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 1yym_1_P DATA FIRST_RESID 1083 DATA SEQUENCE EVKLENVTEN FNMWKNNMVE QMHEDIISLW DQSLKPcVKL TPLcVGAXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XGScNTSVIT QAcPKVSFEP IPIHYcAPAG FAILKcNDKK DATA SEQUENCE FNGTGPcTNV STVQcTHGIR PVVSTQLLLN GSLAEEEIVI RSENFTNNAK DATA SEQUENCE TIIVQLNESV VINcTGAXXX XXXXXXXXXX XXXXXXXXXX XXXXXXGHcN DATA SEQUENCE LSKTQWENTL EQIAIKLKEQ FGNNKTIIFN PSSGGDPEIV THSFNcGGEF DATA SEQUENCE FYcNSTQLFT WXXXXXXXXX XXXXXXXXXR NITLPcRIKQ IINMWQEVGK DATA SEQUENCE AMYAPPIRGQ IRcSSNITGL LLTRDGGKDT NGTEIFRPGG GDMRDNWRSE DATA SEQUENCE LYKYKVVKIE 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 1083 E HA 0.000 nan 4.350 nan 0.000 0.291 1083 E C 0.000 176.600 176.600 0.001 0.000 1.382 1083 E CA 0.000 56.400 56.400 0.000 0.000 0.976 1083 E CB 0.000 29.700 29.700 0.000 0.000 0.812 1084 V N 3.506 123.420 119.914 0.000 0.000 3.139 1084 V HA 0.373 4.493 4.120 -0.001 0.000 0.307 1084 V C -0.577 175.518 176.094 0.001 0.000 1.095 1084 V CA 0.487 62.787 62.300 0.001 0.000 1.160 1084 V CB 0.688 32.511 31.823 0.000 0.000 1.003 1084 V HN 0.667 nan 8.190 nan 0.000 0.489 1085 K N 5.158 125.559 120.400 0.001 0.000 2.270 1085 K HA 0.490 4.809 4.320 -0.001 0.000 0.255 1085 K C -0.744 175.857 176.600 0.002 0.000 0.936 1085 K CA -0.605 55.683 56.287 0.002 0.000 0.809 1085 K CB 2.112 34.614 32.500 0.002 0.000 1.131 1085 K HN 0.705 nan 8.250 nan 0.000 0.427 1086 L N 2.054 123.278 121.223 0.002 0.000 2.397 1086 L HA 0.241 4.580 4.340 -0.001 0.000 0.271 1086 L C -0.401 176.471 176.870 0.003 0.000 1.148 1086 L CA 0.389 55.230 54.840 0.002 0.000 0.825 1086 L CB 0.640 42.699 42.059 0.001 0.000 1.117 1086 L HN 0.779 nan 8.230 nan 0.000 0.456 1087 E N 3.613 123.815 120.200 0.003 0.000 2.352 1087 E HA 0.259 4.608 4.350 -0.001 0.000 0.280 1087 E C -1.447 175.157 176.600 0.005 0.000 0.930 1087 E CA -0.896 55.507 56.400 0.005 0.000 0.765 1087 E CB 1.397 31.101 29.700 0.006 0.000 1.219 1087 E HN 0.649 nan 8.360 nan 0.000 0.434 1088 N N 1.364 120.068 118.700 0.006 0.000 2.503 1088 N HA 0.108 4.847 4.740 -0.001 0.000 0.267 1088 N C -0.764 174.754 175.510 0.013 0.000 1.214 1088 N CA -0.132 52.922 53.050 0.007 0.000 0.959 1088 N CB 1.717 40.207 38.487 0.004 0.000 1.142 1088 N HN 0.269 nan 8.380 nan 0.000 0.455 1089 V N 2.002 121.926 119.914 0.016 0.000 2.389 1089 V HA 0.087 4.206 4.120 -0.001 0.000 0.264 1089 V C 0.565 176.681 176.094 0.035 0.000 1.049 1089 V CA -0.070 62.243 62.300 0.021 0.000 0.932 1089 V CB 0.556 32.389 31.823 0.018 0.000 1.011 1089 V HN 0.669 nan 8.190 nan 0.000 0.475 1090 T N 5.867 120.445 114.554 0.040 0.000 2.913 1090 T HA 0.468 4.817 4.350 -0.001 0.000 0.287 1090 T C -0.515 174.233 174.700 0.081 0.000 1.008 1090 T CA -0.353 61.785 62.100 0.063 0.000 1.067 1090 T CB 0.734 69.635 68.868 0.055 0.000 0.996 1090 T HN 0.854 nan 8.240 nan 0.000 0.513 1091 E N 2.348 122.636 120.200 0.147 0.000 2.366 1091 E HA 0.318 4.667 4.350 -0.001 0.000 0.278 1091 E C -1.307 175.452 176.600 0.265 0.000 0.923 1091 E CA -0.835 55.646 56.400 0.135 0.000 0.761 1091 E CB 1.739 31.461 29.700 0.036 0.000 1.231 1091 E HN 0.585 nan 8.360 nan 0.000 0.443 1092 N N 1.042 119.835 118.700 0.156 0.000 2.419 1092 N HA 0.431 5.170 4.740 -0.001 0.000 0.277 1092 N C -1.058 174.596 175.510 0.239 0.000 1.006 1092 N CA -0.137 53.065 53.050 0.254 0.000 0.923 1092 N CB 0.462 39.037 38.487 0.148 0.000 1.140 1092 N HN 0.168 nan 8.380 nan 0.000 0.488 1093 F N 0.639 120.702 119.950 0.188 0.000 2.497 1093 F HA 0.538 5.064 4.527 -0.001 0.000 0.331 1093 F C 0.614 176.529 175.800 0.193 0.000 1.060 1093 F CA -0.948 57.179 58.000 0.212 0.000 0.989 1093 F CB 1.134 40.351 39.000 0.361 0.000 1.245 1093 F HN 0.286 nan 8.300 nan 0.000 0.486 1094 N N 1.653 120.549 118.700 0.328 0.000 2.793 1094 N HA 0.107 4.846 4.740 -0.001 0.000 0.251 1094 N C 0.201 175.785 175.510 0.123 0.000 1.308 1094 N CA -0.222 52.967 53.050 0.232 0.000 0.781 1094 N CB 0.751 39.360 38.487 0.204 0.000 1.439 1094 N HN 0.707 nan 8.380 nan 0.000 0.562 1095 M N -0.260 119.323 119.600 -0.029 0.000 2.346 1095 M HA 0.066 4.546 4.480 -0.001 0.000 0.263 1095 M C 0.256 176.294 176.300 -0.437 0.000 1.064 1095 M CA 1.294 56.437 55.300 -0.261 0.000 1.083 1095 M CB -0.245 32.081 32.600 -0.456 0.000 1.399 1095 M HN 0.335 nan 8.290 nan 0.000 0.435 1096 W N 1.560 122.897 121.300 0.061 0.000 2.863 1096 W HA 0.191 4.851 4.660 -0.001 0.000 0.258 1096 W C 0.654 177.192 176.519 0.032 0.000 1.298 1096 W CA -0.134 57.228 57.345 0.028 0.000 1.451 1096 W CB 0.252 29.710 29.460 -0.003 0.000 1.107 1096 W HN -0.013 nan 8.180 nan 0.000 0.641 1097 K N 1.216 121.722 120.400 0.176 0.000 3.163 1097 K HA 0.168 4.488 4.320 -0.001 0.000 0.186 1097 K C -0.831 175.811 176.600 0.070 0.000 1.111 1097 K CA -0.170 56.189 56.287 0.120 0.000 0.918 1097 K CB 0.165 32.737 32.500 0.121 0.000 1.059 1097 K HN -0.123 nan 8.250 nan 0.000 0.558 1098 N N 1.025 119.754 118.700 0.047 0.000 2.479 1098 N HA 0.185 4.925 4.740 -0.001 0.000 0.261 1098 N C 0.254 175.768 175.510 0.006 0.000 0.979 1098 N CA -0.229 52.836 53.050 0.026 0.000 0.930 1098 N CB 0.702 39.209 38.487 0.034 0.000 1.172 1098 N HN 0.169 nan 8.380 nan 0.000 0.499 1099 N N 2.759 121.450 118.700 -0.014 0.000 2.443 1099 N HA -0.091 4.648 4.740 -0.001 0.000 0.184 1099 N C 1.279 176.745 175.510 -0.073 0.000 1.037 1099 N CA 0.850 53.880 53.050 -0.034 0.000 0.896 1099 N CB 0.132 38.590 38.487 -0.049 0.000 0.959 1099 N HN 0.563 nan 8.380 nan 0.000 0.442 1100 M N 0.112 119.652 119.600 -0.100 0.000 2.175 1100 M HA -0.122 4.358 4.480 -0.001 0.000 0.264 1100 M C 1.998 178.186 176.300 -0.188 0.000 1.063 1100 M CA 1.065 56.239 55.300 -0.210 0.000 1.119 1100 M CB -0.082 32.392 32.600 -0.210 0.000 1.377 1100 M HN 0.022 nan 8.290 nan 0.000 0.415 1101 V N 0.066 119.953 119.914 -0.046 0.000 2.343 1101 V HA -0.240 3.879 4.120 -0.001 0.000 0.247 1101 V C 2.177 178.337 176.094 0.111 0.000 1.051 1101 V CA 1.855 64.197 62.300 0.070 0.000 1.036 1101 V CB -0.626 31.257 31.823 0.099 0.000 0.654 1101 V HN 0.377 nan 8.190 nan 0.000 0.451 1102 E N -0.184 120.052 120.200 0.059 0.000 2.110 1102 E HA -0.224 4.125 4.350 -0.001 0.000 0.193 1102 E C 2.164 178.813 176.600 0.082 0.000 0.988 1102 E CA 1.265 57.721 56.400 0.093 0.000 0.804 1102 E CB -0.309 29.420 29.700 0.047 0.000 0.745 1102 E HN 0.571 nan 8.360 nan 0.000 0.458 1103 Q N -0.247 119.534 119.800 -0.033 0.000 2.079 1103 Q HA -0.044 4.296 4.340 -0.001 0.000 0.200 1103 Q C 2.137 178.095 176.000 -0.070 0.000 0.974 1103 Q CA 1.690 57.448 55.803 -0.075 0.000 0.840 1103 Q CB -0.279 28.343 28.738 -0.193 0.000 0.898 1103 Q HN 0.392 nan 8.270 nan 0.000 0.430 1104 M N -1.120 118.370 119.600 -0.184 0.000 2.159 1104 M HA -0.209 4.270 4.480 -0.001 0.000 0.263 1104 M C 1.831 178.010 176.300 -0.201 0.000 1.063 1104 M CA 1.981 57.162 55.300 -0.198 0.000 1.110 1104 M CB -0.230 32.160 32.600 -0.351 0.000 1.374 1104 M HN 0.411 nan 8.290 nan 0.000 0.411 1105 H N 0.203 119.226 119.070 -0.079 0.000 2.319 1105 H HA -0.199 4.357 4.556 -0.001 0.000 0.299 1105 H C 1.887 177.321 175.328 0.177 0.000 1.092 1105 H CA 2.458 58.641 56.048 0.226 0.000 1.302 1105 H CB -0.131 29.870 29.762 0.398 0.000 1.373 1105 H HN 0.552 nan 8.280 nan 0.000 0.497 1106 E N -0.642 119.630 120.200 0.120 0.000 2.268 1106 E HA -0.148 4.201 4.350 -0.001 0.000 0.195 1106 E C 1.193 177.806 176.600 0.023 0.000 0.995 1106 E CA 1.031 57.453 56.400 0.037 0.000 0.836 1106 E CB 0.124 29.860 29.700 0.061 0.000 0.763 1106 E HN 0.529 nan 8.360 nan 0.000 0.491 1107 D N 0.416 120.834 120.400 0.030 0.000 2.137 1107 D HA -0.105 4.534 4.640 -0.001 0.000 0.202 1107 D C 1.895 178.217 176.300 0.037 0.000 0.970 1107 D CA 0.629 54.654 54.000 0.042 0.000 0.837 1107 D CB 0.022 40.880 40.800 0.095 0.000 0.981 1107 D HN 0.235 nan 8.370 nan 0.000 0.475 1108 I N 0.959 121.522 120.570 -0.011 0.000 2.315 1108 I HA -0.152 4.017 4.170 -0.001 0.000 0.248 1108 I C 2.443 178.700 176.117 0.232 0.000 1.117 1108 I CA 0.664 62.011 61.300 0.078 0.000 1.404 1108 I CB -0.770 37.176 38.000 -0.090 0.000 1.071 1108 I HN 0.042 nan 8.210 nan 0.000 0.419 1109 I N 0.523 121.167 120.570 0.124 0.000 2.202 1109 I HA -0.262 3.908 4.170 -0.001 0.000 0.242 1109 I C 2.602 178.773 176.117 0.090 0.000 1.091 1109 I CA 1.170 62.471 61.300 0.002 0.000 1.368 1109 I CB -0.286 37.590 38.000 -0.206 0.000 1.058 1109 I HN 0.120 nan 8.210 nan 0.000 0.410 1110 S N 0.837 116.580 115.700 0.072 0.000 2.370 1110 S HA -0.168 4.302 4.470 -0.001 0.000 0.226 1110 S C 1.903 176.582 174.600 0.131 0.000 1.033 1110 S CA 1.241 59.488 58.200 0.078 0.000 1.011 1110 S CB -0.322 62.909 63.200 0.052 0.000 0.852 1110 S HN 0.196 nan 8.310 nan 0.000 0.457 1111 L N 0.019 121.350 121.223 0.179 0.000 1.994 1111 L HA -0.017 4.323 4.340 -0.001 0.000 0.208 1111 L C 2.011 179.053 176.870 0.287 0.000 1.071 1111 L CA 1.500 56.461 54.840 0.202 0.000 0.745 1111 L CB -1.096 41.093 42.059 0.217 0.000 0.892 1111 L HN 0.382 nan 8.230 nan 0.000 0.431 1112 W N -0.006 121.369 121.300 0.124 0.000 2.363 1112 W HA -0.199 4.460 4.660 -0.001 0.000 0.296 1112 W C 2.295 178.883 176.519 0.115 0.000 1.212 1112 W CA 1.378 58.824 57.345 0.168 0.000 1.260 1112 W CB -0.789 28.829 29.460 0.264 0.000 1.131 1112 W HN 0.191 nan 8.180 nan 0.000 0.530 1113 D N -0.779 119.800 120.400 0.298 0.000 2.403 1113 D HA -0.145 4.495 4.640 -0.001 0.000 0.227 1113 D C 1.689 178.054 176.300 0.107 0.000 0.995 1113 D CA 1.167 55.262 54.000 0.158 0.000 0.928 1113 D CB 0.066 40.919 40.800 0.089 0.000 0.887 1113 D HN 0.365 nan 8.370 nan 0.000 0.529 1114 Q N -3.125 116.740 119.800 0.108 0.000 2.171 1114 Q HA 0.341 4.680 4.340 -0.001 0.000 0.250 1114 Q C 0.942 176.967 176.000 0.042 0.000 0.791 1114 Q CA -0.019 55.820 55.803 0.061 0.000 0.950 1114 Q CB 0.334 29.101 28.738 0.048 0.000 1.151 1114 Q HN -0.104 nan 8.270 nan 0.000 0.480 1115 S N -0.401 115.323 115.700 0.040 0.000 2.819 1115 S HA 0.453 4.923 4.470 -0.001 0.000 0.249 1115 S C -0.282 174.293 174.600 -0.041 0.000 1.030 1115 S CA -0.231 57.964 58.200 -0.009 0.000 1.052 1115 S CB 0.521 63.701 63.200 -0.033 0.000 1.017 1115 S HN 0.234 nan 8.310 nan 0.000 0.576 1116 L N 1.941 123.174 121.223 0.017 0.000 2.685 1116 L HA 0.298 4.638 4.340 -0.001 0.000 0.297 1116 L C -0.708 176.311 176.870 0.248 0.000 1.367 1116 L CA -0.031 54.850 54.840 0.069 0.000 0.703 1116 L CB 0.643 42.577 42.059 -0.208 0.000 1.039 1116 L HN -0.092 nan 8.230 nan 0.000 0.529 1117 K N 1.228 121.699 120.400 0.118 0.000 2.350 1117 K HA 0.351 4.671 4.320 -0.001 0.000 0.279 1117 K C -2.367 