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_B 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 0.000 174.381 174.600 -0.364 0.000 1.055 1204 S CA 0.000 58.123 58.200 -0.128 0.000 1.107 1204 S CB 0.000 63.138 63.200 -0.104 0.000 0.593 1205 H N 2.551 121.582 119.070 -0.065 0.000 2.448 1205 H HA 0.450 5.007 4.556 0.000 0.000 0.237 1205 H C -2.605 172.722 175.328 -0.002 0.000 1.391 1205 H CA -1.006 54.980 56.048 -0.102 0.000 1.477 1205 H CB 0.882 30.459 29.762 -0.308 0.000 1.520 1205 H HN 0.287 nan 8.280 nan 0.000 0.502 1206 P HA 0.173 nan 4.420 nan 0.000 0.274 1206 P C -2.538 174.779 177.300 0.028 0.000 1.246 1206 P CA -1.528 61.594 63.100 0.036 0.000 0.795 1206 P CB 0.613 32.309 31.700 -0.007 0.000 1.006 1207 P HA 0.137 nan 4.420 nan 0.000 0.269 1207 P C -0.412 176.853 177.300 -0.058 0.000 1.215 1207 P CA 0.249 63.356 63.100 0.011 0.000 0.780 1207 P CB 0.201 31.917 31.700 0.028 0.000 0.898 1208 I N 2.802 123.315 120.570 -0.095 0.000 2.330 1208 I HA 0.286 4.456 4.170 0.000 0.000 0.289 1208 I C -2.304 173.759 176.117 -0.089 0.000 1.001 1208 I CA -3.346 57.863 61.300 -0.151 0.000 1.193 1208 I CB 0.772 38.606 38.000 -0.277 0.000 1.345 1208 I HN 0.098 nan 8.210 nan 0.000 0.461 1209 P HA 0.150 nan 4.420 nan 0.000 0.268 1209 P C 1.451 178.724 177.300 -0.045 0.000 1.205 1209 P CA -0.152 62.918 63.100 -0.049 0.000 0.771 1209 P CB 0.671 32.347 31.700 -0.040 0.000 0.858 1210 I N 0.367 120.912 120.570 -0.043 0.000 2.423 1210 I HA -0.189 3.981 4.170 0.000 0.000 0.254 1210 I C 1.389 177.492 176.117 -0.024 0.000 1.151 1210 I CA 1.498 62.776 61.300 -0.037 0.000 1.421 1210 I CB -0.661 37.313 38.000 -0.044 0.000 1.079 1210 I HN 0.231 nan 8.210 nan 0.000 0.431 1211 L N 0.658 121.868 121.223 -0.023 0.000 2.376 1211 L HA -0.020 4.320 4.340 0.000 0.000 0.219 1211 L C 2.107 178.972 176.870 -0.007 0.000 1.133 1211 L CA 1.063 55.894 54.840 -0.015 0.000 0.816 1211 L CB -0.274 41.775 42.059 -0.016 0.000 0.933 1211 L HN 0.304 nan 8.230 nan 0.000 0.449 1212 E N -0.764 119.431 120.200 -0.008 0.000 2.474 1212 E HA -0.071 4.279 4.350 0.000 0.000 0.195 1212 E C 1.717 178.338 176.600 0.035 0.000 1.039 1212 E CA -0.147 56.255 56.400 0.004 0.000 0.881 1212 E CB 0.384 30.076 29.700 -0.013 0.000 0.970 1212 E HN 0.207 nan 8.360 nan 0.000 0.486 1213 L N 1.331 122.572 121.223 0.031 0.000 2.017 1213 L HA -0.138 4.202 4.340 0.000 0.000 0.208 1213 L C 2.206 179.137 176.870 0.101 0.000 1.073 1213 L CA 2.046 56.931 54.840 0.075 0.000 0.745 1213 L CB -0.632 41.450 42.059 0.040 0.000 0.894 1213 L HN 0.066 nan 8.230 nan 0.000 0.432 1214 A N -0.769 122.084 122.820 0.055 0.000 1.883 1214 A HA -0.241 4.079 4.320 0.000 0.000 0.217 1214 A C 2.019 179.627 177.584 0.039 0.000 1.186 1214 A CA 2.058 54.120 52.037 0.043 0.000 0.624 1214 A CB -0.880 18.134 19.000 0.024 0.000 0.822 1214 A HN 0.553 nan 8.150 nan 0.000 0.444 1215 D N -1.761 118.663 120.400 0.041 0.000 2.183 1215 D HA -0.102 4.538 4.640 0.000 0.000 0.203 1215 D C 1.716 178.037 176.300 0.035 0.000 0.969 1215 D CA 1.560 55.577 54.000 0.028 0.000 0.842 1215 D CB -0.519 40.297 40.800 0.025 0.000 0.957 1215 D HN 0.705 nan 8.370 nan 0.000 0.484 1216 H N 1.010 120.059 119.070 -0.035 0.000 2.319 1216 H HA -0.067 4.489 4.556 0.000 0.000 0.299 1216 H C 2.096 177.357 175.328 -0.113 0.000 1.092 1216 H CA 1.503 57.517 56.048 -0.057 0.000 1.302 1216 H CB -0.420 29.327 29.762 -0.025 0.000 1.373 1216 H HN 0.082 nan 8.280 nan 0.000 0.497 1217 I N 0.136 120.607 120.570 -0.164 0.000 2.202 1217 I HA -0.221 3.949 4.170 0.000 0.000 0.242 1217 I C 2.595 178.602 176.117 -0.184 0.000 1.091 1217 I CA 1.641 62.798 61.300 -0.238 0.000 1.368 1217 I CB -0.461 37.548 38.000 0.015 0.000 1.058 1217 I HN 0.447 nan 8.210 nan 0.000 0.410 1218 E N 1.243 121.395 120.200 -0.081 0.000 2.086 1218 E HA -0.320 4.030 4.350 0.000 0.000 0.200 1218 E C 2.337 178.882 176.600 -0.092 0.000 1.012 1218 E CA 1.677 58.046 56.400 -0.052 0.000 0.812 1218 E CB -0.000 29.686 29.700 -0.023 0.000 0.743 1218 E HN 0.270 nan 8.360 nan 0.000 0.453 1219 R N -0.127 120.291 120.500 -0.136 0.000 2.081 1219 R HA -0.080 4.260 4.340 0.000 0.000 0.235 1219 R C 2.488 178.655 176.300 -0.221 0.000 1.131 1219 R CA 1.274 57.286 56.100 -0.148 0.000 0.960 1219 R CB -0.128 30.091 30.300 -0.135 0.000 0.856 1219 R HN 0.256 nan 8.270 nan 0.000 0.436 1220 L N 0.039 121.006 121.223 -0.426 0.000 2.156 1220 L HA -0.134 4.206 4.340 0.000 0.000 0.208 1220 L C 2.000 178.725 176.870 -0.242 0.000 1.095 1220 L CA 1.286 55.761 54.840 -0.608 0.000 0.770 1220 L CB -0.220 40.889 42.059 -1.583 0.000 0.914 1220 L HN 0.134 nan 8.230 nan 0.000 0.439 1221 K N 0.349 120.700 120.400 -0.082 0.000 2.296 1221 K HA 0.114 4.434 4.320 0.000 0.000 0.200 1221 K C 0.975 177.610 176.600 0.059 0.000 1.048 1221 K CA 0.166 56.530 56.287 0.127 0.000 0.966 1221 K CB 0.040 32.619 32.500 0.130 0.000 0.754 1221 K HN 0.194 nan 8.250 nan 0.000 0.466 1222 A N 2.042 124.864 122.820 0.003 0.000 2.561 1222 A HA -0.016 4.304 4.320 0.000 0.000 0.234 1222 A C -0.211 177.384 177.584 0.019 0.000 1.055 1222 A CA 0.217 52.256 52.037 0.004 0.000 0.756 1222 A CB -0.427 18.563 19.000 -0.016 0.000 0.986 1222 A HN 0.640 nan 8.150 nan 0.000 0.505 1223 N N 0.155 118.867 118.700 0.019 0.000 2.746 1223 N HA -0.177 4.563 4.740 0.000 0.000 0.250 1223 N C -0.316 175.214 175.510 0.032 0.000 1.055 1223 N CA 1.118 54.181 53.050 0.021 0.000 0.699 1223 N CB -1.076 37.421 38.487 0.017 0.000 0.919 1223 N HN 0.999 nan 8.380 nan 0.000 0.548 1224 D N 0.222 120.643 120.400 0.035 0.000 2.697 1224 D HA -0.237 4.403 4.640 0.000 0.000 0.238 1224 D C -0.500 175.836 176.300 0.060 0.000 1.152 1224 D CA 1.812 55.836 54.000 0.039 0.000 0.666 1224 D CB -1.528 39.289 40.800 0.028 0.000 1.037 1224 D HN 0.778 nan 8.370 nan 0.000 0.423 1225 N N -1.876 116.879 118.700 0.092 0.000 2.747 1225 N HA -0.292 4.449 4.740 0.000 0.000 0.249 1225 N C 0.998 176.597 175.510 0.149 0.000 1.107 1225 N CA 0.441 53.591 53.050 0.167 0.000 0.707 1225 N CB -0.815 37.761 38.487 0.147 0.000 1.054 1225 N HN 0.301 nan 8.380 nan 0.000 0.555 1226 L N 0.786 122.062 121.223 0.089 0.000 1.989 1226 L HA -0.116 4.224 4.340 0.000 0.000 0.211 1226 L C 1.896 178.816 176.870 0.084 0.000 1.071 1226 L CA 1.991 56.875 54.840 0.072 0.000 0.749 1226 L CB -0.371 41.713 42.059 0.041 0.000 0.890 1226 L HN 0.189 nan 8.230 nan 0.000 0.431 1227 K N -1.682 118.748 120.400 0.050 0.000 2.167 1227 K HA -0.101 4.220 4.320 0.000 0.000 0.203 1227 K C 2.144 178.791 176.600 0.078 0.000 1.052 1227 K CA 1.107 57.409 56.287 0.025 0.000 0.956 1227 K CB -0.282 32.183 32.500 -0.059 0.000 0.735 1227 K HN 0.240 nan 8.250 nan 0.000 0.451 1228 F N 1.505 121.473 119.950 0.030 0.000 2.065 1228 F HA -0.338 4.189 4.527 0.000 0.000 0.298 1228 F C 2.597 178.484 175.800 0.144 0.000 1.112 1228 F CA 1.187 59.232 58.000 0.074 0.000 1.212 1228 F CB -0.037 38.971 39.000 0.015 0.000 0.975 1228 F HN -0.013 nan 8.300 nan 0.000 0.476 1229 S N -0.655 115.241 115.700 0.327 0.000 2.382 1229 S HA -0.248 4.222 4.470 0.000 0.000 0.228 1229 S C 1.777 176.513 174.600 0.226 0.000 1.027 1229 S CA 1.317 59.662 58.200 0.242 0.000 0.991 1229 S CB -0.302 62.992 63.200 0.156 0.000 0.823 1229 S HN 0.452 nan 8.310 nan 0.000 0.469 1230 Q N 0.363 120.273 119.800 0.184 0.000 2.079 1230 Q HA -0.123 4.218 4.340 0.000 0.000 0.200 1230 Q C 2.288 178.395 176.000 0.178 0.000 0.974 1230 Q CA 1.291 57.183 55.803 0.147 0.000 0.840 1230 Q CB -0.126 28.676 28.738 0.107 0.000 0.898 1230 Q HN 0.611 nan 8.270 nan 0.000 0.430 1231 E N -0.021 120.318 120.200 0.232 0.000 2.031 1231 E HA -0.246 4.104 4.350 0.000 0.000 0.193 1231 E C 1.839 178.597 176.600 0.263 0.000 0.994 1231 E CA 1.054 57.625 56.400 0.286 0.000 0.800 1231 E CB -0.200 29.719 29.700 0.366 0.000 0.752 1231 E HN 0.347 nan 8.360 nan 0.000 0.447 1232 Y N 1.509 121.843 120.300 0.057 0.000 2.128 1232 Y HA -0.257 4.293 4.550 0.000 0.000 0.284 1232 Y C 2.175 178.019 175.900 -0.092 0.000 1.154 1232 Y CA 2.270 60.229 58.100 -0.235 0.000 1.149 1232 Y CB -0.316 38.001 38.460 -0.239 0.000 0.976 1232 Y HN 0.136 nan 8.280 nan 0.000 0.505 1233 E N 0.168 120.358 120.200 -0.016 0.000 2.204 1233 E HA -0.170 4.180 4.350 0.000 0.000 0.195 1233 E C 2.160 178.714 176.600 -0.077 0.000 0.990 1233 E CA 1.444 57.797 56.400 -0.079 0.000 0.821 1233 E CB -0.511 29.215 29.700 0.044 0.000 0.750 1233 E HN 0.501 nan 8.360 nan 0.000 0.477 1234 S N -0.386 115.324 115.700 0.015 0.000 2.515 1234 S HA 0.000 4.470 4.470 0.000 0.000 0.231 1234 S C 0.917 175.538 174.600 0.035 0.000 0.987 1234 S CA -0.124 58.123 58.200 0.078 0.000 0.936 1234 S CB -0.596 62.715 63.200 0.185 0.000 0.766 1234 S HN 0.239 nan 8.310 nan 0.000 0.528 1235 I N 2.906 123.400 120.570 -0.127 0.000 2.668 1235 I HA 0.160 4.330 4.170 0.000 0.000 0.285 1235 I C -0.091 175.918 176.117 -0.180 0.000 1.168 1235 I CA 0.442 61.565 61.300 -0.295 0.000 1.424 1235 I CB 0.186 37.910 38.000 -0.460 0.000 1.377 1235 I HN 0.220 nan 8.210 nan 0.000 0.560 1236 D N 8.971 129.292 120.400 -0.132 0.000 2.548 1236 D HA 0.176 4.816 4.640 0.000 0.000 0.214 1236 D C -1.924 174.363 176.300 -0.022 0.000 1.345 1236 D CA -1.117 52.856 54.000 -0.044 0.000 0.945 1236 D CB 2.051 42.847 40.800 -0.006 0.000 1.499 1236 D HN 0.190 nan 8.370 nan 0.000 0.579 1237 P HA 0.124 nan 4.420 nan 0.000 0.230 1237 P C 0.903 178.205 177.300 0.003 0.000 1.158 1237 P CA 0.714 63.839 63.100 0.042 0.000 0.769 1237 P CB 0.154 31.955 31.700 0.169 0.000 0.807 1238 G N 0.802 109.590 108.800 -0.019 0.000 2.305 1238 G HA2 -0.228 3.732 3.960 0.000 0.000 0.287 1238 G HA3 -0.228 3.732 3.960 0.000 0.000 0.287 1238 G C -0.111 174.702 174.900 -0.145 0.000 1.036 1238 G CA 0.466 45.530 45.100 -0.060 0.000 0.887 1238 G HN 0.623 nan 8.290 nan 0.000 0.505 1239 Q N -2.156 117.479 119.800 -0.276 0.000 2.544 1239 Q HA 0.772 5.112 4.340 0.000 0.000 0.291 1239 Q C -0.862 174.614 176.000 -0.873 0.000 1.068 1239 Q CA -1.281 54.212 55.803 -0.517 0.000 0.785 1239 Q CB 1.289 29.705 28.738 -0.536 0.000 1.481 1239 Q HN 0.120 nan 8.270 nan 0.000 0.430 1240 Q N 0.338 119.650 119.800 -0.812 0.000 2.274 