0.000 2.331 1273 I HA 0.171 4.341 4.170 -0.000 0.000 0.292 1273 I C 0.527 176.660 176.117 0.027 0.000 0.998 1273 I CA -0.387 60.930 61.300 0.028 0.000 1.267 1273 I CB 1.471 39.488 38.000 0.027 0.000 1.386 1273 I HN 0.856 nan 8.210 nan 0.000 0.476 1274 E N 5.237 125.451 120.200 0.023 0.000 2.480 1274 E HA 0.169 4.518 4.350 -0.000 0.000 0.258 1274 E C 1.109 177.721 176.600 0.020 0.000 0.984 1274 E CA 1.059 57.472 56.400 0.021 0.000 0.930 1274 E CB 0.298 30.009 29.700 0.018 0.000 0.936 1274 E HN 0.813 nan 8.360 nan 0.000 0.466 1275 G N 4.298 113.110 108.800 0.020 0.000 2.162 1275 G HA2 -0.254 3.706 3.960 -0.000 0.000 0.260 1275 G HA3 -0.254 3.706 3.960 -0.000 0.000 0.260 1275 G C 0.223 175.134 174.900 0.020 0.000 0.976 1275 G CA 0.295 45.406 45.100 0.018 0.000 0.655 1275 G HN 0.534 nan 8.290 nan 0.000 0.533 1276 I N 1.587 122.172 120.570 0.024 0.000 2.428 1276 I HA 0.258 4.428 4.170 -0.000 0.000 0.279 1276 I C -2.279 173.859 176.117 0.034 0.000 1.040 1276 I CA -2.112 59.205 61.300 0.027 0.000 1.171 1276 I CB 1.626 39.643 38.000 0.029 0.000 1.312 1276 I HN -0.160 nan 8.210 nan 0.000 0.470 1277 P HA 0.111 nan 4.420 nan 0.000 0.267 1277 P C 1.032 178.361 177.300 0.048 0.000 1.200 1277 P CA 0.597 63.720 63.100 0.038 0.000 0.772 1277 P CB 0.751 32.467 31.700 0.027 0.000 0.855 1278 G N 1.960 110.801 108.800 0.068 0.000 2.184 1278 G HA2 -0.334 3.626 3.960 -0.000 0.000 0.264 1278 G HA3 -0.334 3.626 3.960 -0.000 0.000 0.264 1278 G C 1.229 176.195 174.900 0.110 0.000 0.975 1278 G CA 0.676 45.829 45.100 0.089 0.000 0.642 1278 G HN 0.626 nan 8.290 nan 0.000 0.536 1279 S N 0.904 116.652 115.700 0.081 0.000 2.469 1279 S HA -0.073 4.397 4.470 -0.000 0.000 0.238 1279 S C 1.699 176.343 174.600 0.073 0.000 0.998 1279 S CA 1.723 59.967 58.200 0.074 0.000 0.957 1279 S CB -0.231 63.000 63.200 0.052 0.000 0.764 1279 S HN 0.849 nan 8.310 nan 0.000 0.514 1280 D N -0.363 120.083 120.400 0.075 0.000 2.349 1280 D HA -0.044 4.596 4.640 -0.000 0.000 0.224 1280 D C 0.201 176.528 176.300 0.045 0.000 1.029 1280 D CA -0.193 53.832 54.000 0.042 0.000 0.879 1280 D CB -0.573 40.231 40.800 0.007 0.000 0.906 1280 D HN 0.591 nan 8.370 nan 0.000 0.528 1281 Y N 0.573 120.858 120.300 -0.025 0.000 2.320 1281 Y HA 0.469 5.018 4.550 -0.000 0.000 0.334 1281 Y C -0.920 174.966 175.900 -0.022 0.000 1.055 1281 Y CA -0.982 57.103 58.100 -0.026 0.000 1.143 1281 Y CB 1.328 39.800 38.460 0.020 0.000 1.193 1281 Y HN -0.143 nan 8.280 nan 0.000 0.477 1282 V N 7.080 126.503 119.914 -0.819 0.000 2.841 1282 V HA 0.343 4.463 4.120 -0.000 0.000 0.310 1282 V C -1.162 174.330 176.094 -1.004 0.000 1.090 1282 V CA -0.974 60.892 62.300 -0.723 0.000 0.930 1282 V CB 1.957 33.575 31.823 -0.342 0.000 1.014 1282 V HN 0.879 nan 8.190 nan 0.000 0.425 1283 N N 4.731 123.043 118.700 -0.647 0.000 2.549 1283 N HA 0.546 5.286 4.740 -0.000 0.000 0.267 1283 N C -0.504 174.855 175.510 -0.252 0.000 1.182 1283 N CA 0.808 53.650 53.050 -0.348 0.000 1.019 1283 N CB 0.468 38.918 38.487 -0.062 0.000 1.380 1283 N HN 1.054 nan 8.380 nan 0.000 0.505 1284 A N 3.063 125.709 122.820 -0.290 0.000 2.582 1284 A HA 0.555 4.875 4.320 -0.000 0.000 0.297 1284 A C -1.331 176.078 177.584 -0.292 0.000 1.059 1284 A CA -0.921 50.960 52.037 -0.261 0.000 0.705 1284 A CB 0.916 19.740 19.000 -0.292 0.000 1.279 1284 A HN 0.606 nan 8.150 nan 0.000 0.404 1285 N N -0.051 118.493 118.700 -0.260 0.000 2.229 1285 N HA 0.617 5.357 4.740 -0.000 0.000 0.298 1285 N C -1.506 173.880 175.510 -0.207 0.000 1.114 1285 N CA -0.492 52.408 53.050 -0.250 0.000 0.776 1285 N CB 1.084 39.467 38.487 -0.172 0.000 1.501 1285 N HN 0.558 nan 8.380 nan 0.000 0.474 1286 Y N 0.972 121.246 120.300 -0.044 0.000 2.411 1286 Y HA 0.297 4.846 4.550 -0.000 0.000 0.333 1286 Y C 0.244 176.164 175.900 0.033 0.000 1.186 1286 Y CA -0.022 58.080 58.100 0.003 0.000 1.381 1286 Y CB 0.481 38.938 38.460 -0.005 0.000 1.273 1286 Y HN 0.206 nan 8.280 nan 0.000 0.546 1287 I N 3.100 123.840 120.570 0.283 0.000 2.545 1287 I HA 0.205 4.375 4.170 -0.000 0.000 0.292 1287 I C -0.577 175.727 176.117 0.311 0.000 1.040 1287 I CA -1.175 60.272 61.300 0.246 0.000 1.068 1287 I CB 1.654 39.794 38.000 0.234 0.000 1.251 1287 I HN 0.526 nan 8.210 nan 0.000 0.424 1288 D N 3.619 124.159 120.400 0.233 0.000 2.362 1288 D HA 0.446 5.086 4.640 -0.000 0.000 0.242 1288 D C 0.593 177.144 176.300 0.419 0.000 1.132 1288 D CA 0.228 54.368 54.000 0.234 0.000 0.907 1288 D CB 1.454 42.350 40.800 0.160 0.000 1.195 1288 D HN 0.746 nan 8.370 nan 0.000 0.429 1289 G N -0.417 108.580 108.800 0.328 0.000 2.702 1289 G HA2 0.276 4.236 3.960 -0.000 0.000 0.254 1289 G HA3 0.276 4.236 3.960 -0.000 0.000 0.254 1289 G C -1.141 173.945 174.900 0.310 0.000 1.380 1289 G CA -0.639 44.709 45.100 0.414 0.000 1.042 1289 G HN 0.472 nan 8.290 nan 0.000 0.557 1290 Y N 0.759 121.098 120.300 0.065 0.000 2.480 1290 Y HA 0.336 4.886 4.550 -0.000 0.000 0.341 1290 Y C 1.292 177.190 175.900 -0.003 0.000 1.031 1290 Y CA -0.105 57.999 58.100 0.005 0.000 1.295 1290 Y CB 0.228 38.650 38.460 -0.063 0.000 1.162 1290 Y HN 0.641 nan 8.280 nan 0.000 0.523 1291 R N 3.066 123.276 120.500 -0.482 0.000 3.502 1291 R HA -0.251 4.089 4.340 -0.000 0.000 0.266 1291 R C -1.111 175.073 176.300 -0.193 0.000 1.077 1291 R CA 1.167 57.027 56.100 -0.401 0.000 0.718 1291 R CB -1.329 28.601 30.300 -0.617 0.000 1.120 1291 R HN 0.625 nan 8.270 nan 0.000 0.457 1292 K N 0.419 120.763 120.400 -0.093 0.000 2.513 1292 K HA 0.283 4.602 4.320 -0.000 0.000 0.251 1292 K C -0.928 175.649 176.600 -0.038 0.000 0.939 1292 K CA -0.953 55.289 56.287 -0.074 0.000 0.793 1292 K CB 1.988 34.439 32.500 -0.081 0.000 1.241 1292 K HN -0.135 nan 8.250 nan 0.000 0.431 1293 Q N 1.886 121.651 119.800 -0.059 0.000 2.257 1293 Q HA 0.297 4.637 4.340 -0.000 0.000 0.255 1293 Q C -0.496 175.462 176.000 -0.070 0.000 0.920 1293 Q CA -0.313 55.461 55.803 -0.048 0.000 0.927 1293 Q CB 0.793 29.490 28.738 -0.068 0.000 1.229 1293 Q HN 0.469 nan 8.270 nan 0.000 0.433 1294 N N 1.071 119.754 118.700 -0.030 0.000 2.727 1294 N HA -0.258 4.482 4.740 -0.000 0.000 0.249 1294 N C 0.002 175.503 175.510 -0.014 0.000 1.048 1294 N CA 0.911 53.944 53.050 -0.028 0.000 0.714 1294 N CB -0.968 37.342 38.487 -0.295 0.000 0.959 1294 N HN 0.736 nan 8.380 nan 0.000 0.544 1295 A N -1.426 121.353 122.820 -0.069 0.000 2.014 1295 A HA 0.029 4.349 4.320 -0.000 0.000 0.218 1295 A C 0.401 177.737 177.584 -0.413 0.000 1.163 1295 A CA 1.101 52.949 52.037 -0.315 0.000 0.652 1295 A CB 0.076 18.752 19.000 -0.540 0.000 0.808 1295 A HN 0.395 nan 8.150 nan 0.000 0.449 1296 Y N -2.084 118.297 120.300 0.135 0.000 2.570 1296 Y HA 0.673 5.223 4.550 -0.000 0.000 0.345 1296 Y C -0.321 175.657 175.900 0.129 0.000 1.014 1296 Y CA -1.163 57.014 58.100 0.129 0.000 1.063 1296 Y CB 1.364 39.912 38.460 0.146 0.000 1.272 1296 Y HN -0.080 nan 8.280 nan 0.000 0.477 1297 I N 2.120 122.829 120.570 0.231 0.000 2.355 1297 I HA 0.571 4.740 4.170 -0.000 0.000 0.288 1297 I C -0.505 175.641 176.117 0.050 0.000 0.999 1297 I CA -0.717 60.619 61.300 0.061 0.000 1.163 1297 I CB 1.282 39.241 38.000 -0.069 0.000 1.316 1297 I HN 0.727 nan 8.210 nan 0.000 0.454 1298 A N 4.788 127.614 122.820 0.010 0.000 2.274 1298 A HA 0.748 5.067 4.320 -0.000 0.000 0.309 1298 A C -0.161 177.392 177.584 -0.052 0.000 1.226 1298 A CA -0.216 51.816 52.037 -0.009 0.000 0.853 1298 A CB 1.011 19.998 19.000 -0.021 0.000 1.146 1298 A HN 0.626 nan 8.150 nan 0.000 0.518 1299 T N 1.026 115.572 114.554 -0.014 0.000 2.843 1299 T HA 0.484 4.833 4.350 -0.000 0.000 0.302 1299 T C -0.463 174.234 174.700 -0.005 0.000 1.232 1299 T CA -0.566 61.513 62.100 -0.036 0.000 1.009 1299 T CB 1.168 70.013 68.868 -0.038 0.000 1.254 1299 T HN 0.885 nan 8.240 nan 0.000 0.504 1300 Q N 1.189 120.965 119.800 -0.041 0.000 2.396 1300 Q HA 0.552 4.892 4.340 -0.000 0.000 0.221 1300 Q C 0.590 176.508 176.000 -0.136 0.000 1.025 1300 Q CA -0.775 55.012 55.803 -0.026 0.000 0.946 1300 Q CB 0.102 28.838 28.738 -0.003 0.000 1.224 1300 Q HN 0.759 nan 8.270 nan 0.000 0.539 1301 G N 1.184 109.928 108.800 -0.093 0.000 2.313 1301 G HA2 0.200 4.160 3.960 -0.000 0.000 0.250 1301 G HA3 0.200 4.160 3.960 -0.000 0.000 0.250 1301 G C 0.034 174.772 174.900 -0.269 0.000 1.281 1301 G CA -0.102 44.854 45.100 -0.240 0.000 0.917 1301 G HN 0.684 nan 8.290 nan 0.000 0.501 1302 S N 2.032 117.437 115.700 -0.492 0.000 2.593 1302 S HA 0.479 4.948 4.470 -0.000 0.000 0.269 1302 S C 0.210 174.782 174.600 -0.047 0.000 1.334 1302 S CA -0.611 57.406 58.200 -0.306 0.000 1.015 1302 S CB 1.049 63.943 63.200 -0.511 0.000 0.912 1302 S HN 0.457 nan 8.310 nan 0.000 0.541 1303 L N 1.503 122.643 121.223 -0.138 0.000 2.334 1303 L HA 0.414 4.754 4.340 -0.000 0.000 0.270 1303 L C -1.643 174.752 176.870 -0.792 0.000 1.018 1303 L CA -2.662 52.017 54.840 -0.269 0.000 0.811 1303 L CB 1.480 43.413 42.059 -0.209 0.000 1.271 1303 L HN 0.415 nan 8.230 nan 0.000 0.443 1304 P HA -0.187 nan 4.420 nan 0.000 0.216 1304 P C 0.662 177.515 177.300 -0.745 0.000 1.150 1304 P CA 1.232 63.590 63.100 -1.238 0.000 0.843 1304 P CB 0.266 31.660 31.700 -0.511 0.000 0.787 1305 E N -1.658 118.299 120.200 -0.405 0.000 2.347 1305 E HA -0.068 4.282 4.350 -0.000 0.000 0.196 1305 E C 1.471 177.987 176.600 -0.140 0.000 1.008 1305 E CA 1.408 57.685 56.400 -0.205 0.000 0.852 1305 E CB -0.892 28.732 29.700 -0.127 0.000 0.783 1305 E HN 0.383 nan 8.360 nan 0.000 0.505 1306 T N -2.893 111.549 114.554 -0.188 0.000 3.084 1306 T HA 0.141 4.491 4.350 -0.000 0.000 0.270 1306 T C 1.052 175.808 174.700 0.092 0.000 1.008 1306 T CA -0.389 61.690 62.100 -0.035 0.000 0.900 1306 T CB -0.261 68.586 68.868 -0.034 0.000 1.084 1306 T HN -0.133 nan 8.240 nan 0.000 0.538 1307 F N 3.099 123.056 119.950 0.011 0.000 2.120 1307 F HA 0.094 4.621 4.527 -0.000 0.000 0.300 1307 F C 2.624 178.528 175.800 0.173 0.000 1.095 1307 F CA 0.970 58.975 58.000 0.009 0.000 1.249 1307 F CB -1.401 37.598 39.000 -0.002 0.000 0.995 1307 F HN 0.403 nan 8.300 nan 0.000 0.480 1308 G N -0.064 108.981 108.800 0.407 0.000 2.459 1308 G HA2 -0.253 3.707 3.960 -0.000 0.000 0.217 1308 G HA3 -0.253 3.707 3.960 -0.000 0.000 0.217 1308 G C 1.423 176.477 174.900 0.256 0.000 1.183 1308 G CA 1.161 46.473 45.100 0.354 0.000 0.776 1308 G HN 0.261 nan 8.290 nan 0.000 0.552 1309 D N 0.002 120.501 120.400 0.166 0.000 2.149 1309 D HA -0.118 4.522 4.640 -0.000 0.000 0.198 1309 D C 1.970 178.307 176.300 0.060 0.000 0.990 1309 D CA 0.635 54.691 54.000 0.092 0.000 0.839 1309 D CB -0.380 40.450 40.800 0.050 0.000 0.948 1309 D HN 0.324 nan 8.370 nan 0.000 0.460 1310 F N -0.146 119.735 119.950 -0.115 0.000 2.102 1310 F HA -0.139 4.388 4.527 -0.000 0.000 0.298 1310 F C 2.023 177.640 175.800 -0.306 0.000 1.105 1310 F CA 1.404 59.212 58.000 -0.321 0.000 1.239 1310 F CB -0.505 38.159 39.000 -0.560 0.000 0.991 1310 F HN -0.049 nan 8.300 nan 0.000 0.474 1311 W N 0.418 121.739 121.300 0.035 0.000 2.388 1311 W HA -0.061 4.599 4.660 0.000 0.000 0.294 1311 W C 2.743 179.267 176.519 0.008 0.000 1.212 1311 W CA 1.139 58.476 57.345 -0.013 0.000 1.271 1311 W CB -0.414 29.119 29.460 0.121 0.000 1.126 1311 W HN -0.102 nan 8.180 nan 0.000 0.535 1312 R N 0.488 121.125 120.500 0.228 0.000 2.092 1312 R HA -0.170 4.169 4.340 -0.000 0.000 0.231 1312 R C 2.185 178.558 176.300 0.121 0.000 1.119 1312 R CA 1.632 57.831 56.100 0.166 0.000 0.970 1312 R CB -0.486 29.877 30.300 0.104 0.000 0.864 1312 R HN 0.195 nan 8.270 nan 0.000 0.440 1313 M N 0.241 119.828 119.600 -0.022 0.000 2.086 1313 M HA -0.174 4.305 4.480 -0.000 0.000 0.261 1313 M C 1.610 177.848 176.300 -0.104 0.000 1.067 1313 M CA 1.564 56.803 55.300 -0.103 0.000 1.116 1313 M CB -0.016 32.437 32.600 -0.244 0.000 1.348 1313 M HN 0.157 nan 8.290 nan 0.000 0.407 1314 I N 0.050 120.500 120.570 -0.200 0.000 2.151 1314 I HA -0.362 3.807 4.170 -0.000 0.000 0.243 1314 I C 2.384 178.546 176.117 0.074 0.000 1.080 1314 I CA 1.702 62.933 61.300 -0.115 0.000 1.339 1314 I CB -1.866 36.072 38.000 -0.103 0.000 1.039 1314 I HN 0.697 nan 8.210 nan 0.000 0.409 1315 W N 2.367 123.674 121.300 0.012 0.000 2.353 1315 W HA -0.193 4.466 4.660 -0.000 0.000 0.319 1315 W C 2.388 178.913 176.519 0.010 0.000 1.207 1315 W CA 1.540 58.905 57.345 0.033 0.000 1.291 1315 W CB -0.338 29.157 29.460 0.058 0.000 1.159 1315 W HN 0.245 nan 8.180 nan 0.000 0.478 1316 E N -0.292 120.096 120.200 0.312 0.000 2.204 1316 E HA -0.232 4.118 4.350 -0.000 0.000 0.195 1316 E C 1.941 178.572 176.600 0.052 0.000 0.990 1316 E CA 0.941 57.458 56.400 0.195 0.000 0.821 1316 E CB -0.172 29.636 29.700 0.179 0.000 0.750 1316 E HN 0.279 nan 8.360 nan 0.000 0.477 1317 Q N 0.011 119.822 119.800 0.019 0.000 2.360 1317 Q HA 0.090 4.429 4.340 -0.000 0.000 0.202 1317 Q C 0.036 176.015 176.000 -0.035 0.000 0.915 1317 Q CA 0.086 55.895 55.803 0.011 0.000 0.943 1317 Q CB 0.407 29.154 28.738 0.015 0.000 1.064 1317 Q HN 0.215 nan 8.270 nan 0.000 0.511 1318 R N 0.074 120.516 120.500 -0.096 0.000 3.641 1318 R HA -0.103 4.237 4.340 -0.000 0.000 0.286 1318 R C -0.454 175.790 176.300 -0.093 0.000 1.153 1318 R CA 0.459 56.471 56.100 -0.147 0.000 0.775 1318 R CB -2.502 27.714 30.300 -0.140 0.000 1.215 1318 R HN 0.026 nan 8.270 nan 0.000 0.474 1319 S N -0.458 115.205 115.700 -0.062 0.000 2.580 1319 S HA 0.429 4.899 4.470 -0.000 0.000 0.274 1319 S C 1.259 175.856 174.600 -0.006 0.000 1.329 1319 S CA -0.038 58.145 58.200 -0.029 0.000 1.036 1319 S CB 1.720 64.900 63.200 -0.034 0.000 0.919 1319 S HN 0.469 nan 8.310 nan 0.000 0.515 1320 A N 2.149 124.981 122.820 0.021 0.000 2.192 1320 A HA 0.363 4.683 4.320 -0.000 0.000 0.208 1320 A C 0.628 178.283 177.584 0.118 0.000 1.220 1320 A CA 0.157 52.226 52.037 0.054 0.000 0.900 1320 A CB 0.333 19.354 19.000 0.034 0.000 0.937 1320 A HN 0.634 nan 8.150 nan 0.000 0.487 1321 T N 0.134 114.759 114.554 0.119 0.000 2.881 1321 T HA 0.548 4.898 4.350 -0.000 0.000 0.290 1321 T C -1.126 173.670 174.700 0.159 0.000 1.000 1321 T CA -0.313 61.899 62.100 0.186 0.000 0.978 1321 T CB 1.926 70.894 68.868 0.167 0.000 0.997 1321 T HN -0.042 nan 8.240 nan 0.000 0.443 1322 V N 3.378 123.426 119.914 0.222 0.000 2.448 1322 V HA 0.522 4.641 4.120 -0.000 0.000 0.295 1322 V C -0.363 175.854 176.094 0.204 0.000 1.025 1322 V CA -0.754 61.667 62.300 0.201 0.000 0.859 1322 V CB 1.896 33.882 31.823 0.273 0.000 0.988 1322 V HN 0.727 nan 8.190 nan 0.000 0.431 1323 V N 6.182 126.125 119.914 0.049 0.000 2.357 1323 V HA 0.459 4.579 4.120 -0.000 0.000 0.284 1323 V C -0.050 175.930 176.094 -0.191 0.000 1.018 1323 V CA -0.346 61.930 62.300 -0.040 0.000 0.841 1323 V CB 1.491 33.047 31.823 -0.445 0.000 0.991 1323 V HN 0.921 nan 8.190 nan 0.000 0.437 1324 M N 6.372 125.893 119.600 -0.133 0.000 2.101 1324 M HA 0.454 4.934 4.480 -0.000 0.000 0.340 1324 M C -0.074 176.132 176.300 -0.156 0.000 1.057 1324 M CA -0.398 54.646 55.300 -0.427 0.000 0.984 1324 M CB 1.112 33.575 32.600 -0.228 0.000 1.560 1324 M HN 0.484 nan 8.290 nan 0.000 0.435 1325 M N 3.658 123.130 119.600 -0.213 0.000 2.626 1325 M HA 0.233 4.712 4.480 -0.000 0.000 0.262 1325 M C -0.173 176.069 176.300 -0.096 0.000 1.256 1325 M CA 0.244 55.477 55.300 -0.112 0.000 0.981 1325 M CB -0.800 31.678 32.600 -0.203 0.000 1.492 1325 M HN 0.774 nan 8.290 nan 0.000 0.474 1326 T N -0.086 114.449 114.554 -0.032 0.000 2.830 1326 T HA 0.358 4.708 4.350 -0.000 0.000 0.322 1326 T C -0.845 173.886 