174.136 176.600 -0.163 0.000 1.027 1117 K CA -1.482 54.821 56.287 0.027 0.000 0.969 1117 K CB 0.428 32.925 32.500 -0.004 0.000 0.954 1117 K HN -0.054 nan 8.250 nan 0.000 0.474 1118 P HA 0.146 nan 4.420 nan 0.000 0.279 1118 P C 0.032 177.111 177.300 -0.368 0.000 1.252 1118 P CA -0.595 62.025 63.100 -0.800 0.000 0.811 1118 P CB 0.782 32.065 31.700 -0.696 0.000 1.035 1119 c N 0.448 118.862 118.600 -0.311 0.000 2.450 1119 c HA 0.163 4.732 4.570 -0.001 0.000 0.279 1119 c C 1.192 175.209 174.090 -0.122 0.000 1.335 1119 c CA 0.342 56.581 56.329 -0.150 0.000 1.749 1119 c CB -0.480 41.974 42.510 -0.093 0.000 1.963 1119 c HN 0.396 nan 8.230 nan 0.000 0.501 1120 V N 0.518 120.345 119.914 -0.145 0.000 2.932 1120 V HA 0.596 4.715 4.120 -0.001 0.000 0.307 1120 V C -1.441 174.588 176.094 -0.109 0.000 1.147 1120 V CA -0.536 61.704 62.300 -0.099 0.000 0.951 1120 V CB 1.978 33.761 31.823 -0.067 0.000 1.031 1120 V HN 0.358 nan 8.190 nan 0.000 0.426 1121 K N 5.826 126.179 120.400 -0.079 0.000 2.468 1121 K HA 0.727 5.046 4.320 -0.001 0.000 0.252 1121 K C -2.119 174.454 176.600 -0.044 0.000 0.932 1121 K CA -0.745 55.503 56.287 -0.066 0.000 0.794 1121 K CB 2.017 34.477 32.500 -0.067 0.000 1.241 1121 K HN 0.736 nan 8.250 nan 0.000 0.428 1122 L N 3.722 124.924 121.223 -0.035 0.000 2.349 1122 L HA 0.521 4.861 4.340 -0.001 0.000 0.278 1122 L C -0.559 176.297 176.870 -0.023 0.000 0.996 1122 L CA -0.731 54.093 54.840 -0.026 0.000 0.825 1122 L CB 2.006 44.051 42.059 -0.022 0.000 1.243 1122 L HN 0.860 nan 8.230 nan 0.000 0.412 1123 T N 0.293 114.834 114.554 -0.021 0.000 2.903 1123 T HA 0.599 4.948 4.350 -0.001 0.000 0.299 1123 T C -2.978 171.713 174.700 -0.014 0.000 1.093 1123 T CA -2.389 59.700 62.100 -0.019 0.000 1.002 1123 T CB 2.209 71.063 68.868 -0.023 0.000 1.127 1123 T HN 0.102 nan 8.240 nan 0.000 0.488 1124 P HA 0.377 nan 4.420 nan 0.000 0.276 1124 P C -1.099 176.196 177.300 -0.008 0.000 1.243 1124 P CA -0.559 62.536 63.100 -0.008 0.000 0.768 1124 P CB 0.341 32.038 31.700 -0.005 0.000 0.856 1125 L N 6.231 127.450 121.223 -0.008 0.000 2.295 1125 L HA 0.407 4.747 4.340 -0.001 0.000 0.281 1125 L C -0.957 175.910 176.870 -0.005 0.000 1.018 1125 L CA -0.366 54.470 54.840 -0.007 0.000 0.841 1125 L CB -0.080 41.974 42.059 -0.008 0.000 1.218 1125 L HN 0.388 nan 8.230 nan 0.000 0.424 1126 c N 3.437 122.035 118.600 -0.003 0.000 2.505 1126 c HA 0.904 5.473 4.570 -0.001 0.000 0.358 1126 c C 0.426 174.515 174.090 -0.002 0.000 1.226 1126 c CA -0.656 55.672 56.329 -0.002 0.000 1.900 1126 c CB 1.594 44.103 42.510 -0.001 0.000 2.306 1126 c HN 0.744 nan 8.230 nan 0.000 0.512 1127 V N -0.453 119.461 119.914 -0.001 0.000 3.181 1127 V HA 0.895 5.014 4.120 -0.001 0.000 0.314 1127 V C 0.915 177.010 176.094 0.000 0.000 1.173 1127 V CA 0.238 62.538 62.300 -0.000 0.000 1.052 1127 V CB 0.794 32.617 31.823 -0.001 0.000 1.123 1127 V HN 0.979 nan 8.190 nan 0.000 0.454 1128 G N -0.137 108.663 108.800 0.001 0.000 2.418 1128 G HA2 0.079 4.039 3.960 -0.001 0.000 0.217 1128 G HA3 0.079 4.039 3.960 -0.001 0.000 0.217 1128 G C 0.911 175.811 174.900 0.001 0.000 1.158 1128 G CA 0.904 46.005 45.100 0.001 0.000 0.771 1128 G HN 1.537 nan 8.290 nan 0.000 0.545 1195 S N 0.306 116.006 115.700 -0.000 0.000 2.531 1195 S HA 0.589 5.058 4.470 -0.001 0.000 0.279 1195 S C 0.168 174.767 174.600 -0.002 0.000 1.305 1195 S CA -0.305 57.895 58.200 -0.001 0.000 1.058 1195 S CB 1.083 64.282 63.200 -0.001 0.000 0.899 1195 S HN 0.489 nan 8.310 nan 0.000 0.493 1196 c N 3.200 121.799 118.600 -0.002 0.000 2.667 1196 c HA 0.691 5.261 4.570 -0.001 0.000 0.323 1196 c C 0.533 174.621 174.090 -0.004 0.000 1.214 1196 c CA -0.841 55.487 56.329 -0.003 0.000 1.721 1196 c CB 0.997 43.505 42.510 -0.002 0.000 2.275 1196 c HN 1.060 nan 8.230 nan 0.000 0.491 1197 N N -1.019 117.678 118.700 -0.005 0.000 2.761 1197 N HA 0.562 5.302 4.740 -0.001 0.000 0.283 1197 N C -1.426 174.080 175.510 -0.007 0.000 1.377 1197 N CA -0.511 52.535 53.050 -0.006 0.000 0.791 1197 N CB 1.893 40.377 38.487 -0.006 0.000 1.540 1197 N HN 0.597 nan 8.380 nan 0.000 0.539 1198 T N 0.440 114.989 114.554 -0.009 0.000 2.749 1198 T HA 0.215 4.565 4.350 -0.001 0.000 0.287 1198 T C -0.230 174.463 174.700 -0.012 0.000 0.970 1198 T CA -0.242 61.852 62.100 -0.010 0.000 0.980 1198 T CB 1.013 69.875 68.868 -0.011 0.000 0.924 1198 T HN 0.309 nan 8.240 nan 0.000 0.456 1199 S N 3.142 118.834 115.700 -0.014 0.000 2.523 1199 S HA 0.463 4.933 4.470 -0.001 0.000 0.275 1199 S C -0.246 174.343 174.600 -0.019 0.000 1.281 1199 S CA -0.618 57.572 58.200 -0.016 0.000 1.050 1199 S CB 0.196 63.386 63.200 -0.016 0.000 0.937 1199 S HN 0.465 nan 8.310 nan 0.000 0.492 1200 V N 7.176 127.078 119.914 -0.020 0.000 2.409 1200 V HA 0.514 4.633 4.120 -0.001 0.000 0.291 1200 V C -0.272 175.807 176.094 -0.026 0.000 1.020 1200 V CA -0.578 61.707 62.300 -0.024 0.000 0.848 1200 V CB 1.278 33.088 31.823 -0.022 0.000 0.990 1200 V HN 0.830 nan 8.190 nan 0.000 0.430 1201 I N 3.876 124.426 120.570 -0.033 0.000 2.436 1201 I HA 0.464 4.634 4.170 -0.001 0.000 0.289 1201 I C -0.184 175.907 176.117 -0.043 0.000 1.010 1201 I CA -0.178 61.101 61.300 -0.035 0.000 1.098 1201 I CB 2.273 40.251 38.000 -0.035 0.000 1.266 1201 I HN 0.501 nan 8.210 nan 0.000 0.434 1202 T N 6.328 120.859 114.554 -0.038 0.000 2.786 1202 T HA 0.512 4.862 4.350 -0.001 0.000 0.283 1202 T C -0.673 174.004 174.700 -0.039 0.000 0.992 1202 T CA -0.723 61.352 62.100 -0.042 0.000 0.954 1202 T CB 1.300 70.148 68.868 -0.034 0.000 0.934 1202 T HN 0.657 nan 8.240 nan 0.000 0.440 1203 Q N 1.282 121.053 119.800 -0.048 0.000 2.462 1203 Q HA 0.760 5.100 4.340 -0.001 0.000 0.285 1203 Q C -1.122 174.854 176.000 -0.040 0.000 1.035 1203 Q CA -1.493 54.287 55.803 -0.039 0.000 0.799 1203 Q CB 1.703 30.420 28.738 -0.036 0.000 1.452 1203 Q HN 0.630 nan 8.270 nan 0.000 0.404 1204 A N 0.740 123.544 122.820 -0.027 0.000 2.566 1204 A HA 0.270 4.590 4.320 -0.001 0.000 0.245 1204 A C 0.509 178.078 177.584 -0.026 0.000 1.056 1204 A CA 0.091 52.115 52.037 -0.022 0.000 0.757 1204 A CB -0.721 18.271 19.000 -0.013 0.000 0.979 1204 A HN 0.900 nan 8.150 nan 0.000 0.508 1205 c N 1.951 120.536 118.600 -0.025 0.000 2.842 1205 c HA 0.541 5.110 4.570 -0.001 0.000 0.311 1205 c C -2.429 171.668 174.090 0.011 0.000 1.312 1205 c CA -2.432 53.885 56.329 -0.020 0.000 1.651 1205 c CB -1.103 41.376 42.510 -0.053 0.000 1.826 1205 c HN 0.668 nan 8.230 nan 0.000 0.491 1206 P HA 0.021 nan 4.420 nan 0.000 0.261 1206 P C 0.058 177.372 177.300 0.023 0.000 1.183 1206 P CA 0.910 64.017 63.100 0.012 0.000 0.761 1206 P CB 0.548 32.251 31.700 0.005 0.000 0.785 1207 K N 2.909 123.322 120.400 0.022 0.000 2.262 1207 K HA 0.235 4.554 4.320 -0.001 0.000 0.288 1207 K C -0.345 176.258 176.600 0.005 0.000 1.090 1207 K CA -0.299 56.002 56.287 0.024 0.000 0.918 1207 K CB 0.606 33.120 32.500 0.024 0.000 1.139 1207 K HN 0.221 nan 8.250 nan 0.000 0.462 1208 V N 2.292 122.202 119.914 -0.006 0.000 2.459 1208 V HA 0.160 4.279 4.120 -0.001 0.000 0.295 1208 V C -0.011 176.061 176.094 -0.035 0.000 1.029 1208 V CA -0.496 61.791 62.300 -0.021 0.000 0.874 1208 V CB 1.840 33.646 31.823 -0.028 0.000 0.985 1208 V HN 0.657 nan 8.190 nan 0.000 0.438 1209 S N 6.952 122.634 115.700 -0.029 0.000 4.120 1209 S HA 0.313 4.782 4.470 -0.001 0.000 0.215 1209 S C 0.162 174.735 174.600 -0.044 0.000 1.347 1209 S CA 0.186 58.367 58.200 -0.032 0.000 0.889 1209 S CB -0.812 62.377 63.200 -0.017 0.000 1.585 1209 S HN 1.045 nan 8.310 nan 0.000 0.447 1210 F N 1.948 121.855 119.950 -0.071 0.000 2.546 1210 F HA 0.230 4.756 4.527 -0.001 0.000 0.388 1210 F C 0.643 176.407 175.800 -0.061 0.000 1.051 1210 F CA -0.610 57.340 58.000 -0.082 0.000 1.130 1210 F CB -0.698 38.219 39.000 -0.139 0.000 1.044 1210 F HN 0.600 nan 8.300 nan 0.000 0.553 1211 E N 4.637 124.811 120.200 -0.045 0.000 2.214 1211 E HA 0.530 4.880 4.350 -0.001 0.000 0.274 1211 E C -2.625 173.957 176.600 -0.030 0.000 0.977 1211 E CA -1.934 54.447 56.400 -0.032 0.000 0.827 1211 E CB 1.314 30.999 29.700 -0.026 0.000 1.130 1211 E HN 0.541 nan 8.360 nan 0.000 0.394 1212 P HA 0.046 nan 4.420 nan 0.000 0.261 1212 P C -1.037 176.247 177.300 -0.026 0.000 1.183 1212 P CA 0.604 63.695 63.100 -0.016 0.000 0.761 1212 P CB 0.206 31.901 31.700 -0.008 0.000 0.785 1213 I N 6.065 126.616 120.570 -0.031 0.000 2.382 1213 I HA 0.256 4.426 4.170 -0.001 0.000 0.285 1213 I C -2.149 173.928 176.117 -0.066 0.000 1.007 1213 I CA -2.454 58.816 61.300 -0.049 0.000 1.142 1213 I CB 1.835 39.804 38.000 -0.052 0.000 1.289 1213 I HN 0.158 nan 8.210 nan 0.000 0.453 1214 P HA 0.284 nan 4.420 nan 0.000 0.271 1214 P C -0.707 176.479 177.300 -0.189 0.000 1.220 1214 P CA 0.024 63.055 63.100 -0.115 0.000 0.768 1214 P CB 0.486 32.119 31.700 -0.111 0.000 0.848 1215 I N -0.027 120.421 120.570 -0.204 0.000 3.145 1215 I HA 0.793 4.962 4.170 -0.001 0.000 0.313 1215 I C -0.631 175.339 176.117 -0.246 0.000 1.122 1215 I CA -1.052 60.085 61.300 -0.270 0.000 0.987 1215 I CB 2.675 40.531 38.000 -0.239 0.000 1.236 1215 I HN 0.525 nan 8.210 nan 0.000 0.453 1216 H N -0.434 118.436 119.070 -0.335 0.000 3.037 1216 H HA 0.457 5.012 4.556 -0.001 0.000 0.336 1216 H C -2.302 172.743 175.328 -0.473 0.000 1.323 1216 H CA -1.010 54.836 56.048 -0.337 0.000 1.159 1216 H CB 1.156 30.786 29.762 -0.219 0.000 1.882 1216 H HN 0.606 nan 8.280 nan 0.000 0.535 1217 Y N 0.621 120.824 120.300 -0.163 0.000 2.330 1217 Y HA 0.458 5.007 4.550 -0.001 0.000 0.336 1217 Y C -0.107 175.614 175.900 -0.299 0.000 1.036 1217 Y CA -0.390 57.584 58.100 -0.211 0.000 1.125 1217 Y CB 1.564 39.894 38.460 -0.216 0.000 1.194 1217 Y HN 0.592 nan 8.280 nan 0.000 0.469 1218 c N 2.419 120.943 118.600 -0.127 0.000 2.493 1218 c HA 0.795 5.364 4.570 -0.001 0.000 0.326 1218 c C 0.305 174.368 174.090 -0.045 0.000 1.200 1218 c CA -1.284 54.954 56.329 -0.153 0.000 1.739 1218 c CB 0.749 43.138 42.510 -0.202 0.000 2.300 1218 c HN 0.939 nan 8.230 nan 0.000 0.500 1219 A N 4.893 127.697 122.820 -0.027 0.000 2.492 1219 A HA 0.548 4.868 4.320 -0.001 0.000 0.254 1219 A C -1.780 175.832 177.584 0.047 0.000 1.091 1219 A CA -0.384 51.670 52.037 0.028 0.000 0.768 1219 A CB -0.312 18.720 19.000 0.053 0.000 1.028 1219 A HN 0.759 nan 8.150 nan 0.000 0.498 1220 P HA 0.424 nan 4.420 nan 0.000 0.280 1220 P C -0.172 177.222 177.300 0.155 0.000 1.272 1220 P CA -0.373 62.785 63.100 0.097 0.000 0.819 1220 P CB 0.953 32.704 31.700 0.085 0.000 1.122 1221 A N 0.046 122.936 122.820 0.116 0.000 2.567 1221 A HA 0.383 4.702 4.320 -0.001 0.000 0.240 1221 A C 1.446 179.088 177.584 0.097 0.000 1.053 1221 