1240 Q HA 0.619 4.959 4.340 0.000 0.000 0.260 1240 Q C -1.854 173.635 176.000 -0.852 0.000 0.974 1240 Q CA -0.200 55.207 55.803 -0.660 0.000 0.876 1240 Q CB 1.307 29.860 28.738 -0.308 0.000 1.297 1240 Q HN 0.505 nan 8.270 nan 0.000 0.446 1241 F N -0.367 119.519 119.950 -0.106 0.000 2.618 1241 F HA 0.706 5.234 4.527 0.000 0.000 0.332 1241 F C 0.270 176.084 175.800 0.024 0.000 1.061 1241 F CA -0.747 57.178 58.000 -0.125 0.000 0.974 1241 F CB 2.018 40.722 39.000 -0.493 0.000 1.310 1241 F HN 0.512 nan 8.300 nan 0.000 0.491 1242 T N -2.572 112.164 114.554 0.304 0.000 2.916 1242 T HA 0.603 4.953 4.350 0.000 0.000 0.292 1242 T C -1.366 173.589 174.700 0.424 0.000 1.055 1242 T CA -0.648 61.482 62.100 0.051 0.000 1.009 1242 T CB 1.653 70.487 68.868 -0.057 0.000 1.118 1242 T HN 0.802 nan 8.240 nan 0.000 0.497 1243 W N 0.427 121.857 121.300 0.217 0.000 0.923 1243 W HA 0.561 5.221 4.660 0.000 0.000 0.297 1243 W C 0.390 176.986 176.519 0.128 0.000 0.847 1243 W CA -0.877 56.602 57.345 0.223 0.000 1.867 1243 W CB -0.573 29.027 29.460 0.232 0.000 1.493 1243 W HN 0.739 nan 8.180 nan 0.000 0.494 1244 E N 0.324 120.535 120.200 0.019 0.000 2.077 1244 E HA -0.228 4.123 4.350 0.000 0.000 0.193 1244 E C 1.708 178.248 176.600 -0.101 0.000 0.989 1244 E CA 1.768 58.098 56.400 -0.118 0.000 0.800 1244 E CB -0.133 29.440 29.700 -0.211 0.000 0.746 1244 E HN 0.483 nan 8.360 nan 0.000 0.452 1245 H N -0.211 118.896 119.070 0.062 0.000 2.389 1245 H HA 0.012 4.569 4.556 0.000 0.000 0.299 1245 H C 2.325 177.500 175.328 -0.255 0.000 1.081 1245 H CA 1.107 57.144 56.048 -0.019 0.000 1.345 1245 H CB 0.078 29.919 29.762 0.132 0.000 1.393 1245 H HN 0.066 nan 8.280 nan 0.000 0.520 1246 S N 0.778 116.508 115.700 0.051 0.000 2.419 1246 S HA -0.137 4.333 4.470 0.000 0.000 0.233 1246 S C 1.886 176.447 174.600 -0.066 0.000 1.016 1246 S CA 1.112 59.271 58.200 -0.068 0.000 0.974 1246 S CB -0.140 63.221 63.200 0.267 0.000 0.786 1246 S HN 0.418 nan 8.310 nan 0.000 0.492 1247 N N 0.566 119.286 118.700 0.033 0.000 2.353 1247 N HA 0.167 4.908 4.740 0.000 0.000 0.185 1247 N C -0.100 175.382 175.510 -0.046 0.000 1.098 1247 N CA -0.020 53.053 53.050 0.039 0.000 0.872 1247 N CB -0.131 38.420 38.487 0.106 0.000 0.970 1247 N HN 0.308 nan 8.380 nan 0.000 0.467 1248 L N 1.232 122.388 121.223 -0.113 0.000 2.490 1248 L HA -0.005 4.335 4.340 0.000 0.000 0.274 1248 L C 1.807 178.625 176.870 -0.087 0.000 1.201 1248 L CA 0.074 54.850 54.840 -0.107 0.000 0.869 1248 L CB 0.578 42.563 42.059 -0.123 0.000 1.123 1248 L HN 0.323 nan 8.230 nan 0.000 0.484 1249 E N 2.335 122.502 120.200 -0.055 0.000 2.114 1249 E HA -0.245 4.105 4.350 0.000 0.000 0.199 1249 E C 1.840 178.415 176.600 -0.042 0.000 1.008 1249 E CA 1.672 58.049 56.400 -0.039 0.000 0.810 1249 E CB 0.145 29.829 29.700 -0.026 0.000 0.739 1249 E HN 0.577 nan 8.360 nan 0.000 0.456 1250 V N 0.989 120.876 119.914 -0.044 0.000 2.809 1250 V HA -0.142 3.979 4.120 0.000 0.000 0.256 1250 V C 1.253 177.320 176.094 -0.045 0.000 1.080 1250 V CA 1.841 64.122 62.300 -0.031 0.000 1.102 1250 V CB -0.328 31.487 31.823 -0.013 0.000 0.705 1250 V HN 0.304 nan 8.190 nan 0.000 0.475 1251 N N -0.257 118.376 118.700 -0.113 0.000 2.388 1251 N HA 0.045 4.785 4.740 0.000 0.000 0.176 1251 N C 1.622 177.051 175.510 -0.135 0.000 1.062 1251 N CA 0.474 53.402 53.050 -0.204 0.000 0.895 1251 N CB -0.055 38.063 38.487 -0.614 0.000 1.018 1251 N HN 0.483 nan 8.380 nan 0.000 0.456 1252 K N 1.023 121.369 120.400 -0.090 0.000 2.059 1252 K HA -0.132 4.189 4.320 0.000 0.000 0.212 1252 K C -0.946 175.648 176.600 -0.009 0.000 1.050 1252 K CA 1.512 57.778 56.287 -0.035 0.000 0.927 1252 K CB -0.913 31.575 32.500 -0.020 0.000 0.714 1252 K HN 0.261 nan 8.250 nan 0.000 0.447 1253 P HA -0.093 nan 4.420 nan 0.000 0.242 1253 P C -0.081 177.219 177.300 -0.001 0.000 1.197 1253 P CA 1.102 64.192 63.100 -0.015 0.000 0.765 1253 P CB 0.053 31.740 31.700 -0.022 0.000 0.936 1254 K N -0.606 119.824 120.400 0.049 0.000 2.444 1254 K HA 0.096 4.417 4.320 0.000 0.000 0.193 1254 K C 0.222 176.897 176.600 0.125 0.000 1.024 1254 K CA 0.046 56.397 56.287 0.106 0.000 1.077 1254 K CB -0.027 32.617 32.500 0.241 0.000 0.833 1254 K HN 0.124 nan 8.250 nan 0.000 0.517 1255 N N 1.397 120.151 118.700 0.090 0.000 2.424 1255 N HA 0.091 4.831 4.740 0.000 0.000 0.271 1255 N C 0.346 175.846 175.510 -0.016 0.000 0.985 1255 N CA -0.112 52.986 53.050 0.080 0.000 0.921 1255 N CB 1.708 40.257 38.487 0.104 0.000 1.149 1255 N HN 0.035 nan 8.380 nan 0.000 0.492 1256 R N 2.214 122.678 120.500 -0.059 0.000 2.081 1256 R HA -0.067 4.274 4.340 0.000 0.000 0.235 1256 R C -0.362 175.666 176.300 -0.453 0.000 1.131 1256 R CA 1.475 57.425 56.100 -0.250 0.000 0.960 1256 R CB 0.126 30.277 30.300 -0.249 0.000 0.856 1256 R HN 0.491 nan 8.270 nan 0.000 0.436 1257 Y N -0.981 119.317 120.300 -0.003 0.000 2.328 1257 Y HA 0.389 4.940 4.550 0.000 0.000 0.336 1257 Y C 0.763 176.666 175.900 0.005 0.000 0.960 1257 Y CA -0.438 57.659 58.100 -0.005 0.000 1.134 1257 Y CB 1.943 40.395 38.460 -0.013 0.000 1.166 1257 Y HN 0.063 nan 8.280 nan 0.000 0.464 1258 A N 2.435 125.326 122.820 0.118 0.000 1.986 1258 A HA -0.254 4.066 4.320 0.000 0.000 0.220 1258 A C 1.755 179.392 177.584 0.088 0.000 1.171 1258 A CA 2.120 54.208 52.037 0.086 0.000 0.640 1258 A CB -0.470 18.566 19.000 0.061 0.000 0.811 1258 A HN 0.859 nan 8.150 nan 0.000 0.451 1259 N N -0.497 118.267 118.700 0.107 0.000 2.398 1259 N HA 0.051 4.791 4.740 0.000 0.000 0.188 1259 N C -0.243 175.341 175.510 0.124 0.000 1.122 1259 N CA 0.523 53.618 53.050 0.075 0.000 0.866 1259 N CB -0.079 38.427 38.487 0.031 0.000 0.970 1259 N HN 0.182 nan 8.380 nan 0.000 0.462 1260 V N 2.519 122.510 119.914 0.129 0.000 2.304 1260 V HA 0.365 4.485 4.120 0.000 0.000 0.278 1260 V C -0.086 176.015 176.094 0.012 0.000 1.018 1260 V CA -1.004 61.367 62.300 0.118 0.000 0.814 1260 V CB 0.412 32.312 31.823 0.128 0.000 1.021 1260 V HN 0.165 nan 8.190 nan 0.000 0.440 1261 I N 2.046 122.535 120.570 -0.135 0.000 3.217 1261 I HA 1.029 5.200 4.170 0.000 0.000 0.308 1261 I C 0.169 176.166 176.117 -0.201 0.000 1.091 1261 I CA -1.490 59.748 61.300 -0.103 0.000 1.013 1261 I CB 1.695 39.634 38.000 -0.102 0.000 1.250 1261 I HN 0.444 nan 8.210 nan 0.000 0.496 1262 A N 1.350 124.155 122.820 -0.026 0.000 2.273 1262 A HA 0.667 4.987 4.320 0.000 0.000 0.315 1262 A C -1.232 176.411 177.584 0.098 0.000 1.256 1262 A CA -0.431 51.562 52.037 -0.073 0.000 0.851 1262 A CB -0.240 18.753 19.000 -0.012 0.000 1.172 1262 A HN 0.496 nan 8.150 nan 0.000 0.508 1263 Y N 1.628 121.936 120.300 0.013 0.000 2.712 1263 Y HA -0.028 4.522 4.550 0.000 0.000 0.333 1263 Y C 1.343 177.339 175.900 0.160 0.000 1.225 1263 Y CA -0.039 58.145 58.100 0.141 0.000 1.499 1263 Y CB 0.310 38.782 38.460 0.021 0.000 1.288 1263 Y HN 0.753 nan 8.280 nan 0.000 0.575 1264 D N 0.677 121.364 120.400 0.478 0.000 2.144 1264 D HA -0.197 4.443 4.640 0.000 0.000 0.199 1264 D C 2.064 178.522 176.300 0.264 0.000 0.984 1264 D CA 1.737 55.948 54.000 0.351 0.000 0.834 1264 D CB -0.223 40.795 40.800 0.363 0.000 0.955 1264 D HN 0.795 nan 8.370 nan 0.000 0.465 1265 H N 0.234 119.446 119.070 0.236 0.000 2.457 1265 H HA 0.039 4.595 4.556 0.000 0.000 0.294 1265 H C 1.351 176.788 175.328 0.183 0.000 1.064 1265 H CA 1.607 57.766 56.048 0.184 0.000 1.330 1265 H CB -0.089 29.779 29.762 0.176 0.000 1.395 1265 H HN 0.134 nan 8.280 nan 0.000 0.541 1266 S N 0.452 115.911 115.700 -0.401 0.000 2.603 1266 S HA 0.126 4.596 4.470 0.000 0.000 0.232 1266 S C 0.932 175.511 174.600 -0.035 0.000 1.016 1266 S CA -0.812 57.255 58.200 -0.221 0.000 0.976 1266 S CB 0.243 63.201 63.200 -0.404 0.000 0.921 1266 S HN 0.548 nan 8.310 nan 0.000 0.516 1267 R N 1.089 121.566 120.500 -0.039 0.000 2.643 1267 R HA 0.427 4.767 4.340 0.000 0.000 0.270 1267 R C -0.729 175.474 176.300 -0.163 0.000 1.061 1267 R CA -0.499 55.541 56.100 -0.100 0.000 1.107 1267 R CB 0.193 30.472 30.300 -0.035 0.000 0.999 1267 R HN 0.037 nan 8.270 nan 0.000 0.460 1268 V N 4.380 124.063 119.914 -0.384 0.000 2.488 1268 V HA 0.144 4.264 4.120 0.000 0.000 0.277 1268 V C 0.262 176.224 176.094 -0.218 0.000 1.046 1268 V CA -0.391 61.624 62.300 -0.474 0.000 0.986 1268 V CB 0.727 32.170 31.823 -0.633 0.000 0.989 1268 V HN 0.519 nan 8.190 nan 0.000 0.475 1269 L N 6.091 127.266 121.223 -0.080 0.000 2.307 1269 L HA 0.506 4.846 4.340 0.000 0.000 0.282 1269 L C -0.075 176.777 176.870 -0.031 0.000 1.051 1269 L CA 0.041 54.849 54.840 -0.052 0.000 0.804 1269 L CB 1.268 43.322 42.059 -0.008 0.000 1.197 1269 L HN 0.435 nan 8.230 nan 0.000 0.431 1270 L N 1.580 122.785 121.223 -0.030 0.000 2.357 1270 L HA 0.433 4.773 4.340 0.000 0.000 0.273 1270 L C 0.579 177.466 176.870 0.027 0.000 1.080 1270 L CA -0.693 54.149 54.840 0.004 0.000 0.803 1270 L CB 1.399 43.462 42.059 0.006 0.000 1.174 1270 L HN 0.723 nan 8.230 nan 0.000 0.443 1271 S N 1.392 117.118 115.700 0.043 0.000 2.549 1271 S HA 0.376 4.846 4.470 0.000 0.000 0.286 1271 S C 0.243 174.870 174.600 0.045 0.000 1.314 1271 S CA -0.851 57.377 58.200 0.046 0.000 1.062 1271 S CB 0.995 64.229 63.200 0.056 0.000 0.865 1271 S HN 0.704 nan 8.310 nan 0.000 0.498 1272 A N 3.532 126.378 122.820 0.044 0.000 2.483 1272 A HA 0.460 4.781 4.320 0.000 0.000 0.238 1272 A C 0.233 177.843 177.584 0.043 0.000 1.070 1272 A CA -0.416 51.649 52.037 0.046 0.000 0.770 1272 A CB -0.298 18.730 19.000 0.046 0.000 1.008 1272 A HN 0.888 nan 8.150 nan 0.000 0.497 1273 I N 1.097 121.693 120.570 0.043 0.000 2.354 1273 I HA 0.195 4.365 4.170 0.000 0.000 0.292 1273 I C 0.236 176.373 176.117 0.033 0.000 0.989 1273 I CA -0.603 60.719 61.300 0.036 0.000 1.188 1273 I CB 1.665 39.686 38.000 0.036 0.000 1.342 1273 I HN 0.824 nan 8.210 nan 0.000 0.457 1274 E N 4.985 125.202 120.200 0.028 0.000 2.652 1274 E HA 0.081 4.432 4.350 0.000 0.000 0.255 1274 E C 1.109 177.723 176.600 0.024 0.000 0.952 1274 E CA 1.280 57.695 56.400 0.025 0.000 0.947 1274 E CB 0.240 29.953 29.700 0.021 0.000 0.912 1274 E HN 0.788 nan 8.360 nan 0.000 0.489 1275 G N 4.158 112.973 108.800 0.024 0.000 2.168 1275 G HA2 -0.256 3.704 3.960 