174.700 0.052 0.000 1.501 1326 T CA -0.684 61.412 62.100 -0.008 0.000 1.036 1326 T CB 2.061 70.919 68.868 -0.017 0.000 1.379 1326 T HN 0.192 nan 8.240 nan 0.000 0.493 1327 K N 2.261 122.689 120.400 0.046 0.000 2.168 1327 K HA 0.417 4.737 4.320 -0.000 0.000 0.258 1327 K C 1.361 178.019 176.600 0.095 0.000 1.010 1327 K CA -0.537 55.794 56.287 0.072 0.000 0.929 1327 K CB 0.738 33.263 32.500 0.041 0.000 0.998 1327 K HN 0.426 nan 8.250 nan 0.000 0.479 1328 L N 0.456 121.751 121.223 0.119 0.000 2.042 1328 L HA -0.155 4.185 4.340 -0.000 0.000 0.210 1328 L C 0.879 177.782 176.870 0.055 0.000 1.076 1328 L CA 1.474 56.373 54.840 0.098 0.000 0.749 1328 L CB -0.096 42.001 42.059 0.062 0.000 0.893 1328 L HN 0.668 nan 8.230 nan 0.000 0.432 1329 E N -0.532 119.692 120.200 0.039 0.000 2.272 1329 E HA 0.378 4.728 4.350 -0.000 0.000 0.269 1329 E C -1.172 175.436 176.600 0.014 0.000 0.877 1329 E CA -0.429 55.983 56.400 0.021 0.000 0.755 1329 E CB 1.597 31.305 29.700 0.012 0.000 1.192 1329 E HN 0.062 nan 8.360 nan 0.000 0.422 1330 E N 2.237 122.438 120.200 0.001 0.000 2.308 1330 E HA 0.302 4.652 4.350 -0.000 0.000 0.275 1330 E C -0.877 175.707 176.600 -0.028 0.000 0.890 1330 E CA -0.958 55.434 56.400 -0.013 0.000 0.754 1330 E CB 1.878 31.564 29.700 -0.024 0.000 1.207 1330 E HN 0.506 nan 8.360 nan 0.000 0.426 1331 R N 1.549 122.035 120.500 -0.023 0.000 3.627 1331 R HA -0.251 4.088 4.340 -0.000 0.000 0.281 1331 R C -0.665 175.634 176.300 -0.002 0.000 1.140 1331 R CA 1.088 57.180 56.100 -0.014 0.000 0.761 1331 R CB -2.616 27.650 30.300 -0.057 0.000 1.181 1331 R HN 0.712 nan 8.270 nan 0.000 0.472 1332 S N -2.548 113.152 115.700 0.001 0.000 3.561 1332 S HA -0.258 4.212 4.470 -0.000 0.000 0.318 1332 S C 0.043 174.643 174.600 0.001 0.000 1.181 1332 S CA 1.431 59.632 58.200 0.003 0.000 0.916 1332 S CB -0.968 62.236 63.200 0.007 0.000 0.966 1332 S HN 0.658 nan 8.310 nan 0.000 0.550 1333 R N 0.239 120.738 120.500 -0.002 0.000 2.561 1333 R HA 0.500 4.840 4.340 -0.000 0.000 0.297 1333 R C -0.379 175.924 176.300 0.005 0.000 0.969 1333 R CA -0.722 55.379 56.100 0.000 0.000 0.879 1333 R CB 1.683 31.983 30.300 -0.000 0.000 1.178 1333 R HN 0.120 nan 8.270 nan 0.000 0.445 1334 V N 5.095 125.012 119.914 0.005 0.000 2.485 1334 V HA -0.018 4.101 4.120 -0.000 0.000 0.287 1334 V C 1.091 177.200 176.094 0.026 0.000 1.022 1334 V CA 0.563 62.869 62.300 0.011 0.000 1.067 1334 V CB 0.842 32.664 31.823 -0.001 0.000 0.967 1334 V HN 0.686 nan 8.190 nan 0.000 0.479 1335 K N 2.695 123.120 120.400 0.041 0.000 2.308 1335 K HA 0.216 4.536 4.320 -0.000 0.000 0.197 1335 K C 0.302 176.952 176.600 0.083 0.000 1.049 1335 K CA 0.544 56.869 56.287 0.063 0.000 0.991 1335 K CB 0.369 32.897 32.500 0.046 0.000 0.836 1335 K HN 0.639 nan 8.250 nan 0.000 0.500 1336 C N 1.350 120.702 119.300 0.086 0.000 3.239 1336 C HA 0.371 4.831 4.460 -0.000 0.000 0.329 1336 C C -1.698 173.352 174.990 0.099 0.000 1.252 1336 C CA -0.910 58.176 59.018 0.113 0.000 1.323 1336 C CB 1.365 29.233 27.740 0.213 0.000 1.663 1336 C HN 0.306 nan 8.230 nan 0.000 0.487 1337 D N 2.292 122.772 120.400 0.133 0.000 2.193 1337 D HA 0.188 4.828 4.640 -0.000 0.000 0.249 1337 D C -0.554 175.789 176.300 0.071 0.000 1.034 1337 D CA -0.004 54.094 54.000 0.163 0.000 0.902 1337 D CB 1.502 42.476 40.800 0.289 0.000 1.182 1337 D HN 0.636 nan 8.370 nan 0.000 0.436 1338 Q N 1.909 121.591 119.800 -0.198 0.000 2.325 1338 Q HA -0.022 4.318 4.340 -0.000 0.000 0.256 1338 Q C -0.034 175.377 176.000 -0.982 0.000 1.142 1338 Q CA -0.111 55.219 55.803 -0.789 0.000 0.902 1338 Q CB 0.087 28.285 28.738 -0.900 0.000 1.350 1338 Q HN 0.561 nan 8.270 nan 0.000 0.449 1339 Y N 2.361 122.092 120.300 -0.948 0.000 2.466 1339 Y HA 0.225 4.775 4.550 -0.000 0.000 0.272 1339 Y C -0.528 175.152 175.900 -0.367 0.000 1.169 1339 Y CA -1.158 56.146 58.100 -1.326 0.000 1.285 1339 Y CB -0.206 37.666 38.460 -0.981 0.000 1.078 1339 Y HN 0.453 nan 8.280 nan 0.000 0.523 1340 W N 0.813 121.866 121.300 -0.411 0.000 2.799 1340 W HA 0.797 5.456 4.660 -0.001 0.000 0.349 1340 W C -3.185 173.338 176.519 0.006 0.000 1.100 1340 W CA -3.437 53.846 57.345 -0.102 0.000 1.174 1340 W CB 0.760 30.118 29.460 -0.169 0.000 1.427 1340 W HN -0.345 nan 8.180 nan 0.000 0.547 1341 P HA 0.108 nan 4.420 nan 0.000 0.281 1341 P C 0.378 177.844 177.300 0.277 0.000 1.252 1341 P CA 0.002 63.208 63.100 0.176 0.000 0.778 1341 P CB 1.902 33.715 31.700 0.188 0.000 0.895 1342 S N 2.399 118.151 115.700 0.087 0.000 2.399 1342 S HA -0.108 4.362 4.470 -0.000 0.000 0.231 1342 S C 1.015 175.699 174.600 0.140 0.000 1.022 1342 S CA 0.928 59.209 58.200 0.136 0.000 0.983 1342 S CB -0.304 62.916 63.200 0.033 0.000 0.803 1342 S HN 0.625 nan 8.310 nan 0.000 0.480 1343 R N -1.491 119.074 120.500 0.108 0.000 2.663 1343 R HA 0.546 4.886 4.340 -0.000 0.000 0.267 1343 R C 0.255 176.600 176.300 0.075 0.000 1.038 1343 R CA -0.366 55.784 56.100 0.083 0.000 0.886 1343 R CB 0.282 30.612 30.300 0.049 0.000 1.249 1343 R HN 0.144 nan 8.270 nan 0.000 0.463 1344 G N 0.963 109.803 108.800 0.066 0.000 2.528 1344 G HA2 -0.259 3.700 3.960 -0.000 0.000 0.262 1344 G HA3 -0.259 3.700 3.960 -0.000 0.000 0.262 1344 G C -0.829 174.112 174.900 0.069 0.000 1.200 1344 G CA 0.198 45.330 45.100 0.053 0.000 0.951 1344 G HN 0.805 nan 8.290 nan 0.000 0.566 1345 T N 0.906 115.484 114.554 0.038 0.000 2.856 1345 T HA 0.661 5.011 4.350 -0.000 0.000 0.283 1345 T C -0.411 174.281 174.700 -0.013 0.000 1.008 1345 T CA -0.169 61.946 62.100 0.026 0.000 0.997 1345 T CB 2.065 70.939 68.868 0.011 0.000 0.992 1345 T HN 0.666 nan 8.240 nan 0.000 0.454 1346 E N 0.875 121.047 120.200 -0.047 0.000 2.292 1346 E HA 0.467 4.817 4.350 -0.000 0.000 0.272 1346 E C -1.142 175.314 176.600 -0.240 0.000 0.881 1346 E CA -0.644 55.670 56.400 -0.143 0.000 0.754 1346 E CB 1.563 31.192 29.700 -0.118 0.000 1.201 1346 E HN 0.479 nan 8.360 nan 0.000 0.425 1347 T N 3.048 117.427 114.554 -0.292 0.000 2.767 1347 T HA 0.333 4.683 4.350 -0.000 0.000 0.284 1347 T C -0.834 173.628 174.700 -0.397 0.000 0.973 1347 T CA -0.567 61.386 62.100 -0.245 0.000 0.996 1347 T CB 0.383 69.175 68.868 -0.126 0.000 0.927 1347 T HN 0.286 nan 8.240 nan 0.000 0.456 1348 H N 2.133 121.225 119.070 0.037 0.000 2.762 1348 H HA 0.399 4.955 4.556 -0.000 0.000 0.310 1348 H C 1.164 176.572 175.328 0.134 0.000 1.004 1348 H CA 0.207 56.346 56.048 0.152 0.000 1.267 1348 H CB 1.167 31.110 29.762 0.302 0.000 1.437 1348 H HN 0.934 nan 8.280 nan 0.000 0.498 1349 G N 2.990 111.909 108.800 0.199 0.000 2.698 1349 G HA2 -0.362 3.598 3.960 -0.000 0.000 0.337 1349 G HA3 -0.362 3.598 3.960 -0.000 0.000 0.337 1349 G C 0.883 175.817 174.900 0.057 0.000 1.196 1349 G CA 0.520 45.692 45.100 0.121 0.000 0.965 1349 G HN 0.488 nan 8.290 nan 0.000 0.550 1350 L N 0.845 122.090 121.223 0.037 0.000 2.567 1350 L HA 0.390 4.730 4.340 -0.000 0.000 0.225 1350 L C 1.122 177.942 176.870 -0.083 0.000 1.119 1350 L CA 0.636 55.454 54.840 -0.037 0.000 0.871 1350 L CB -0.086 41.929 42.059 -0.074 0.000 1.036 1350 L HN 0.265 nan 8.230 nan 0.000 0.459 1351 V N 0.268 120.169 119.914 -0.022 0.000 2.448 1351 V HA 0.315 4.435 4.120 -0.000 0.000 0.295 1351 V C 0.219 176.286 176.094 -0.045 0.000 1.025 1351 V CA -0.847 61.417 62.300 -0.061 0.000 0.859 1351 V CB 2.189 34.021 31.823 0.015 0.000 0.988 1351 V HN 0.181 nan 8.190 nan 0.000 0.431 1352 Q N 2.796 122.572 119.800 -0.041 0.000 2.279 1352 Q HA 0.556 4.896 4.340 -0.000 0.000 0.256 1352 Q C -1.128 174.850 176.000 -0.037 0.000 0.937 1352 Q CA -0.337 55.448 55.803 -0.030 0.000 0.933 1352 Q CB 2.149 30.901 28.738 0.023 0.000 1.189 1352 Q HN 0.585 nan 8.270 nan 0.000 0.417 1353 V N 2.596 122.436 119.914 -0.123 0.000 2.487 1353 V HA 0.373 4.493 4.120 -0.000 0.000 0.298 1353 V C -0.259 175.833 176.094 -0.002 0.000 1.028 1353 V CA -0.617 61.560 62.300 -0.205 0.000 0.860 1353 V CB 2.013 33.444 31.823 -0.654 0.000 0.991 1353 V HN 0.730 nan 8.190 nan 0.000 0.427 1354 T N 5.710 120.340 114.554 0.126 0.000 2.792 1354 T HA 0.492 4.842 4.350 -0.000 0.000 0.280 1354 T C -0.488 174.376 174.700 0.272 0.000 0.990 1354 T CA -0.317 61.889 62.100 0.176 0.000 0.960 1354 T CB 1.366 70.327 68.868 0.155 0.000 0.939 1354 T HN 0.488 nan 8.240 nan 0.000 0.439 1355 L N 4.884 126.261 121.223 0.255 0.000 2.361 1355 L HA 0.351 4.691 4.340 -0.000 0.000 0.278 1355 L C 0.459 177.315 176.870 -0.024 0.000 1.113 1355 L CA 0.311 55.213 54.840 0.102 0.000 0.849 1355 L CB 0.005 42.152 42.059 0.148 0.000 1.155 1355 L HN 0.736 nan 8.230 nan 0.000 0.452 1356 L N 2.769 123.908 121.223 -0.140 0.000 2.316 1356 L HA 0.384 4.724 4.340 -0.000 0.000 0.207 1356 L C -0.156 176.651 176.870 -0.105 0.000 1.070 1356 L CA 0.200 54.989 54.840 -0.084 0.000 0.820 1356 L CB 0.137 42.154 42.059 -0.069 0.000 0.992 1356 L HN 0.709 nan 8.230 nan 0.000 0.466 1357 D N -1.628 118.664 120.400 -0.180 0.000 2.745 1357 D HA 0.288 4.928 4.640 -0.000 0.000 0.221 1357 D C -1.285 174.894 176.300 -0.201 0.000 1.237 1357 D CA -0.126 53.783 54.000 -0.151 0.000 0.781 1357 D CB 1.880 42.602 40.800 -0.129 0.000 1.575 1357 D HN -0.242 nan 8.370 nan 0.000 0.482 1358 T N 1.560 116.032 114.554 -0.137 0.000 2.921 1358 T HA 0.549 4.899 4.350 -0.000 0.000 0.297 1358 T C -1.042 173.601 174.700 -0.095 0.000 1.013 1358 T CA -0.567 61.454 62.100 -0.133 0.000 0.990 1358 T CB 1.615 70.431 68.868 -0.086 0.000 1.023 1358 T HN 0.180 nan 8.240 nan 0.000 0.447 1359 V N 3.209 123.062 119.914 -0.100 0.000 2.376 1359 V HA 0.383 4.503 4.120 -0.000 0.000 0.287 1359 V C -0.108 175.932 176.094 -0.091 0.000 1.015 1359 V CA -0.724 61.528 62.300 -0.080 0.000 0.834 1359 V CB 1.415 33.198 31.823 -0.066 0.000 1.001 1359 V HN 0.838 nan 8.190 nan 0.000 0.428 1360 E N 4.613 124.763 120.200 -0.083 0.000 2.146 1360 E HA 0.638 4.988 4.350 -0.000 0.000 0.282 1360 E C -0.812 175.709 176.600 -0.133 0.000 0.989 1360 E CA -0.206 56.139 56.400 -0.092 0.000 0.799 1360 E CB 1.355 31.024 29.700 -0.051 0.000 1.088 1360 E HN 0.552 nan 8.360 nan 0.000 0.397 1361 L N 1.260 122.350 121.223 -0.222 0.000 2.267 1361 L HA 0.529 4.869 4.340 -0.000 0.000 0.264 1361 L C 1.253 178.027 176.870 -0.161 0.000 1.021 1361 L CA -0.749 53.946 54.840 -0.242 0.000 0.861 1361 L CB 0.804 42.584 42.059 -0.466 0.000 1.443 1361 L HN 0.587 nan 8.230 nan 0.000 0.475 1362 A N -0.324 122.434 122.820 -0.103 0.000 1.898 1362 A HA -0.108 4.212 4.320 -0.000 0.000 0.216 1362 A C 1.762 179.328 177.584 -0.031 0.000 1.181 1362 A CA 2.126 54.139 52.037 -0.040 0.000 0.620 1362 A CB -0.750 18.250 19.000 0.000 0.000 0.819 1362 A HN 0.855 nan 8.150 nan 0.000 0.442 1363 T N -4.394 110.168 114.554 0.014 0.000 3.023 1363 T HA 0.445 4.795 4.350 -0.000 0.000 0.253 1363 T C 0.127 174.909 174.700 0.136 0.000 1.038 1363 T CA 0.386 62.516 62.100 0.050 0.000 0.962 1363 T CB -0.195 68.821 68.868 0.247 0.000 1.018 1363 T HN 0.812 nan 8.240 nan 0.000 0.521 1364 Y N -1.602 118.751 120.300 0.088 0.000 2.713 1364 Y HA 0.729 5.278 4.550 -0.000 0.000 0.335 1364 Y C -1.341 174.651 175.900 0.153 0.000 1.222 1364 Y CA -2.453 55.749 58.100 0.170 0.000 1.061 1364 Y CB 0.693 39.457 38.460 0.507 0.000 1.314 1364 Y HN 0.086 nan 8.280 nan 0.000 0.453 1365 C N 1.593 121.058 119.300 0.274 0.000 2.614 1365 C HA 0.932 5.392 4.460 -0.000 0.000 0.320 1365 C C -1.031 174.057 174.990 0.163 0.000 1.200 1365 C CA -0.461 58.615 59.018 0.096 0.000 1.700 1365 C CB 1.201 28.960 27.740 0.032 0.000 2.275 1365 C HN 0.739 nan 8.230 nan 0.000 0.492 1366 V N 5.648 125.550 119.914 -0.020 0.000 2.483 1366 V HA 0.589 4.709 4.120 -0.000 0.000 0.297 1366 V C -0.361 175.565 176.094 -0.280 0.000 1.027 1366 V CA -0.528 61.633 62.300 -0.231 0.000 0.855 1366 V CB 1.504 33.146 31.823 -0.302 0.000 0.995 1366 V HN 0.869 nan 8.190 nan 0.000 0.424 1367 R N 2.273 122.555 120.500 -0.362 0.000 2.562 1367 R HA 0.739 5.079 4.340 -0.000 0.000 0.298 1367 R C -0.754 175.176 176.300 -0.617 0.000 0.961 1367 R CA -0.616 55.182 56.100 -0.503 0.000 0.881 1367 R CB 2.206 32.150 30.300 -0.593 0.000 1.159 1367 R HN 0.651 nan 8.270 nan 0.000 0.450 1368 T N 3.069 117.234 114.554 -0.648 0.000 2.824 1368 T HA 0.558 4.908 4.350 -0.000 0.000 0.280 1368 T C -0.767 173.548 174.700 -0.642 0.000 0.995 1368 T CA -0.350 61.475 62.100 -0.459 0.000 1.009 1368 T CB 0.589 69.323 68.868 -0.223 0.000 0.955 1368 T HN 0.235 nan 8.240 nan 0.000 0.452 1369 F N 0.825 120.795 119.950 0.032 0.000 2.593 1369 F HA 0.736 5.263 4.527 -0.000 0.000 0.320 1369 F C 0.191 176.005 175.800 0.023 0.000 1.060 1369 F CA -1.264 56.758 58.000 0.037 0.000 0.940 1369 F CB 1.604 40.640 39.000 0.059 0.000 1.268 1369 F HN 0.610 nan 8.300 nan 0.000 0.475 1370 A N 2.342 125.295 122.820 0.220 0.000 2.331 1370 A HA 0.840 5.160 4.320 -0.000 0.000 0.320 1370 A C -1.622 176.016 177.584 0.091 0.000 1.138 1370 A CA -0.529 51.574 52.037 0.110 0.000 0.790 1370 A CB 0.716 19.791 19.000 0.125 0.000 1.206 1370 A HN 0.560 nan 8.150 nan 0.000 0.470 1371 L N 2.099 123.331 121.223 0.015 0.000 2.329 1371 L HA 0.619 4.959 4.340 -0.000 0.000 0.279 1371 L C -0.872 175.998 176.870 0.001 0.000 1.014 1371 L CA -0.358 54.541 54.840 0.098 0.000 0.814 1371 L CB 0.992 43.231 42.059 0.300 0.000 1.257 1371 L HN 0.658 nan 8.230 nan 0.000 0.424 1372 Y N 1.160 121.550 120.300 0.150 0.000 2.499 1372 Y HA 0.559 5.109 4.550 -0.000 0.000 0.347 1372 Y C 0.097 175.822 175.900 -0.291 0.000 0.987 1372 Y CA -0.776 57.356 58.100 0.053 0.000 1.044 1372 Y CB 2.271 40.746 38.460 0.025 0.000 1.245 1372 Y HN 0.382 nan 8.280 nan 0.000 0.461 1373 K N 1.573 121.700 120.400 -0.453 0.000 2.203 1373 K HA 0.324 4.644 4.320 -0.000 0.000 0.251 1373 K C -0.906 175.527 176.600 -0.278 0.000 0.944 1373 K CA -0.922 54.963 56.287 -0.670 0.000 0.829 1373 K CB 0.951 32.620 32.500 -1.384 0.000 1.125 1373 K HN 0.665 nan 8.250 nan 0.000 0.430 1374 N N 1.305 119.874 118.700 -0.217 0.000 2.429 1374 N HA 0.039 4.778 4.740 -0.000 0.000 0.271 1374 N C 0.727 176.182 175.510 -0.092 0.000 1.272 1374 N CA 1.204 54.185 53.050 -0.115 0.000 0.921 1374 N CB 0.676 39.110 38.487 -0.088 0.000 1.128 1374 N HN 0.935 nan 8.380 nan 0.000 0.481 1375 G N 0.724 109.496 108.800 -0.047 0.000 2.278 1375 G HA2 -0.236 3.723 3.960 -0.000 0.000 0.210 1375 G HA3 -0.236 3.723 3.960 -0.000 0.000 0.210 1375 G C 0.309 175.219 174.900 0.017 0.000 1.000 1375 G CA 0.230 45.321 45.100 -0.015 0.000 0.635 1375 G HN 0.715 nan 8.290 nan 0.000 0.495 1376 S N -0.029 115.684 115.700 0.022 0.000 2.687 1376 S HA 0.683 5.153 4.470 -0.000 0.000 0.283 1376 S C 1.468 176.156 174.600 0.147 0.000 1.170 1376 S CA 0.905 59.169 58.200 0.106 0.000 1.008 1376 S CB 1.684 64.995 63.200 0.184 0.000 1.026 1376 S HN 1.420 nan 8.310 nan 0.000 0.541 1377 S N 1.261 117.070 115.700 0.181 0.000 2.539 1377 S HA 0.303 4.772 4.470 -0.000 0.000 0.221 1377 S C 0.062 174.821 174.600 0.265 0.000 0.987 1377 S CA -0.460 57.864 58.200 0.206 0.000 0.929 1377 S CB -0.331 62.951 63.200 0.136 0.000 0.832 1377 S HN 0.768 nan 8.310 nan 0.000 0.492 1378 E N 1.956 122.328 120.200 0.287 0.000 2.415 1378 E HA 0.154 4.503 4.350 -0.000 0.000 0.262 1378 E C -0.404 176.291 176.600 0.160 0.000 1.038 1378 E CA 0.147 56.679 56.400 0.221 0.000 0.921 1378 E CB 0.552 30.381 29.700 0.215 0.000 0.950 1378 E HN 0.277 nan 8.360 nan 0.000 0.438 1379 K N 2.893 123.261 120.400 -0.053 0.000 2.206 1379 K HA 0.249 4.569 4.320 -0.000 0.000 0.264 1379 K C -0.686 175.775 176.600 -0.232 0.000 0.967 1379 K CA -0.676 55.406 56.287 -0.341 0.000 0.844 1379 K CB 0.756 33.073 32.500 -0.305 0.000 1.099 1379 K HN 0.339 nan 8.250 nan 0.000 0.441 1380 R N 2.613 122.975 120.500 -0.230 0.000 2.664 1380 R HA 0.257 4.597 4.340 -0.000 0.000 0.286 1380 R C -0.858 175.396 176.300 -0.077 0.000 0.967 1380 R CA -0.857 55.122 56.100 -0.202 0.000 0.933 1380 R CB 1.709 31.806 30.300 -0.339 0.000 1.146 1380 R HN 0.669 nan 8.270 nan 0.000 0.468 1381 E N 1.187 121.364 120.200 -0.039 0.000 2.171 1381 E HA 0.425 4.775 4.350 -0.000 0.000 0.271 1381 E C -1.378 175.276 176.600 0.090 0.000 0.916 1381 E CA -0.693 55.726 56.400 0.032 0.000 0.774 1381 E CB 1.648 31.355 29.700 0.012 0.000 1.128 1381 E HN 0.247 nan 8.360 nan 0.000 0.403 1382 V N 5.052 125.080 119.914 0.190 0.000 2.638 1382 V HA 0.526 4.646 4.120 -0.000 0.000 0.306 1382 V C -0.673 175.601 176.094 0.301 0.000 1.052 1382 V CA -0.929 61.531 62.300 0.267 0.000 0.885 1382 V CB 1.781 33.843 31.823 0.399 0.000 0.999 1382 V HN 0.720 nan 8.190 nan 0.000 0.424 1383 R N 3.303 123.933 120.500 0.217 0.000 2.589 1383 R HA 0.714 5.054 4.340 -0.000 0.000 0.293 1383 R C -0.719 175.680 176.300 0.164 0.000 0.963 1383 R CA -0.776 55.391 56.100 0.112 0.000 0.905 1383 R CB 2.120 32.350 30.300 -0.118 0.000 1.144 1383 R HN 0.717 nan 8.270 nan 0.000 0.459 1384 Q N 3.177 123.032 119.800 0.090 0.000 2.307 1384 Q HA 0.278 4.618 4.340 -0.000 0.000 0.262 1384 Q C -1.575 174.354 176.000 -0.117 0.000 0.961 1384 Q CA -0.627 55.256 55.803 0.133 0.000 0.882 1384 Q CB 1.017 29.909 28.738 0.256 0.000 1.264 1384 Q HN 0.641 nan 8.270 nan 0.000 0.446 1385 F N 2.883 122.917 119.950 0.140 0.000 2.332 1385 F HA 0.258 4.785 4.527 -0.000 0.000 0.368 1385 F C 0.231 176.245 175.800 0.355 0.000 1.110 1385 F CA -0.583 57.563 58.000 0.243 0.000 1.087 1385 F CB 1.602 40.664 39.000 0.105 0.000 1.235 1385 F HN 0.469 nan 8.300 nan 0.000 0.470 1386 Q N 4.652 124.709 119.800 0.428 0.000 2.368 1386 Q HA 0.259 4.599 4.340 -0.000 0.000 0.256 1386 Q C -1.184 175.012 176.000 0.326 0.000 0.980 1386 Q CA -0.825 55.144 55.803 0.277 0.000 0.887 1386 Q CB 0.821 29.609 28.738 0.084 0.000 1.221 1386 Q HN 0.576 nan 8.270 nan 0.000 0.458 1387 F N 3.578 123.449 119.950 -0.133 0.000 2.467 1387 F HA 0.116 4.643 4.527 -0.000 0.000 0.362 1387 F C 0.874 176.640 175.800 -0.057 0.000 1.090 1387 F CA 0.408 58.184 58.000 -0.373 0.000 1.202 1387 F CB 1.135 39.634 39.000 -0.834 0.000 1.113 1387 F HN 0.589 nan 8.300 nan 0.000 0.541 1388 T N 1.612 115.904 114.554 -0.437 0.000 3.044 1388 T HA 0.378 4.727 4.350 -0.000 0.000 0.260 1388 T C 0.940 175.395 174.700 -0.409 0.000 1.019 1388 T CA 0.373 62.301 62.100 -0.286 0.000 0.921 1388 T CB 0.194 68.997 68.868 -0.109 0.000 1.053 1388 T HN 0.547 nan 8.240 nan 0.000 0.533 1389 A N 0.204 122.482 122.820 -0.903 0.000 2.430 1389 A HA 0.331 4.650 4.320 -0.000 0.000 0.243 1389 A C 0.375 177.815 177.584 -0.241 0.000 1.254 1389 A CA -0.755 50.949 52.037 -0.555 0.000 0.914 1389 A CB -0.355 18.350 19.000 -0.491 0.000 0.998 1389 A HN 0.665 nan 8.150 nan 0.000 0.515 1390 W N 3.004 124.147 121.300 -0.262 0.000 2.253 1390 W HA 0.276 4.936 4.660 -0.000 0.000 0.322 1390 W C -2.547 173.919 176.519 -0.088 0.000 1.342 1390 W CA -1.883 55.451 57.345 -0.019 0.000 1.218 1390 W CB 0.791 30.277 29.460 0.042 0.000 1.205 1390 W HN 0.133 nan 8.180 nan 0.000 0.551 1391 P HA -0.025 nan 4.420 nan 0.000 0.272 1391 P C 0.411 177.774 177.300 0.104 0.000 1.230 1391 P CA 0.229 63.330 63.100 0.001 0.000 0.788 1391 P CB 1.038 32.676 31.700 -0.104 0.000 0.949 1392 D N -0.989 119.431 120.400 0.033 0.000 2.149 1392 D HA -0.125 4.515 4.640 -0.000 0.000 0.198 1392 D C 0.437 176.600 176.300 -0.228 0.000 0.990 1392 D CA 1.738 55.694 54.000 -0.073 0.000 0.839 1392 D CB -0.172 40.591 40.800 -0.061 0.000 0.948 1392 D HN 0.475 nan 8.370 nan 0.000 0.460 1393 H N -1.180 117.907 119.070 0.029 0.000 2.589 1393 H HA 0.488 5.044 4.556 -0.000 0.000 0.351 1393 H C 1.110 176.435 175.328 -0.005 0.000 1.074 1393 H CA 0.066 56.123 56.048 0.015 0.000 1.203 1393 H CB 1.738 31.494 29.762 -0.010 0.000 1.558 1393 H HN 0.180 nan 8.280 nan 0.000 0.522 1394 G N 1.388 110.261 108.800 0.122 0.000 2.593 1394 G HA2 -0.216 3.744 3.960 -0.000 0.000 0.237 1394 G HA3 -0.216 3.744 3.960 -0.000 0.000 0.237 1394 G C -0.288 174.595 174.900 -0.028 0.000 1.312 1394 G CA -0.154 44.968 45.100 0.037 0.000 0.896 1394 G HN 0.775 nan 8.290 nan 0.000 0.574 1395 V N -2.502 117.265 119.914 -0.245 0.000 2.850 1395 V HA 0.815 4.935 4.120 -0.000 0.000 0.315 1395 V C -2.044 173.523 176.094 -0.879 0.000 1.064 1395 V CA -1.919 59.944 62.300 -0.728 0.000 0.979 1395 V CB 1.444 32.897 31.823 -0.616 0.000 1.039 1395 V HN 0.781 nan 8.190 nan 0.000 0.452 1396 P HA 0.028 nan 4.420 nan 0.000 0.264 1396 P C 0.731 177.836 177.300 -0.325 0.000 1.179 1396 P CA 0.459 63.137 63.100 -0.703 0.000 0.763 1396 P CB 0.477 31.812 31.700 -0.608 0.000 0.806 1397 E N 1.797 121.839 120.200 -0.264 0.000 2.077 1397 E HA -0.181 4.169 4.350 -0.000 0.000 0.193 1397 E C -0.204 176.152 176.600 -0.406 0.000 0.989 1397 E CA 1.121 57.312 56.400 -0.349 0.000 0.800 1397 E CB 0.077 29.527 29.700 -0.416 0.000 0.746 1397 E HN 0.610 nan 8.360 nan 0.000 0.452 1398 H N -1.812 117.301 119.070 0.071 0.000 2.637 1398 H HA 0.186 4.742 4.556 -0.000 0.000 0.363 1398 H C -2.052 173.404 175.328 0.213 0.000 1.131 1398 H CA -2.221 53.897 56.048 0.116 0.000 1.183 1398 H CB 1.918 31.728 29.762 0.079 0.000 1.637 1398 H HN -0.043 nan 8.280 nan 0.000 0.531 1399 P HA -0.081 nan 4.420 nan 0.000 0.237 1399 P C 0.928 178.381 177.300 0.254 0.000 1.178 1399 P CA 0.793 64.040 63.100 0.246 0.000 0.766 1399 P CB 0.230 31.893 31.700 -0.062 0.000 0.876 1400 T N 0.077 114.763 114.554 0.221 0.000 2.674 1400 T HA -0.087 4.263 4.350 -0.000 0.000 0.265 1400 T C -0.589 174.234 174.700 0.205 0.000 1.039 1400 T CA 1.843 64.039 62.100 0.160 0.000 1.150 1400 T CB -2.074 66.859 68.868 0.108 0.000 0.864 1400 T HN 0.256 nan 8.240 nan 0.000 0.427 1401 P HA -0.011 nan 4.420 nan 0.000 0.217 1401 P C 1.287 178.855 177.300 0.447 0.000 1.150 1401 P CA 0.601 63.934 63.100 0.387 0.000 0.832 1401 P CB -0.176 31.794 31.700 0.450 0.000 0.787 1402 F N 0.542 120.636 119.950 0.240 0.000 2.102 1402 F HA -0.137 4.390 4.527 -0.000 0.000 0.298 1402 F C 1.967 177.797 175.800 0.050 0.000 1.105 1402 F CA 1.363 59.331 58.000 -0.053 0.000 1.239 1402 F CB -1.112 37.891 39.000 0.006 0.000 0.991 1402 F HN -0.275 nan 8.300 nan 0.000 0.474 1403 L N -0.026 121.134 121.223 -0.106 0.000 2.079 1403 L HA -0.238 4.101 4.340 -0.000 0.000 0.210 1403 L C 2.748 179.495 176.870 -0.204 0.000 1.081 1403 L CA 1.273 55.972 54.840 -0.236 0.000 0.752 1403 L CB -1.169 40.841 42.059 -0.082 0.000 0.896 1403 L HN 0.275 nan 8.230 nan 0.000 0.433 1404 A N -0.374 122.418 122.820 -0.046 0.000 1.930 1404 A HA -0.235 4.085 4.320 -0.000 0.000 0.217 1404 A C 2.148 179.696 177.584 -0.061 0.000 1.175 1404 A CA 1.219 53.256 52.037 -0.001 0.000 0.627 1404 A CB -0.733 18.343 19.000 0.127 0.000 0.815 1404 A HN 0.414 nan 8.150 nan 0.000 0.443 1405 F N 0.474 120.288 119.950 -0.228 0.000 2.095 1405 F HA -0.178 4.349 4.527 -0.000 0.000 0.298 1405 F C 1.794 177.316 175.800 -0.463 0.000 1.104 1405 F CA 1.864 59.614 58.000 -0.416 0.000 1.232 1405 F CB -0.344 38.474 39.000 -0.302 0.000 0.987 1405 F HN 0.205 nan 8.300 nan 0.000 0.475 1406 L N 1.172 122.037 121.223 -0.597 0.000 2.083 1406 L HA -0.137 4.203 4.340 -0.000 0.000 0.209 1406 L C 2.442 179.012 176.870 -0.501 0.000 1.083 1406 L CA 1.688 56.139 54.840 -0.648 0.000 0.752 1406 L CB -0.913 40.685 42.059 -0.767 0.000 0.899 1406 L HN 0.108 nan 8.230 nan 0.000 0.433 1407 R N -0.830 119.446 