A CA 0.987 53.074 52.037 0.084 0.000 0.755 1221 A CB -1.655 17.376 19.000 0.051 0.000 0.978 1221 A HN 0.923 nan 8.150 nan 0.000 0.507 1222 G N 0.806 109.594 108.800 -0.020 0.000 2.217 1222 G HA2 -0.229 3.731 3.960 -0.001 0.000 0.246 1222 G HA3 -0.229 3.731 3.960 -0.001 0.000 0.246 1222 G C 0.004 174.625 174.900 -0.466 0.000 0.990 1222 G CA 0.504 45.462 45.100 -0.236 0.000 0.627 1222 G HN 0.828 nan 8.290 nan 0.000 0.522 1223 F N 0.776 120.721 119.950 -0.007 0.000 2.598 1223 F HA 0.842 5.369 4.527 -0.001 0.000 0.327 1223 F C 0.424 176.219 175.800 -0.008 0.000 1.057 1223 F CA -0.326 57.668 58.000 -0.009 0.000 0.957 1223 F CB 2.265 41.260 39.000 -0.010 0.000 1.278 1223 F HN 0.413 nan 8.300 nan 0.000 0.484 1224 A N 1.372 124.316 122.820 0.206 0.000 2.498 1224 A HA 0.833 5.153 4.320 -0.001 0.000 0.298 1224 A C -1.404 176.244 177.584 0.107 0.000 1.075 1224 A CA -0.618 51.487 52.037 0.114 0.000 0.714 1224 A CB 1.206 20.245 19.000 0.065 0.000 1.299 1224 A HN 0.675 nan 8.150 nan 0.000 0.407 1225 I N 2.113 122.738 120.570 0.092 0.000 2.339 1225 I HA 0.266 4.435 4.170 -0.001 0.000 0.290 1225 I C -0.950 175.252 176.117 0.141 0.000 0.994 1225 I CA -0.638 60.729 61.300 0.112 0.000 1.191 1225 I CB 1.326 39.392 38.000 0.110 0.000 1.343 1225 I HN 0.408 nan 8.210 nan 0.000 0.458 1226 L N 7.057 128.363 121.223 0.139 0.000 2.379 1226 L HA 0.456 4.795 4.340 -0.001 0.000 0.269 1226 L C -0.033 176.988 176.870 0.253 0.000 1.084 1226 L CA -0.299 54.638 54.840 0.162 0.000 0.802 1226 L CB 1.008 43.128 42.059 0.102 0.000 1.175 1226 L HN 0.480 nan 8.230 nan 0.000 0.448 1227 K N 1.690 122.182 120.400 0.153 0.000 2.507 1227 K HA 0.363 4.682 4.320 -0.001 0.000 0.252 1227 K C -1.389 175.063 176.600 -0.248 0.000 0.943 1227 K CA -0.481 55.759 56.287 -0.078 0.000 0.808 1227 K CB 1.523 33.943 32.500 -0.134 0.000 1.142 1227 K HN 0.674 nan 8.250 nan 0.000 0.426 1228 c N 4.483 122.712 118.600 -0.619 0.000 2.415 1228 c HA 0.381 4.951 4.570 -0.001 0.000 0.369 1228 c C 0.600 174.304 174.090 -0.643 0.000 1.279 1228 c CA -0.382 55.385 56.329 -0.937 0.000 1.886 1228 c CB -0.605 40.701 42.510 -2.005 0.000 2.468 1228 c HN 0.921 nan 8.230 nan 0.000 0.553 1229 N N 2.502 120.937 118.700 -0.443 0.000 2.184 1229 N HA 0.069 4.809 4.740 -0.001 0.000 0.206 1229 N C -0.563 174.824 175.510 -0.205 0.000 1.151 1229 N CA -0.129 52.758 53.050 -0.270 0.000 0.878 1229 N CB 0.180 38.560 38.487 -0.177 0.000 1.014 1229 N HN 0.734 nan 8.380 nan 0.000 0.512 1230 D N 2.275 122.516 120.400 -0.264 0.000 2.525 1230 D HA -0.015 4.625 4.640 -0.001 0.000 0.235 1230 D C 0.565 176.847 176.300 -0.031 0.000 1.137 1230 D CA 0.802 54.723 54.000 -0.131 0.000 0.868 1230 D CB 1.151 41.877 40.800 -0.123 0.000 1.180 1230 D HN -0.016 nan 8.370 nan 0.000 0.465 1231 K N 1.718 122.115 120.400 -0.005 0.000 2.448 1231 K HA -0.039 4.281 4.320 -0.001 0.000 0.278 1231 K C 0.670 177.308 176.600 0.063 0.000 1.009 1231 K CA 0.034 56.333 56.287 0.021 0.000 0.995 1231 K CB 0.438 32.943 32.500 0.007 0.000 0.917 1231 K HN 0.403 nan 8.250 nan 0.000 0.481 1232 K N 2.377 122.821 120.400 0.074 0.000 3.148 1232 K HA -0.200 4.119 4.320 -0.001 0.000 0.267 1232 K C -0.554 176.128 176.600 0.136 0.000 0.996 1232 K CA -0.087 56.245 56.287 0.075 0.000 0.737 1232 K CB -1.034 31.485 32.500 0.031 0.000 1.308 1232 K HN 0.471 nan 8.250 nan 0.000 0.470 1233 F N 1.279 121.237 119.950 0.012 0.000 2.623 1233 F HA -0.015 4.512 4.527 -0.001 0.000 0.383 1233 F C 1.358 177.175 175.800 0.029 0.000 1.077 1233 F CA 0.608 58.619 58.000 0.019 0.000 1.268 1233 F CB 0.436 39.460 39.000 0.039 0.000 1.053 1233 F HN 0.277 nan 8.300 nan 0.000 0.571 1234 N N 3.130 121.565 118.700 -0.441 0.000 2.354 1234 N HA 0.030 4.770 4.740 -0.001 0.000 0.179 1234 N C 1.489 176.583 175.510 -0.693 0.000 1.021 1234 N CA 1.445 54.237 53.050 -0.431 0.000 0.887 1234 N CB -0.090 38.282 38.487 -0.192 0.000 0.974 1234 N HN 0.930 nan 8.380 nan 0.000 0.437 1235 G N -2.099 105.662 108.800 -1.731 0.000 2.175 1235 G HA2 -0.206 3.754 3.960 -0.001 0.000 0.244 1235 G HA3 -0.206 3.754 3.960 -0.001 0.000 0.244 1235 G C 0.100 174.775 174.900 -0.375 0.000 0.982 1235 G CA 0.584 45.093 45.100 -0.986 0.000 0.641 1235 G HN 0.482 nan 8.290 nan 0.000 0.527 1236 T N -0.328 114.053 114.554 -0.289 0.000 2.903 1236 T HA 0.809 5.158 4.350 -0.001 0.000 0.299 1236 T C 0.534 175.347 174.700 0.187 0.000 1.093 1236 T CA 0.938 63.098 62.100 0.099 0.000 1.002 1236 T CB 1.826 70.782 68.868 0.146 0.000 1.127 1236 T HN 2.120 nan 8.240 nan 0.000 0.488 1237 G N 2.935 111.887 108.800 0.253 0.000 2.698 1237 G HA2 -0.066 3.894 3.960 -0.001 0.000 0.225 1237 G HA3 -0.066 3.894 3.960 -0.001 0.000 0.225 1237 G C -3.136 171.958 174.900 0.324 0.000 1.345 1237 G CA -0.951 44.294 45.100 0.242 0.000 0.871 1237 G HN 0.673 nan 8.290 nan 0.000 0.540 1238 P HA 0.449 nan 4.420 nan 0.000 0.279 1238 P C -0.246 177.161 177.300 0.178 0.000 1.239 1238 P CA -0.146 63.087 63.100 0.222 0.000 0.789 1238 P CB 1.575 33.359 31.700 0.140 0.000 0.933 1239 c N 3.057 121.730 118.600 0.122 0.000 2.319 1239 c HA 0.326 4.896 4.570 -0.001 0.000 0.335 1239 c C 2.075 176.135 174.090 -0.049 0.000 1.274 1239 c CA 0.077 56.341 56.329 -0.110 0.000 1.806 1239 c CB -0.226 42.010 42.510 -0.457 0.000 2.329 1239 c HN 0.662 nan 8.230 nan 0.000 0.524 1240 T N 3.207 117.721 114.554 -0.068 0.000 2.732 1240 T HA -0.014 4.335 4.350 -0.001 0.000 0.261 1240 T C 0.725 175.392 174.700 -0.055 0.000 1.040 1240 T CA 1.331 63.409 62.100 -0.037 0.000 1.145 1240 T CB -0.166 68.685 68.868 -0.027 0.000 0.866 1240 T HN 0.715 nan 8.240 nan 0.000 0.427 1241 N N 2.116 120.756 118.700 -0.100 0.000 2.589 1241 N HA 0.396 5.135 4.740 -0.001 0.000 0.232 1241 N C -1.363 174.066 175.510 -0.134 0.000 1.015 1241 N CA 0.017 53.010 53.050 -0.096 0.000 0.931 1241 N CB 1.805 40.236 38.487 -0.093 0.000 1.150 1241 N HN 0.096 nan 8.380 nan 0.000 0.512 1242 V N 1.911 121.779 119.914 -0.077 0.000 2.581 1242 V HA 0.614 4.734 4.120 -0.001 0.000 0.303 1242 V C 0.090 176.171 176.094 -0.022 0.000 1.041 1242 V CA -0.287 61.981 62.300 -0.053 0.000 0.907 1242 V CB 1.705 33.556 31.823 0.047 0.000 0.994 1242 V HN 0.702 nan 8.190 nan 0.000 0.442 1243 S N 3.977 119.666 115.700 -0.018 0.000 2.810 1243 S HA 0.760 5.229 4.470 -0.001 0.000 0.315 1243 S C -0.396 174.224 174.600 0.033 0.000 1.138 1243 S CA -0.374 57.826 58.200 0.000 0.000 0.889 1243 S CB 2.017 65.207 63.200 -0.016 0.000 1.236 1243 S HN 1.086 nan 8.310 nan 0.000 0.548 1244 T N 0.362 114.938 114.554 0.038 0.000 2.921 1244 T HA 0.628 4.977 4.350 -0.001 0.000 0.297 1244 T C -0.977 173.758 174.700 0.059 0.000 1.013 1244 T CA -0.322 61.812 62.100 0.057 0.000 0.990 1244 T CB 0.731 69.626 68.868 0.044 0.000 1.023 1244 T HN 1.551 nan 8.240 nan 0.000 0.447 1245 V N 3.390 123.355 119.914 0.084 0.000 2.960 1245 V HA 0.676 4.795 4.120 -0.001 0.000 0.315 1245 V C 1.010 177.131 176.094 0.046 0.000 1.087 1245 V CA -0.796 61.549 62.300 0.075 0.000 0.982 1245 V CB 1.809 33.706 31.823 0.125 0.000 1.039 1245 V HN 0.812 nan 8.190 nan 0.000 0.437 1246 Q N 1.119 120.928 119.800 0.014 0.000 2.212 1246 Q HA 0.230 4.570 4.340 -0.001 0.000 0.199 1246 Q C 0.300 176.254 176.000 -0.077 0.000 0.950 1246 Q CA 1.421 57.213 55.803 -0.018 0.000 0.863 1246 Q CB -0.115 28.608 28.738 -0.025 0.000 0.944 1246 Q HN 0.955 nan 8.270 nan 0.000 0.465 1247 c N -0.599 117.935 118.600 -0.111 0.000 3.171 1247 c HA 0.661 5.230 4.570 -0.001 0.000 0.308 1247 c C 0.057 174.053 174.090 -0.157 0.000 1.334 1247 c CA -0.553 55.626 56.329 -0.251 0.000 1.473 1247 c CB 1.240 43.389 42.510 -0.602 0.000 1.866 1247 c HN 0.531 nan 8.230 nan 0.000 0.465 1248 T N -0.747 113.645 114.554 -0.270 0.000 2.754 1248 T HA 0.332 4.682 4.350 -0.001 0.000 0.286 1248 T C 0.360 175.034 174.700 -0.044 0.000 0.997 1248 T CA -0.084 61.798 62.100 -0.363 0.000 0.982 1248 T CB 0.184 68.550 68.868 -0.837 0.000 1.027 1248 T HN 0.878 nan 8.240 nan 0.000 0.529 1249 H N -0.553 118.584 119.070 0.113 0.000 2.730 1249 H HA 0.319 4.874 4.556 -0.001 0.000 0.376 1249 H C 0.764 176.169 175.328 0.127 0.000 1.299 1249 H CA -0.507 55.631 56.048 0.151 0.000 1.447 1249 H CB -0.537 29.331 29.762 0.178 0.000 1.493 1249 H HN 0.923 nan 8.280 nan 0.000 0.619 1250 G N 0.412 109.273 108.800 0.101 0.000 2.378 1250 G HA2 0.426 4.385 3.960 -0.001 0.000 0.255 1250 G HA3 0.426 4.385 3.960 -0.001 0.000 0.255 1250 G C -0.252 174.624 174.900 -0.040 0.000 1.270 1250 G CA -0.598 44.488 45.100 -0.022 0.000 0.876 1250 G HN 0.605 nan 8.290 nan 0.000 0.521 1251 I N 1.835 122.340 120.570 -0.109 0.000 2.465 1251 I HA 0.370 4.539 4.170 -0.001 0.000 0.291 1251 I C 0.078 176.186 176.117 -0.016 0.000 1.014 1251 I CA -0.833 60.442 61.300 -0.041 0.000 1.093 1251 I CB 2.432 40.385 38.000 -0.077 0.000 1.267 1251 I HN 0.357 nan 8.210 nan 0.000 0.431 1252 R N 6.054 126.578 120.500 0.038 0.000 2.666 1252 R HA 0.300 4.640 4.340 -0.001 0.000 0.275 1252 R C -2.450 173.896 176.300 0.077 0.000 1.266 1252 R CA -1.616 54.505 56.100 0.034 0.000 1.401 1252 R CB 0.138 30.460 30.300 0.036 0.000 1.145 1252 R HN 0.348 nan 8.270 nan 0.000 0.581 1253 P HA -0.046 nan 4.420 nan 0.000 0.264 1253 P C -0.408 177.021 177.300 0.215 0.000 1.183 1253 P CA 0.197 63.374 63.100 0.129 0.000 0.763 1253 P CB 1.044 32.715 31.700 -0.048 0.000 0.807 1254 V N 4.016 124.128 119.914 0.330 0.000 2.686 1254 V HA 0.163 4.282 4.120 -0.001 0.000 0.306 1254 V C 0.181 176.416 176.094 0.236 0.000 1.065 1254 V CA -0.864 61.591 62.300 0.258 0.000 0.894 1254 V CB 2.432 34.348 31.823 0.155 0.000 1.004 1254 V HN 0.267 nan 8.190 nan 0.000 0.424 1255 V N 4.733 124.753 119.914 0.177 0.000 2.385 1255 V HA 0.726 4.846 4.120 -0.001 0.000 0.269 1255 V C 0.325 176.400 176.094 -0.033 0.000 1.043 1255 V CA 0.304 62.539 62.300 -0.108 0.000 0.906 1255 V CB 1.026 32.676 31.823 -0.288 0.000 0.995 1255 V HN 1.132 nan 8.190 nan 0.000 0.467 1256 S N 3.249 118.883 115.700 -0.109 0.000 2.636 1256 S HA 0.798 5.268 4.470 -0.001 0.000 0.268 1256 S C -0.589 174.003 174.600 -0.013 0.000 1.159 1256 S CA -0.358 57.864 58.200 0.038 0.000 0.815 1256 S CB 2.359 65.653 63.200 0.157 0.000 1.130 1256 S HN 0.853 nan 8.310 nan 0.000 0.471 1257 T N -1.593 113.022 114.554 0.103 0.000 2.907 1257 T HA 0.714 5.064 4.350 -0.001 0.000 0.292 1257 T C 0.349 175.115 174.700 0.110 0.000 1.043 1257 T CA -0.102 62.035 62.100 0.063 0.000 1.003 1257 T CB 1.520 70.421 68.868 0.057 0.000 1.084 1257 T HN 0.960 nan 8.240 nan 0.000 0.483 1258 Q N -0.420 119.384 119.800 0.007 0.000 2.171 1258 Q HA -0.223 4.117 4.340 -0.001 0.000 0.177 1258 Q C -0.236 175.736 176.000 -0.047 0.000 