0.000 0.000 0.263 1275 G HA3 -0.256 3.704 3.960 0.000 0.000 0.263 1275 G C 0.280 175.194 174.900 0.023 0.000 0.977 1275 G CA 0.351 45.464 45.100 0.021 0.000 0.659 1275 G HN 0.522 nan 8.290 nan 0.000 0.533 1276 I N 1.349 121.936 120.570 0.029 0.000 2.428 1276 I HA 0.253 4.423 4.170 0.000 0.000 0.279 1276 I C -2.253 173.888 176.117 0.040 0.000 1.040 1276 I CA -2.146 59.173 61.300 0.032 0.000 1.171 1276 I CB 1.531 39.552 38.000 0.035 0.000 1.312 1276 I HN -0.185 nan 8.210 nan 0.000 0.470 1277 P HA 0.008 nan 4.420 nan 0.000 0.263 1277 P C 1.054 178.385 177.300 0.052 0.000 1.175 1277 P CA 0.875 63.999 63.100 0.040 0.000 0.761 1277 P CB 0.564 32.279 31.700 0.025 0.000 0.794 1278 G N 2.471 111.316 108.800 0.075 0.000 2.162 1278 G HA2 -0.317 3.643 3.960 0.000 0.000 0.260 1278 G HA3 -0.317 3.643 3.960 0.000 0.000 0.260 1278 G C 1.079 176.055 174.900 0.127 0.000 0.976 1278 G CA 0.562 45.722 45.100 0.101 0.000 0.655 1278 G HN 0.631 nan 8.290 nan 0.000 0.533 1279 S N 0.481 116.240 115.700 0.097 0.000 2.555 1279 S HA 0.025 4.496 4.470 0.000 0.000 0.230 1279 S C 1.636 176.291 174.600 0.091 0.000 0.978 1279 S CA 1.411 59.664 58.200 0.089 0.000 0.934 1279 S CB -0.075 63.164 63.200 0.065 0.000 0.766 1279 S HN 0.751 nan 8.310 nan 0.000 0.533 1280 D N -0.261 120.200 120.400 0.101 0.000 2.349 1280 D HA -0.029 4.611 4.640 0.000 0.000 0.224 1280 D C 0.130 176.479 176.300 0.081 0.000 1.029 1280 D CA -0.278 53.765 54.000 0.071 0.000 0.879 1280 D CB -0.548 40.278 40.800 0.043 0.000 0.906 1280 D HN 0.576 nan 8.370 nan 0.000 0.528 1281 Y N 0.617 120.918 120.300 0.002 0.000 2.320 1281 Y HA 0.476 5.026 4.550 0.000 0.000 0.334 1281 Y C -0.936 174.959 175.900 -0.008 0.000 1.055 1281 Y CA -1.035 57.063 58.100 -0.002 0.000 1.143 1281 Y CB 1.360 39.845 38.460 0.042 0.000 1.193 1281 Y HN -0.139 nan 8.280 nan 0.000 0.477 1282 V N 6.947 126.386 119.914 -0.791 0.000 2.841 1282 V HA 0.377 4.498 4.120 0.000 0.000 0.310 1282 V C -1.155 174.303 176.094 -1.061 0.000 1.090 1282 V CA -0.971 60.877 62.300 -0.754 0.000 0.930 1282 V CB 1.995 33.611 31.823 -0.345 0.000 1.014 1282 V HN 0.878 nan 8.190 nan 0.000 0.425 1283 N N 4.517 122.813 118.700 -0.673 0.000 2.466 1283 N HA 0.575 5.315 4.740 0.000 0.000 0.263 1283 N C -0.529 174.829 175.510 -0.253 0.000 1.178 1283 N CA 0.759 53.596 53.050 -0.354 0.000 0.983 1283 N CB 0.515 38.966 38.487 -0.061 0.000 1.331 1283 N HN 1.060 nan 8.380 nan 0.000 0.500 1284 A N 3.092 125.740 122.820 -0.287 0.000 2.582 1284 A HA 0.559 4.879 4.320 0.000 0.000 0.297 1284 A C -1.339 176.077 177.584 -0.280 0.000 1.059 1284 A CA -0.912 50.974 52.037 -0.252 0.000 0.705 1284 A CB 0.939 19.771 19.000 -0.280 0.000 1.279 1284 A HN 0.608 nan 8.150 nan 0.000 0.404 1285 N N -0.159 118.393 118.700 -0.246 0.000 2.229 1285 N HA 0.613 5.354 4.740 0.000 0.000 0.298 1285 N C -1.543 173.849 175.510 -0.197 0.000 1.114 1285 N CA -0.487 52.421 53.050 -0.236 0.000 0.776 1285 N CB 1.063 39.455 38.487 -0.159 0.000 1.501 1285 N HN 0.553 nan 8.380 nan 0.000 0.474 1286 Y N 1.054 121.330 120.300 -0.041 0.000 2.425 1286 Y HA 0.268 4.818 4.550 0.000 0.000 0.331 1286 Y C 0.202 176.122 175.900 0.032 0.000 1.157 1286 Y CA 0.027 58.128 58.100 0.002 0.000 1.372 1286 Y CB 0.420 38.873 38.460 -0.010 0.000 1.253 1286 Y HN 0.209 nan 8.280 nan 0.000 0.536 1287 I N 3.383 124.119 120.570 0.276 0.000 2.498 1287 I HA 0.211 4.381 4.170 0.000 0.000 0.290 1287 I C -0.499 175.808 176.117 0.316 0.000 1.032 1287 I CA -1.172 60.276 61.300 0.246 0.000 1.073 1287 I CB 1.659 39.794 38.000 0.225 0.000 1.251 1287 I HN 0.515 nan 8.210 nan 0.000 0.426 1288 D N 3.569 124.112 120.400 0.238 0.000 2.362 1288 D HA 0.473 5.113 4.640 0.000 0.000 0.242 1288 D C 0.560 177.109 176.300 0.416 0.000 1.132 1288 D CA 0.218 54.358 54.000 0.232 0.000 0.907 1288 D CB 1.548 42.441 40.800 0.155 0.000 1.195 1288 D HN 0.750 nan 8.370 nan 0.000 0.429 1289 G N -0.573 108.428 108.800 0.335 0.000 2.828 1289 G HA2 0.276 4.236 3.960 0.000 0.000 0.244 1289 G HA3 0.276 4.236 3.960 0.000 0.000 0.244 1289 G C -1.168 173.920 174.900 0.313 0.000 1.365 1289 G CA -0.685 44.667 45.100 0.419 0.000 1.041 1289 G HN 0.469 nan 8.290 nan 0.000 0.560 1290 Y N 1.065 121.415 120.300 0.083 0.000 2.587 1290 Y HA 0.292 4.843 4.550 0.001 0.000 0.344 1290 Y C 1.322 177.222 175.900 -0.000 0.000 1.061 1290 Y CA -0.011 58.102 58.100 0.023 0.000 1.370 1290 Y CB 0.089 38.522 38.460 -0.046 0.000 1.163 1290 Y HN 0.634 nan 8.280 nan 0.000 0.527 1291 R N 3.005 123.236 120.500 -0.448 0.000 3.516 1291 R HA -0.254 4.087 4.340 0.000 0.000 0.271 1291 R C -1.044 175.136 176.300 -0.199 0.000 1.098 1291 R CA 1.125 56.989 56.100 -0.393 0.000 0.732 1291 R CB -1.428 28.494 30.300 -0.631 0.000 1.152 1291 R HN 0.624 nan 8.270 nan 0.000 0.455 1292 K N 0.471 120.812 120.400 -0.098 0.000 2.468 1292 K HA 0.297 4.617 4.320 0.000 0.000 0.252 1292 K C -0.852 175.725 176.600 -0.039 0.000 0.932 1292 K CA -0.921 55.319 56.287 -0.078 0.000 0.794 1292 K CB 1.952 34.399 32.500 -0.089 0.000 1.241 1292 K HN -0.134 nan 8.250 nan 0.000 0.428 1293 Q N 1.880 121.644 119.800 -0.060 0.000 2.257 1293 Q HA 0.291 4.631 4.340 0.000 0.000 0.255 1293 Q C -0.465 175.494 176.000 -0.067 0.000 0.920 1293 Q CA -0.321 55.453 55.803 -0.049 0.000 0.927 1293 Q CB 0.791 29.487 28.738 -0.070 0.000 1.229 1293 Q HN 0.471 nan 8.270 nan 0.000 0.433 1294 N N 1.037 119.721 118.700 -0.027 0.000 2.716 1294 N HA -0.271 4.469 4.740 0.000 0.000 0.250 1294 N C 0.107 175.609 175.510 -0.013 0.000 1.033 1294 N CA 0.912 53.952 53.050 -0.016 0.000 0.727 1294 N CB -0.956 37.369 38.487 -0.270 0.000 0.950 1294 N HN 0.744 nan 8.380 nan 0.000 0.541 1295 A N -1.387 121.388 122.820 -0.074 0.000 2.015 1295 A HA -0.021 4.299 4.320 0.000 0.000 0.219 1295 A C 0.425 177.752 177.584 -0.430 0.000 1.163 1295 A CA 1.151 52.991 52.037 -0.327 0.000 0.646 1295 A CB 0.015 18.679 19.000 -0.560 0.000 0.806 1295 A HN 0.415 nan 8.150 nan 0.000 0.448 1296 Y N -2.080 118.295 120.300 0.124 0.000 2.570 1296 Y HA 0.674 5.224 4.550 0.001 0.000 0.345 1296 Y C -0.286 175.687 175.900 0.121 0.000 1.014 1296 Y CA -1.159 57.014 58.100 0.121 0.000 1.063 1296 Y CB 1.364 39.907 38.460 0.139 0.000 1.272 1296 Y HN -0.077 nan 8.280 nan 0.000 0.477 1297 I N 2.206 122.912 120.570 0.227 0.000 2.355 1297 I HA 0.573 4.744 4.170 0.000 0.000 0.288 1297 I C -0.475 175.676 176.117 0.057 0.000 0.999 1297 I CA -0.791 60.546 61.300 0.062 0.000 1.163 1297 I CB 1.327 39.284 38.000 -0.071 0.000 1.316 1297 I HN 0.735 nan 8.210 nan 0.000 0.454 1298 A N 4.768 127.599 122.820 0.017 0.000 2.274 1298 A HA 0.730 5.051 4.320 0.000 0.000 0.309 1298 A C -0.168 177.390 177.584 -0.043 0.000 1.226 1298 A CA -0.224 51.813 52.037 -0.000 0.000 0.853 1298 A CB 1.017 20.009 19.000 -0.013 0.000 1.146 1298 A HN 0.634 nan 8.150 nan 0.000 0.518 1299 T N 1.139 115.693 114.554 -0.000 0.000 2.883 1299 T HA 0.476 4.826 4.350 0.000 0.000 0.301 1299 T C -0.374 174.337 174.700 0.018 0.000 1.158 1299 T CA -0.580 61.508 62.100 -0.020 0.000 1.007 1299 T CB 1.143 69.993 68.868 -0.029 0.000 1.186 1299 T HN 0.887 nan 8.240 nan 0.000 0.499 1300 Q N 1.382 121.170 119.800 -0.019 0.000 2.443 1300 Q HA 0.512 4.853 4.340 0.000 0.000 0.232 1300 Q C 0.579 176.521 176.000 -0.098 0.000 1.026 1300 Q CA -0.694 55.110 55.803 0.002 0.000 0.924 1300 Q CB 0.058 28.805 28.738 0.016 0.000 1.256 1300 Q HN 0.741 nan 8.270 nan 0.000 0.519 1301 G N 1.157 109.928 108.800 -0.048 0.000 2.365 1301 G HA2 0.230 4.190 3.960 0.000 0.000 0.249 1301 G HA3 0.230 4.190 3.960 0.000 0.000 0.249 1301 G C -0.006 174.745 174.900 -0.248 0.000 1.288 1301 G CA -0.134 44.845 45.100 -0.202 0.000 0.887 1301 G HN 0.697 nan 8.290 nan 0.000 0.524 1302 S N 1.934 117.354 115.700 -0.468 0.000 2.593 1302 S HA 0.502 4.972 4.470 0.000 0.000 0.269 1302 S C 0.219 174.786 174.600 -0.055 0.000 1.334 1302 S CA -0.623 57.406 58.200 -0.284 0.000 1.015 1302 S CB 1.007 63.933 63.200 -0.456 0.000 0.912 1302 S HN 0.449 nan 8.310 nan 0.000 0.541 1303 L N 1.358 122.504 121.223 -0.128 0.000 2.358 1303 L HA 0.420 4.761 4.340 0.000 0.000 0.268 1303 L C -1.621 174.821 176.870 -0.715 0.000 1.032 1303 L CA -2.585 52.106 54.840 -0.249 0.000 0.805 1303 L CB 1.084 43.024 42.059 -0.198 0.000 1.253 1303 L HN 0.405 nan 8.230 nan 0.000 0.452 1304 P HA -0.205 nan 4.420 nan 0.000 0.216 1304 P C 0.681 177.531 177.300 -0.750 0.000 1.154 1304 P CA 1.329 63.706 63.100 -1.206 0.000 0.865 1304 P CB 0.241 31.630 31.700 -0.519 0.000 0.789 1305 E N -1.818 118.146 120.200 -0.392 0.000 2.418 1305 E HA -0.061 4.289 4.350 0.000 0.000 0.197 1305 E C 1.472 178.001 176.600 -0.118 0.000 1.026 1305 E CA 1.370 57.654 56.400 -0.192 0.000 0.862 1305 E CB -0.837 28.792 29.700 -0.118 0.000 0.799 1305 E HN 0.382 nan 8.360 nan 0.000 0.518 1306 T N -2.723 111.740 114.554 -0.152 0.000 3.084 1306 T HA 0.142 4.492 4.350 0.000 0.000 0.270 1306 T C 1.078 175.847 174.700 0.115 0.000 1.008 1306 T CA -0.392 61.701 62.100 -0.012 0.000 0.900 1306 T CB -0.245 68.610 68.868 -0.022 0.000 1.084 1306 T HN -0.136 nan 8.240 nan 0.000 0.538 1307 F N 3.152 123.097 119.950 -0.008 0.000 2.087 1307 F HA 0.073 4.601 4.527 0.000 0.000 0.299 1307 F C 2.650 178.521 175.800 0.118 0.000 1.100 1307 F CA 1.132 59.117 58.000 -0.025 0.000 1.226 1307 F CB -1.392 37.587 39.000 -0.035 0.000 0.983 1307 F HN 0.410 nan 8.300 nan 0.000 0.479 1308 G N -0.325 108.714 108.800 0.399 0.000 2.421 1308 G HA2 -0.243 3.717 3.960 0.000 0.000 0.216 1308 G HA3 -0.243 3.717 3.960 0.000 0.000 0.216 1308 G C 1.431 176.482 174.900 0.252 0.000 1.171 1308 G CA 1.085 46.397 45.100 0.352 0.000 0.775 1308 G HN 0.252 nan 8.290 nan 0.000 0.543 1309 D N 0.085 120.587 120.400 0.170 0.000 2.116 1309 D HA -0.139 4.501 4.640 0.000 0.000 0.193 1309 D C 1.971 178.311 176.300 0.068 0.000 0.998 1309 D CA 0.751 54.810 54.000 0.098 0.000 0.836 1309 D CB -0.462 40.372 40.800 0.058 0.000 0.951 1309 D HN 0.311 nan 8.370 nan 0.000 0.449 1310 F N -0.181 119.701 119.950 -0.115 0.000 2.102 1310 F HA -0.164 4.363 4.527 0.001 0.000 0.298 1310 F C 2.080 177.706 175.800 -0.291 0.000 1.105 1310 F CA 1.515 59.325 58.000 -0.317 