120.500 -0.373 0.000 2.083 1407 R HA -0.210 4.130 4.340 -0.000 0.000 0.237 1407 R C 2.390 178.521 176.300 -0.280 0.000 1.137 1407 R CA 1.557 57.500 56.100 -0.262 0.000 0.951 1407 R CB -0.449 29.752 30.300 -0.166 0.000 0.851 1407 R HN 0.261 nan 8.270 nan 0.000 0.434 1408 R N 1.026 121.333 120.500 -0.322 0.000 2.083 1408 R HA -0.126 4.213 4.340 -0.000 0.000 0.237 1408 R C 2.032 178.025 176.300 -0.511 0.000 1.137 1408 R CA 1.671 57.599 56.100 -0.286 0.000 0.951 1408 R CB -0.794 29.382 30.300 -0.206 0.000 0.851 1408 R HN 0.035 nan 8.270 nan 0.000 0.434 1409 V N 1.418 120.780 119.914 -0.921 0.000 2.282 1409 V HA -0.283 3.836 4.120 -0.000 0.000 0.249 1409 V C 2.216 177.968 176.094 -0.570 0.000 1.057 1409 V CA 2.132 63.720 62.300 -1.186 0.000 1.032 1409 V CB -0.518 30.717 31.823 -0.981 0.000 0.645 1409 V HN 0.287 nan 8.190 nan 0.000 0.447 1410 K N 0.575 120.754 120.400 -0.369 0.000 2.211 1410 K HA -0.096 4.223 4.320 -0.000 0.000 0.203 1410 K C 2.230 178.738 176.600 -0.152 0.000 1.050 1410 K CA 1.714 57.876 56.287 -0.208 0.000 0.945 1410 K CB -0.860 31.532 32.500 -0.179 0.000 0.732 1410 K HN 0.762 nan 8.250 nan 0.000 0.451 1411 T N -2.609 111.852 114.554 -0.155 0.000 3.067 1411 T HA -0.041 4.309 4.350 -0.000 0.000 0.261 1411 T C 1.939 176.613 174.700 -0.043 0.000 1.110 1411 T CA 0.560 62.611 62.100 -0.081 0.000 1.113 1411 T CB -0.371 68.463 68.868 -0.057 0.000 0.917 1411 T HN 0.100 nan 8.240 nan 0.000 0.499 1412 C N 1.394 120.660 119.300 -0.056 0.000 3.038 1412 C HA 0.445 4.905 4.460 -0.000 0.000 0.279 1412 C C 0.771 175.790 174.990 0.048 0.000 1.276 1412 C CA -1.252 57.796 59.018 0.050 0.000 1.697 1412 C CB -1.950 25.940 27.740 0.250 0.000 2.032 1412 C HN 0.569 nan 8.230 nan 0.000 0.636 1413 N N 2.259 120.947 118.700 -0.021 0.000 2.420 1413 N HA 0.365 5.105 4.740 -0.000 0.000 0.249 1413 N C -2.696 172.810 175.510 -0.007 0.000 1.033 1413 N CA -0.962 52.088 53.050 -0.000 0.000 0.944 1413 N CB 0.686 39.159 38.487 -0.023 0.000 1.113 1413 N HN 0.125 nan 8.380 nan 0.000 0.502 1414 P HA 0.097 nan 4.420 nan 0.000 0.267 1414 P C -2.004 175.282 177.300 -0.024 0.000 1.200 1414 P CA -0.956 62.139 63.100 -0.009 0.000 0.772 1414 P CB 0.359 32.055 31.700 -0.006 0.000 0.855 1415 P HA -0.073 nan 4.420 nan 0.000 0.242 1415 P C -0.073 177.202 177.300 -0.042 0.000 1.197 1415 P CA 0.996 64.073 63.100 -0.038 0.000 0.765 1415 P CB 0.064 31.743 31.700 -0.034 0.000 0.936 1416 D N -1.874 118.503 120.400 -0.039 0.000 2.469 1416 D HA 0.334 4.974 4.640 -0.000 0.000 0.215 1416 D C 0.608 176.879 176.300 -0.047 0.000 1.154 1416 D CA -0.532 53.442 54.000 -0.042 0.000 0.832 1416 D CB 0.101 40.879 40.800 -0.038 0.000 1.008 1416 D HN 0.016 nan 8.370 nan 0.000 0.506 1417 A N 0.340 123.133 122.820 -0.046 0.000 2.252 1417 A HA 0.731 5.051 4.320 -0.000 0.000 0.305 1417 A C 1.045 178.598 177.584 -0.051 0.000 1.097 1417 A CA -0.309 51.700 52.037 -0.047 0.000 0.849 1417 A CB 0.335 19.316 19.000 -0.032 0.000 1.142 1417 A HN 0.201 nan 8.150 nan 0.000 0.499 1418 G N -0.690 108.080 108.800 -0.049 0.000 2.583 1418 G HA2 0.459 4.419 3.960 -0.000 0.000 0.275 1418 G HA3 0.459 4.419 3.960 -0.000 0.000 0.275 1418 G C -2.558 172.327 174.900 -0.026 0.000 1.342 1418 G CA -0.906 44.172 45.100 -0.037 0.000 1.030 1418 G HN 0.548 nan 8.290 nan 0.000 0.520 1419 P HA 0.075 nan 4.420 nan 0.000 0.266 1419 P C 0.075 177.388 177.300 0.022 0.000 1.195 1419 P CA 0.004 63.110 63.100 0.011 0.000 0.768 1419 P CB 0.485 32.258 31.700 0.121 0.000 0.838 1420 M N 3.538 123.151 119.600 0.022 0.000 2.217 1420 M HA 0.121 4.601 4.480 -0.000 0.000 0.352 1420 M C -0.861 175.516 176.300 0.129 0.000 1.376 1420 M CA -0.136 55.217 55.300 0.088 0.000 1.107 1420 M CB 0.258 32.949 32.600 0.152 0.000 1.723 1420 M HN -0.020 nan 8.290 nan 0.000 0.461 1421 V N 6.744 126.700 119.914 0.070 0.000 2.455 1421 V HA 0.256 4.376 4.120 -0.000 0.000 0.273 1421 V C -0.230 175.900 176.094 0.059 0.000 1.045 1421 V CA -0.470 61.861 62.300 0.052 0.000 0.976 1421 V CB 0.921 32.729 31.823 -0.025 0.000 0.993 1421 V HN 0.667 nan 8.190 nan 0.000 0.475 1422 V N 5.712 125.655 119.914 0.048 0.000 2.495 1422 V HA 0.630 4.750 4.120 -0.000 0.000 0.298 1422 V C -0.520 175.595 176.094 0.036 0.000 1.031 1422 V CA -0.631 61.632 62.300 -0.061 0.000 0.871 1422 V CB 1.618 33.357 31.823 -0.140 0.000 0.988 1422 V HN 1.165 nan 8.190 nan 0.000 0.432 1423 H N 2.263 121.303 119.070 -0.051 0.000 2.996 1423 H HA 0.804 5.360 4.556 -0.000 0.000 0.368 1423 H C -0.243 175.054 175.328 -0.052 0.000 1.185 1423 H CA -0.318 55.703 56.048 -0.044 0.000 1.160 1423 H CB 1.356 31.097 29.762 -0.035 0.000 1.820 1423 H HN 0.758 nan 8.280 nan 0.000 0.547 1424 C N 1.388 120.738 119.300 0.084 0.000 3.911 1424 C HA 0.642 5.102 4.460 -0.000 0.000 0.140 1424 C C 1.857 176.918 174.990 0.118 0.000 2.815 1424 C CA 0.589 59.617 59.018 0.015 0.000 1.876 1424 C CB 0.674 28.327 27.740 -0.146 0.000 3.563 1424 C HN 0.924 nan 8.230 nan 0.000 0.435 1425 S N 1.759 117.480 115.700 0.034 0.000 2.339 1425 S HA 0.283 4.753 4.470 -0.000 0.000 0.213 1425 S C 1.726 176.409 174.600 0.138 0.000 1.033 1425 S CA 1.097 59.359 58.200 0.103 0.000 0.950 1425 S CB -0.984 62.274 63.200 0.098 0.000 0.893 1425 S HN 1.395 nan 8.310 nan 0.000 0.492 1426 A N 0.470 123.309 122.820 0.032 0.000 2.303 1426 A HA 0.624 4.944 4.320 -0.000 0.000 0.217 1426 A C 1.600 179.179 177.584 -0.007 0.000 1.205 1426 A CA 0.437 52.490 52.037 0.026 0.000 0.875 1426 A CB -0.747 18.125 19.000 -0.213 0.000 0.910 1426 A HN 1.581 nan 8.150 nan 0.000 0.501 1427 G N -0.828 107.960 108.800 -0.021 0.000 2.176 1427 G HA2 -0.203 3.757 3.960 -0.000 0.000 0.252 1427 G HA3 -0.203 3.757 3.960 -0.000 0.000 0.252 1427 G C 0.805 175.675 174.900 -0.049 0.000 1.024 1427 G CA 0.935 46.020 45.100 -0.025 0.000 0.755 1427 G HN 1.628 nan 8.290 nan 0.000 0.507 1428 V N -4.666 115.211 119.914 -0.062 0.000 3.305 1428 V HA 0.636 4.756 4.120 -0.000 0.000 0.247 1428 V C 1.989 178.057 176.094 -0.043 0.000 1.426 1428 V CA 1.447 63.723 62.300 -0.040 0.000 1.162 1428 V CB -0.320 31.510 31.823 0.012 0.000 0.961 1428 V HN 0.863 nan 8.190 nan 0.000 0.449 1429 G N 1.009 109.749 108.800 -0.099 0.000 2.670 1429 G HA2 0.050 4.009 3.960 -0.000 0.000 0.219 1429 G HA3 0.050 4.009 3.960 -0.000 0.000 0.219 1429 G C 1.496 176.284 174.900 -0.185 0.000 1.342 1429 G CA 0.534 45.563 45.100 -0.118 0.000 0.902 1429 G HN 0.366 nan 8.290 nan 0.000 0.553 1430 R N -0.018 120.257 120.500 -0.375 0.000 2.120 1430 R HA -0.028 4.312 4.340 -0.000 0.000 0.234 1430 R C 2.767 178.901 176.300 -0.276 0.000 1.123 1430 R CA 1.553 57.291 56.100 -0.603 0.000 0.975 1430 R CB -0.671 29.039 30.300 -0.983 0.000 0.866 1430 R HN 0.291 nan 8.270 nan 0.000 0.446 1431 T N 0.138 114.590 114.554 -0.170 0.000 2.684 1431 T HA -0.149 4.201 4.350 -0.000 0.000 0.267 1431 T C 1.928 176.636 174.700 0.014 0.000 1.036 1431 T CA 1.660 63.726 62.100 -0.057 0.000 1.148 1431 T CB -0.508 68.326 68.868 -0.056 0.000 0.863 1431 T HN 0.562 nan 8.240 nan 0.000 0.436 1432 G N 0.035 108.834 108.800 -0.002 0.000 2.422 1432 G HA2 -0.218 3.742 3.960 -0.000 0.000 0.218 1432 G HA3 -0.218 3.742 3.960 -0.000 0.000 0.218 1432 G C 1.903 176.855 174.900 0.087 0.000 1.146 1432 G CA 1.022 46.147 45.100 0.043 0.000 0.769 1432 G HN 0.540 nan 8.290 nan 0.000 0.547 1433 C N -0.282 119.067 119.300 0.083 0.000 2.453 1433 C HA 0.040 4.500 4.460 -0.000 0.000 0.277 1433 C C 2.408 177.505 174.990 0.177 0.000 1.262 1433 C CA 0.675 59.777 59.018 0.139 0.000 1.718 1433 C CB -1.222 26.609 27.740 0.152 0.000 2.031 1433 C HN 0.484 nan 8.230 nan 0.000 0.480 1434 F N 1.700 121.693 119.950 0.071 0.000 2.069 1434 F HA -0.164 4.362 4.527 -0.000 0.000 0.298 1434 