2.915 1258 Q CA 1.656 57.431 55.803 -0.047 0.000 0.195 1258 Q CB -1.514 27.192 28.738 -0.054 0.000 0.201 1258 Q HN 0.724 nan 8.270 nan 0.000 0.378 1259 L N 1.901 123.038 121.223 -0.144 0.000 2.295 1259 L HA 0.500 4.840 4.340 -0.001 0.000 0.285 1259 L C -0.143 176.675 176.870 -0.086 0.000 1.035 1259 L CA -0.576 54.160 54.840 -0.173 0.000 0.806 1259 L CB 1.030 42.793 42.059 -0.494 0.000 1.214 1259 L HN 0.132 nan 8.230 nan 0.000 0.426 1260 L N 4.897 126.095 121.223 -0.042 0.000 2.265 1260 L HA 0.424 4.764 4.340 -0.001 0.000 0.288 1260 L C -0.403 176.455 176.870 -0.019 0.000 1.058 1260 L CA -0.211 54.618 54.840 -0.018 0.000 0.809 1260 L CB 0.788 42.846 42.059 -0.002 0.000 1.179 1260 L HN 0.420 nan 8.230 nan 0.000 0.429 1261 L N 4.526 125.740 121.223 -0.015 0.000 2.317 1261 L HA 0.433 4.773 4.340 -0.001 0.000 0.281 1261 L C 0.273 177.145 176.870 0.003 0.000 1.024 1261 L CA -0.713 54.104 54.840 -0.039 0.000 0.810 1261 L CB 1.281 43.274 42.059 -0.111 0.000 1.240 1261 L HN 0.641 nan 8.230 nan 0.000 0.427 1262 N N 0.890 119.588 118.700 -0.002 0.000 2.741 1262 N HA -0.151 4.588 4.740 -0.001 0.000 0.250 1262 N C 0.099 175.647 175.510 0.064 0.000 1.115 1262 N CA 1.061 54.125 53.050 0.024 0.000 0.724 1262 N CB -1.151 37.350 38.487 0.023 0.000 1.090 1262 N HN 0.952 nan 8.380 nan 0.000 0.558 1263 G N -1.363 107.480 108.800 0.072 0.000 2.531 1263 G HA2 0.579 4.539 3.960 -0.001 0.000 0.281 1263 G HA3 0.579 4.539 3.960 -0.001 0.000 0.281 1263 G C -0.209 174.754 174.900 0.105 0.000 1.382 1263 G CA -0.222 44.947 45.100 0.114 0.000 1.045 1263 G HN 0.141 nan 8.290 nan 0.000 0.533 1264 S N -0.653 115.125 115.700 0.130 0.000 2.562 1264 S HA 0.428 4.897 4.470 -0.001 0.000 0.275 1264 S C 0.084 174.720 174.600 0.060 0.000 1.281 1264 S CA -0.349 57.900 58.200 0.082 0.000 1.045 1264 S CB 0.912 64.142 63.200 0.050 0.000 0.962 1264 S HN 0.340 nan 8.310 nan 0.000 0.503 1265 L N 1.981 123.224 121.223 0.032 0.000 2.375 1265 L HA 0.610 4.949 4.340 -0.001 0.000 0.268 1265 L C 0.596 177.478 176.870 0.020 0.000 1.058 1265 L CA -0.899 53.952 54.840 0.018 0.000 0.803 1265 L CB 0.755 42.817 42.059 0.005 0.000 1.212 1265 L HN 0.676 nan 8.230 nan 0.000 0.451 1266 A N 0.920 123.746 122.820 0.010 0.000 2.401 1266 A HA 0.220 4.540 4.320 -0.001 0.000 0.259 1266 A C 1.003 178.590 177.584 0.005 0.000 1.103 1266 A CA -0.429 51.617 52.037 0.015 0.000 0.789 1266 A CB 0.266 19.263 19.000 -0.006 0.000 1.035 1266 A HN 0.913 nan 8.150 nan 0.000 0.491 1267 E N 2.184 122.390 120.200 0.010 0.000 2.006 1267 E HA -0.176 4.174 4.350 -0.001 0.000 0.192 1267 E C 0.605 177.202 176.600 -0.005 0.000 0.993 1267 E CA 1.125 57.524 56.400 -0.001 0.000 0.808 1267 E CB -0.367 29.331 29.700 -0.003 0.000 0.764 1267 E HN 0.739 nan 8.360 nan 0.000 0.449 1268 E N 1.582 121.780 120.200 -0.003 0.000 1.989 1268 E HA -0.011 4.338 4.350 -0.001 0.000 0.214 1268 E C 0.819 177.410 176.600 -0.015 0.000 0.915 1268 E CA 0.990 57.386 56.400 -0.008 0.000 1.012 1268 E CB -0.123 29.574 29.700 -0.005 0.000 0.865 1268 E HN 0.335 nan 8.360 nan 0.000 0.577 1269 E N -0.083 120.106 120.200 -0.019 0.000 2.396 1269 E HA 0.440 4.790 4.350 -0.001 0.000 0.251 1269 E C 0.090 176.668 176.600 -0.035 0.000 0.949 1269 E CA -0.838 55.544 56.400 -0.029 0.000 0.834 1269 E CB 1.227 30.908 29.700 -0.031 0.000 1.309 1269 E HN 0.085 nan 8.360 nan 0.000 0.405 1270 I N 1.393 121.933 120.570 -0.049 0.000 2.815 1270 I HA -0.020 4.150 4.170 -0.001 0.000 0.291 1270 I C -0.407 175.679 176.117 -0.051 0.000 1.209 1270 I CA 0.348 61.613 61.300 -0.059 0.000 1.431 1270 I CB 0.196 38.148 38.000 -0.080 0.000 1.351 1270 I HN 0.087 nan 8.210 nan 0.000 0.585 1271 V N 6.925 126.807 119.914 -0.053 0.000 2.760 1271 V HA 0.463 4.583 4.120 -0.001 0.000 0.309 1271 V C -0.204 175.871 176.094 -0.031 0.000 1.077 1271 V CA -0.637 61.635 62.300 -0.047 0.000 0.910 1271 V CB 1.977 33.760 31.823 -0.067 0.000 1.008 1271 V HN 0.543 nan 8.190 nan 0.000 0.424 1272 I N 1.784 122.370 120.570 0.028 0.000 2.493 1272 I HA 0.819 4.989 4.170 -0.001 0.000 0.298 1272 I C -0.441 175.822 176.117 0.244 0.000 0.998 1272 I CA -0.726 60.651 61.300 0.128 0.000 1.137 1272 I CB 1.892 40.014 38.000 0.203 0.000 1.310 1272 I HN 0.499 nan 8.210 nan 0.000 0.445 1273 R N 3.158 123.771 120.500 0.188 0.000 2.673 1273 R HA 0.712 5.051 4.340 -0.001 0.000 0.281 1273 R C -1.215 175.100 176.300 0.025 0.000 0.991 1273 R CA -0.801 55.403 56.100 0.173 0.000 0.896 1273 R CB 2.388 32.738 30.300 0.082 0.000 1.201 1273 R HN 0.824 nan 8.270 nan 0.000 0.457 1274 S N 0.123 115.634 115.700 -0.316 0.000 2.533 1274 S HA 0.062 4.532 4.470 -0.001 0.000 0.271 1274 S C 0.432 174.408 174.600 -1.040 0.000 1.143 1274 S CA -0.695 57.013 58.200 -0.820 0.000 0.891 1274 S CB 1.889 64.271 63.200 -1.364 0.000 1.105 1274 S HN 0.820 nan 8.310 nan 0.000 0.468 1275 E N 2.456 121.484 120.200 -1.953 0.000 2.267 1275 E HA -0.116 4.234 4.350 -0.001 0.000 0.197 1275 E C 0.176 176.338 176.600 -0.731 0.000 0.998 1275 E CA 1.021 56.392 56.400 -1.715 0.000 0.830 1275 E CB 0.128 28.889 29.700 -1.564 0.000 0.751 1275 E HN 0.469 nan 8.360 nan 0.000 0.491 1276 N N -1.192 117.137 118.700 -0.618 0.000 3.193 1276 N HA -0.014 4.726 4.740 -0.001 0.000 0.234 1276 N C -0.802 174.561 175.510 -0.246 0.000 1.267 1276 N CA -0.325 52.537 53.050 -0.312 0.000 0.875 1276 N CB -0.274 38.084 38.487 -0.214 0.000 1.592 1276 N HN -0.040 nan 8.380 nan 0.000 0.648 1277 F N 0.962 120.845 119.950 -0.112 0.000 2.269 1277 F HA -0.088 4.439 4.527 -0.001 0.000 0.301 1277 F C 2.260 178.115 175.800 0.092 0.000 1.082 1277 F CA 1.339 59.326 58.000 -0.022 0.000 1.360 1277 F CB 0.157 39.010 39.000 -0.246 0.000 1.041 1277 F HN 0.407 nan 8.300 nan 0.000 0.512 1278 T N -1.332 113.326 114.554 0.173 0.000 2.951 1278 T HA -0.144 4.206 4.350 -0.001 0.000 0.268 1278 T C 0.997 175.756 174.700 0.097 0.000 1.073 1278 T CA 0.569 62.758 62.100 0.147 0.000 1.134 1278 T CB -0.360 68.550 68.868 0.069 0.000 0.884 1278 T HN -0.015 nan 8.240 nan 0.000 0.479 1279 N N 3.110 121.830 118.700 0.034 0.000 2.482 1279 N HA 0.017 4.757 4.740 -0.001 0.000 0.242 1279 N C 0.919 176.427 175.510 -0.004 0.000 1.100 1279 N CA -0.300 52.744 53.050 -0.010 0.000 0.946 1279 N CB 0.162 38.609 38.487 -0.067 0.000 1.227 1279 N HN 0.279 nan 8.380 nan 0.000 0.508 1280 N N 2.928 121.635 118.700 0.013 0.000 2.588 1280 N HA -0.158 4.582 4.740 -0.001 0.000 0.190 1280 N C 0.778 176.272 175.510 -0.026 0.000 1.094 1280 N CA 0.740 53.788 53.050 -0.002 0.000 0.921 1280 N CB -0.014 38.454 38.487 -0.032 0.000 0.959 1280 N HN 0.408 nan 8.380 nan 0.000 0.448 1281 A N -0.007 122.790 122.820 -0.038 0.000 2.147 1281 A HA 0.089 4.409 4.320 -0.001 0.000 0.211 1281 A C 0.788 178.332 177.584 -0.066 0.000 1.160 1281 A CA 0.082 52.092 52.037 -0.045 0.000 0.781 1281 A CB 0.092 19.067 19.000 -0.042 0.000 0.842 1281 A HN 0.002 nan 8.150 nan 0.000 0.475 1282 K N 2.004 122.342 120.400 -0.103 0.000 2.312 1282 K HA 0.248 4.567 4.320 -0.001 0.000 0.287 1282 K C -0.463 176.046 176.600 -0.152 0.000 1.062 1282 K CA 0.070 56.250 56.287 -0.179 0.000 0.934 1282 K CB 0.487 32.801 32.500 -0.309 0.000 1.027 1282 K HN 0.166 nan 8.250 nan 0.000 0.478 1283 T N 3.937 118.426 114.554 -0.110 0.000 2.902 1283 T HA 0.122 4.472 4.350 -0.001 0.000 0.301 1283 T C 0.912 175.585 174.700 -0.046 0.000 1.012 1283 T CA 0.028 62.105 62.100 -0.038 0.000 1.151 1283 T CB 0.194 69.070 68.868 0.014 0.000 0.946 1283 T HN 0.294 nan 8.240 nan 0.000 0.542 1284 I N 4.359 124.936 120.570 0.011 0.000 2.325 1284 I HA 0.289 4.458 4.170 -0.001 0.000 0.291 1284 I C 0.232 176.393 176.117 0.074 0.000 1.019 1284 I CA -0.386 60.930 61.300 0.026 0.000 1.302 1284 I CB 0.747 38.840 38.000 0.155 0.000 1.401 1284 I HN 0.468 nan 8.210 nan 0.000 0.485 1285 I N 7.378 128.006 120.570 0.097 0.000 2.312 1285 I HA 0.249 4.419 4.170 -0.001 0.000 0.290 1285 I C -0.265 175.869 176.117 0.029 0.000 1.008 1285 I CA -0.561 60.777 61.300 0.064 0.000 1.226 1285 I CB 1.350 39.386 38.000 0.061 0.000 1.371 1285 I HN 0.204 nan 8.210 nan 0.000 0.468 1286 V N 6.649 126.569 119.914 0.009 0.000 2.427 1286 V HA 0.304 4.424 4.120 -0.001 0.000 0.286 1286 V C -0.063 176.006 176.094 -0.041 0.000 1.034 1286 V CA -0.507 61.783 62.300 -0.017 0.000 0.893 1286 V CB 1.610 33.413 31.823 -0.033 0.000 0.982 1286 V HN 0.721 nan 8.190 nan 0.000 0.452 1287 Q N 4.420 124.185 119.800 -0.058 0.000 2.327 1287 Q HA 0.567 4.907 4.340 -0.001 0.000 0.270 1287 Q C -1.351 174.616 176.000 -0.055 0.000 1.022 1287 Q CA -0.618 55.152 55.803 -0.054 0.000 0.773 1287 Q CB 1.600 30.292 28.738 -0.077 0.000 1.251 1287 Q HN 0.711 nan 8.270 nan 0.000 0.457 1288 L N 2.952 124.145 121.223 -0.049 0.000 2.439 1288 L HA 0.265 4.604 4.340 -0.001 0.000 0.261 1288 L C 1.158 178.005 176.870 -0.039 0.000 1.153 1288 L CA -0.480 54.324 54.840 -0.059 0.000 0.808 1288 L CB 0.435 42.456 42.059 -0.062 0.000 1.126 1288 L HN 0.769 nan 8.230 nan 0.000 0.460 1289 N N 0.049 118.723 118.700 -0.044 0.000 2.205 1289 N HA 0.046 4.786 4.740 -0.001 0.000 0.201 1289 N C -0.311 175.182 175.510 -0.028 0.000 1.128 1289 N CA -0.081 52.951 53.050 -0.030 0.000 0.867 1289 N CB 0.772 39.240 38.487 -0.031 0.000 0.996 1289 N HN 0.706 nan 8.380 nan 0.000 0.503 1290 E N 0.167 120.346 120.200 -0.034 0.000 2.307 1290 E HA 0.291 4.640 4.350 -0.001 0.000 0.280 1290 E C -1.289 175.296 176.600 -0.024 0.000 0.900 1290 E CA -0.355 56.028 56.400 -0.028 0.000 0.790 1290 E CB 1.390 31.068 29.700 -0.036 0.000 1.261 1290 E HN 0.016 nan 8.360 nan 0.000 0.405 1291 S N 1.604 117.297 115.700 -0.012 0.000 2.576 1291 S HA 0.275 4.744 4.470 -0.001 0.000 0.276 1291 S C -0.349 174.252 174.600 0.003 0.000 1.339 1291 S CA -0.522 57.676 58.200 -0.004 0.000 1.039 1291 S CB 1.164 64.362 63.200 -0.004 0.000 0.902 1291 S HN 0.340 nan 8.310 nan 0.000 0.516 1292 V N 3.495 123.422 119.914 0.021 0.000 2.378 1292 V HA 0.286 4.406 4.120 -0.001 0.000 0.288 1292 V C -0.097 176.000 176.094 0.005 0.000 1.016 1292 V CA -0.773 61.552 62.300 0.041 0.000 0.840 1292 V CB 1.538 33.444 31.823 0.139 0.000 0.994 1292 V HN 0.661 nan 8.190 nan 0.000 0.431 1293 V N 6.463 126.370 119.914 -0.011 0.000 2.488 1293 V HA 0.357 4.476 4.120 -0.001 0.000 0.277 1293 V C 0.021 176.081 176.094 -0.057 0.000 1.046 1293 V CA -0.010 62.269 62.300 -0.035 0.000 0.986 1293 V CB 1.412 33.219 31.823 -0.027 0.000 0.989 1293 V HN 0.756 nan 8.190 nan 0.000 0.475 1294 I N 5.636 126.154 120.570 -0.086 0.000 2.448 1294 I HA 0.483 4.653 4.170 -0.001 0.000 0.281 1294 I C -0.745 175.311 176.117 -0.101 0.000 1.027 1294 I CA -0.433 60.803 61.300 -0.106 0.000 1.111 1294 