0.000 1.239 1310 F CB -0.521 38.141 39.000 -0.563 0.000 0.991 1310 F HN -0.018 nan 8.300 nan 0.000 0.474 1311 W N 0.354 121.670 121.300 0.026 0.000 2.402 1311 W HA -0.050 4.610 4.660 0.000 0.000 0.286 1311 W C 2.731 179.259 176.519 0.015 0.000 1.221 1311 W CA 1.023 58.358 57.345 -0.017 0.000 1.257 1311 W CB -0.415 29.111 29.460 0.109 0.000 1.120 1311 W HN -0.095 nan 8.180 nan 0.000 0.551 1312 R N 0.559 121.205 120.500 0.243 0.000 2.096 1312 R HA -0.192 4.149 4.340 0.000 0.000 0.235 1312 R C 2.203 178.580 176.300 0.127 0.000 1.127 1312 R CA 1.771 57.977 56.100 0.178 0.000 0.968 1312 R CB -0.533 29.837 30.300 0.118 0.000 0.861 1312 R HN 0.182 nan 8.270 nan 0.000 0.440 1313 M N 0.214 119.805 119.600 -0.014 0.000 2.086 1313 M HA -0.190 4.290 4.480 0.000 0.000 0.261 1313 M C 1.648 177.887 176.300 -0.102 0.000 1.067 1313 M CA 1.614 56.852 55.300 -0.103 0.000 1.116 1313 M CB -0.028 32.424 32.600 -0.246 0.000 1.348 1313 M HN 0.181 nan 8.290 nan 0.000 0.407 1314 I N -0.222 120.238 120.570 -0.182 0.000 2.163 1314 I HA -0.355 3.815 4.170 0.000 0.000 0.243 1314 I C 2.373 178.528 176.117 0.062 0.000 1.085 1314 I CA 1.635 62.866 61.300 -0.116 0.000 1.347 1314 I CB -1.832 36.108 38.000 -0.100 0.000 1.044 1314 I HN 0.686 nan 8.210 nan 0.000 0.408 1315 W N 2.397 123.708 121.300 0.020 0.000 2.353 1315 W HA -0.215 4.445 4.660 0.000 0.000 0.319 1315 W C 2.397 178.923 176.519 0.012 0.000 1.207 1315 W CA 1.675 59.042 57.345 0.037 0.000 1.291 1315 W CB -0.290 29.207 29.460 0.060 0.000 1.159 1315 W HN 0.252 nan 8.180 nan 0.000 0.478 1316 E N -0.380 119.979 120.200 0.265 0.000 2.204 1316 E HA -0.230 4.120 4.350 0.000 0.000 0.194 1316 E C 1.986 178.604 176.600 0.030 0.000 0.989 1316 E CA 0.932 57.426 56.400 0.156 0.000 0.824 1316 E CB -0.187 29.609 29.700 0.160 0.000 0.756 1316 E HN 0.264 nan 8.360 nan 0.000 0.477 1317 Q N 0.057 119.859 119.800 0.003 0.000 2.425 1317 Q HA 0.069 4.409 4.340 0.000 0.000 0.204 1317 Q C 0.101 176.071 176.000 -0.049 0.000 0.933 1317 Q CA 0.164 55.965 55.803 -0.003 0.000 0.939 1317 Q CB 0.336 29.078 28.738 0.006 0.000 1.044 1317 Q HN 0.208 nan 8.270 nan 0.000 0.513 1318 R N 0.150 120.581 120.500 -0.114 0.000 3.641 1318 R HA -0.103 4.238 4.340 0.000 0.000 0.286 1318 R C -0.483 175.753 176.300 -0.106 0.000 1.153 1318 R CA 0.454 56.454 56.100 -0.166 0.000 0.775 1318 R CB -2.484 27.724 30.300 -0.153 0.000 1.215 1318 R HN 0.029 nan 8.270 nan 0.000 0.474 1319 S N -0.370 115.286 115.700 -0.073 0.000 2.564 1319 S HA 0.381 4.851 4.470 0.000 0.000 0.278 1319 S C 1.305 175.898 174.600 -0.011 0.000 1.333 1319 S CA 0.002 58.180 58.200 -0.036 0.000 1.048 1319 S CB 1.671 64.847 63.200 -0.040 0.000 0.900 1319 S HN 0.478 nan 8.310 nan 0.000 0.505 1320 A N 2.360 125.190 122.820 0.018 0.000 2.229 1320 A HA 0.359 4.680 4.320 0.000 0.000 0.211 1320 A C 0.662 178.321 177.584 0.125 0.000 1.193 1320 A CA 0.166 52.236 52.037 0.055 0.000 0.879 1320 A CB 0.337 19.357 19.000 0.034 0.000 0.911 1320 A HN 0.637 nan 8.150 nan 0.000 0.492 1321 T N 0.015 114.645 114.554 0.127 0.000 2.886 1321 T HA 0.557 4.907 4.350 0.000 0.000 0.292 1321 T C -1.169 173.635 174.700 0.173 0.000 1.012 1321 T CA -0.318 61.905 62.100 0.204 0.000 0.982 1321 T CB 1.957 70.923 68.868 0.164 0.000 1.018 1321 T HN -0.030 nan 8.240 nan 0.000 0.451 1322 V N 3.171 123.231 119.914 0.244 0.000 2.487 1322 V HA 0.554 4.675 4.120 0.000 0.000 0.298 1322 V C -0.492 175.739 176.094 0.229 0.000 1.028 1322 V CA -0.774 61.657 62.300 0.218 0.000 0.860 1322 V CB 1.983 33.977 31.823 0.285 0.000 0.991 1322 V HN 0.730 nan 8.190 nan 0.000 0.427 1323 V N 5.929 125.888 119.914 0.075 0.000 2.357 1323 V HA 0.480 4.600 4.120 0.000 0.000 0.284 1323 V C -0.100 175.898 176.094 -0.160 0.000 1.018 1323 V CA -0.354 61.924 62.300 -0.037 0.000 0.841 1323 V CB 1.547 33.083 31.823 -0.479 0.000 0.991 1323 V HN 0.919 nan 8.190 nan 0.000 0.437 1324 M N 6.278 125.815 119.600 -0.106 0.000 2.101 1324 M HA 0.462 4.942 4.480 0.000 0.000 0.340 1324 M C -0.141 176.067 176.300 -0.154 0.000 1.057 1324 M CA -0.429 54.637 55.300 -0.391 0.000 0.984 1324 M CB 1.148 33.628 32.600 -0.199 0.000 1.560 1324 M HN 0.495 nan 8.290 nan 0.000 0.435 1325 M N 3.581 123.053 119.600 -0.213 0.000 2.637 1325 M HA 0.230 4.710 4.480 0.000 0.000 0.286 1325 M C -0.127 176.126 176.300 -0.078 0.000 1.246 1325 M CA 0.225 55.465 55.300 -0.101 0.000 0.978 1325 M CB -0.666 31.813 32.600 -0.202 0.000 1.417 1325 M HN 0.744 nan 8.290 nan 0.000 0.487 1326 T N -0.095 114.445 114.554 -0.023 0.000 2.853 1326 T HA 0.397 4.747 4.350 0.000 0.000 0.311 1326 T C -0.740 174.003 174.700 0.072 0.000 1.307 1326 T CA -0.652 61.459 62.100 0.018 0.000 1.019 1326 T CB 2.213 71.093 68.868 0.019 0.000 1.264 1326 T HN 0.170 nan 8.240 nan 0.000 0.497 1327 K N 2.118 122.563 120.400 0.076 0.000 2.107 1327 K HA 0.424 4.744 4.320 0.000 0.000 0.251 1327 K C 1.271 177.945 176.600 0.123 0.000 1.012 1327 K CA -0.546 55.799 56.287 0.097 0.000 0.920 1327 K CB 0.834 33.374 32.500 0.067 0.000 1.033 1327 K HN 0.440 nan 8.250 nan 0.000 0.478 1328 L N 0.701 122.009 121.223 0.141 0.000 2.093 1328 L HA -0.126 4.215 4.340 0.000 0.000 0.208 1328 L C 0.546 177.466 176.870 0.082 0.000 1.085 1328 L CA 1.462 56.377 54.840 0.124 0.000 0.755 1328 L CB -0.098 42.015 42.059 0.090 0.000 0.904 1328 L HN 0.564 nan 8.230 nan 0.000 0.435 1329 E N -0.289 119.951 120.200 0.067 0.000 2.248 1329 E HA 0.483 4.834 4.350 0.000 0.000 0.267 1329 E C -0.915 175.716 176.600 0.051 0.000 0.877 1329 E CA -0.347 56.084 56.400 0.051 0.000 0.759 1329 E CB 2.295 32.016 29.700 0.036 0.000 1.182 1329 E HN 0.105 nan 8.360 nan 0.000 0.418 1330 E N 1.099 121.329 120.200 0.051 0.000 2.383 1330 E HA 0.269 4.619 4.350 0.000 0.000 0.275 1330 E C -0.785 175.844 176.600 0.047 0.000 0.918 1330 E CA -0.965 55.466 56.400 0.052 0.000 0.764 1330 E CB 2.228 31.966 29.700 0.064 0.000 1.252 1330 E HN 0.355 nan 8.360 nan 0.000 0.449 1331 R N 1.562 122.089 120.500 0.044 0.000 3.211 1331 R HA -0.226 4.114 4.340 0.000 0.000 0.240 1331 R C -1.103 175.211 176.300 0.024 0.000 0.915 1331 R CA 0.868 56.987 56.100 0.032 0.000 0.621 1331 R CB -1.731 28.590 30.300 0.035 0.000 1.008 1331 R HN 0.684 nan 8.270 nan 0.000 0.471 1332 S N -0.525 115.189 115.700 0.022 0.000 3.310 1332 S HA -0.217 4.253 4.470 0.000 0.000 0.431 1332 S C -0.408 174.205 174.600 0.021 0.000 0.807 1332 S CA 1.481 59.692 58.200 0.018 0.000 1.358 1332 S CB -0.490 62.716 63.200 0.010 0.000 1.027 1332 S HN 0.689 nan 8.310 nan 0.000 0.666 1333 R N -0.353 120.163 120.500 0.026 0.000 3.964 1333 R HA 0.156 4.497 4.340 0.000 0.000 0.244 1333 R C -1.063 175.258 176.300 0.035 0.000 1.004 1333 R CA -0.860 55.258 56.100 0.029 0.000 1.148 1333 R CB 0.613 30.937 30.300 0.040 0.000 1.234 1333 R HN 0.220 nan 8.270 nan 0.000 0.567 1334 V N 4.368 124.298 119.914 0.027 0.000 2.540 1334 V HA -0.033 4.087 4.120 0.000 0.000 0.297 1334 V C 0.873 176.997 176.094 0.050 0.000 1.024 1334 V CA 0.623 62.941 62.300 0.031 0.000 1.105 1334 V CB 0.790 32.620 31.823 0.011 0.000 0.938 1334 V HN 0.639 nan 8.190 nan 0.000 0.482 1335 K N 2.535 122.978 120.400 0.071 0.000 2.308 1335 K HA 0.257 4.577 4.320 0.000 0.000 0.197 1335 K C 0.187 176.851 176.600 0.107 0.000 1.049 1335 K CA 0.522 56.867 56.287 0.097 0.000 0.991 1335 K CB 0.277 32.833 32.500 0.094 0.000 0.836 1335 K HN 0.677 nan 8.250 nan 0.000 0.500 1336 C N 1.346 120.712 119.300 0.109 0.000 3.171 1336 C HA 0.423 4.884 4.460 0.000 0.000 0.336 1336 C C -1.560 173.504 174.990 0.123 0.000 1.198 1336 C CA -0.937 58.161 59.018 0.134 0.000 1.319 1336 C CB 0.975 28.857 27.740 0.236 0.000 1.682 1336 C HN 0.371 nan 8.230 nan 0.000 0.497 1337 D N 2.022 122.511 120.400 0.148 0.000 2.225 1337 D HA 0.331 4.972 4.640 0.000 0.000 0.249 1337 D C -0.512 175.876 176.300 0.147 0.000 1.052 1337 D CA 0.043 54.149 54.000 0.177 0.000 0.909 1337 D CB 0.877 41.822 40.800 0.243 0.000 1.186 1337 D HN 0.651 nan 8.370 nan 0.000 0.431 1338 Q N 1.970 121.708 119.800 -0.103 0.000 2.324 1338 Q HA 0.042 4.382 4.340 0.000 0.000 0.257 1338 Q C -0.368 175.146 176.000 -0.811 0.000 1.080 1338 Q CA -0.241 55.146 55.803 -0.693 0.000 0.907 1338 Q CB 0.220 28.426 28.738 -0.886 0.000 1.274 1338 Q HN 0.712 nan 8.270 nan 0.000 0.434 1339 Y N 2.440 122.253 120.300 -0.811 0.000 2.466 1339 Y HA 0.226 4.776 4.550 0.000 0.000 0.272 1339 Y C -0.512 175.203 175.900 -0.307 0.000 1.169 1339 Y CA -1.142 56.205 58.100 -1.255 0.000 1.285 1339 Y CB -0.242 37.616 38.460 -1.002 0.000 1.078 1339 Y HN 0.460 nan 8.280 nan 0.000 0.523 1340 W N 0.879 121.963 121.300 -0.360 0.000 2.799 1340 W HA 0.786 5.446 4.660 0.000 0.000 0.349 1340 W C -3.134 173.407 176.519 0.037 0.000 1.100 1340 W CA -3.361 53.953 57.345 -0.051 0.000 1.174 1340 W CB 0.784 30.174 29.460 -0.116 0.000 1.427 1340 W HN -0.347 nan 8.180 nan 0.000 0.547 1341 P HA 0.091 nan 4.420 nan 0.000 0.281 1341 P C 0.301 177.762 177.300 0.267 0.000 1.252 1341 P CA 0.029 63.231 63.100 0.171 0.000 0.778 1341 P CB 1.885 33.698 31.700 0.189 0.000 0.895 1342 S N 2.538 118.285 115.700 0.078 0.000 2.423 1342 S HA -0.085 4.386 4.470 0.000 0.000 0.231 1342 S C 0.972 175.653 174.600 0.136 0.000 1.014 1342 S CA 0.758 59.033 58.200 0.125 0.000 0.965 1342 S CB -0.333 62.882 63.200 0.026 0.000 0.785 1342 S HN 0.624 nan 8.310 nan 0.000 0.495 1343 R N -1.091 119.473 120.500 0.107 0.000 2.604 1343 R HA 0.545 4.885 4.340 0.000 0.000 0.261 1343 R C 0.184 176.528 176.300 0.074 0.000 1.080 1343 R CA -0.381 55.767 56.100 0.080 0.000 0.917 1343 R CB 0.308 30.636 30.300 0.046 0.000 1.252 1343 R HN 0.136 nan 8.270 nan 0.000 0.456 1344 G N 1.323 110.164 108.800 0.069 0.000 2.539 1344 G HA2 -0.260 3.701 3.960 0.000 0.000 0.256 1344 G HA3 -0.260 3.701 3.960 0.000 0.000 0.256 1344 G C -0.786 174.156 174.900 0.070 0.000 1.233 1344 G CA 0.128 45.260 45.100 0.053 0.000 0.936 1344 G HN 0.808 nan 8.290 nan 0.000 0.571 1345 T N 0.751 115.325 114.554 0.033 0.000 2.885 1345 T HA 0.687 5.037 4.350 0.000 0.000 0.285 1345 T C -0.380 174.302 174.700 -0.030 0.000 1.019 1345 T CA -0.098 62.010 62.100 0.013 0.000 1.010 1345 T CB 2.126 70.989 68.868 -0.009 0.000 1.022 1345 T HN 0.712 nan 8.240 nan 0.000 0.466 1346 E N 0.580 120.735 120.200 -0.075 0.000 2.321 1346 E HA 0.446 4.796 4.350 0.000 0.000 0.278 1346 E C -1.343 175.089 176.600 -0.279 0.000 0.902 1346 E CA -0.606 55.690 56.400 -0.174 0.000 0.758 1346 E CB 1.647 31.255 29.700 -0.154 0.000 1.213 1346 E HN 0.510 nan 8.360 nan 0.000 0.426 1347 T N 2.979 117.339 114.554 -0.324 0.000 2.795 1347 T HA 0.379 4.729 4.350 0.000 0.000 0.282 1347 T C -0.904 173.547 174.700 -0.416 0.000 0.980 1347 T CA -0.608 61.324 62.100 -0.280 0.000 1.012 1347 T CB 0.499 69.281 68.868 -0.145 0.000 0.936 1347 T HN 0.286 nan 8.240 nan 0.000 0.457 1348 H N 1.947 121.019 119.070 0.003 0.000 2.860 1348 H HA 0.418 4.974 4.556 0.000 0.000 0.312 1348 H C 1.082 176.468 175.328 0.095 0.000 0.995 1348 H CA 0.197 56.316 56.048 0.119 0.000 1.311 1348 H CB 1.173 31.087 29.762 0.253 0.000 1.478 1348 H HN 0.949 nan 8.280 nan 0.000 0.508 1349 G N 3.058 111.960 108.800 0.171 0.000 2.646 1349 G HA2 -0.339 3.622 3.960 0.000 0.000 0.324 1349 G HA3 -0.339 3.622 3.960 0.000 0.000 0.324 1349 G C 0.782 175.697 174.900 0.025 0.000 1.195 1349 G CA 0.577 45.733 45.100 0.095 0.000 0.976 1349 G HN 0.497 nan 8.290 nan 0.000 0.546 1350 L N 0.840 122.059 121.223 -0.008 0.000 2.607 1350 L HA 0.390 4.730 4.340 0.000 0.000 0.228 1350 L C 0.991 177.777 176.870 -0.139 0.000 1.123 1350 L CA 0.462 55.255 54.840 -0.080 0.000 0.890 1350 L CB -0.551 41.441 42.059 -0.113 0.000 1.103 1350 L HN 0.239 nan 8.230 nan 0.000 0.468 1351 V N 0.840 120.703 119.914 -0.085 0.000 2.427 1351 V HA 0.315 4.435 4.120 0.000 0.000 0.286 1351 V C 0.182 176.217 176.094 -0.099 0.000 1.034 1351 V CA -0.514 61.715 62.300 -0.119 0.000 0.893 1351 V CB 2.290 34.100 31.823 -0.021 0.000 0.982 1351 V HN 0.261 nan 8.190 nan 0.000 0.452 1352 Q N 3.144 122.893 119.800 -0.085 0.000 2.314 1352 Q HA 0.607 4.948 4.340 0.000 0.000 0.259 1352 Q C -1.472 174.490 176.000 -0.063 0.000 0.951 1352 Q CA -0.420 55.346 55.803 -0.061 0.000 0.909 1352 Q CB 1.869 30.613 28.738 0.010 0.000 1.236 1352 Q HN 0.645 nan 8.270 nan 0.000 0.444 1353 V N 3.497 123.314 119.914 -0.160 0.000 2.409 1353 V HA 0.424 4.544 4.120 0.000 0.000 0.291 1353 V C -0.409 175.687 176.094 0.003 0.000 1.020 1353 V CA -0.613 61.553 62.300 -0.223 0.000 0.848 1353 V CB 1.770 33.197 31.823 -0.660 0.000 0.990 1353 V HN 0.770 nan 8.190 nan 0.000 0.430 1354 T N 5.913 120.559 114.554 0.153 0.000 2.792 1354 T HA 0.490 4.841 4.350 0.000 0.000 0.280 1354 T C -0.479 174.410 174.700 0.315 0.000 0.990 1354 T CA -0.343 61.879 62.100 0.204 0.000 0.960 1354 T CB 1.454 70.421 68.868 0.165 0.000 0.939 1354 T HN 0.477 nan 8.240 nan 0.000 0.439 1355 L N 4.867 126.262 121.223 0.287 0.000 2.361 1355 L HA 0.357 4.698 4.340 0.000 0.000 0.278 1355 L C 0.377 177.241 176.870 -0.010 0.000 1.113 1355 L CA 0.293 55.193 54.840 0.101 0.000 0.849 1355 L CB -0.061 42.078 42.059 0.134 0.000 1.155 1355 L HN 0.739 nan 8.230 nan 0.000 0.452 1356 L N 2.822 123.981 121.223 -0.107 0.000 2.425 1356 L HA 0.399 4.739 4.340 0.000 0.000 0.215 1356 L C -0.143 176.674 176.870 -0.088 0.000 1.065 1356 L CA 0.127 54.930 54.840 -0.061 0.000 0.842 1356 L CB 0.190 42.228 42.059 -0.035 0.000 1.033 1356 L HN 0.684 nan 8.230 nan 0.000 0.474 1357 D N -1.434 118.869 120.400 -0.161 0.000 2.886 1357 D HA 0.326 4.967 4.640 0.000 0.000 0.216 1357 D C -1.206 174.981 176.300 -0.187 0.000 1.256 1357 D CA -0.102 53.816 54.000 -0.137 0.000 0.844 1357 D CB 2.093 42.825 40.800 -0.113 0.000 1.669 1357 D HN -0.263 nan 8.370 nan 0.000 0.513 1358 T N 1.896 116.374 114.554 -0.127 0.000 2.879 1358 T HA 0.520 4.870 4.350 0.000 0.000 0.290 1358 T C -1.060 173.590 174.700 -0.083 0.000 0.993 1358 T CA -0.532 61.495 62.100 -0.121 0.000 0.975 1358 T CB 1.498 70.320 68.868 -0.077 0.000 0.981 1358 T HN 0.183 nan 8.240 nan 0.000 0.439 1359 V N 3.296 123.159 119.914 -0.084 0.000 2.378 1359 V HA 0.453 4.574 4.120 0.000 0.000 0.288 1359 V C -0.078 175.974 176.094 -0.070 0.000 1.016 1359 V CA -0.730 61.533 62.300 -0.062 0.000 0.840 1359 V CB 1.490 33.289 31.823 -0.041 0.000 0.994 1359 V HN 0.860 nan 8.190 nan 0.000 0.431 1360 E N 4.854 125.010 120.200 -0.074 0.000 2.133 1360 E HA 0.694 5.045 4.350 0.000 0.000 0.274 1360 E C -1.265 175.257 176.600 -0.130 0.000 0.930 1360 E CA -0.375 55.974 56.400 -0.084 0.000 0.770 1360 E CB 1.284 30.956 29.700 -0.047 0.000 1.104 1360 E HN 0.605 nan 8.360 nan 0.000 0.403 1361 L N 2.567 123.661 121.223 -0.215 0.000 2.256 1361 L HA 0.552 4.892 4.340 0.000 0.000 0.261 1361 L C 1.205 177.965 176.870 -0.182 0.000 1.022 1361 L CA -0.655 54.030 54.840 -0.259 0.000 0.828 1361 L CB 1.383 43.124 42.059 -0.531 0.000 1.374 1361 L HN 0.725 nan 8.230 nan 0.000 0.436 1362 A N -0.234 122.508 122.820 -0.130 0.000 1.908 1362 A HA -0.164 4.157 4.320 0.000 0.000 0.218 1362 A C 1.703 179.239 177.584 -0.080 0.000 1.181 1362 A CA 2.518 54.511 52.037 -0.074 0.000 0.627 1362 A CB -0.798 18.182 19.000 -0.033 0.000 0.818 1362 A HN 0.858 nan 8.150 nan 0.000 0.445 1363 T N -4.856 109.656 114.554 -0.070 0.000 3.040 1363 T HA 0.459 4.809 4.350 0.000 0.000 0.266 1363 T C 0.071 174.750 174.700 -0.035 0.000 1.005 1363 T CA 0.314 62.369 62.100 -0.076 0.000 0.906 1363 T CB -0.160 68.753 68.868 0.074 0.000 1.082 1363 T HN 0.846 nan 8.240 nan 0.000 0.531 1364 Y N -1.432 118.862 120.300 -0.010 0.000 2.677 1364 Y HA 0.737 5.287 4.550 0.000 0.000 0.334 1364 Y C -1.343 174.620 175.900 0.105 0.000 1.196 1364 Y CA -2.262 55.883 58.100 0.074 0.000 1.059 1364 Y CB 0.766 39.449 38.460 0.373 0.000 1.315 1364 Y HN 0.097 nan 8.280 nan 0.000 0.455 1365 C N 2.000 121.470 119.300 0.284 0.000 2.561 1365 C HA 0.922 5.382 4.460 0.000 0.000 0.319 1365 C C -1.084 174.026 174.990 0.200 0.000 1.198 1365 C CA -0.455 58.640 59.018 0.128 0.000 1.665 1365 C CB 1.094 28.858 27.740 0.039 0.000 2.258 1365 C HN 0.753 nan 8.230 nan 0.000 0.493 1366 V N 6.177 126.111 119.914 0.034 0.000 2.443 1366 V HA 0.564 4.684 4.120 0.000 0.000 0.293 1366 V C -0.297 175.635 176.094 -0.270 0.000 1.021 1366 V CA -0.484 61.707 62.300 -0.181 0.000 0.848 1366 V CB 1.403 33.101 31.823 -0.208 0.000 0.998 1366 V HN 0.866 nan 8.190 nan 0.000 0.424 1367 R N 2.365 122.644 120.500 -0.367 0.000 2.445 1367 R HA 0.706 5.046 4.340 0.000 0.000 0.308 1367 R C -0.670 175.283 176.300 -0.579 0.000 0.961 1367 R CA -0.576 55.228 56.100 -0.493 0.000 0.862 1367 R CB 2.106 32.039 30.300 -0.612 0.000 1.144 1367 R HN 0.640 nan 8.270 nan 0.000 0.447 1368 T N 3.586 117.796 114.554 -0.574 0.000 2.771 1368 T HA 0.495 4.845 4.350 0.000 0.000 0.281 1368 T C -0.726 173.672 174.700 -0.503 0.000 0.982 1368 T CA -0.332 61.536 62.100 -0.386 0.000 0.978 1368 T CB 0.441 69.194 68.868 -0.192 0.000 0.930 1368 T HN 0.233 nan 8.240 nan 0.000 0.447 1369 F N 1.191 121.168 119.950 0.045 0.000 2.546 1369 F HA 0.698 5.225 4.527 0.000 0.000 0.320 1369 F C 0.371 176.203 175.800 0.053 0.000 1.076 1369 F CA -1.289 56.749 58.000 0.063 0.000 0.928 1369 F CB 1.445 40.503 39.000 0.097 0.000 1.189 1369 F HN 0.587 nan 8.300 nan 0.000 0.465 1370 A N 2.926 125.898 122.820 0.253 0.000 2.290 1370 A HA 0.778 5.098 4.320 0.000 0.000 0.310 1370 A C -1.266 176.414 177.584 0.160 0.000 1.202 1370 A CA -0.466 51.669 52.037 0.163 0.000 0.837 1370 A CB 0.444 19.562 19.000 0.197 0.000 1.139 1370 A HN 0.627 nan 8.150 nan 0.000 0.509 1371 L N 2.457 123.725 121.223 0.075 0.000 2.322 1371 L HA 0.552 4.893 4.340 0.000 0.000 0.281 1371 L C -0.989 175.928 176.870 0.078 0.000 1.014 1371 L CA 0.063 54.992 54.840 0.148 0.000 0.815 1371 L CB 1.077 43.319 42.059 0.305 0.000 1.247 1371 L HN 0.648 nan 8.230 nan 0.000 0.421 1372 Y N 1.721 122.108 120.300 0.146 0.000 2.425 1372 Y HA 0.574 5.124 4.550 0.000 0.000 0.344 1372 Y C -0.147 175.599 175.900 -0.258 0.000 0.969 1372 Y CA -0.908 57.223 58.100 0.050 0.000 1.052 1372 Y CB 2.180 40.648 38.460 0.012 0.000 1.215 1372 Y HN 0.383 nan 8.280 nan 0.000 0.451 1373 K N 2.535 122.713 120.400 -0.371 0.000 2.182 1373 K HA 0.368 4.689 4.320 0.000 0.000 0.262 1373 K C -0.786 175.677 176.600 -0.228 0.000 0.957 1373 K CA -0.522 55.388 56.287 -0.628 0.000 0.842 1373 K CB 0.684 32.381 32.500 -1.338 0.000 1.099 1373 K HN 0.554 nan 8.250 nan 0.000 0.438 1374 N N 2.214 120.804 118.700 -0.184 0.000 2.475 1374 N HA 0.172 4.912 4.740 0.000 0.000 0.267 1374 N C 0.169 175.634 175.510 -0.074 0.000 1.169 1374 N CA 1.198 54.193 53.050 -0.092 0.000 0.947 1374 N CB 1.154 39.593 38.487 -0.080 0.000 1.061 1374 N HN 0.867 nan 8.380 nan 0.000 0.466 1375 G N 0.458 109.241 108.800 -0.029 0.000 2.171 1375 G HA2 -0.220 3.740 3.960 0.000 0.000 0.238 1375 G HA3 -0.220 3.740 3.960 0.000 0.000 0.238 1375 G C -0.063 174.848 174.900 0.017 0.000 1.039 1375 G CA 0.436 45.532 45.100 -0.007 0.000 0.759 1375 G HN 0.762 nan 8.290 nan 0.000 0.501 1376 S N -1.521 114.202 115.700 0.039 0.000 2.550 1376 S HA 0.742 5.212 4.470 0.000 0.000 0.270 1376 S C 1.013 175.696 174.600 0.139 0.000 1.145 1376 S CA 0.815 59.074 58.200 0.099 0.000 0.852 1376 S CB 1.377 64.662 63.200 0.141 0.000 1.119 1376 S HN 1.416 nan 8.310 nan 0.000 0.465 1377 S N 1.314 117.104 115.700 0.150 0.000 2.524 1377 S HA 0.302 4.772 4.470 0.000 0.000 0.215 1377 S C 0.171 174.880 174.600 0.181 0.000 0.986 1377 S CA -0.301 57.994 58.200 0.159 0.000 0.911 1377 S CB -0.329 62.937 63.200 0.110 0.000 0.805 1377 S HN 0.734 nan 8.310 nan 0.000 0.501 1378 E N 2.081 122.404 120.200 0.205 0.000 2.384 1378 E HA 0.151 4.501 4.350 0.000 0.000 0.266 1378 E C -0.407 176.240 176.600 0.079 0.000 1.012 1378 E CA 0.179 56.674 56.400 0.159 0.000 0.901 1378 E CB 0.536 30.362 29.700 0.209 0.000 0.967 1378 E HN 0.268 nan 8.360 nan 0.000 0.435 1379 K N 3.847 124.179 120.400 -0.114 0.000 2.307 1379 K HA 0.225 4.545 4.320 0.000 0.000 0.263 1379 K C -0.672 175.794 176.600 -0.225 0.000 0.973 1379 K CA -0.678 55.371 56.287 -0.397 0.000 0.846 1379 K CB 0.709 32.949 32.500 -0.434 0.000 1.100 1379 K HN 0.344 nan 8.250 nan 0.000 0.438 1380 R N 2.704 123.086 120.500 -0.197 0.000 2.540 1380 R HA 0.224 4.564 4.340 0.000 0.000 0.287 1380 R C -0.690 175.576 176.300 -0.057 0.000 0.980 