F C 2.133 177.975 175.800 0.069 0.000 1.113 1434 F CA 1.844 59.995 58.000 0.252 0.000 1.214 1434 F CB -0.361 38.763 39.000 0.206 0.000 0.978 1434 F HN 0.151 nan 8.300 nan 0.000 0.474 1435 I N -0.536 120.098 120.570 0.107 0.000 2.226 1435 I HA -0.281 3.889 4.170 -0.000 0.000 0.245 1435 I C 2.195 178.237 176.117 -0.123 0.000 1.100 1435 I CA 1.174 62.333 61.300 -0.236 0.000 1.374 1435 I CB -0.581 37.215 38.000 -0.340 0.000 1.057 1435 I HN 0.031 nan 8.210 nan 0.000 0.413 1436 V N 0.999 120.927 119.914 0.024 0.000 2.358 1436 V HA -0.235 3.885 4.120 -0.000 0.000 0.246 1436 V C 2.282 178.351 176.094 -0.042 0.000 1.047 1436 V CA 1.648 63.995 62.300 0.079 0.000 1.035 1436 V CB -0.380 31.530 31.823 0.146 0.000 0.658 1436 V HN 0.321 nan 8.190 nan 0.000 0.452 1437 I N 0.454 121.000 120.570 -0.041 0.000 2.202 1437 I HA -0.234 3.936 4.170 -0.000 0.000 0.242 1437 I C 2.410 178.423 176.117 -0.173 0.000 1.091 1437 I CA 1.998 63.252 61.300 -0.077 0.000 1.368 1437 I CB -0.450 37.588 38.000 0.063 0.000 1.058 1437 I HN 0.357 nan 8.210 nan 0.000 0.410 1438 D N 1.108 121.346 120.400 -0.270 0.000 2.116 1438 D HA -0.212 4.428 4.640 -0.000 0.000 0.193 1438 D C 2.142 178.373 176.300 -0.116 0.000 0.998 1438 D CA 1.813 55.657 54.000 -0.260 0.000 0.836 1438 D CB 0.039 40.644 40.800 -0.325 0.000 0.951 1438 D HN 0.308 nan 8.370 nan 0.000 0.449 1439 A N -0.107 122.666 122.820 -0.078 0.000 1.930 1439 A HA -0.108 4.212 4.320 -0.000 0.000 0.217 1439 A C 2.203 179.658 177.584 -0.215 0.000 1.175 1439 A CA 1.435 53.422 52.037 -0.083 0.000 0.627 1439 A CB -0.442 18.424 19.000 -0.224 0.000 0.815 1439 A HN 0.237 nan 8.150 nan 0.000 0.443 1440 M N -0.947 118.510 119.600 -0.240 0.000 2.254 1440 M HA 0.001 4.481 4.480 -0.000 0.000 0.265 1440 M C 1.859 178.010 176.300 -0.249 0.000 1.066 1440 M CA 0.889 56.033 55.300 -0.260 0.000 1.123 1440 M CB -1.144 31.333 32.600 -0.204 0.000 1.388 1440 M HN 0.294 nan 8.290 nan 0.000 0.425 1441 L N 0.639 121.741 121.223 -0.202 0.000 2.056 1441 L HA -0.145 4.194 4.340 -0.000 0.000 0.207 1441 L C 2.265 179.029 176.870 -0.178 0.000 1.078 1441 L CA 1.759 56.493 54.840 -0.177 0.000 0.749 1441 L CB -1.042 40.918 42.059 -0.165 0.000 0.901 1441 L HN 0.367 nan 8.230 nan 0.000 0.433 1442 E N -1.037 119.057 120.200 -0.176 0.000 2.106 1442 E HA -0.242 4.108 4.350 -0.000 0.000 0.192 1442 E C 2.249 178.655 176.600 -0.323 0.000 0.984 1442 E CA 0.836 57.155 56.400 -0.135 0.000 0.806 1442 E CB -0.101 29.597 29.700 -0.003 0.000 0.750 1442 E HN 0.368 nan 8.360 nan 0.000 0.458 1443 R N 1.123 121.208 120.500 -0.691 0.000 2.081 1443 R HA -0.132 4.208 4.340 -0.000 0.000 0.235 1443 R C 2.277 178.314 176.300 -0.438 0.000 1.131 1443 R CA 1.164 56.613 56.100 -1.085 0.000 0.960 1443 R CB -0.190 29.517 30.300 -0.987 0.000 0.856 1443 R HN 0.107 nan 8.270 nan 0.000 0.436 1444 I N 0.926 121.324 120.570 -0.287 0.000 2.226 1444 I HA -0.279 3.891 4.170 -0.000 0.000 0.245 1444 I C 2.582 178.633 176.117 -0.110 0.000 1.100 1444 I CA 1.359 62.558 61.300 -0.168 0.000 1.374 1444 I CB -0.270 37.646 38.000 -0.141 0.000 1.057 1444 I HN 0.237 nan 8.210 nan 0.000 0.413 1445 K N -0.075 120.270 120.400 -0.092 0.000 2.147 1445 K HA -0.270 4.049 4.320 -0.000 0.000 0.205 1445 K C 2.181 178.806 176.600 0.041 0.000 1.049 1445 K CA 1.685 57.956 56.287 -0.028 0.000 0.936 1445 K CB -0.045 32.444 32.500 -0.019 0.000 0.722 1445 K HN 0.338 nan 8.250 nan 0.000 0.446 1446 H N -0.455 118.578 119.070 -0.060 0.000 2.451 1446 H HA 0.164 4.720 4.556 -0.000 0.000 0.294 1446 H C 1.057 176.393 175.328 0.014 0.000 1.028 1446 H CA 1.241 57.301 56.048 0.021 0.000 1.349 1446 H CB 0.709 30.573 29.762 0.170 0.000 1.444 1446 H HN 0.197 nan 8.280 nan 0.000 0.538 1447 E N -0.657 119.489 120.200 -0.089 0.000 2.571 1447 E HA 0.077 4.427 4.350 -0.000 0.000 0.222 1447 E C -0.301 176.243 176.600 -0.092 0.000 0.904 1447 E CA -0.041 56.288 56.400 -0.117 0.000 1.157 1447 E CB 0.917 30.603 29.700 -0.023 0.000 1.158 1447 E HN 0.080 nan 8.360 nan 0.000 0.540 1448 K N 1.298 121.644 120.400 -0.090 0.000 3.077 1448 K HA -0.156 4.164 4.320 -0.000 0.000 0.264 1448 K C -0.413 176.142 176.600 -0.074 0.000 1.008 1448 K CA 1.508 57.748 56.287 -0.079 0.000 0.740 1448 K CB -2.675 29.786 32.500 -0.064 0.000 1.273 1448 K HN 0.458 nan 8.250 nan 0.000 0.477 1449 T N -3.785 110.717 114.554 -0.087 0.000 2.883 1449 T HA 0.705 5.055 4.350 -0.000 0.000 0.301 1449 T C -0.025 174.612 174.700 -0.104 0.000 1.158 1449 T CA -0.491 61.563 62.100 -0.078 0.000 1.007 1449 T CB 2.794 71.633 68.868 -0.048 0.000 1.186 1449 T HN 0.205 nan 8.240 nan 0.000 0.499 1450 V N -0.806 119.051 119.914 -0.095 0.000 2.581 1450 V HA 0.819 4.939 4.120 -0.000 0.000 0.303 1450 V C -0.975 175.091 176.094 -0.046 0.000 1.041 1450 V CA -0.693 61.547 62.300 -0.100 0.000 0.907 1450 V CB 1.653 33.403 31.823 -0.122 0.000 0.994 1450 V HN 1.008 nan 8.190 nan 0.000 0.442 1451 D N 2.656 123.056 120.400 -0.000 0.000 2.513 1451 D HA 0.435 5.075 4.640 -0.000 0.000 0.295 1451 D C 0.810 177.197 176.300 0.146 0.000 1.202 1451 D CA -0.358 53.699 54.000 0.094 0.000 0.849 1451 D CB 0.639 41.524 40.800 0.140 0.000 1.116 1451 D HN 0.541 nan 8.370 nan 0.000 0.502 1452 I N 0.872 121.501 120.570 0.098 0.000 2.163 1452 I HA -0.265 3.905 4.170 -0.000 0.000 0.243 1452 I C 1.951 178.258 176.117 0.317 0.000 1.085 1452 I CA 1.006 62.373 61.300 0.112 0.000 1.347 1452 I CB -0.317 37.584 38.000 -0.165 0.000 1.044 1452 I HN 0.350 nan 8.210 nan 0.000 0.408 1453 Y N 1.715 122.190 120.300 0.293 0.000 2.097 1453 Y HA -0.254 4.295 4.550 -0.000 0.000 0.282 1453 Y C 2.468 178.486 175.900 0.196 0.000 1.152 1453 Y CA 1.879 60.167 58.100 0.313 0.000 1.136 1453 Y CB -0.826 37.775 38.460 0.234 0.000 0.975 1453 Y HN 0.103 nan 8.280 nan 0.000 0.498 1454 G N -1.904 107.070 108.800 0.291 0.000 2.422 1454 G HA2 -0.338 3.622 3.960 -0.000 0.000 0.218 1454 G HA3 -0.338 3.622 3.960 -0.000 0.000 0.218 1454 G C 1.359 176.340 174.900 0.134 0.000 1.146 1454 G CA 1.183 46.393 45.100 0.184 0.000 0.769 1454 G HN 0.551 nan 8.290 nan 0.000 0.547 1455 H N -0.152 118.978 119.070 0.100 0.000 2.389 1455 H HA 0.033 4.589 4.556 -0.000 0.000 0.299 1455 H C 2.614 177.986 175.328 0.072 0.000 1.081 1455 H CA 1.329 57.434 56.048 0.096 0.000 1.345 1455 H CB -0.002 29.825 29.762 0.108 0.000 1.393 1455 H HN 0.133 nan 8.280 nan 0.000 0.520 1456 V N -0.411 119.559 119.914 0.092 0.000 2.358 1456 V HA -0.250 3.870 4.120 -0.000 0.000 0.246 1456 V C 2.330 178.374 176.094 -0.084 0.000 1.047 1456 V CA 2.147 64.470 62.300 0.038 0.000 1.035 1456 V CB -0.778 31.152 31.823 0.179 0.000 0.658 1456 V HN 0.524 nan 8.190 nan 0.000 0.452 1457 T N 0.592 115.043 114.554 -0.171 0.000 2.720 1457 T HA -0.232 4.118 4.350 -0.000 0.000 0.268 1457 T C 1.888 176.543 174.700 -0.075 0.000 1.037 1457 T CA 2.004 64.000 62.100 -0.173 0.000 1.144 1457 T CB -0.351 68.374 68.868 -0.238 0.000 0.864 1457 T HN 0.313 nan 8.240 nan 0.000 0.444 1458 L N 0.425 121.597 121.223 -0.086 0.000 2.056 1458 L HA 0.095 4.435 4.340 -0.000 0.000 0.207 1458 L C 2.341 179.165 176.870 -0.076 0.000 1.078 1458 L CA 1.659 56.457 54.840 -0.070 0.000 0.749 1458 L CB -0.474 41.516 42.059 -0.116 0.000 0.901 1458 L HN 0.244 nan 8.230 nan 0.000 0.433 1459 M N -1.365 118.141 119.600 -0.156 0.000 2.229 1459 M HA -0.128 4.352 4.480 -0.000 0.000 0.264 1459 M C 2.110 178.393 176.300 -0.027 0.000 1.063 1459 M CA 1.096 56.340 55.300 -0.093 0.000 1.114 1459 M CB -0.275 32.263 32.600 -0.103 0.000 1.387 1459 M HN 0.124 nan 8.290 nan 0.000 0.420 1460 R N 0.178 120.666 120.500 -0.020 0.000 2.193 1460 R HA -0.021 4.319 4.340 -0.000 0.000 0.229 1460 R C 2.005 178.351 176.300 0.077 0.000 1.110 1460 R CA 1.375 57.477 