I CB 1.043 38.951 38.000 -0.152 0.000 1.236 1294 I HN 0.546 nan 8.210 nan 0.000 0.452 1295 N N 6.713 125.375 118.700 -0.063 0.000 2.421 1295 N HA 0.440 5.180 4.740 -0.001 0.000 0.285 1295 N C -1.215 174.289 175.510 -0.011 0.000 1.027 1295 N CA -0.300 52.724 53.050 -0.044 0.000 0.918 1295 N CB 1.804 40.278 38.487 -0.022 0.000 1.152 1295 N HN 0.466 nan 8.380 nan 0.000 0.485 1296 c N 0.104 118.700 118.600 -0.008 0.000 2.435 1296 c HA 0.458 5.027 4.570 -0.001 0.000 0.333 1296 c C 1.778 175.939 174.090 0.117 0.000 1.202 1296 c CA -0.646 55.727 56.329 0.073 0.000 1.830 1296 c CB 1.396 43.931 42.510 0.042 0.000 2.326 1296 c HN 0.763 nan 8.230 nan 0.000 0.507 1297 T N 0.033 114.689 114.554 0.171 0.000 3.069 1297 T HA 0.261 4.610 4.350 -0.001 0.000 0.252 1297 T C 1.515 176.326 174.700 0.185 0.000 1.053 1297 T CA 1.252 63.443 62.100 0.151 0.000 0.964 1297 T CB -0.531 68.413 68.868 0.126 0.000 1.005 1297 T HN 1.388 nan 8.240 nan 0.000 0.532 1298 G N 1.162 110.139 108.800 0.296 0.000 2.205 1298 G HA2 -0.230 3.730 3.960 -0.001 0.000 0.269 1298 G HA3 -0.230 3.730 3.960 -0.001 0.000 0.269 1298 G C 0.441 175.391 174.900 0.084 0.000 0.977 1298 G CA 0.548 45.787 45.100 0.232 0.000 0.652 1298 G HN 1.029 nan 8.290 nan 0.000 0.539 1330 H N -0.951 118.188 119.070 0.114 0.000 3.079 1330 H HA 0.515 5.071 4.556 -0.001 0.000 0.356 1330 H C -1.288 174.109 175.328 0.114 0.000 1.221 1330 H CA -0.439 55.669 56.048 0.101 0.000 1.185 1330 H CB 1.990 31.791 29.762 0.064 0.000 1.882 1330 H HN 0.122 nan 8.280 nan 0.000 0.543 1331 c N 2.457 121.200 118.600 0.239 0.000 2.396 1331 c HA 0.369 4.939 4.570 -0.001 0.000 0.321 1331 c C 0.070 174.200 174.090 0.065 0.000 1.233 1331 c CA -0.920 55.487 56.329 0.131 0.000 1.440 1331 c CB 0.612 43.190 42.510 0.112 0.000 2.110 1331 c HN 0.607 nan 8.230 nan 0.000 0.473 1332 N N 2.298 121.009 118.700 0.019 0.000 2.456 1332 N HA 0.765 5.505 4.740 -0.001 0.000 0.296 1332 N C -0.992 174.484 175.510 -0.057 0.000 1.102 1332 N CA -0.295 52.742 53.050 -0.021 0.000 0.924 1332 N CB 1.996 40.472 38.487 -0.018 0.000 1.186 1332 N HN 0.710 nan 8.380 nan 0.000 0.492 1333 L N -0.189 120.987 121.223 -0.079 0.000 2.466 1333 L HA 0.371 4.710 4.340 -0.001 0.000 0.258 1333 L C -0.311 176.523 176.870 -0.059 0.000 0.973 1333 L CA -0.630 54.149 54.840 -0.102 0.000 0.826 1333 L CB 2.097 44.025 42.059 -0.219 0.000 1.372 1333 L HN 0.447 nan 8.230 nan 0.000 0.409 1334 S N 2.566 118.255 115.700 -0.019 0.000 2.488 1334 S HA 0.094 4.563 4.470 -0.001 0.000 0.278 1334 S C 0.951 175.581 174.600 0.049 0.000 1.259 1334 S CA 0.053 58.261 58.200 0.014 0.000 1.061 1334 S CB 0.790 64.005 63.200 0.025 0.000 0.910 1334 S HN 0.814 nan 8.310 nan 0.000 0.491 1335 K N 3.480 123.904 120.400 0.041 0.000 2.057 1335 K HA -0.096 4.224 4.320 -0.001 0.000 0.207 1335 K C 1.754 178.411 176.600 0.095 0.000 1.049 1335 K CA 1.895 58.225 56.287 0.072 0.000 0.931 1335 K CB -0.466 32.065 32.500 0.051 0.000 0.714 1335 K HN 0.711 nan 8.250 nan 0.000 0.440 1336 T N 1.239 115.831 114.554 0.063 0.000 2.701 1336 T HA -0.133 4.216 4.350 -0.001 0.000 0.263 1336 T C 1.805 176.529 174.700 0.040 0.000 1.040 1336 T CA 1.332 63.463 62.100 0.051 0.000 1.147 1336 T CB -0.172 68.715 68.868 0.032 0.000 0.865 1336 T HN 0.354 nan 8.240 nan 0.000 0.426 1337 Q N -0.311 119.516 119.800 0.045 0.000 2.077 1337 Q HA -0.162 4.177 4.340 -0.001 0.000 0.206 1337 Q C 2.179 178.194 176.000 0.024 0.000 0.989 1337 Q CA 1.480 57.301 55.803 0.029 0.000 0.853 1337 Q CB -0.253 28.512 28.738 0.045 0.000 0.907 1337 Q HN 0.638 nan 8.270 nan 0.000 0.418 1338 W N 1.688 122.913 121.300 -0.125 0.000 2.354 1338 W HA -0.209 4.451 4.660 -0.001 0.000 0.315 1338 W C 1.952 178.334 176.519 -0.229 0.000 1.206 1338 W CA 1.424 58.654 57.345 -0.192 0.000 1.290 1338 W CB -0.074 29.264 29.460 -0.203 0.000 1.152 1338 W HN 0.203 nan 8.180 nan 0.000 0.489 1339 E N 0.869 121.024 120.200 -0.074 0.000 2.130 1339 E HA -0.258 4.092 4.350 -0.001 0.000 0.196 1339 E C 1.627 178.081 176.600 -0.243 0.000 0.998 1339 E CA 1.712 58.019 56.400 -0.155 0.000 0.806 1339 E CB -0.744 29.010 29.700 0.090 0.000 0.738 1339 E HN 0.518 nan 8.360 nan 0.000 0.459 1340 N N -0.871 117.732 118.700 -0.161 0.000 2.084 1340 N HA -0.121 4.619 4.740 -0.001 0.000 0.190 1340 N C 1.797 177.143 175.510 -0.273 0.000 1.030 1340 N CA 1.920 54.881 53.050 -0.148 0.000 0.849 1340 N CB -0.064 38.369 38.487 -0.090 0.000 1.012 1340 N HN 0.136 nan 8.380 nan 0.000 0.423 1341 T N 1.689 116.006 114.554 -0.396 0.000 2.652 1341 T HA -0.117 4.232 4.350 -0.001 0.000 0.267 1341 T C 2.026 176.324 174.700 -0.669 0.000 1.039 1341 T CA 0.868 62.653 62.100 -0.525 0.000 1.153 1341 T CB -0.498 67.940 68.868 -0.717 0.000 0.863 1341 T HN 0.136 nan 8.240 nan 0.000 0.428 1342 L N 0.694 121.337 121.223 -0.966 0.000 1.990 1342 L HA -0.194 4.146 4.340 -0.001 0.000 0.213 1342 L C 2.870 179.240 176.870 -0.833 0.000 1.072 1342 L CA 1.817 56.006 54.840 -1.085 0.000 0.755 1342 L CB -0.591 40.527 42.059 -1.569 0.000 0.889 1342 L HN 0.366 nan 8.230 nan 0.000 0.432 1343 E N -0.531 119.257 120.200 -0.686 0.000 2.058 1343 E HA -0.273 4.077 4.350 -0.001 0.000 0.194 1343 E C 2.304 178.819 176.600 -0.142 0.000 0.997 1343 E CA 1.226 57.487 56.400 -0.232 0.000 0.801 1343 E CB 0.100 29.818 29.700 0.031 0.000 0.746 1343 E HN 0.373 nan 8.360 nan 0.000 0.450 1344 Q N 0.231 119.917 119.800 -0.190 0.000 2.084 1344 Q HA -0.146 4.194 4.340 -0.001 0.000 0.202 1344 Q C 2.327 178.246 176.000 -0.135 0.000 0.978 1344 Q CA 1.218 56.938 55.803 -0.139 0.000 0.844 1344 Q CB -0.223 28.423 28.738 -0.153 0.000 0.898 1344 Q HN 0.487 nan 8.270 nan 0.000 0.426 1345 I N 0.280 120.734 120.570 -0.193 0.000 2.252 1345 I HA -0.235 3.935 4.170 -0.001 0.000 0.245 1345 I C 2.311 178.387 176.117 -0.068 0.000 1.102 1345 I CA 0.898 62.115 61.300 -0.139 0.000 1.385 1345 I CB -0.479 37.411 38.000 -0.184 0.000 1.064 1345 I HN 0.042 nan 8.210 nan 0.000 0.414 1346 A N 1.381 124.178 122.820 -0.038 0.000 1.908 1346 A HA -0.210 4.110 4.320 -0.001 0.000 0.218 1346 A C 2.320 179.905 177.584 0.001 0.000 1.181 1346 A CA 1.665 53.698 52.037 -0.007 0.000 0.627 1346 A CB -0.889 18.199 19.000 0.146 0.000 0.818 1346 A HN 0.385 nan 8.150 nan 0.000 0.445 1347 I N -0.637 119.934 120.570 0.002 0.000 2.163 1347 I HA -0.267 3.902 4.170 -0.001 0.000 0.243 1347 I C 2.319 178.424 176.117 -0.021 0.000 1.085 1347 I CA 1.444 62.743 61.300 0.000 0.000 1.347 1347 I CB -0.277 37.718 38.000 -0.008 0.000 1.044 1347 I HN 0.187 nan 8.210 nan 0.000 0.408 1348 K N 0.628 121.003 120.400 -0.043 0.000 2.211 1348 K HA -0.053 4.266 4.320 -0.001 0.000 0.203 1348 K C 2.057 178.624 176.600 -0.055 0.000 1.050 1348 K CA 1.080 57.334 56.287 -0.056 0.000 0.945 1348 K CB -0.309 32.154 32.500 -0.061 0.000 0.732 1348 K HN 0.369 nan 8.250 nan 0.000 0.451 1349 L N 1.239 122.442 121.223 -0.034 0.000 1.988 1349 L HA -0.186 4.154 4.340 -0.001 0.000 0.207 1349 L C 2.351 179.325 176.870 0.173 0.000 1.071 1349 L CA 1.484 56.349 54.840 0.042 0.000 0.744 1349 L CB -0.507 41.455 42.059 -0.161 0.000 0.893 1349 L HN 0.195 nan 8.230 nan 0.000 0.433 1350 K N 0.184 120.651 120.400 0.112 0.000 2.360 1350 K HA -0.236 4.083 4.320 -0.001 0.000 0.201 1350 K C 1.713 178.344 176.600 0.052 0.000 1.046 1350 K CA 1.535 57.896 56.287 0.124 0.000 0.940 1350 K CB -0.331 32.213 32.500 0.074 0.000 0.748 1350 K HN 0.380 nan 8.250 nan 0.000 0.465 1351 E N 0.633 120.827 120.200 -0.010 0.000 2.274 1351 E HA -0.140 4.210 4.350 -0.001 0.000 0.194 1351 E C 1.617 178.121 176.600 -0.160 0.000 0.996 1351 E CA 0.568 56.925 56.400 -0.072 0.000 0.840 1351 E CB 0.288 29.938 29.700 -0.083 0.000 0.772 1351 E HN 0.346 nan 8.360 nan 0.000 0.491 1352 Q N -0.914 118.746 119.800 -0.233 0.000 2.304 1352 Q HA 0.026 4.365 4.340 -0.001 0.000 0.204 1352 Q C 1.655 177.316 176.000 -0.565 0.000 0.936 1352 Q CA 0.798 56.262 55.803 -0.566 0.000 0.878 1352 Q CB 0.032 28.128 28.738 -1.070 0.000 0.983 1352 Q HN 0.330 nan 8.270 nan 0.000 0.516 1353 F N -0.150 119.746 119.950 -0.090 0.000 2.530 1353 F HA 0.370 4.897 4.527 -0.001 0.000 0.292 1353 F C 1.091 176.880 175.800 -0.019 0.000 1.109 1353 F CA 0.695 58.682 58.000 -0.022 0.000 1.450 1353 F CB 0.676 39.708 39.000 0.053 0.000 1.114 1353 F HN 0.027 nan 8.300 nan 0.000 0.560 1354 G N 0.119 109.002 108.800 0.139 0.000 2.282 1354 G HA2 -0.086 3.874 3.960 -0.001 0.000 0.274 1354 G HA3 -0.086 3.874 3.960 -0.001 0.000 0.274 1354 G C -0.403 174.533 174.900 0.061 0.000 1.718 1354 G CA -0.571 44.572 45.100 0.073 0.000 0.927 1354 G HN 0.081 nan 8.290 nan 0.000 0.733 1355 N N 0.302 119.020 118.700 0.029 0.000 2.396 1355 N HA -0.053 4.687 4.740 -0.001 0.000 0.180 1355 N C 1.508 177.030 175.510 0.021 0.000 1.028 1355 N CA 0.899 53.962 53.050 0.022 0.000 0.893 1355 N CB 0.014 38.505 38.487 0.008 0.000 0.967 1355 N HN 0.570 nan 8.380 nan 0.000 0.440 1356 N N -0.244 118.469 118.700 0.021 0.000 2.336 1356 N HA 0.015 4.754 4.740 -0.001 0.000 0.189 1356 N C -0.670 174.849 175.510 0.016 0.000 1.113 1356 N CA 0.064 53.122 53.050 0.013 0.000 0.858 1356 N CB 0.424 38.916 38.487 0.009 0.000 0.970 1356 N HN 0.025 nan 8.380 nan 0.000 0.471 1357 K N 1.843 122.263 120.400 0.033 0.000 2.258 1357 K HA 0.102 4.422 4.320 -0.001 0.000 0.284 1357 K C 0.069 176.684 176.600 0.024 0.000 1.051 1357 K CA -0.093 56.215 56.287 0.035 0.000 0.923 1357 K CB 1.079 33.627 32.500 0.080 0.000 1.046 1357 K HN 0.074 nan 8.250 nan 0.000 0.474 1358 T N 0.595 115.147 114.554 -0.003 0.000 2.780 1358 T HA 0.383 4.733 4.350 -0.001 0.000 0.294 1358 T C 0.424 175.115 174.700 -0.014 0.000 0.949 1358 T CA -0.784 61.305 62.100 -0.019 0.000 1.074 1358 T CB 0.250 69.091 68.868 -0.045 0.000 0.910 1358 T HN 0.174 nan 8.240 nan 0.000 0.501 1359 I N 3.835 124.405 120.570 0.001 0.000 2.342 1359 I HA 0.468 4.637 4.170 -0.001 0.000 0.291 1359 I C 0.111 176.183 176.117 -0.074 0.000 1.010 1359 I CA -0.905 60.399 61.300 0.006 0.000 1.308 1359 I CB 0.836 38.837 38.000 0.001 0.000 1.400 1359 I HN 0.688 nan 8.210 nan 0.000 0.488 1360 I N 6.089 126.601 120.570 -0.096 0.000 2.647 1360 I HA 0.406 4.576 4.170 -0.001 0.000 0.295 1360 I C -1.131 174.969 176.117 -0.029 0.000 1.078 1360 I CA -0.644 60.616 61.300 -0.065 0.000 1.048 1360 I CB 2.082 40.071 38.000 -0.020 0.000 1.239 1360 I HN 0.279 nan 8.210 nan 0.000 0.421 1361 F N 4.190 124.385 119.950 0.408 0.000 2.467 1361 F HA 0.485 5.011 4.527 -0.001 0.000 0.336 1361 F C 0.231 176.231 175.800 0.334 0.000 1.123 1361 F CA -0.706 57.540 58.000 0.411 0.000 0.964 1361 F CB 1.539 40.823 39.000 0.472 0.000 1.136 1361 F HN 0.371 nan 8.300 nan 0.000 