1380 R CA -0.792 55.210 56.100 -0.162 0.000 0.966 1380 R CB 1.569 31.711 30.300 -0.263 0.000 1.106 1380 R HN 0.648 nan 8.270 nan 0.000 0.480 1381 E N 1.200 121.386 120.200 -0.024 0.000 2.166 1381 E HA 0.355 4.705 4.350 0.000 0.000 0.275 1381 E C -1.310 175.347 176.600 0.095 0.000 0.941 1381 E CA -0.610 55.817 56.400 0.044 0.000 0.784 1381 E CB 1.535 31.250 29.700 0.026 0.000 1.115 1381 E HN 0.212 nan 8.360 nan 0.000 0.399 1382 V N 5.055 125.084 119.914 0.191 0.000 2.588 1382 V HA 0.508 4.629 4.120 0.000 0.000 0.304 1382 V C -0.403 175.868 176.094 0.295 0.000 1.042 1382 V CA -0.793 61.665 62.300 0.264 0.000 0.877 1382 V CB 1.928 33.978 31.823 0.379 0.000 0.996 1382 V HN 0.661 nan 8.190 nan 0.000 0.425 1383 R N 2.873 123.504 120.500 0.220 0.000 2.445 1383 R HA 0.521 4.862 4.340 0.000 0.000 0.308 1383 R C -0.662 175.707 176.300 0.115 0.000 0.961 1383 R CA -0.572 55.573 56.100 0.074 0.000 0.862 1383 R CB 2.090 32.354 30.300 -0.061 0.000 1.144 1383 R HN 0.708 nan 8.270 nan 0.000 0.447 1384 Q N 3.820 123.625 119.800 0.008 0.000 2.325 1384 Q HA 0.274 4.614 4.340 0.000 0.000 0.262 1384 Q C -1.429 174.463 176.000 -0.179 0.000 0.968 1384 Q CA -0.471 55.381 55.803 0.082 0.000 0.877 1384 Q CB 0.895 29.759 28.738 0.210 0.000 1.253 1384 Q HN 0.489 nan 8.270 nan 0.000 0.448 1385 F N 2.935 122.961 119.950 0.126 0.000 2.347 1385 F HA 0.259 4.786 4.527 0.000 0.000 0.366 1385 F C 0.294 176.304 175.800 0.350 0.000 1.107 1385 F CA -0.580 57.559 58.000 0.233 0.000 1.058 1385 F CB 1.511 40.552 39.000 0.069 0.000 1.236 1385 F HN 0.419 nan 8.300 nan 0.000 0.456 1386 Q N 4.825 124.861 119.800 0.392 0.000 2.368 1386 Q HA 0.260 4.600 4.340 0.000 0.000 0.256 1386 Q C -1.261 174.863 176.000 0.206 0.000 0.980 1386 Q CA -0.788 55.148 55.803 0.222 0.000 0.887 1386 Q CB 0.858 29.624 28.738 0.047 0.000 1.221 1386 Q HN 0.594 nan 8.270 nan 0.000 0.458 1387 F N 3.575 123.375 119.950 -0.250 0.000 2.467 1387 F HA 0.136 4.663 4.527 0.000 0.000 0.362 1387 F C 0.912 176.646 175.800 -0.110 0.000 1.090 1387 F CA 0.417 58.122 58.000 -0.491 0.000 1.202 1387 F CB 1.217 39.678 39.000 -0.898 0.000 1.113 1387 F HN 0.587 nan 8.300 nan 0.000 0.541 1388 T N 1.586 115.844 114.554 -0.494 0.000 3.044 1388 T HA 0.343 4.693 4.350 0.000 0.000 0.260 1388 T C 0.988 175.449 174.700 -0.399 0.000 1.019 1388 T CA 0.388 62.313 62.100 -0.291 0.000 0.921 1388 T CB 0.176 68.966 68.868 -0.131 0.000 1.053 1388 T HN 0.553 nan 8.240 nan 0.000 0.533 1389 A N 0.340 122.613 122.820 -0.913 0.000 2.423 1389 A HA 0.330 4.650 4.320 0.000 0.000 0.246 1389 A C 0.323 177.802 177.584 -0.175 0.000 1.278 1389 A CA -0.760 50.931 52.037 -0.577 0.000 0.903 1389 A CB -0.447 18.193 19.000 -0.600 0.000 0.997 1389 A HN 0.674 nan 8.150 nan 0.000 0.510 1390 W N 2.240 123.457 121.300 -0.137 0.000 2.287 1390 W HA 0.366 5.026 4.660 0.001 0.000 0.313 1390 W C -2.790 173.704 176.519 -0.042 0.000 1.267 1390 W CA -2.292 55.086 57.345 0.055 0.000 1.201 1390 W CB 0.876 30.404 29.460 0.113 0.000 1.196 1390 W HN 0.099 nan 8.180 nan 0.000 0.536 1391 P HA -0.006 nan 4.420 nan 0.000 0.271 1391 P C 0.411 177.808 177.300 0.162 0.000 1.233 1391 P CA 0.226 63.347 63.100 0.034 0.000 0.789 1391 P CB 0.912 32.559 31.700 -0.088 0.000 0.951 1392 D N -1.594 118.873 120.400 0.112 0.000 2.310 1392 D HA -0.085 4.555 4.640 0.000 0.000 0.212 1392 D C 0.449 176.860 176.300 0.184 0.000 0.965 1392 D CA 1.575 55.652 54.000 0.127 0.000 0.879 1392 D CB -0.095 40.756 40.800 0.086 0.000 0.921 1392 D HN 0.448 nan 8.370 nan 0.000 0.510 1393 H N -1.299 117.799 119.070 0.046 0.000 2.996 1393 H HA 0.433 4.989 4.556 0.000 0.000 0.368 1393 H C 0.548 175.888 175.328 0.020 0.000 1.185 1393 H CA 0.276 56.344 56.048 0.034 0.000 1.160 1393 H CB 1.797 31.563 29.762 0.005 0.000 1.820 1393 H HN 0.183 nan 8.280 nan 0.000 0.547 1394 G N 1.557 110.089 108.800 -0.447 0.000 2.698 1394 G HA2 -0.205 3.756 3.960 0.000 0.000 0.233 1394 G HA3 -0.205 3.756 3.960 0.000 0.000 0.233 1394 G C -0.340 174.461 174.900 -0.164 0.000 1.352 1394 G CA -0.104 44.822 45.100 -0.290 0.000 0.879 1394 G HN 0.999 nan 8.290 nan 0.000 0.567 1395 V N -2.483 117.245 119.914 -0.310 0.000 2.966 1395 V HA 0.816 4.936 4.120 0.000 0.000 0.317 1395 V C -1.938 173.653 176.094 -0.837 0.000 1.070 1395 V CA -1.808 60.062 62.300 -0.716 0.000 1.008 1395 V CB 1.370 32.825 31.823 -0.615 0.000 1.070 1395 V HN 0.795 nan 8.190 nan 0.000 0.457 1396 P HA 0.086 nan 4.420 nan 0.000 0.266 1396 P C 0.741 177.856 177.300 -0.309 0.000 1.195 1396 P CA 0.265 62.963 63.100 -0.670 0.000 0.768 1396 P CB 0.494 31.833 31.700 -0.601 0.000 0.838 1397 E N 1.954 122.005 120.200 -0.249 0.000 2.085 1397 E HA -0.210 4.140 4.350 0.000 0.000 0.194 1397 E C -0.262 176.093 176.600 -0.407 0.000 0.994 1397 E CA 1.303 57.501 56.400 -0.336 0.000 0.801 1397 E CB 0.046 29.512 29.700 -0.389 0.000 0.743 1397 E HN 0.608 nan 8.360 nan 0.000 0.453 1398 H N -2.202 116.912 119.070 0.072 0.000 2.821 1398 H HA 0.196 4.753 4.556 0.000 0.000 0.373 1398 H C -2.037 173.420 175.328 0.216 0.000 1.165 1398 H CA -2.063 54.052 56.048 0.113 0.000 1.154 1398 H CB 2.028 31.837 29.762 0.079 0.000 1.765 1398 H HN -0.061 nan 8.280 nan 0.000 0.549 1399 P HA -0.056 nan 4.420 nan 0.000 0.236 1399 P C 0.969 178.425 177.300 0.259 0.000 1.177 1399 P CA 0.710 63.945 63.100 0.225 0.000 0.773 1399 P CB 0.216 31.847 31.700 -0.115 0.000 0.878 1400 T N 0.910 115.593 114.554 0.214 0.000 2.607 1400 T HA -0.126 4.224 4.350 0.000 0.000 0.267 1400 T C -0.566 174.267 174.700 0.221 0.000 1.049 1400 T CA 2.249 64.447 62.100 0.162 0.000 1.162 1400 T CB -2.113 66.814 68.868 0.098 0.000 0.863 1400 T HN 0.241 nan 8.240 nan 0.000 0.424 1401 P HA -0.047 nan 4.420 nan 0.000 0.216 1401 P C 1.282 178.873 177.300 0.486 0.000 1.150 1401 P CA 0.733 64.078 63.100 0.409 0.000 0.837 1401 P CB -0.169 31.810 31.700 0.466 0.000 0.786 1402 F N 0.127 120.260 119.950 0.304 0.000 2.146 1402 F HA -0.104 4.423 4.527 0.000 0.000 0.298 1402 F C 1.944 177.812 175.800 0.112 0.000 1.096 1402 F CA 1.296 59.312 58.000 0.028 0.000 1.275 1402 F CB -0.979 38.039 39.000 0.029 0.000 1.008 1402 F HN -0.271 nan 8.300 nan 0.000 0.480 1403 L N 0.101 121.311 121.223 -0.021 0.000 2.042 1403 L HA -0.230 4.110 4.340 0.000 0.000 0.210 1403 L C 2.812 179.582 176.870 -0.166 0.000 1.076 1403 L CA 1.252 56.000 54.840 -0.154 0.000 0.749 1403 L CB -1.231 40.817 42.059 -0.018 0.000 0.893 1403 L HN 0.268 nan 8.230 nan 0.000 0.432 1404 A N -0.141 122.670 122.820 -0.015 0.000 1.902 1404 A HA -0.279 4.042 4.320 0.000 0.000 0.217 1404 A C 2.171 179.736 177.584 -0.032 0.000 1.181 1404 A CA 1.710 53.766 52.037 0.032 0.000 0.623 1404 A CB -0.834 18.267 19.000 0.167 0.000 0.818 1404 A HN 0.437 nan 8.150 nan 0.000 0.443 1405 F N 0.287 120.101 119.950 -0.227 0.000 2.102 1405 F HA -0.143 4.385 4.527 0.000 0.000 0.298 1405 F C 1.817 177.333 175.800 -0.472 0.000 1.105 1405 F CA 1.765 59.499 58.000 -0.442 0.000 1.239 1405 F CB -0.410 38.428 39.000 -0.269 0.000 0.991 1405 F HN 0.196 nan 8.300 nan 0.000 0.474 1406 L N 1.291 122.127 121.223 -0.645 0.000 2.012 1406 L HA -0.193 4.147 4.340 0.000 0.000 0.210 1406 L C 2.484 179.071 176.870 -0.472 0.000 1.073 1406 L CA 1.801 56.254 54.840 -0.645 0.000 0.748 1406 L CB -0.984 40.635 42.059 -0.733 0.000 0.891 1406 L HN 0.126 nan 8.230 nan 0.000 0.431 1407 R N -0.916 119.378 120.500 -0.343 0.000 2.094 1407 R HA -0.250 4.090 4.340 0.000 0.000 0.239 1407 R C 2.415 178.562 176.300 -0.255 0.000 1.137 1407 R CA 1.882 57.840 56.100 -0.237 0.000 0.943 1407 R CB -0.486 29.730 30.300 -0.141 0.000 0.850 1407 R HN 0.275 nan 8.270 nan 0.000 0.433 1408 R N 0.830 121.157 120.500 -0.288 0.000 2.083 1408 R HA -0.123 4.218 4.340 0.000 0.000 0.237 1408 R C 2.047 178.079 176.300 -0.446 0.000 1.137 1408 R CA 1.636 57.591 56.100 -0.243 0.000 0.951 1408 R CB -0.739 29.466 30.300 -0.159 0.000 0.851 1408 R HN 0.049 nan 8.270 nan 0.000 0.434 1409 V N 1.473 120.887 119.914 -0.833 0.000 2.252 1409 V HA -0.324 3.797 4.120 0.000 0.000 0.249 1409 V C 2.261 178.005 176.094 -0.583 0.000 1.056 1409 V CA 2.187 63.804 62.300 -1.139 0.000 1.022 1409 V CB -0.542 30.684 31.823 -0.995 0.000 0.641 1409 V HN 0.291 nan 8.190 nan 0.000 0.445 1410 K N 0.613 120.791 120.400 -0.370 0.000 2.097 1410 K HA -0.144 4.176 4.320 0.000 0.000 0.206 1410 K C 2.292 178.798 176.600 -0.157 0.000 1.049 1410 K CA 1.962 58.120 56.287 -0.214 0.000 0.933 1410 K CB -1.215 31.179 32.500 -0.177 0.000 0.717 1410 K HN 0.748 nan 8.250 nan 0.000 0.442 1411 T N -2.417 112.046 114.554 -0.150 0.000 3.085 1411 T HA -0.057 4.293 4.350 0.000 0.000 0.263 1411 T C 1.987 176.662 174.700 -0.042 0.000 1.127 1411 T CA 0.813 62.866 62.100 -0.078 0.000 1.103 1411 T CB -0.382 68.456 68.868 -0.049 0.000 0.921 1411 T HN 0.118 nan 8.240 nan 0.000 0.510 1412 C N 1.062 120.326 119.300 -0.061 0.000 3.070 1412 C HA 0.432 4.893 4.460 0.000 0.000 0.280 1412 C C 0.908 175.925 174.990 0.045 0.000 1.264 1412 C CA -1.087 57.961 59.018 0.050 0.000 1.690 1412 C CB -1.617 26.284 27.740 0.268 0.000 2.049 1412 C HN 0.609 nan 8.230 nan 0.000 0.636 1413 N N 2.207 120.884 118.700 -0.039 0.000 2.430 1413 N HA 0.302 5.042 4.740 0.000 0.000 0.265 1413 N C -2.685 172.818 175.510 -0.011 0.000 1.100 1413 N CA -0.892 52.149 53.050 -0.015 0.000 0.961 1413 N CB 0.604 39.059 38.487 -0.053 0.000 1.075 1413 N HN 0.143 nan 8.380 nan 0.000 0.478 1414 P HA 0.099 nan 4.420 nan 0.000 0.269 1414 P C -1.977 175.308 177.300 -0.026 0.000 1.209 1414 P CA -0.956 62.139 63.100 -0.009 0.000 0.776 1414 P CB 0.338 32.034 31.700 -0.006 0.000 0.876 1415 P HA -0.080 nan 4.420 nan 0.000 0.237 1415 P C -0.010 177.264 177.300 -0.044 0.000 1.178 1415 P CA 1.102 64.178 63.100 -0.039 0.000 0.766 1415 P CB 0.098 31.778 31.700 -0.034 0.000 0.876 1416 D N -1.593 118.782 120.400 -0.041 0.000 2.501 1416 D HA 0.343 4.983 4.640 0.000 0.000 0.224 1416 D C 0.473 176.742 176.300 -0.052 0.000 1.202 1416 D CA -0.701 53.272 54.000 -0.046 0.000 0.829 1416 D CB -0.122 40.654 40.800 -0.041 0.000 1.023 1416 D HN 0.027 nan 8.370 nan 0.000 0.499 1417 A N 0.049 122.839 122.820 -0.050 0.000 2.252 1417 