56.100 0.004 0.000 0.988 1460 R CB -0.709 29.591 30.300 -0.001 0.000 0.871 1460 R HN 0.375 nan 8.270 nan 0.000 0.458 1461 A N 0.526 123.431 122.820 0.142 0.000 2.167 1461 A HA -0.086 4.234 4.320 -0.000 0.000 0.214 1461 A C 1.764 179.524 177.584 0.294 0.000 1.151 1461 A CA 0.736 52.954 52.037 0.301 0.000 0.735 1461 A CB 0.031 19.211 19.000 0.300 0.000 0.802 1461 A HN 0.317 nan 8.150 nan 0.000 0.467 1462 Q N -1.795 118.104 119.800 0.165 0.000 2.402 1462 Q HA 0.236 4.576 4.340 -0.000 0.000 0.231 1462 Q C 0.652 176.648 176.000 -0.006 0.000 0.888 1462 Q CA 0.200 56.074 55.803 0.119 0.000 0.938 1462 Q CB 0.651 29.437 28.738 0.080 0.000 1.086 1462 Q HN 0.497 nan 8.270 nan 0.000 0.543 1463 R N 1.384 121.811 120.500 -0.122 0.000 2.561 1463 R HA 0.159 4.499 4.340 -0.000 0.000 0.266 1463 R C -1.511 174.464 176.300 -0.542 0.000 1.091 1463 R CA -0.413 55.428 56.100 -0.432 0.000 0.927 1463 R CB 1.104 31.241 30.300 -0.272 0.000 1.240 1463 R HN 0.224 nan 8.270 nan 0.000 0.449 1464 N N 3.243 121.330 118.700 -1.023 0.000 2.412 1464 N HA -0.049 4.691 4.740 -0.000 0.000 0.254 1464 N C -0.694 174.435 175.510 -0.634 0.000 1.232 1464 N CA 0.001 52.447 53.050 -1.007 0.000 0.880 1464 N CB 0.278 37.805 38.487 -1.600 0.000 1.076 1464 N HN 0.745 nan 8.380 nan 0.000 0.458 1465 Y N -2.588 117.629 120.300 -0.139 0.000 4.907 1465 Y HA -0.220 4.329 4.550 -0.000 0.000 0.246 1465 Y C 0.152 176.015 175.900 -0.061 0.000 0.968 1465 Y CA -0.123 57.920 58.100 -0.095 0.000 1.961 1465 Y CB -1.945 36.446 38.460 -0.115 0.000 1.487 1465 Y HN 0.598 nan 8.280 nan 0.000 0.575 1466 M N 1.056 120.671 119.600 0.025 0.000 2.286 1466 M HA 0.133 4.613 4.480 -0.000 0.000 0.365 1466 M C 1.009 177.371 176.300 0.102 0.000 1.443 1466 M CA 0.790 56.111 55.300 0.034 0.000 0.951 1466 M CB -0.481 32.118 32.600 -0.002 0.000 1.961 1466 M HN 0.352 nan 8.290 nan 0.000 0.468 1467 V N 3.546 123.533 119.914 0.122 0.000 4.959 1467 V HA -0.246 3.874 4.120 -0.000 0.000 0.370 1467 V C 1.102 177.340 176.094 0.241 0.000 0.656 1467 V CA 1.020 63.441 62.300 0.202 0.000 1.480 1467 V CB -1.821 30.199 31.823 0.328 0.000 1.789 1467 V HN 1.047 nan 8.190 nan 0.000 0.474 1468 Q N 1.657 121.541 119.800 0.140 0.000 2.331 1468 Q HA 0.041 4.381 4.340 -0.000 0.000 0.203 1468 Q C 1.017 177.097 176.000 0.132 0.000 0.944 1468 Q CA 1.371 57.240 55.803 0.112 0.000 0.892 1468 Q CB 0.532 29.262 28.738 -0.012 0.000 0.983 1468 Q HN 1.080 nan 8.270 nan 0.000 0.482 1469 T N -3.946 110.650 114.554 0.069 0.000 2.907 1469 T HA 0.242 4.592 4.350 -0.000 0.000 0.292 1469 T C 0.403 174.847 174.700 -0.427 0.000 1.043 1469 T CA -0.808 61.247 62.100 -0.074 0.000 1.003 1469 T CB 1.641 70.468 68.868 -0.068 0.000 1.084 1469 T HN 0.162 nan 8.240 nan 0.000 0.483 1470 E N 0.332 120.102 120.200 -0.717 0.000 2.160 1470 E HA -0.206 4.144 4.350 -0.000 0.000 0.195 1470 E C 0.978 177.318 176.600 -0.433 0.000 0.991 1470 E CA 1.430 57.270 56.400 -0.933 0.000 0.810 1470 E CB -0.000 29.360 29.700 -0.566 0.000 0.742 1470 E HN 0.656 nan 8.360 nan 0.000 0.466 1471 D N 0.178 120.428 120.400 -0.250 0.000 2.178 1471 D HA -0.137 4.503 4.640 -0.000 0.000 0.202 1471 D C 1.901 178.175 176.300 -0.043 0.000 0.974 1471 D CA 0.816 54.730 54.000 -0.144 0.000 0.841 1471 D CB -0.079 40.668 40.800 -0.088 0.000 0.953 1471 D HN 0.312 nan 8.370 nan 0.000 0.478 1472 Q N -0.649 119.152 119.800 0.002 0.000 2.079 1472 Q HA -0.177 4.163 4.340 -0.000 0.000 0.200 1472 Q C 1.982 178.096 176.000 0.191 0.000 0.974 1472 Q CA 0.910 56.801 55.803 0.145 0.000 0.840 1472 Q CB -0.175 28.644 28.738 0.135 0.000 0.898 1472 Q HN 0.322 nan 8.270 nan 0.000 0.430 1473 Y N 1.145 121.409 120.300 -0.061 0.000 2.128 1473 Y HA -0.261 4.289 4.550 -0.000 0.000 0.284 1473 Y C 1.850 177.768 175.900 0.031 0.000 1.154 1473 Y CA 1.513 59.633 58.100 0.033 0.000 1.149 1473 Y CB -0.167 38.241 38.460 -0.086 0.000 0.976 1473 Y HN 0.056 nan 8.280 nan 0.000 0.505 1474 I N -1.312 119.109 120.570 -0.248 0.000 2.226 1474 I HA -0.313 3.857 4.170 -0.000 0.000 0.245 1474 I C 2.222 178.308 176.117 -0.051 0.000 1.100 1474 I CA 1.519 62.536 61.300 -0.471 0.000 1.374 1474 I CB -0.560 37.055 38.000 -0.641 0.000 1.057 1474 I HN 0.214 nan 8.210 nan 0.000 0.413 1475 F N 1.671 121.564 119.950 -0.095 0.000 2.216 1475 F HA -0.186 4.341 4.527 -0.000 0.000 0.300 1475 F C 2.190 177.998 175.800 0.014 0.000 1.085 1475 F CA 1.491 59.463 58.000 -0.046 0.000 1.326 1475 F CB -0.185 38.767 39.000 -0.079 0.000 1.027 1475 F HN -0.081 nan 8.300 nan 0.000 0.497 1476 I N -0.457 120.126 120.570 0.023 0.000 2.226 1476 I HA -0.321 3.848 4.170 -0.000 0.000 0.245 1476 I C 2.248 178.276 176.117 -0.148 0.000 1.100 1476 I CA 1.438 62.692 61.300 -0.077 0.000 1.374 1476 I CB -0.655 37.352 38.000 0.011 0.000 1.057 1476 I HN 0.125 nan 8.210 nan 0.000 0.413 1477 H N 0.639 119.634 119.070 -0.125 0.000 2.293 1477 H HA -0.169 4.387 4.556 -0.000 0.000 0.300 1477 H C 1.941 177.227 175.328 -0.070 0.000 1.082 1477 H CA 1.714 57.744 56.048 -0.031 0.000 1.308 1477 H CB -0.385 29.478 29.762 0.168 0.000 1.375 1477 H HN 0.232 nan 8.280 nan 0.000 0.495 1478 D N 0.258 120.669 120.400 0.018 0.000 2.106 1478 D HA -0.182 4.457 4.640 -0.000 0.000 0.191 1478 D C 2.298 178.486 176.300 -0.186 0.000 0.997 1478 D CA 1.497 55.452 54.000 -0.075 0.000 0.834 1478 D CB -0.634 40.113 40.800 -0.088 0.000 0.956 1478 D HN 0.432 nan 8.370 nan 0.000 0.448 1479 A N 0.413 122.989 122.820 -0.407 0.000 1.940 1479 A HA -0.141 4.178 4.320 -0.000 0.000 0.219 1479 A C 2.431 179.907 177.584 -0.181 0.000 1.176 1479 A CA 1.074 52.897 52.037 -0.357 0.000 0.631 1479 A CB -0.736 17.955 19.000 -0.516 0.000 0.814 1479 A HN 0.230 nan 8.150 nan 0.000 0.446 1480 L N -1.345 119.780 121.223 -0.164 0.000 2.072 1480 L HA -0.096 4.244 4.340 -0.000 0.000 0.205 1480 L C 2.509 179.328 176.870 -0.086 0.000 1.079 1480 L CA 0.849 55.613 54.840 -0.126 0.000 0.752 1480 L CB -0.449 41.521 42.059 -0.148 0.000 0.906 1480 L HN 0.450 nan 8.230 nan 0.000 0.436 1481 L N 0.483 121.672 121.223 -0.056 0.000 2.042 1481 L HA -0.247 4.093 4.340 -0.000 0.000 0.210 1481 L C 2.461 179.311 176.870 -0.034 0.000 1.076 1481 L CA 1.949 56.774 54.840 -0.025 0.000 0.749 1481 L CB -0.540 41.526 42.059 0.012 0.000 0.893 1481 L HN 0.299 nan 8.230 nan 0.000 0.432 1482 E N -0.593 119.580 120.200 -0.044 0.000 2.085 1482 E HA -0.254 4.096 4.350 -0.000 0.000 0.194 1482 E C 2.073 178.647 176.600 -0.045 0.000 0.994 1482 E CA 1.364 57.741 56.400 -0.038 0.000 0.801 1482 E CB -0.246 29.432 29.700 -0.036 0.000 0.743 1482 E HN 0.601 nan 8.360 nan 0.000 0.453 1483 A N 0.788 123.571 122.820 -0.061 0.000 1.933 1483 A HA -0.143 4.177 4.320 -0.000 0.000 0.218 1483 A C 2.456 180.004 177.584 -0.059 0.000 1.175 1483 A CA 1.746 53.744 52.037 -0.066 0.000 0.628 1483 A CB -0.937 18.010 19.000 -0.088 0.000 0.814 1483 A HN 0.363 nan 8.150 nan 0.000 0.444 1484 V N -1.543 118.338 119.914 -0.056 0.000 2.307 1484 V HA -0.107 4.013 4.120 -0.000 0.000 0.245 1484 V C 1.959 178.031 176.094 -0.036 0.000 1.045 1484 V CA 2.142 64.413 62.300 -0.048 0.000 1.024 1484 V CB -2.118 29.678 31.823 -0.046 0.000 0.651 1484 V HN 0.698 nan 8.190 nan 0.000 0.449 1485 T N -1.897 112.639 114.554 -0.030 0.000 4.210 1485 T HA 0.346 4.696 4.350 -0.000 0.000 0.229 1485 T C 0.061 174.746 174.700 -0.025 0.000 0.813 1485 T CA 0.110 62.196 62.100 -0.024 0.000 0.888 1485 T CB -1.848 67.010 68.868 -0.017 0.000 1.327 1485 T HN 0.636 nan 8.240 nan 0.000 0.739 1486 C N 0.000 119.282 119.300 -0.029 0.000 2.653 1486 C HA 0.000 4.460 4.460 -0.000 0.000 0.325 1486 C CA 0.000 59.001 59.018 -0.028 0.000 1.963 1486 C CB 0.000 27.720 27.740 -0.033 0.000 2.134 1486 C HN 0.000 nan 8.230 nan 0.000 0.568