0.447 1362 N N 3.042 122.022 118.700 0.467 0.000 2.321 1362 N HA 0.458 5.197 4.740 -0.001 0.000 0.290 1362 N C -2.794 172.885 175.510 0.282 0.000 1.212 1362 N CA -1.826 51.413 53.050 0.316 0.000 0.767 1362 N CB 2.453 41.051 38.487 0.186 0.000 1.494 1362 N HN 0.125 nan 8.380 nan 0.000 0.479 1363 P HA -0.035 nan 4.420 nan 0.000 0.272 1363 P C 0.027 177.370 177.300 0.071 0.000 1.248 1363 P CA 0.054 63.255 63.100 0.169 0.000 0.799 1363 P CB 0.428 32.226 31.700 0.162 0.000 0.997 1364 S N -0.313 115.401 115.700 0.022 0.000 2.568 1364 S HA 0.023 4.493 4.470 -0.001 0.000 0.282 1364 S C 1.337 175.953 174.600 0.027 0.000 1.338 1364 S CA 0.018 58.218 58.200 0.001 0.000 1.045 1364 S CB -0.313 62.884 63.200 -0.004 0.000 0.873 1364 S HN 0.296 nan 8.310 nan 0.000 0.516 1365 S N 2.247 117.958 115.700 0.018 0.000 2.461 1365 S HA 0.371 4.841 4.470 -0.001 0.000 0.228 1365 S C 0.777 175.390 174.600 0.022 0.000 1.005 1365 S CA 0.549 58.761 58.200 0.020 0.000 0.942 1365 S CB -0.354 62.852 63.200 0.010 0.000 0.776 1365 S HN 1.230 nan 8.310 nan 0.000 0.514 1366 G N -1.238 107.575 108.800 0.023 0.000 2.351 1366 G HA2 0.482 4.441 3.960 -0.001 0.000 0.353 1366 G HA3 0.482 4.441 3.960 -0.001 0.000 0.353 1366 G C -0.361 174.555 174.900 0.026 0.000 1.358 1366 G CA -0.390 44.726 45.100 0.027 0.000 0.995 1366 G HN 0.949 nan 8.290 nan 0.000 0.611 1367 G N -0.707 108.111 108.800 0.029 0.000 2.318 1367 G HA2 0.430 4.390 3.960 -0.001 0.000 0.367 1367 G HA3 0.430 4.390 3.960 -0.001 0.000 0.367 1367 G C -0.972 173.954 174.900 0.042 0.000 1.260 1367 G CA 0.264 45.383 45.100 0.031 0.000 1.055 1367 G HN 1.242 nan 8.290 nan 0.000 0.484 1368 D N 1.513 121.943 120.400 0.049 0.000 2.472 1368 D HA 0.318 4.958 4.640 -0.001 0.000 0.237 1368 D C -1.060 175.296 176.300 0.093 0.000 1.141 1368 D CA -0.672 53.368 54.000 0.066 0.000 0.875 1368 D CB 0.981 41.825 40.800 0.074 0.000 1.192 1368 D HN 0.053 nan 8.370 nan 0.000 0.450 1369 P HA -0.161 nan 4.420 nan 0.000 0.216 1369 P C 0.868 178.328 177.300 0.267 0.000 1.153 1369 P CA 1.290 64.486 63.100 0.159 0.000 0.858 1369 P CB 0.296 32.055 31.700 0.099 0.000 0.789 1370 E N -1.378 118.997 120.200 0.291 0.000 2.209 1370 E HA -0.151 4.199 4.350 -0.001 0.000 0.196 1370 E C 1.745 178.415 176.600 0.117 0.000 0.993 1370 E CA 0.928 57.461 56.400 0.222 0.000 0.819 1370 E CB -0.724 29.092 29.700 0.192 0.000 0.745 1370 E HN 0.233 nan 8.360 nan 0.000 0.477 1371 I N -1.116 119.518 120.570 0.107 0.000 2.867 1371 I HA -0.093 4.076 4.170 -0.001 0.000 0.265 1371 I C 1.676 177.829 176.117 0.061 0.000 1.162 1371 I CA 0.406 61.746 61.300 0.067 0.000 1.471 1371 I CB 0.340 38.371 38.000 0.051 0.000 1.123 1371 I HN -0.067 nan 8.210 nan 0.000 0.440 1372 V N 0.006 119.968 119.914 0.080 0.000 2.591 1372 V HA -0.071 4.048 4.120 -0.001 0.000 0.249 1372 V C 1.277 177.431 176.094 0.100 0.000 1.053 1372 V CA 1.500 63.844 62.300 0.073 0.000 1.068 1372 V CB -1.238 30.629 31.823 0.074 0.000 0.689 1372 V HN 0.558 nan 8.190 nan 0.000 0.462 1373 T N -2.085 112.556 114.554 0.144 0.000 2.936 1373 T HA 0.377 4.727 4.350 -0.001 0.000 0.282 1373 T C -0.243 174.577 174.700 0.199 0.000 1.003 1373 T CA -0.500 61.711 62.100 0.184 0.000 1.005 1373 T CB 1.401 70.411 68.868 0.237 0.000 1.097 1373 T HN 0.350 nan 8.240 nan 0.000 0.532 1374 H N 1.406 120.554 119.070 0.129 0.000 2.911 1374 H HA 0.519 5.075 4.556 -0.001 0.000 0.273 1374 H C -0.064 175.367 175.328 0.171 0.000 1.157 1374 H CA -0.649 55.477 56.048 0.131 0.000 1.402 1374 H CB -0.455 29.390 29.762 0.139 0.000 1.463 1374 H HN 0.778 nan 8.280 nan 0.000 0.475 1375 S N 4.516 120.218 115.700 0.004 0.000 2.664 1375 S HA 0.818 5.288 4.470 -0.001 0.000 0.304 1375 S C -0.729 173.849 174.600 -0.037 0.000 1.099 1375 S CA -0.508 57.531 58.200 -0.269 0.000 1.003 1375 S CB 1.617 64.453 63.200 -0.607 0.000 1.092 1375 S HN 0.649 nan 8.310 nan 0.000 0.525 1376 F N -1.775 118.019 119.950 -0.260 0.000 2.842 1376 F HA 0.549 5.076 4.527 -0.001 0.000 0.319 1376 F C -1.650 174.129 175.800 -0.034 0.000 1.159 1376 F CA -1.120 56.807 58.000 -0.120 0.000 0.902 1376 F CB 0.912 39.821 39.000 -0.153 0.000 1.311 1376 F HN 0.645 nan 8.300 nan 0.000 0.453 1377 N N 1.305 120.034 118.700 0.047 0.000 2.417 1377 N HA 0.457 5.196 4.740 -0.001 0.000 0.274 1377 N C -1.932 173.588 175.510 0.016 0.000 0.987 1377 N CA -0.067 52.894 53.050 -0.148 0.000 0.912 1377 N CB 1.816 40.220 38.487 -0.139 0.000 1.177 1377 N HN 0.920 nan 8.380 nan 0.000 0.490 1378 c N 2.624 121.206 118.600 -0.030 0.000 2.396 1378 c HA 0.662 5.232 4.570 -0.001 0.000 0.321 1378 c C 1.275 175.371 174.090 0.010 0.000 1.233 1378 c CA 0.605 56.961 56.329 0.045 0.000 1.440 1378 c CB -0.426 42.109 42.510 0.041 0.000 2.110 1378 c HN 0.940 nan 8.230 nan 0.000 0.473 1379 G N 3.808 112.590 108.800 -0.029 0.000 2.225 1379 G HA2 0.075 4.034 3.960 -0.001 0.000 0.267 1379 G HA3 0.075 4.034 3.960 -0.001 0.000 0.267 1379 G C 1.227 176.061 174.900 -0.110 0.000 1.024 1379 G CA 1.222 46.297 45.100 -0.041 0.000 0.784 1379 G HN 2.664 nan 8.290 nan 0.000 0.507 1380 G N -1.885 106.778 108.800 -0.228 0.000 2.179 1380 G HA2 -0.224 3.736 3.960 -0.001 0.000 0.260 1380 G HA3 -0.224 3.736 3.960 -0.001 0.000 0.260 1380 G C 0.076 174.689 174.900 -0.479 0.000 0.977 1380 G CA 0.914 45.790 45.100 -0.374 0.000 0.641 1380 G HN 0.968 nan 8.290 nan 0.000 0.533 1381 E N -0.391 119.603 120.200 -0.343 0.000 2.204 1381 E HA 0.597 4.947 4.350 -0.001 0.000 0.276 1381 E C -0.535 175.823 176.600 -0.402 0.000 0.974 1381 E CA -0.828 55.397 56.400 -0.291 0.000 0.815 1381 E CB 0.799 30.453 29.700 -0.077 0.000 1.119 1381 E HN 0.150 nan 8.360 nan 0.000 0.393 1382 F N 2.220 122.095 119.950 -0.124 0.000 2.350 1382 F HA 0.292 4.818 4.527 -0.000 0.000 0.365 1382 F C 0.173 175.873 175.800 -0.167 0.000 1.122 1382 F CA -0.533 57.399 58.000 -0.114 0.000 1.139 1382 F CB 0.172 39.172 39.000 -0.000 0.000 1.220 1382 F HN 0.260 nan 8.300 nan 0.000 0.499 1383 F N 2.447 122.092 119.950 -0.507 0.000 2.377 1383 F HA 0.468 4.995 4.527 -0.001 0.000 0.328 1383 F C -0.582 174.930 175.800 -0.480 0.000 1.094 1383 F CA -0.978 56.719 58.000 -0.505 0.000 1.093 1383 F CB 0.868 39.253 39.000 -1.026 0.000 1.214 1383 F HN 0.234 nan 8.300 nan 0.000 0.518 1384 Y N 1.066 121.352 120.300 -0.024 0.000 2.322 1384 Y HA 0.441 4.990 4.550 -0.000 0.000 0.324 1384 Y C -0.760 175.182 175.900 0.070 0.000 1.027 1384 Y CA -1.144 56.966 58.100 0.015 0.000 1.179 1384 Y CB 1.526 39.988 38.460 0.002 0.000 1.136 1384 Y HN 0.446 nan 8.280 nan 0.000 0.449 1385 c N 3.081 121.807 118.600 0.210 0.000 2.379 1385 c HA 0.347 4.916 4.570 -0.001 0.000 0.323 1385 c C 0.306 174.518 174.090 0.204 0.000 1.262 1385 c CA -1.281 55.174 56.329 0.209 0.000 1.581 1385 c CB 0.794 43.445 42.510 0.234 0.000 2.221 1385 c HN 0.798 nan 8.230 nan 0.000 0.497 1386 N N 1.713 120.511 118.700 0.164 0.000 2.434 1386 N HA -0.035 4.705 4.740 -0.001 0.000 0.268 1386 N C 0.956 176.564 175.510 0.164 0.000 1.256 1386 N CA 0.377 53.519 53.050 0.152 0.000 0.914 1386 N CB 0.923 39.480 38.487 0.118 0.000 1.088 1386 N HN 0.864 nan 8.380 nan 0.000 0.478 1387 S N 1.469 117.290 115.700 0.203 0.000 2.557 1387 S HA 0.023 4.492 4.470 -0.001 0.000 0.223 1387 S C 1.425 176.201 174.600 0.293 0.000 0.969 1387 S CA -0.191 58.162 58.200 0.255 0.000 0.927 1387 S CB -0.023 63.411 63.200 0.390 0.000 0.806 1387 S HN 0.510 nan 8.310 nan 0.000 0.489 1388 T N 3.321 118.003 114.554 0.213 0.000 2.597 1388 T HA -0.237 4.112 4.350 -0.001 0.000 0.267 1388 T C 1.799 176.606 174.700 0.179 0.000 1.053 1388 T CA 2.107 64.330 62.100 0.205 0.000 1.165 1388 T CB -0.523 68.432 68.868 0.145 0.000 0.863 1388 T HN 0.543 nan 8.240 nan 0.000 0.427 1389 Q N 0.168 120.031 119.800 0.105 0.000 2.197 1389 Q HA -0.059 4.281 4.340 -0.001 0.000 0.207 1389 Q C 2.196 178.193 176.000 -0.006 0.000 0.984 1389 Q CA 1.080 56.917 55.803 0.056 0.000 0.869 1389 Q CB -0.339 28.409 28.738 0.017 0.000 0.906 1389 Q HN 0.516 nan 8.270 nan 0.000 0.426 1390 L N -1.310 119.838 121.223 -0.126 0.000 2.509 1390 L HA 0.055 4.394 4.340 -0.001 0.000 0.222 1390 L C 0.255 176.840 176.870 -0.475 0.000 1.123 1390 L CA 0.176 54.755 54.840 -0.435 0.000 0.856 1390 L CB 0.334 41.818 42.059 -0.958 0.000 0.985 1390 L HN 0.118 nan 8.230 nan 0.000 0.456 1391 F N -0.717 119.348 119.950 0.192 0.000 2.679 1391 F HA 0.255 4.781 4.527 -0.001 0.000 0.354 1391 F C 0.060 176.029 175.800 0.281 0.000 1.423 1391 F CA -0.213 57.927 58.000 0.232 0.000 1.141 1391 F CB 0.903 40.005 39.000 0.171 0.000 1.168 1391 F HN -0.294 nan 8.300 nan 0.000 0.530 1392 T N -0.288 114.507 114.554 0.402 0.000 3.198 1392 T HA 0.150 4.499 4.350 -0.001 0.000 0.352 1392 T C -1.325 173.623 174.700 0.413 0.000 1.197 1392 T CA -0.450 61.859 62.100 0.350 0.000 1.427 1392 T CB 0.530 69.538 68.868 0.235 0.000 0.983 1392 T HN 0.396 nan 8.240 nan 0.000 0.560 1413 N N 2.679 121.374 118.700 -0.008 0.000 2.400 1413 N HA 0.421 5.161 4.740 -0.001 0.000 0.288 1413 N C -0.509 174.984 175.510 -0.028 0.000 1.024 1413 N CA -0.459 52.579 53.050 -0.019 0.000 0.894 1413 N CB 1.719 40.188 38.487 -0.029 0.000 1.173 1413 N HN 0.415 nan 8.380 nan 0.000 0.487 1414 I N 1.766 122.311 120.570 -0.041 0.000 2.379 1414 I HA 0.058 4.227 4.170 -0.001 0.000 0.290 1414 I C 0.333 176.414 176.117 -0.059 0.000 1.063 1414 I CA 0.168 61.434 61.300 -0.056 0.000 1.351 1414 I CB 0.469 38.402 38.000 -0.111 0.000 1.410 1414 I HN 0.180 nan 8.210 nan 0.000 0.505 1415 T N 8.025 122.554 114.554 -0.041 0.000 2.753 1415 T HA 0.443 4.793 4.350 -0.001 0.000 0.297 1415 T C 0.018 174.755 174.700 0.062 0.000 0.981 1415 T CA -0.414 61.669 62.100 -0.028 0.000 0.956 1415 T CB 0.352 69.140 68.868 -0.134 0.000 0.936 1415 T HN 0.286 nan 8.240 nan 0.000 0.463 1416 L N 6.243 127.532 121.223 0.109 0.000 2.276 1416 L HA 0.376 4.715 4.340 -0.001 0.000 0.286 1416 L C -2.204 174.816 176.870 0.250 0.000 1.061 1416 L CA -2.446 52.479 54.840 0.142 0.000 0.807 1416 L CB 1.078 43.188 42.059 0.085 0.000 1.177 1416 L HN 0.286 nan 8.230 nan 0.000 0.429 1417 P HA 0.095 nan 4.420 nan 0.000 0.271 1417 P C -0.789 176.537 177.300 0.043 0.000 1.233 1417 P CA -0.199 62.938 63.100 0.061 0.000 0.764 1417 P CB 0.736 32.475 31.700 0.066 0.000 0.825 1418 c N 4.662 123.249 118.600 -0.021 0.000 2.779 1418 c HA 0.800 5.369 4.570 -0.001 0.000 0.314 1418 c C -0.542 173.555 174.090 0.010 0.000 1.231 1418 c CA -0.354 56.023 56.329 0.079 0.000 1.652 1418 c CB 1.477 44.115 42.510 0.214 0.000 2.198 1418 c HN 0.670 nan 8.230 nan 0.000 0.483 1419 R N 3.106 123.630 120.500 0.040 0.000 2.668 1419 R HA 0.703 5.042 4.340 -0.001 0.000 0.272 