A HA 0.747 5.067 4.320 0.000 0.000 0.305 1417 A C 1.024 178.574 177.584 -0.058 0.000 1.097 1417 A CA -0.258 51.748 52.037 -0.052 0.000 0.849 1417 A CB 0.358 19.337 19.000 -0.035 0.000 1.142 1417 A HN 0.215 nan 8.150 nan 0.000 0.499 1418 G N -0.839 107.927 108.800 -0.056 0.000 2.516 1418 G HA2 0.494 4.454 3.960 0.000 0.000 0.276 1418 G HA3 0.494 4.454 3.960 0.000 0.000 0.276 1418 G C -2.618 172.260 174.900 -0.036 0.000 1.390 1418 G CA -1.108 43.964 45.100 -0.047 0.000 1.050 1418 G HN 0.548 nan 8.290 nan 0.000 0.519 1419 P HA 0.092 nan 4.420 nan 0.000 0.268 1419 P C 0.018 177.325 177.300 0.012 0.000 1.205 1419 P CA -0.022 63.079 63.100 0.001 0.000 0.771 1419 P CB 0.499 32.262 31.700 0.106 0.000 0.858 1420 M N 3.537 123.144 119.600 0.013 0.000 2.227 1420 M HA 0.108 4.588 4.480 0.000 0.000 0.349 1420 M C -0.876 175.505 176.300 0.135 0.000 1.443 1420 M CA -0.039 55.312 55.300 0.086 0.000 1.110 1420 M CB 0.149 32.839 32.600 0.151 0.000 1.773 1420 M HN -0.013 nan 8.290 nan 0.000 0.463 1421 V N 6.761 126.722 119.914 0.078 0.000 2.488 1421 V HA 0.294 4.414 4.120 0.000 0.000 0.277 1421 V C -0.237 175.909 176.094 0.087 0.000 1.046 1421 V CA -0.483 61.854 62.300 0.061 0.000 0.986 1421 V CB 1.061 32.867 31.823 -0.029 0.000 0.989 1421 V HN 0.665 nan 8.190 nan 0.000 0.475 1422 V N 5.564 125.527 119.914 0.082 0.000 2.540 1422 V HA 0.633 4.753 4.120 0.000 0.000 0.302 1422 V C -0.575 175.555 176.094 0.060 0.000 1.035 1422 V CA -0.655 61.638 62.300 -0.012 0.000 0.873 1422 V CB 1.686 33.471 31.823 -0.064 0.000 0.992 1422 V HN 1.170 nan 8.190 nan 0.000 0.428 1423 H N 2.159 121.213 119.070 -0.026 0.000 3.012 1423 H HA 0.840 5.396 4.556 0.001 0.000 0.367 1423 H C -0.256 175.052 175.328 -0.034 0.000 1.211 1423 H CA -0.307 55.727 56.048 -0.024 0.000 1.139 1423 H CB 1.482 31.235 29.762 -0.014 0.000 1.838 1423 H HN 0.768 nan 8.280 nan 0.000 0.550 1424 C N 0.406 119.745 119.300 0.065 0.000 4.171 1424 C HA 0.629 5.089 4.460 0.000 0.000 0.169 1424 C C 1.865 176.939 174.990 0.141 0.000 3.202 1424 C CA 0.278 59.297 59.018 0.003 0.000 1.826 1424 C CB 0.924 28.580 27.740 -0.139 0.000 3.952 1424 C HN 0.800 nan 8.230 nan 0.000 0.458 1425 S N 0.319 116.062 115.700 0.071 0.000 2.339 1425 S HA 0.239 4.709 4.470 0.000 0.000 0.213 1425 S C 1.854 176.572 174.600 0.196 0.000 1.033 1425 S CA 1.261 59.550 58.200 0.149 0.000 0.950 1425 S CB -0.705 62.588 63.200 0.154 0.000 0.893 1425 S HN 1.048 nan 8.310 nan 0.000 0.492 1426 A N -0.464 122.428 122.820 0.119 0.000 2.238 1426 A HA 0.510 4.831 4.320 0.000 0.000 0.210 1426 A C 1.452 179.060 177.584 0.039 0.000 1.179 1426 A CA 0.864 52.969 52.037 0.114 0.000 0.827 1426 A CB -0.701 18.231 19.000 -0.114 0.000 0.856 1426 A HN 1.306 nan 8.150 nan 0.000 0.488 1427 G N -0.992 107.816 108.800 0.014 0.000 2.176 1427 G HA2 -0.213 3.747 3.960 0.000 0.000 0.252 1427 G HA3 -0.213 3.747 3.960 0.000 0.000 0.252 1427 G C 0.817 175.695 174.900 -0.036 0.000 1.024 1427 G CA 0.950 46.048 45.100 -0.003 0.000 0.755 1427 G HN 1.634 nan 8.290 nan 0.000 0.507 1428 V N -4.563 115.322 119.914 -0.048 0.000 3.368 1428 V HA 0.639 4.759 4.120 0.000 0.000 0.255 1428 V C 1.977 178.045 176.094 -0.043 0.000 1.466 1428 V CA 1.453 63.732 62.300 -0.035 0.000 1.095 1428 V CB -0.291 31.544 31.823 0.020 0.000 0.899 1428 V HN 0.852 nan 8.190 nan 0.000 0.440 1429 G N 1.161 109.903 108.800 -0.097 0.000 2.632 1429 G HA2 0.040 4.000 3.960 0.000 0.000 0.220 1429 G HA3 0.040 4.000 3.960 0.000 0.000 0.220 1429 G C 1.480 176.257 174.900 -0.205 0.000 1.439 1429 G CA 0.537 45.561 45.100 -0.127 0.000 0.934 1429 G HN 0.385 nan 8.290 nan 0.000 0.536 1430 R N -0.075 120.182 120.500 -0.405 0.000 2.120 1430 R HA -0.021 4.319 4.340 0.000 0.000 0.234 1430 R C 2.754 178.870 176.300 -0.306 0.000 1.123 1430 R CA 1.563 57.275 56.100 -0.647 0.000 0.975 1430 R CB -0.693 28.980 30.300 -1.045 0.000 0.866 1430 R HN 0.288 nan 8.270 nan 0.000 0.446 1431 T N 0.123 114.563 114.554 -0.190 0.000 2.720 1431 T HA -0.147 4.203 4.350 0.000 0.000 0.268 1431 T C 1.914 176.610 174.700 -0.007 0.000 1.037 1431 T CA 1.650 63.708 62.100 -0.070 0.000 1.144 1431 T CB -0.475 68.358 68.868 -0.058 0.000 0.864 1431 T HN 0.581 nan 8.240 nan 0.000 0.444 1432 G N 0.068 108.852 108.800 -0.025 0.000 2.402 1432 G HA2 -0.210 3.751 3.960 0.000 0.000 0.216 1432 G HA3 -0.210 3.751 3.960 0.000 0.000 0.216 1432 G C 1.920 176.846 174.900 0.043 0.000 1.162 1432 G CA 0.990 46.100 45.100 0.017 0.000 0.777 1432 G HN 0.540 nan 8.290 nan 0.000 0.539 1433 C N -0.145 119.172 119.300 0.027 0.000 2.413 1433 C HA -0.022 4.438 4.460 0.000 0.000 0.276 1433 C C 2.419 177.441 174.990 0.054 0.000 1.236 1433 C CA 0.751 59.805 59.018 0.061 0.000 1.735 1433 C CB -1.230 26.558 27.740 0.079 0.000 2.031 1433 C HN 0.475 nan 8.230 nan 0.000 0.474 1434 F N 1.588 121.513 119.950 -0.042 0.000 2.069 1434 F HA -0.138 4.389 4.527 0.000 0.000 0.298 1434 F C 2.150 177.964 175.800 0.024 0.000 1.113 1434 F CA 1.768 59.855 58.000 0.145 0.000 1.214 1434 F CB -0.371 38.723 39.000 0.156 0.000 0.978 1434 F HN 0.155 nan 8.300 nan 0.000 0.474 1435 I N -0.593 119.973 120.570 -0.007 0.000 2.202 1435 I HA -0.272 3.898 4.170 0.000 0.000 0.242 1435 I C 2.235 178.227 176.117 -0.209 0.000 1.091 1435 I CA 1.204 62.298 61.300 -0.344 0.000 1.368 1435 I CB -0.659 37.099 38.000 -0.404 0.000 1.058 1435 I HN 0.014 nan 8.210 nan 0.000 0.410 1436 V N 1.287 121.173 119.914 -0.046 0.000 2.295 1436 V HA -0.274 3.846 4.120 0.000 0.000 0.246 1436 V C 2.326 178.354 176.094 -0.110 0.000 1.049 1436 V CA 1.855 64.154 62.300 -0.003 0.000 1.024 1436 V CB -0.493 31.393 31.823 0.104 0.000 0.648 1436 V HN 0.319 nan 8.190 nan 0.000 0.447 1437 I N 0.463 120.977 120.570 -0.093 0.000 2.179 1437 I HA -0.253 3.918 4.170 0.000 0.000 0.242 1437 I C 2.426 178.442 176.117 -0.168 0.000 1.088 1437 I CA 2.088 63.328 61.300 -0.100 0.000 1.357 1437 I CB -0.519 37.501 38.000 0.033 0.000 1.051 1437 I HN 0.367 nan 8.210 nan 0.000 0.409 1438 D N 1.120 121.363 120.400 -0.261 0.000 2.106 1438 D HA -0.233 4.407 4.640 0.000 0.000 0.191 1438 D C 2.147 178.368 176.300 -0.131 0.000 0.997 1438 D CA 1.912 55.759 54.000 -0.256 0.000 0.834 1438 D CB -0.006 40.592 40.800 -0.336 0.000 0.956 1438 D HN 0.314 nan 8.370 nan 0.000 0.448 1439 A N -0.141 122.611 122.820 -0.112 0.000 1.933 1439 A HA -0.135 4.185 4.320 0.000 0.000 0.218 1439 A C 2.224 179.666 177.584 -0.236 0.000 1.175 1439 A CA 1.620 53.587 52.037 -0.117 0.000 0.628 1439 A CB -0.470 18.365 19.000 -0.276 0.000 0.814 1439 A HN 0.258 nan 8.150 nan 0.000 0.444 1440 M N -0.995 118.448 119.600 -0.261 0.000 2.254 1440 M HA 0.005 4.485 4.480 0.000 0.000 0.265 1440 M C 1.905 178.058 176.300 -0.245 0.000 1.066 1440 M CA 0.884 56.026 55.300 -0.264 0.000 1.123 1440 M CB -1.189 31.285 32.600 -0.211 0.000 1.388 1440 M HN 0.290 nan 8.290 nan 0.000 0.425 1441 L N 0.717 121.822 121.223 -0.196 0.000 2.042 1441 L HA -0.175 4.165 4.340 0.000 0.000 0.210 1441 L C 2.267 179.033 176.870 -0.174 0.000 1.076 1441 L CA 1.812 56.552 54.840 -0.167 0.000 0.749 1441 L CB -1.155 40.816 42.059 -0.146 0.000 0.893 1441 L HN 0.384 nan 8.230 nan 0.000 0.432 1442 E N -1.093 118.999 120.200 -0.180 0.000 2.106 1442 E HA -0.243 4.107 4.350 0.000 0.000 0.192 1442 E C 2.264 178.637 176.600 -0.377 0.000 0.984 1442 E CA 0.893 57.201 56.400 -0.154 0.000 0.806 1442 E CB -0.127 29.569 29.700 -0.007 0.000 0.750 1442 E HN 0.373 nan 8.360 nan 0.000 0.458 1443 R N 1.106 121.145 120.500 -0.769 0.000 2.073 1443 R HA -0.142 4.198 4.340 0.000 0.000 0.234 1443 R C 2.310 178.355 176.300 -0.425 0.000 1.134 1443 R CA 1.205 56.637 56.100 -1.113 0.000 0.952 1443 R CB -0.220 29.530 30.300 -0.917 0.000 0.850 1443 R HN 0.117 nan 8.270 nan 0.000 0.433 1444 I N 1.018 121.419 120.570 -0.282 0.000 2.163 1444 I HA -0.322 3.848 4.170 0.000 0.000 0.243 1444 I C 2.665 178.719 176.117 -0.104 0.000 1.085 1444 I CA 1.456 62.660 61.300 -0.159 0.000 1.347 1444 I CB -0.322 37.598 38.000 -0.134 0.000 1.044 1444 I HN 0.270 nan 8.210 nan 0.000 0.408 1445 K N 0.002 120.348 120.400 -0.090 0.000 2.020 1445 K HA -0.302 4.018 4.320 0.000 0.000 0.212 1445 K C 2.286 178.904 176.600 0.030 0.000 1.050 1445 K CA 2.116 58.387 56.287 -0.027 0.000 0.929 1445 K CB -0.208 32.285 32.500 -0.012 0.000 0.714 1445 K HN 0.321 nan 8.250 nan 0.000 0.443 1446 H N -0.202 118.839 119.070 -0.049 0.000 2.403 1446 H HA 0.055 4.611 4.556 0.001 0.000 0.298 1446 H C 1.079 176.420 175.328 0.023 0.000 1.059 1446 H CA 1.707 57.774 56.048 0.032 0.000 1.363 1446 H CB 0.513 30.389 29.762 0.189 0.000 1.410 1446 H HN 0.272 nan 8.280 nan 0.000 0.528 1447 E N -0.867 119.310 120.200 -0.038 0.000 2.541 1447 E HA 0.072 4.422 4.350 0.000 0.000 0.219 1447 E C -0.215 176.346 176.600 -0.065 0.000 0.922 1447 E CA -0.049 56.313 56.400 -0.064 0.000 1.095 1447 E CB 0.948 30.666 29.700 0.028 0.000 1.112 1447 E HN 0.103 nan 8.360 nan 0.000 0.516 1448 K N 1.127 121.484 120.400 -0.072 0.000 3.069 1448 K HA -0.147 4.174 4.320 0.000 0.000 0.267 1448 K C -0.344 176.219 176.600 -0.061 0.000 1.082 1448 K CA 1.523 57.771 56.287 -0.065 0.000 0.782 1448 K CB -2.671 29.796 32.500 -0.055 0.000 1.230 1448 K HN 0.477 nan 8.250 nan 0.000 0.488 1449 T N -3.764 110.748 114.554 -0.071 0.000 2.883 1449 T HA 0.733 5.083 4.350 0.000 0.000 0.296 1449 T C 0.048 174.696 174.700 -0.086 0.000 1.117 1449 T CA -0.414 61.648 62.100 -0.063 0.000 1.006 1449 T CB 2.859 71.705 68.868 -0.036 0.000 1.191 1449 T HN 0.182 nan 8.240 nan 0.000 0.508 1450 V N -1.009 118.860 119.914 -0.075 0.000 2.815 1450 V HA 0.857 4.978 4.120 0.000 0.000 0.314 1450 V C -1.034 175.047 176.094 -0.022 0.000 1.064 1450 V CA -0.779 61.474 62.300 -0.078 0.000 0.952 1450 V CB 1.724 33.488 31.823 -0.098 0.000 1.020 1450 V HN 1.026 nan 8.190 nan 0.000 0.439 1451 D N 1.760 122.172 120.400 0.020 0.000 2.552 1451 D HA 0.438 5.078 4.640 0.000 0.000 0.285 1451 D C 0.721 177.119 176.300 0.163 0.000 1.206 1451 D CA -0.336 53.732 54.000 0.113 0.000 0.826 1451 D CB 0.608 41.497 40.800 0.149 0.000 1.179 1451 D HN 0.522 nan 8.370 nan 0.000 0.508 1452 I N 0.892 121.537 120.570 0.125 0.000 2.179 1452 