1419 R C -1.958 174.292 176.300 -0.083 0.000 1.019 1419 R CA -0.544 55.526 56.100 -0.051 0.000 0.894 1419 R CB 1.136 31.402 30.300 -0.056 0.000 1.228 1419 R HN 0.762 nan 8.270 nan 0.000 0.460 1420 I N 3.232 123.679 120.570 -0.204 0.000 2.392 1420 I HA 0.390 4.560 4.170 -0.001 0.000 0.295 1420 I C -0.184 175.865 176.117 -0.113 0.000 0.985 1420 I CA -0.732 60.426 61.300 -0.237 0.000 1.221 1420 I CB 1.873 39.617 38.000 -0.427 0.000 1.366 1420 I HN 0.469 nan 8.210 nan 0.000 0.467 1421 K N 4.435 124.819 120.400 -0.025 0.000 2.328 1421 K HA 0.442 4.761 4.320 -0.001 0.000 0.246 1421 K C -0.326 176.286 176.600 0.020 0.000 0.955 1421 K CA -0.767 55.474 56.287 -0.077 0.000 0.817 1421 K CB 2.162 34.503 32.500 -0.265 0.000 1.208 1421 K HN 0.350 nan 8.250 nan 0.000 0.432 1422 Q N 0.324 120.125 119.800 0.003 0.000 2.396 1422 Q HA 0.285 4.625 4.340 -0.001 0.000 0.220 1422 Q C -0.145 175.891 176.000 0.060 0.000 0.900 1422 Q CA 0.595 56.440 55.803 0.070 0.000 0.925 1422 Q CB 0.591 29.359 28.738 0.051 0.000 1.065 1422 Q HN 0.453 nan 8.270 nan 0.000 0.535 1423 I N 2.168 122.730 120.570 -0.012 0.000 2.355 1423 I HA 0.396 4.565 4.170 -0.001 0.000 0.288 1423 I C -0.434 175.646 176.117 -0.062 0.000 0.999 1423 I CA -0.860 60.427 61.300 -0.022 0.000 1.163 1423 I CB 1.087 39.066 38.000 -0.035 0.000 1.316 1423 I HN 0.062 nan 8.210 nan 0.000 0.454 1424 I N 2.901 123.443 120.570 -0.046 0.000 3.174 1424 I HA 0.601 4.770 4.170 -0.001 0.000 0.313 1424 I C -1.104 175.017 176.117 0.007 0.000 1.155 1424 I CA -1.015 60.266 61.300 -0.033 0.000 0.977 1424 I CB 2.250 40.197 38.000 -0.088 0.000 1.248 1424 I HN 0.270 nan 8.210 nan 0.000 0.453 1425 N N 3.366 122.100 118.700 0.056 0.000 2.455 1425 N HA 0.447 5.187 4.740 -0.001 0.000 0.280 1425 N C -0.726 174.832 175.510 0.080 0.000 1.055 1425 N CA -0.297 52.789 53.050 0.060 0.000 0.961 1425 N CB 1.585 40.119 38.487 0.079 0.000 1.121 1425 N HN 0.604 nan 8.380 nan 0.000 0.476 1426 M N 1.469 121.099 119.600 0.049 0.000 2.243 1426 M HA 0.123 4.602 4.480 -0.001 0.000 0.341 1426 M C 1.454 177.791 176.300 0.061 0.000 1.130 1426 M CA -0.185 55.130 55.300 0.025 0.000 1.162 1426 M CB 1.071 33.632 32.600 -0.064 0.000 1.497 1426 M HN 0.695 nan 8.290 nan 0.000 0.456 1427 W N 0.802 122.104 121.300 0.003 0.000 2.762 1427 W HA 0.061 4.721 4.660 -0.001 0.000 0.265 1427 W C 0.861 177.377 176.519 -0.006 0.000 1.263 1427 W CA 0.136 57.473 57.345 -0.014 0.000 1.411 1427 W CB -0.495 28.929 29.460 -0.060 0.000 1.065 1427 W HN 0.606 nan 8.180 nan 0.000 0.609 1428 Q N 1.861 121.032 119.800 -1.048 0.000 2.124 1428 Q HA -0.102 4.238 4.340 -0.001 0.000 0.202 1428 Q C 0.525 176.318 176.000 -0.344 0.000 0.977 1428 Q CA 2.036 57.217 55.803 -1.037 0.000 0.850 1428 Q CB -0.081 27.983 28.738 -1.124 0.000 0.901 1428 Q HN 0.609 nan 8.270 nan 0.000 0.429 1429 E N -2.410 117.659 120.200 -0.219 0.000 2.429 1429 E HA 0.391 4.740 4.350 -0.001 0.000 0.280 1429 E C -1.248 175.323 176.600 -0.047 0.000 1.068 1429 E CA -0.878 55.469 56.400 -0.088 0.000 0.837 1429 E CB 0.985 30.629 29.700 -0.093 0.000 1.357 1429 E HN -0.213 nan 8.360 nan 0.000 0.455 1430 V N 0.831 120.736 119.914 -0.016 0.000 2.529 1430 V HA 0.546 4.666 4.120 -0.001 0.000 0.292 1430 V C 0.694 176.781 176.094 -0.012 0.000 1.028 1430 V CA 1.445 63.743 62.300 -0.003 0.000 1.074 1430 V CB -0.189 31.637 31.823 0.004 0.000 0.958 1430 V HN 0.892 nan 8.190 nan 0.000 0.481 1431 G N 5.113 113.909 108.800 -0.006 0.000 2.337 1431 G HA2 0.274 4.234 3.960 -0.001 0.000 0.298 1431 G HA3 0.274 4.234 3.960 -0.001 0.000 0.298 1431 G C -1.599 173.299 174.900 -0.003 0.000 1.335 1431 G CA -0.957 44.137 45.100 -0.010 0.000 0.875 1431 G HN 0.471 nan 8.290 nan 0.000 0.579 1432 K N -0.455 119.941 120.400 -0.007 0.000 2.318 1432 K HA 0.829 5.149 4.320 -0.001 0.000 0.249 1432 K C -0.477 176.119 176.600 -0.007 0.000 0.942 1432 K CA -0.546 55.739 56.287 -0.003 0.000 0.808 1432 K CB 2.523 35.018 32.500 -0.008 0.000 1.189 1432 K HN 1.140 nan 8.250 nan 0.000 0.428 1433 A N 2.205 125.031 122.820 0.009 0.000 2.475 1433 A HA 0.693 5.012 4.320 -0.001 0.000 0.301 1433 A C -1.376 176.221 177.584 0.021 0.000 1.059 1433 A CA -0.767 51.270 52.037 0.001 0.000 0.710 1433 A CB 1.775 20.823 19.000 0.079 0.000 1.288 1433 A HN 0.772 nan 8.150 nan 0.000 0.408 1434 M N 2.161 121.727 119.600 -0.057 0.000 2.190 1434 M HA 0.636 5.115 4.480 -0.001 0.000 0.312 1434 M C -2.073 174.185 176.300 -0.069 0.000 0.990 1434 M CA -0.374 54.926 55.300 -0.001 0.000 0.927 1434 M CB 1.017 33.603 32.600 -0.024 0.000 1.571 1434 M HN 0.732 nan 8.290 nan 0.000 0.427 1435 Y N 2.009 122.315 120.300 0.011 0.000 2.534 1435 Y HA 0.734 5.284 4.550 -0.001 0.000 0.329 1435 Y C 0.534 176.464 175.900 0.051 0.000 1.154 1435 Y CA -0.636 57.505 58.100 0.068 0.000 1.192 1435 Y CB 1.512 40.082 38.460 0.184 0.000 1.275 1435 Y HN 0.754 nan 8.280 nan 0.000 0.491 1436 A N 2.615 125.550 122.820 0.192 0.000 2.386 1436 A HA 0.470 4.790 4.320 -0.001 0.000 0.248 1436 A C -2.420 175.231 177.584 0.112 0.000 1.082 1436 A CA -1.344 50.758 52.037 0.108 0.000 0.789 1436 A CB -0.549 18.495 19.000 0.073 0.000 1.025 1436 A HN 0.499 nan 8.150 nan 0.000 0.490 1437 P HA 0.195 nan 4.420 nan 0.000 0.271 1437 P C -2.543 174.775 177.300 0.030 0.000 1.238 1437 P CA -0.860 62.263 63.100 0.038 0.000 0.794 1437 P CB -0.369 31.341 31.700 0.017 0.000 0.959 1438 P HA 0.079 nan 4.420 nan 0.000 0.269 1438 P C 0.929 178.231 177.300 0.003 0.000 1.263 1438 P CA 0.119 63.217 63.100 -0.002 0.000 0.813 1438 P CB -0.371 31.313 31.700 -0.026 0.000 0.868 1439 I N 1.126 121.701 120.570 0.009 0.000 2.099 1439 I HA -0.150 4.020 4.170 -0.001 0.000 0.239 1439 I C 1.123 177.243 176.117 0.006 0.000 1.066 1439 I CA 0.946 62.251 61.300 0.008 0.000 1.324 1439 I CB -0.480 37.526 38.000 0.009 0.000 1.037 1439 I HN 0.137 nan 8.210 nan 0.000 0.401 1440 R N 1.956 122.460 120.500 0.007 0.000 2.758 1440 R HA 0.006 4.345 4.340 -0.001 0.000 0.263 1440 R C 1.370 177.675 176.300 0.008 0.000 1.010 1440 R CA 0.807 56.912 56.100 0.009 0.000 1.114 1440 R CB 0.073 30.380 30.300 0.013 0.000 0.985 1440 R HN 0.492 nan 8.270 nan 0.000 0.439 1441 G N 1.043 109.849 108.800 0.010 0.000 2.464 1441 G HA2 -0.194 3.765 3.960 -0.001 0.000 0.214 1441 G HA3 -0.194 3.765 3.960 -0.001 0.000 0.214 1441 G C 0.277 175.186 174.900 0.014 0.000 1.218 1441 G CA 0.382 45.488 45.100 0.010 0.000 0.794 1441 G HN 0.534 nan 8.290 nan 0.000 0.542 1442 Q N -0.049 119.765 119.800 0.023 0.000 2.333 1442 Q HA 0.466 4.806 4.340 -0.001 0.000 0.267 1442 Q C -1.297 174.733 176.000 0.051 0.000 1.012 1442 Q CA -0.784 55.039 55.803 0.034 0.000 0.824 1442 Q CB 1.500 30.260 28.738 0.037 0.000 1.290 1442 Q HN 0.076 nan 8.270 nan 0.000 0.449 1443 I N 4.584 125.197 120.570 0.072 0.000 2.307 1443 I HA 0.398 4.568 4.170 -0.001 0.000 0.289 1443 I C 0.059 176.292 176.117 0.193 0.000 1.021 1443 I CA -0.117 61.258 61.300 0.126 0.000 1.224 1443 I CB 0.740 38.815 38.000 0.126 0.000 1.376 1443 I HN 0.584 nan 8.210 nan 0.000 0.470 1444 R N 3.885 124.470 120.500 0.142 0.000 2.664 1444 R HA 0.694 5.033 4.340 -0.001 0.000 0.286 1444 R C -1.111 175.231 176.300 0.070 0.000 0.967 1444 R CA -0.478 55.689 56.100 0.112 0.000 0.933 1444 R CB 2.650 32.988 30.300 0.063 0.000 1.146 1444 R HN 0.639 nan 8.270 nan 0.000 0.468 1445 c N 0.830 119.435 118.600 0.007 0.000 2.782 1445 c HA 0.555 5.124 4.570 -0.001 0.000 0.328 1445 c C -0.784 173.256 174.090 -0.083 0.000 1.145 1445 c CA -0.302 55.983 56.329 -0.075 0.000 1.358 1445 c CB 1.813 44.183 42.510 -0.233 0.000 1.841 1445 c HN 0.813 nan 8.230 nan 0.000 0.477 1446 S N 3.612 119.265 115.700 -0.079 0.000 2.647 1446 S HA 0.882 5.351 4.470 -0.001 0.000 0.300 1446 S C -0.789 173.754 174.600 -0.095 0.000 1.129 1446 S CA -0.180 57.974 58.200 -0.077 0.000 1.029 1446 S CB 1.158 64.332 63.200 -0.044 0.000 1.007 1446 S HN 0.929 nan 8.310 nan 0.000 0.484 1447 S N 3.671 119.298 115.700 -0.122 0.000 2.618 1447 S HA 0.570 5.040 4.470 -0.001 0.000 0.277 1447 S C -1.403 173.139 174.600 -0.097 0.000 1.138 1447 S CA -1.033 57.093 58.200 -0.124 0.000 0.844 1447 S CB 1.404 64.478 63.200 -0.209 0.000 1.127 1447 S HN 0.738 nan 8.310 nan 0.000 0.474 1448 N N 1.575 120.233 118.700 -0.070 0.000 2.444 1448 N HA 0.424 5.163 4.740 -0.001 0.000 0.262 1448 N C -0.939 174.545 175.510 -0.044 0.000 0.974 1448 N CA -0.303 52.720 53.050 -0.045 0.000 0.933 1448 N CB 1.022 39.496 38.487 -0.021 0.000 1.137 1448 N HN 0.534 nan 8.380 nan 0.000 0.498 1449 I N 1.979 122.527 120.570 -0.037 0.000 2.406 1449 I HA -0.023 4.147 4.170 -0.001 0.000 0.293 1449 I C 1.574 177.695 176.117 0.007 0.000 1.101 1449 I CA 0.219 61.508 61.300 -0.019 0.000 1.334 1449 I CB 0.225 38.242 38.000 0.027 0.000 1.421 1449 I HN 0.537 nan 8.210 nan 0.000 0.513 1450 T N 1.133 115.688 114.554 0.002 0.000 3.069 1450 T HA 0.423 4.772 4.350 -0.001 0.000 0.252 1450 T C 0.621 175.323 174.700 0.002 0.000 1.053 1450 T CA 0.039 62.144 62.100 0.008 0.000 0.964 1450 T CB 0.539 69.420 68.868 0.023 0.000 1.005 1450 T HN 0.717 nan 8.240 nan 0.000 0.532 1451 G N 0.412 109.214 108.800 0.002 0.000 2.489 1451 G HA2 0.566 4.525 3.960 -0.001 0.000 0.305 1451 G HA3 0.566 4.525 3.960 -0.001 0.000 0.305 1451 G C -2.563 172.341 174.900 0.006 0.000 1.311 1451 G CA -0.945 44.151 45.100 -0.007 0.000 0.813 1451 G HN 0.266 nan 8.290 nan 0.000 0.480 1452 L N -1.067 120.157 121.223 0.002 0.000 2.540 1452 L HA 0.662 5.002 4.340 -0.001 0.000 0.256 1452 L C -0.791 176.085 176.870 0.011 0.000 1.001 1452 L CA -0.431 54.424 54.840 0.025 0.000 0.843 1452 L CB 2.255 44.349 42.059 0.058 0.000 1.436 1452 L HN 0.502 nan 8.230 nan 0.000 0.410 1453 L N 2.821 124.046 121.223 0.003 0.000 2.319 1453 L HA 0.665 5.005 4.340 -0.001 0.000 0.281 1453 L C -1.029 175.842 176.870 0.001 0.000 1.005 1453 L CA -0.291 54.548 54.840 -0.001 0.000 0.828 1453 L CB 1.287 43.331 42.059 -0.026 0.000 1.227 1453 L HN 0.373 nan 8.230 nan 0.000 0.415 1454 L N 2.347 123.600 121.223 0.049 0.000 2.323 1454 L HA 0.767 5.107 4.340 -0.001 0.000 0.265 1454 L C 0.104 177.050 176.870 0.126 0.000 1.012 1454 L CA -0.600 54.300 54.840 0.100 0.000 0.820 1454 L CB 2.546 44.724 42.059 0.198 0.000 1.334 1454 L HN 0.566 nan 8.230 nan 0.000 0.427 1455 T N -1.454 113.184 114.554 0.140 0.000 2.907 1455 T HA 0.611 4.960 4.350 -0.001 0.000 0.292 1455 T C -0.741 174.024 174.700 0.107 0.000 1.043 1455 T CA -0.925 61.232 62.100 0.096 0.000 1.003 1455 T CB 2.439 71.322 68.868 0.024 0.000 1.084 1455 T HN 0.630 nan 8.240 nan 0.000 0.483 1456 R N 0.827 121.326 120.500 -0.002 0.000 2.562 1456 R HA 0.414 4.754 4.340 -0.001 0.000 