I HA -0.243 3.927 4.170 0.000 0.000 0.242 1452 I C 1.904 178.219 176.117 0.330 0.000 1.088 1452 I CA 0.922 62.302 61.300 0.133 0.000 1.357 1452 I CB -0.284 37.631 38.000 -0.142 0.000 1.051 1452 I HN 0.361 nan 8.210 nan 0.000 0.409 1453 Y N 1.795 122.276 120.300 0.302 0.000 2.097 1453 Y HA -0.256 4.294 4.550 0.001 0.000 0.282 1453 Y C 2.467 178.471 175.900 0.174 0.000 1.152 1453 Y CA 1.869 60.145 58.100 0.292 0.000 1.136 1453 Y CB -0.819 37.765 38.460 0.207 0.000 0.975 1453 Y HN 0.103 nan 8.280 nan 0.000 0.498 1454 G N -1.982 106.976 108.800 0.264 0.000 2.422 1454 G HA2 -0.340 3.621 3.960 0.000 0.000 0.218 1454 G HA3 -0.340 3.621 3.960 0.000 0.000 0.218 1454 G C 1.375 176.333 174.900 0.097 0.000 1.146 1454 G CA 1.202 46.396 45.100 0.157 0.000 0.769 1454 G HN 0.558 nan 8.290 nan 0.000 0.547 1455 H N -0.289 118.834 119.070 0.089 0.000 2.395 1455 H HA 0.057 4.614 4.556 0.000 0.000 0.299 1455 H C 2.592 177.956 175.328 0.060 0.000 1.070 1455 H CA 1.309 57.407 56.048 0.084 0.000 1.356 1455 H CB 0.069 29.887 29.762 0.094 0.000 1.401 1455 H HN 0.130 nan 8.280 nan 0.000 0.524 1456 V N -0.369 119.599 119.914 0.090 0.000 2.427 1456 V HA -0.226 3.894 4.120 0.000 0.000 0.248 1456 V C 2.291 178.330 176.094 -0.091 0.000 1.051 1456 V CA 2.067 64.392 62.300 0.041 0.000 1.048 1456 V CB -0.687 31.237 31.823 0.169 0.000 0.666 1456 V HN 0.524 nan 8.190 nan 0.000 0.456 1457 T N 0.702 115.147 114.554 -0.182 0.000 2.720 1457 T HA -0.214 4.136 4.350 0.000 0.000 0.268 1457 T C 1.902 176.546 174.700 -0.092 0.000 1.037 1457 T CA 1.957 63.941 62.100 -0.193 0.000 1.144 1457 T CB -0.342 68.364 68.868 -0.271 0.000 0.864 1457 T HN 0.318 nan 8.240 nan 0.000 0.444 1458 L N 0.810 121.968 121.223 -0.108 0.000 2.017 1458 L HA 0.033 4.374 4.340 0.000 0.000 0.208 1458 L C 2.369 179.185 176.870 -0.090 0.000 1.073 1458 L CA 1.761 56.543 54.840 -0.097 0.000 0.745 1458 L CB -0.595 41.360 42.059 -0.174 0.000 0.894 1458 L HN 0.245 nan 8.230 nan 0.000 0.432 1459 M N -1.122 118.380 119.600 -0.163 0.000 2.202 1459 M HA -0.191 4.289 4.480 0.000 0.000 0.262 1459 M C 2.120 178.406 176.300 -0.023 0.000 1.063 1459 M CA 1.334 56.586 55.300 -0.079 0.000 1.097 1459 M CB -0.386 32.176 32.600 -0.064 0.000 1.382 1459 M HN 0.180 nan 8.290 nan 0.000 0.413 1460 R N 0.023 120.512 120.500 -0.019 0.000 2.237 1460 R HA 0.012 4.352 4.340 0.000 0.000 0.219 1460 R C 2.019 178.366 176.300 0.077 0.000 1.080 1460 R CA 1.243 57.344 56.100 0.001 0.000 0.995 1460 R CB -0.618 29.678 30.300 -0.007 0.000 0.875 1460 R HN 0.386 nan 8.270 nan 0.000 0.462 1461 A N 0.641 123.548 122.820 0.144 0.000 2.119 1461 A HA -0.085 4.235 4.320 0.000 0.000 0.216 1461 A C 1.793 179.561 177.584 0.307 0.000 1.152 1461 A CA 0.688 52.914 52.037 0.315 0.000 0.708 1461 A CB 0.047 19.216 19.000 0.282 0.000 0.805 1461 A HN 0.303 nan 8.150 nan 0.000 0.460 1462 Q N -1.722 118.178 119.800 0.167 0.000 2.396 1462 Q HA 0.220 4.561 4.340 0.000 0.000 0.220 1462 Q C 0.680 176.685 176.000 0.008 0.000 0.900 1462 Q CA 0.261 56.131 55.803 0.113 0.000 0.925 1462 Q CB 0.578 29.360 28.738 0.074 0.000 1.065 1462 Q HN 0.510 nan 8.270 nan 0.000 0.535 1463 R N 1.393 121.833 120.500 -0.099 0.000 2.561 1463 R HA 0.150 4.490 4.340 0.000 0.000 0.266 1463 R C -1.497 174.478 176.300 -0.541 0.000 1.091 1463 R CA -0.433 55.421 56.100 -0.411 0.000 0.927 1463 R CB 1.108 31.251 30.300 -0.262 0.000 1.240 1463 R HN 0.213 nan 8.270 nan 0.000 0.449 1464 N N 3.183 121.258 118.700 -1.042 0.000 2.407 1464 N HA -0.061 4.679 4.740 0.000 0.000 0.250 1464 N C -0.651 174.462 175.510 -0.662 0.000 1.236 1464 N CA 0.051 52.481 53.050 -1.032 0.000 0.879 1464 N CB 0.240 37.732 38.487 -1.658 0.000 1.088 1464 N HN 0.733 nan 8.380 nan 0.000 0.450 1465 Y N -2.819 117.394 120.300 -0.145 0.000 4.753 1465 Y HA -0.230 4.320 4.550 0.001 0.000 0.232 1465 Y C 0.196 176.058 175.900 -0.063 0.000 1.029 1465 Y CA -0.035 58.007 58.100 -0.097 0.000 1.996 1465 Y CB -2.020 36.373 38.460 -0.112 0.000 1.602 1465 Y HN 0.602 nan 8.280 nan 0.000 0.621 1466 M N 0.887 120.499 119.600 0.020 0.000 2.290 1466 M HA 0.145 4.625 4.480 0.000 0.000 0.356 1466 M C 0.987 177.344 176.300 0.095 0.000 1.448 1466 M CA 0.705 56.023 55.300 0.030 0.000 0.993 1466 M CB -0.308 32.290 32.600 -0.003 0.000 1.934 1466 M HN 0.297 nan 8.290 nan 0.000 0.461 1467 V N 3.598 123.578 119.914 0.110 0.000 4.394 1467 V HA -0.243 3.878 4.120 0.000 0.000 0.413 1467 V C 1.073 177.304 176.094 0.229 0.000 0.674 1467 V CA 0.982 63.390 62.300 0.180 0.000 1.706 1467 V CB -1.762 30.235 31.823 0.290 0.000 2.080 1467 V HN 1.047 nan 8.190 nan 0.000 0.482 1468 Q N 1.575 121.453 119.800 0.129 0.000 2.354 1468 Q HA 0.055 4.396 4.340 0.000 0.000 0.203 1468 Q C 1.003 177.068 176.000 0.109 0.000 0.933 1468 Q CA 1.338 57.203 55.803 0.104 0.000 0.901 1468 Q CB 0.548 29.276 28.738 -0.017 0.000 1.007 1468 Q HN 1.068 nan 8.270 nan 0.000 0.495 1469 T N -4.010 110.563 114.554 0.032 0.000 2.916 1469 T HA 0.250 4.600 4.350 0.000 0.000 0.292 1469 T C 0.400 174.819 174.700 -0.469 0.000 1.055 1469 T CA -0.825 61.210 62.100 -0.109 0.000 1.009 1469 T CB 1.632 70.431 68.868 -0.115 0.000 1.118 1469 T HN 0.144 nan 8.240 nan 0.000 0.497 1470 E N 0.295 120.088 120.200 -0.678 0.000 2.110 1470 E HA -0.190 4.160 4.350 0.000 0.000 0.193 1470 E C 1.038 177.369 176.600 -0.448 0.000 0.988 1470 E CA 1.339 57.189 56.400 -0.917 0.000 0.804 1470 E CB -0.023 29.373 29.700 -0.506 0.000 0.745 1470 E HN 0.662 nan 8.360 nan 0.000 0.458 1471 D N 0.397 120.629 120.400 -0.280 0.000 2.144 1471 D HA -0.169 4.471 4.640 0.000 0.000 0.199 1471 D C 1.927 178.167 176.300 -0.100 0.000 0.984 1471 D CA 0.914 54.799 54.000 -0.192 0.000 0.834 1471 D CB -0.124 40.586 40.800 -0.151 0.000 0.955 1471 D HN 0.332 nan 8.370 nan 0.000 0.465 1472 Q N -0.626 119.142 119.800 -0.053 0.000 2.084 1472 Q HA -0.193 4.147 4.340 0.000 0.000 0.202 1472 Q C 2.027 178.117 176.000 0.150 0.000 0.978 1472 Q CA 1.020 56.880 55.803 0.095 0.000 0.844 1472 Q CB -0.188 28.603 28.738 0.088 0.000 0.898 1472 Q HN 0.348 nan 8.270 nan 0.000 0.426 1473 Y N 1.047 121.285 120.300 -0.102 0.000 2.181 1473 Y HA -0.228 4.322 4.550 0.000 0.000 0.288 1473 Y C 1.815 177.724 175.900 0.016 0.000 1.146 1473 Y CA 1.394 59.502 58.100 0.014 0.000 1.164 1473 Y CB -0.140 38.265 38.460 -0.092 0.000 0.982 1473 Y HN 0.049 nan 8.280 nan 0.000 0.515 1474 I N -1.254 119.135 120.570 -0.302 0.000 2.226 1474 I HA -0.311 3.859 4.170 0.000 0.000 0.245 1474 I C 2.235 178.274 176.117 -0.131 0.000 1.100 1474 I CA 1.571 62.528 61.300 -0.572 0.000 1.374 1474 I CB -0.606 36.947 38.000 -0.743 0.000 1.057 1474 I HN 0.214 nan 8.210 nan 0.000 0.413 1475 F N 1.799 121.655 119.950 -0.157 0.000 2.171 1475 F HA -0.207 4.320 4.527 0.000 0.000 0.300 1475 F C 2.235 178.007 175.800 -0.047 0.000 1.090 1475 F CA 1.528 59.464 58.000 -0.106 0.000 1.293 1475 F CB -0.236 38.683 39.000 -0.135 0.000 1.013 1475 F HN -0.098 nan 8.300 nan 0.000 0.486 1476 I N -0.227 120.341 120.570 -0.004 0.000 2.163 1476 I HA -0.381 3.789 4.170 0.000 0.000 0.243 1476 I C 2.309 178.314 176.117 -0.187 0.000 1.085 1476 I CA 1.804 63.035 61.300 -0.115 0.000 1.347 1476 I CB -0.676 37.306 38.000 -0.029 0.000 1.044 1476 I HN 0.150 nan 8.210 nan 0.000 0.408 1477 H N 0.357 119.328 119.070 -0.165 0.000 2.321 1477 H HA -0.170 4.386 4.556 0.000 0.000 0.300 1477 H C 1.951 177.219 175.328 -0.100 0.000 1.087 1477 H CA 1.678 57.685 56.048 -0.069 0.000 1.319 1477 H CB -0.335 29.498 29.762 0.118 0.000 1.379 1477 H HN 0.272 nan 8.280 nan 0.000 0.501 1478 D N 0.162 120.538 120.400 -0.039 0.000 2.104 1478 D HA -0.144 4.496 4.640 0.000 0.000 0.194 1478 D C 2.320 178.487 176.300 -0.221 0.000 0.994 1478 D CA 1.358 55.287 54.000 -0.119 0.000 0.830 1478 D CB -0.572 40.139 40.800 -0.149 0.000 0.959 1478 D HN 0.413 nan 8.370 nan 0.000 0.452 1479 A N 0.635 123.190 122.820 -0.441 0.000 1.883 1479 A HA -0.165 4.155 4.320 0.000 0.000 0.217 1479 A C 2.434 179.908 177.584 -0.183 0.000 1.186 1479 A CA 1.216 53.032 52.037 -0.368 0.000 0.624 1479 A CB -0.877 17.824 19.000 -0.497 0.000 0.822 1479 A HN 0.234 nan 8.150 nan 0.000 0.444 1480 L N -1.243 119.879 121.223 -0.168 0.000 2.109 1480 L HA -0.115 4.225 4.340 0.000 0.000 0.207 1480 L C 2.504 179.325 176.870 -0.082 0.000 1.086 1480 L CA 0.842 55.608 54.840 -0.123 0.000 0.760 1480 L CB -0.453 41.519 42.059 -0.145 0.000 0.910 1480 L HN 0.455 nan 8.230 nan 0.000 0.437 1481 L N 0.349 121.537 121.223 -0.058 0.000 2.046 1481 L HA -0.232 4.108 4.340 0.000 0.000 0.208 1481 L C 2.480 179.330 176.870 -0.034 0.000 1.077 1481 L CA 1.910 56.735 54.840 -0.026 0.000 0.747 1481 L CB -0.538 41.526 42.059 0.008 0.000 0.896 1481 L HN 0.314 nan 8.230 nan 0.000 0.432 1482 E N -0.591 119.581 120.200 -0.048 0.000 2.077 1482 E HA -0.238 4.112 4.350 0.000 0.000 0.193 1482 E C 2.081 178.657 176.600 -0.040 0.000 0.989 1482 E CA 1.220 57.597 56.400 -0.038 0.000 0.800 1482 E CB -0.213 29.465 29.700 -0.038 0.000 0.746 1482 E HN 0.594 nan 8.360 nan 0.000 0.452 1483 A N 0.937 123.725 122.820 -0.054 0.000 1.908 1483 A HA -0.172 4.148 4.320 0.000 0.000 0.218 1483 A C 2.485 180.039 177.584 -0.049 0.000 1.181 1483 A CA 1.939 53.943 52.037 -0.055 0.000 0.627 1483 A CB -1.053 17.904 19.000 -0.072 0.000 0.818 1483 A HN 0.387 nan 8.150 nan 0.000 0.445 1484 V N -1.615 118.270 119.914 -0.047 0.000 2.548 1484 V HA -0.058 4.062 4.120 0.000 0.000 0.249 1484 V C 1.719 177.795 176.094 -0.030 0.000 1.055 1484 V CA 2.053 64.329 62.300 -0.040 0.000 1.065 1484 V CB -1.706 30.093 31.823 -0.038 0.000 0.681 1484 V HN 0.704 nan 8.190 nan 0.000 0.462 1485 T N -1.803 112.736 114.554 -0.025 0.000 3.843 1485 T HA 0.550 4.900 4.350 0.000 0.000 0.227 1485 T C -0.090 174.597 174.700 -0.020 0.000 1.043 1485 T CA -0.180 61.909 62.100 -0.019 0.000 1.012 1485 T CB -1.376 67.484 68.868 -0.013 0.000 1.279 1485 T HN 0.593 nan 8.240 nan 0.000 0.730 1486 C N 0.000 119.286 119.300 -0.023 0.000 2.653 1486 C HA 0.000 4.460 4.460 0.000 0.000 0.325 1486 C CA 0.000 59.005 59.018 -0.021 0.000 1.963 1486 C CB 0.000 27.726 27.740 -0.023 0.000 2.134 1486 C HN 0.000 nan 8.230 nan 0.000 0.568