0.298 1456 R C -1.295 174.868 176.300 -0.228 0.000 0.961 1456 R CA -0.622 55.322 56.100 -0.260 0.000 0.881 1456 R CB 0.967 31.030 30.300 -0.394 0.000 1.159 1456 R HN 0.641 nan 8.270 nan 0.000 0.450 1457 D N 3.053 123.283 120.400 -0.283 0.000 2.346 1457 D HA 0.130 4.770 4.640 -0.001 0.000 0.260 1457 D C 0.534 176.718 176.300 -0.194 0.000 1.252 1457 D CA 0.380 54.269 54.000 -0.185 0.000 0.895 1457 D CB 1.499 42.200 40.800 -0.166 0.000 1.097 1457 D HN 0.720 nan 8.370 nan 0.000 0.489 1458 G N 1.203 109.928 108.800 -0.125 0.000 3.229 1458 G HA2 0.523 4.483 3.960 -0.001 0.000 0.165 1458 G HA3 0.523 4.483 3.960 -0.001 0.000 0.165 1458 G C 0.373 175.229 174.900 -0.074 0.000 1.753 1458 G CA 0.151 45.193 45.100 -0.098 0.000 1.054 1458 G HN 0.792 nan 8.290 nan 0.000 0.544 1459 G N -1.176 107.597 108.800 -0.045 0.000 2.778 1459 G HA2 0.023 3.982 3.960 -0.001 0.000 0.686 1459 G HA3 0.023 3.982 3.960 -0.001 0.000 0.686 1459 G C -0.110 174.772 174.900 -0.031 0.000 1.309 1459 G CA 0.272 45.351 45.100 -0.035 0.000 0.904 1459 G HN 0.804 nan 8.290 nan 0.000 0.593 1460 K N 1.176 121.564 120.400 -0.020 0.000 2.480 1460 K HA 0.245 4.565 4.320 -0.001 0.000 0.241 1460 K C 0.992 177.581 176.600 -0.019 0.000 1.261 1460 K CA 0.542 56.820 56.287 -0.015 0.000 1.193 1460 K CB -0.026 32.469 32.500 -0.008 0.000 1.598 1460 K HN 0.495 nan 8.250 nan 0.000 0.278 1461 D N 0.619 121.003 120.400 -0.028 0.000 2.380 1461 D HA -0.078 4.562 4.640 -0.001 0.000 0.212 1461 D C -0.541 175.742 176.300 -0.028 0.000 1.021 1461 D CA 1.243 55.226 54.000 -0.029 0.000 0.884 1461 D CB 0.359 41.136 40.800 -0.038 0.000 1.001 1461 D HN 0.585 nan 8.370 nan 0.000 0.506 1462 T N -0.495 114.041 114.554 -0.029 0.000 3.626 1462 T HA -0.248 4.101 4.350 -0.001 0.000 0.393 1462 T C 0.413 175.096 174.700 -0.029 0.000 0.765 1462 T CA 0.895 62.980 62.100 -0.025 0.000 2.006 1462 T CB -3.003 65.857 68.868 -0.013 0.000 1.739 1462 T HN 0.294 nan 8.240 nan 0.000 0.720 1463 N N 0.890 119.566 118.700 -0.041 0.000 2.571 1463 N HA 0.269 5.008 4.740 -0.001 0.000 0.189 1463 N C 1.818 177.306 175.510 -0.037 0.000 1.154 1463 N CA 0.130 53.156 53.050 -0.040 0.000 0.907 1463 N CB -0.417 38.039 38.487 -0.052 0.000 0.977 1463 N HN 1.072 nan 8.380 nan 0.000 0.449 1464 G N 0.803 109.584 108.800 -0.033 0.000 2.168 1464 G HA2 -0.279 3.681 3.960 -0.001 0.000 0.263 1464 G HA3 -0.279 3.681 3.960 -0.001 0.000 0.263 1464 G C 0.179 175.059 174.900 -0.032 0.000 0.977 1464 G CA 0.917 46.002 45.100 -0.024 0.000 0.659 1464 G HN 0.428 nan 8.290 nan 0.000 0.533 1465 T N -0.606 113.916 114.554 -0.053 0.000 2.883 1465 T HA 0.591 4.940 4.350 -0.001 0.000 0.301 1465 T C -1.729 172.895 174.700 -0.128 0.000 1.158 1465 T CA -0.498 61.559 62.100 -0.071 0.000 1.007 1465 T CB 1.823 70.649 68.868 -0.069 0.000 1.186 1465 T HN 0.091 nan 8.240 nan 0.000 0.499 1466 E N 2.893 122.996 120.200 -0.162 0.000 2.210 1466 E HA 0.482 4.832 4.350 -0.001 0.000 0.266 1466 E C -0.662 175.699 176.600 -0.398 0.000 0.883 1466 E CA -0.502 55.686 56.400 -0.354 0.000 0.761 1466 E CB 2.062 31.513 29.700 -0.416 0.000 1.156 1466 E HN 0.595 nan 8.360 nan 0.000 0.412 1467 I N 2.718 122.970 120.570 -0.531 0.000 2.441 1467 I HA 0.416 4.585 4.170 -0.001 0.000 0.295 1467 I C -0.550 175.218 176.117 -0.582 0.000 0.994 1467 I CA -0.767 60.319 61.300 -0.356 0.000 1.144 1467 I CB 0.835 38.731 38.000 -0.173 0.000 1.314 1467 I HN 0.288 nan 8.210 nan 0.000 0.445 1468 F N 4.364 124.338 119.950 0.041 0.000 2.520 1468 F HA 0.625 5.152 4.527 -0.001 0.000 0.322 1468 F C 0.143 176.097 175.800 0.257 0.000 1.103 1468 F CA -0.663 57.437 58.000 0.167 0.000 0.926 1468 F CB 1.725 40.911 39.000 0.310 0.000 1.154 1468 F HN 0.263 nan 8.300 nan 0.000 0.453 1469 R N 1.644 122.311 120.500 0.278 0.000 2.854 1469 R HA 0.523 4.862 4.340 -0.001 0.000 0.271 1469 R C -2.916 173.343 176.300 -0.068 0.000 0.994 1469 R CA -2.262 53.901 56.100 0.105 0.000 0.945 1469 R CB 1.742 32.065 30.300 0.038 0.000 1.194 1469 R HN 0.228 nan 8.270 nan 0.000 0.476 1470 P HA 0.088 nan 4.420 nan 0.000 0.271 1470 P C -0.526 176.642 177.300 -0.220 0.000 1.226 1470 P CA 0.118 62.891 63.100 -0.544 0.000 0.765 1470 P CB 0.968 32.102 31.700 -0.943 0.000 0.835 1471 G N 1.638 110.359 108.800 -0.131 0.000 3.107 1471 G HA2 0.807 4.767 3.960 -0.001 0.000 0.232 1471 G HA3 0.807 4.767 3.960 -0.001 0.000 0.232 1471 G C -0.270 174.599 174.900 -0.052 0.000 1.339 1471 G CA -0.677 44.386 45.100 -0.062 0.000 1.033 1471 G HN 0.763 nan 8.290 nan 0.000 0.567 1472 G N -3.460 105.319 108.800 -0.036 0.000 2.371 1472 G HA2 0.521 4.481 3.960 -0.001 0.000 0.663 1472 G HA3 0.521 4.481 3.960 -0.001 0.000 0.663 1472 G C 0.448 175.330 174.900 -0.030 0.000 1.311 1472 G CA 0.723 45.796 45.100 -0.044 0.000 0.985 1472 G HN 2.415 nan 8.290 nan 0.000 0.566 1473 G N -0.831 107.943 108.800 -0.042 0.000 3.330 1473 G HA2 -0.002 3.958 3.960 -0.001 0.000 0.197 1473 G HA3 -0.002 3.958 3.960 -0.001 0.000 0.197 1473 G C 0.036 174.933 174.900 -0.004 0.000 1.284 1473 G CA 0.999 46.097 45.100 -0.003 0.000 0.921 1473 G HN 1.429 nan 8.290 nan 0.000 0.466 1474 D N 1.484 121.863 120.400 -0.036 0.000 2.365 1474 D HA 0.459 5.098 4.640 -0.001 0.000 0.237 1474 D C 1.527 177.721 176.300 -0.178 0.000 1.190 1474 D CA -0.462 53.509 54.000 -0.049 0.000 0.867 1474 D CB 1.152 41.922 40.800 -0.050 0.000 1.050 1474 D HN 0.050 nan 8.370 nan 0.000 0.491 1475 M N 3.375 122.844 119.600 -0.218 0.000 2.539 1475 M HA -0.025 4.454 4.480 -0.001 0.000 0.261 1475 M C 1.851 177.573 176.300 -0.964 0.000 1.069 1475 M CA 0.876 55.794 55.300 -0.636 0.000 1.081 1475 M CB -0.214 31.979 32.600 -0.678 0.000 1.412 1475 M HN 0.339 nan 8.290 nan 0.000 0.482 1476 R N -0.329 119.860 120.500 -0.520 0.000 2.152 1476 R HA -0.143 4.196 4.340 -0.001 0.000 0.232 1476 R C 1.352 177.483 176.300 -0.281 0.000 1.117 1476 R CA 1.209 57.091 56.100 -0.363 0.000 0.981 1476 R CB -0.403 29.770 30.300 -0.211 0.000 0.870 1476 R HN 0.407 nan 8.270 nan 0.000 0.451 1477 D N 0.025 120.266 120.400 -0.264 0.000 2.224 1477 D HA -0.085 4.555 4.640 -0.001 0.000 0.205 1477 D C 1.285 177.461 176.300 -0.206 0.000 0.965 1477 D CA 0.818 54.728 54.000 -0.149 0.000 0.852 1477 D CB -0.158 40.601 40.800 -0.069 0.000 0.947 1477 D HN 0.334 nan 8.370 nan 0.000 0.494 1478 N N -0.062 118.370 118.700 -0.446 0.000 2.142 1478 N HA -0.117 4.622 4.740 -0.001 0.000 0.186 1478 N C 1.836 177.312 175.510 -0.057 0.000 1.023 1478 N CA 0.754 53.552 53.050 -0.420 0.000 0.852 1478 N CB -0.144 37.804 38.487 -0.898 0.000 0.998 1478 N HN 0.394 nan 8.380 nan 0.000 0.424 1479 W N 1.455 122.765 121.300 0.017 0.000 2.467 1479 W HA 0.082 4.742 4.660 -0.001 0.000 0.275 1479 W C 2.362 178.903 176.519 0.037 0.000 1.239 1479 W CA -0.505 56.863 57.345 0.038 0.000 1.266 1479 W CB -0.064 29.421 29.460 0.041 0.000 1.112 1479 W HN -0.036 nan 8.180 nan 0.000 0.576 1480 R N 0.848 121.449 120.500 0.167 0.000 2.115 1480 R HA -0.126 4.213 4.340 -0.001 0.000 0.230 1480 R C 2.381 178.740 176.300 0.097 0.000 1.111 1480 R CA 1.753 57.880 56.100 0.046 0.000 0.976 1480 R CB -0.679 29.528 30.300 -0.154 0.000 0.870 1480 R HN 0.142 nan 8.270 nan 0.000 0.445 1481 S N 0.508 116.268 115.700 0.099 0.000 2.469 1481 S HA -0.067 4.403 4.470 -0.001 0.000 0.238 1481 S C 1.430 176.227 174.600 0.328 0.000 0.998 1481 S CA 0.859 59.140 58.200 0.135 0.000 0.957 1481 S CB 0.092 63.332 63.200 0.066 0.000 0.764 1481 S HN 0.218 nan 8.310 nan 0.000 0.514 1482 E N 0.706 121.115 120.200 0.347 0.000 2.413 1482 E HA 0.314 4.663 4.350 -0.001 0.000 0.203 1482 E C 1.434 178.302 176.600 0.446 0.000 0.957 1482 E CA 0.277 56.928 56.400 0.419 0.000 0.950 1482 E CB 0.109 30.039 29.700 0.383 0.000 0.957 1482 E HN 0.534 nan 8.360 nan 0.000 0.497 1483 L N 0.864 122.298 121.223 0.352 0.000 2.693 1483 L HA 0.114 4.454 4.340 -0.001 0.000 0.235 1483 L C 1.904 178.920 176.870 0.242 0.000 1.127 1483 L CA -0.136 54.918 54.840 0.357 0.000 0.914 1483 L CB -0.282 41.901 42.059 0.207 0.000 1.193 1483 L HN 0.104 nan 8.230 nan 0.000 0.502 1484 Y N 1.443 121.821 120.300 0.129 0.000 2.241 1484 Y HA -0.241 4.308 4.550 -0.001 0.000 0.286 1484 Y C 2.072 178.073 175.900 0.169 0.000 1.166 1484 Y CA 1.315 59.437 58.100 0.036 0.000 1.203 1484 Y CB -0.683 37.721 38.460 -0.092 0.000 0.977 1484 Y HN 0.191 nan 8.280 nan 0.000 0.529 1485 K N -0.854 119.175 120.400 -0.619 0.000 2.374 1485 K HA 0.124 4.444 4.320 -0.001 0.000 0.196 1485 K C -1.018 175.374 176.600 -0.346 0.000 1.023 1485 K CA -0.212 55.772 56.287 -0.505 0.000 1.103 1485 K CB -0.259 31.703 32.500 -0.896 0.000 0.848 1485 K HN 0.328 nan 8.250 nan 0.000 0.528 1486 Y N 1.678 122.039 120.300 0.102 0.000 2.457 1486 Y HA 0.408 4.957 4.550 -0.001 0.000 0.333 1486 Y C -0.157 175.860 175.900 0.195 0.000 1.119 1486 Y CA -0.842 57.356 58.100 0.163 0.000 1.143 1486 Y CB 1.805 40.303 38.460 0.064 0.000 1.230 1486 Y HN -0.139 nan 8.280 nan 0.000 0.469 1487 K N 1.662 122.216 120.400 0.257 0.000 2.588 1487 K HA 0.481 4.800 4.320 -0.001 0.000 0.250 1487 K C -2.188 174.407 176.600 -0.009 0.000 0.972 1487 K CA -0.648 55.630 56.287 -0.014 0.000 0.821 1487 K CB 2.123 34.334 32.500 -0.482 0.000 1.249 1487 K HN 0.576 nan 8.250 nan 0.000 0.442 1488 V N 4.931 124.836 119.914 -0.015 0.000 2.509 1488 V HA 0.567 4.687 4.120 -0.001 0.000 0.284 1488 V C -0.868 175.247 176.094 0.034 0.000 1.047 1488 V CA -0.203 62.103 62.300 0.009 0.000 0.952 1488 V CB 1.457 33.253 31.823 -0.044 0.000 0.988 1488 V HN 0.571 nan 8.190 nan 0.000 0.469 1489 V N 6.162 126.143 119.914 0.112 0.000 3.074 1489 V HA 0.579 4.699 4.120 -0.001 0.000 0.314 1489 V C -0.336 175.931 176.094 0.288 0.000 1.117 1489 V CA -1.099 61.285 62.300 0.140 0.000 1.014 1489 V CB 2.308 34.155 31.823 0.039 0.000 1.057 1489 V HN 1.014 nan 8.190 nan 0.000 0.438 1490 K N 4.009 124.507 120.400 0.162 0.000 2.248 1490 K HA 0.402 4.722 4.320 -0.001 0.000 0.281 1490 K C -0.415 176.094 176.600 -0.152 0.000 1.054 1490 K CA -0.680 55.540 56.287 -0.111 0.000 0.903 1490 K CB 0.696 33.146 32.500 -0.082 0.000 1.077 1490 K HN 0.557 nan 8.250 nan 0.000 0.474 1491 I N 4.826 125.251 120.570 -0.241 0.000 2.752 1491 I HA -0.065 4.104 4.170 -0.001 0.000 0.286 1491 I C 0.386 176.430 176.117 -0.122 0.000 1.180 1491 I CA 1.137 62.353 61.300 -0.141 0.000 1.404 1491 I CB -0.557 37.356 38.000 -0.144 0.000 1.389 1491 I HN 0.783 nan 8.210 nan 0.000 0.549 1492 E N 0.000 120.156 120.200 -0.073 0.000 2.725 1492 E HA 0.000 4.350 4.350 -0.001 0.000 0.291 1492 E CA 0.000 56.366 56.400 -0.056 0.000 0.976 1492 E CB 0.000 29.671 29.700 -0.049 0.000 0.812 1492 E HN 0.000 nan 8.360 nan 0.000 0.440