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 3opu_1_A DATA FIRST_RESID 1152 DATA SEQUENCE YIKPTKVNKN ENGVVIDDKT VLAGSTNYYE LTWDLDQYKN DRSSADTIQK DATA SEQUENCE GFYYVDDYPE EALELRQDLV KITDANGNEV TGVSVDNYTS LEAAPQEIRD DATA SEQUENCE VLSKAGIRPK GAFQIFRADN PREFYDTYVK TGIDLKIVSP MVVKKQMGQT DATA SEQUENCE GGSYENQAYQ IDFGNGYASN IVINNVPKIN PKKDVTLTLD PADTNNVDGQ DATA SEQUENCE TIPLNTVFNY RLIGGIIPAN HSEELFEYNF YDDYDQTGDH YTGQYKVFAK DATA SEQUENCE VDIILKNGVI IKSGTELTQY TTAEVDTTKG AITIKFKEAF LRSVSIDSAF DATA SEQUENCE QAESYIQMKR IAVGTFENTY INTVNGVTYS SNTVKTTT 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 1152 Y HA 0.000 nan 4.550 nan 0.000 0.201 1152 Y C 0.000 175.859 175.900 -0.068 0.000 1.272 1152 Y CA 0.000 58.077 58.100 -0.038 0.000 1.940 1152 Y CB 0.000 38.451 38.460 -0.015 0.000 1.050 1153 I N 6.468 126.744 120.570 -0.489 0.000 2.587 1153 I HA 0.248 4.419 4.170 0.002 0.000 0.284 1153 I C -0.883 175.054 176.117 -0.300 0.000 1.134 1153 I CA 0.352 61.394 61.300 -0.430 0.000 1.410 1153 I CB 0.082 37.700 38.000 -0.636 0.000 1.392 1153 I HN 0.520 nan 8.210 nan 0.000 0.545 1154 K N 9.607 129.955 120.400 -0.087 0.000 2.729 1154 K HA 0.452 4.773 4.320 0.002 0.000 0.269 1154 K C -2.741 173.906 176.600 0.079 0.000 1.065 1154 K CA -1.954 54.363 56.287 0.050 0.000 1.000 1154 K CB 1.390 33.980 32.500 0.150 0.000 1.283 1154 K HN 0.175 nan 8.250 nan 0.000 0.491 1155 P HA 0.126 nan 4.420 nan 0.000 0.271 1155 P C -0.586 176.782 177.300 0.114 0.000 1.216 1155 P CA -0.098 63.098 63.100 0.160 0.000 0.771 1155 P CB 0.704 32.484 31.700 0.132 0.000 0.864 1156 T N -0.412 114.217 114.554 0.126 0.000 2.893 1156 T HA 0.588 4.940 4.350 0.002 0.000 0.291 1156 T C -0.796 173.955 174.700 0.086 0.000 1.028 1156 T CA -0.967 61.183 62.100 0.083 0.000 0.995 1156 T CB 2.223 71.133 68.868 0.070 0.000 1.051 1156 T HN 0.375 nan 8.240 nan 0.000 0.470 1157 K N 1.538 121.973 120.400 0.059 0.000 2.426 1157 K HA 0.706 5.028 4.320 0.002 0.000 0.254 1157 K C -1.786 174.864 176.600 0.083 0.000 0.936 1157 K CA -0.875 55.450 56.287 0.064 0.000 0.801 1157 K CB 2.150 34.657 32.500 0.012 0.000 1.139 1157 K HN 0.597 nan 8.250 nan 0.000 0.424 1158 V N 3.581 123.570 119.914 0.125 0.000 2.789 1158 V HA 0.470 4.591 4.120 0.002 0.000 0.311 1158 V C -1.556 174.677 176.094 0.232 0.000 1.073 1158 V CA -0.814 61.572 62.300 0.143 0.000 0.921 1158 V CB 2.023 33.903 31.823 0.096 0.000 1.009 1158 V HN 0.936 nan 8.190 nan 0.000 0.426 1159 N N 4.893 123.735 118.700 0.236 0.000 2.456 1159 N HA 0.540 5.281 4.740 0.002 0.000 0.288 1159 N C -0.958 174.617 175.510 0.109 0.000 1.059 1159 N CA -0.222 52.960 53.050 0.219 0.000 0.946 1159 N CB 1.360 39.969 38.487 0.204 0.000 1.150 1159 N HN 0.762 nan 8.380 nan 0.000 0.479 1160 K N 1.169 121.624 120.400 0.092 0.000 2.477 1160 K HA 0.340 4.661 4.320 0.002 0.000 0.255 1160 K C -0.362 176.318 176.600 0.133 0.000 0.952 1160 K CA -0.973 55.366 56.287 0.086 0.000 0.826 1160 K CB 1.279 33.823 32.500 0.073 0.000 1.331 1160 K HN 0.721 nan 8.250 nan 0.000 0.437 1161 N N 0.180 118.932 118.700 0.086 0.000 2.366 1161 N HA -0.043 4.698 4.740 0.002 0.000 0.277 1161 N C 0.590 176.061 175.510 -0.064 0.000 1.275 1161 N CA -0.129 52.992 53.050 0.119 0.000 0.964 1161 N CB 0.184 38.710 38.487 0.065 0.000 1.167 1161 N HN 0.698 nan 8.380 nan 0.000 0.568 1162 E N -1.698 118.411 120.200 -0.150 0.000 2.347 1162 E HA -0.090 4.261 4.350 0.002 0.000 0.196 1162 E C 0.078 176.471 176.600 -0.345 0.000 1.008 1162 E CA 0.752 56.817 56.400 -0.557 0.000 0.852 1162 E CB -0.365 29.170 29.700 -0.275 0.000 0.783 1162 E HN 0.429 nan 8.360 nan 0.000 0.505 1163 N N 0.430 119.024 118.700 -0.177 0.000 2.322 1163 N HA 0.071 4.813 4.740 0.002 0.000 0.194 1163 N C 0.815 176.260 175.510 -0.108 0.000 1.126 1163 N CA 0.820 53.795 53.050 -0.126 0.000 0.845 1163 N CB 1.128 39.570 38.487 -0.076 0.000 0.976 1163 N HN 0.437 nan 8.380 nan 0.000 0.475 1164 G N -0.098 108.628 108.800 -0.122 0.000 2.162 1164 G HA2 -0.276 3.685 3.960 0.002 0.000 0.260 1164 G HA3 -0.276 3.685 3.960 0.002 0.000 0.260 1164 G C 0.089 174.967 174.900 -0.037 0.000 0.976 1164 G CA 0.217 45.271 45.100 -0.076 0.000 0.655 1164 G HN 0.196 nan 8.290 nan 0.000 0.533 1165 V N 0.903 120.797 119.914 -0.033 0.000 2.715 1165 V HA 0.338 4.459 4.120 0.002 0.000 0.299 1165 V C 1.368 177.463 176.094 0.003 0.000 1.054 1165 V CA -0.356 61.934 62.300 -0.017 0.000 1.077 1165 V CB 1.691 33.500 31.823 -0.023 0.000 0.972 1165 V HN 0.265 nan 8.190 nan 0.000 0.484 1166 V N 6.592 126.510 119.914 0.007 0.000 2.521 1166 V HA 0.130 4.251 4.120 0.002 0.000 0.286 1166 V C 0.865 176.971 176.094 0.020 0.000 1.034 1166 V CA 0.418 62.731 62.300 0.022 0.000 1.045 1166 V CB 0.819 32.655 31.823 0.022 0.000 0.974 1166 V HN 0.855 nan 8.190 nan 0.000 0.480 1167 I N -0.619 119.972 120.570 0.035 0.000 3.947 1167 I HA 0.436 4.607 4.170 0.002 0.000 0.327 1167 I C -0.110 176.027 176.117 0.034 0.000 1.519 1167 I CA -0.561 60.757 61.300 0.029 0.000 1.122 1167 I CB 0.420 38.441 38.000 0.035 0.000 1.146 1167 I HN 0.343 nan 8.210 nan 0.000 0.442 1168 D N 3.337 123.764 120.400 0.044 0.000 2.571 1168 D HA -0.040 4.601 4.640 0.002 0.000 0.231 1168 D C 0.675 176.983 176.300 0.014 0.000 1.133 1168 D CA 1.120 55.145 54.000 0.042 0.000 0.862 1168 D CB 0.294 41.121 40.800 0.045 0.000 1.179 1168 D HN 0.357 nan 8.370 nan 0.000 0.474 1169 D N -0.303 120.094 120.400 -0.005 0.000 2.978 1169 D HA -0.202 4.440 4.640 0.002 0.000 0.205 1169 D C -0.062 176.228 176.300 -0.016 0.000 1.093 1169 D CA 0.977 54.965 54.000 -0.019 0.000 1.006 1169 D CB -0.655 40.138 40.800 -0.010 0.000 1.116 1169 D HN 0.488 nan 8.370 nan 0.000 0.419 1170 K N 0.653 121.049 120.400 -0.006 0.000 2.154 1170 K HA 0.311 4.632 4.320 0.002 0.000 0.264 1170 K C 0.366 176.977 176.600 0.018 0.000 1.008 1170 K CA -0.046 56.246 56.287 0.009 0.000 0.937 1170 K CB 0.718 33.227 32.500 0.015 0.000 1.002 1170 K HN -0.134 nan 8.250 nan 0.000 0.469 1171 T N 1.744 116.326 114.554 0.047 0.000 2.870 1171 T HA 0.165 4.516 4.350 0.002 0.000 0.300 1171 T C -0.330 174.433 174.700 0.104 0.000 0.989 1171 T CA -0.351 61.791 62.100 0.070 0.000 1.139 1171 T CB 0.381 69.302 68.868 0.089 0.000 0.920 1171 T HN 0.148 nan 8.240 nan 0.000 0.537 1172 V N 5.510 125.491 119.914 0.111 0.000 2.487 1172 V HA 0.396 4.517 4.120 0.002 0.000 0.298 1172 V C 0.095 176.268 176.094 0.131 0.000 1.028 1172 V CA -0.973 61.411 62.300 0.139 0.000 0.860 1172 V CB 1.579 33.520 31.823 0.197 0.000 0.991 1172 V HN 0.734 nan 8.190 nan 0.000 0.427 1173 L N 3.512 124.792 121.223 0.094 0.000 2.417 1173 L HA 0.577 4.918 4.340 0.002 0.000 0.268 1173 L C 1.098 178.020 176.870 0.087 0.000 1.158 1173 L CA -0.249 54.633 54.840 0.070 0.000 0.819 1173 L CB 0.792 42.862 42.059 0.018 0.000 1.112 1173 L HN 0.808 nan 8.230 nan 0.000 0.458 1174 A N 2.023 124.909 122.820 0.109 0.000 2.587 1174 A HA 0.358 4.679 4.320 0.002 0.000 0.235 1174 A C 1.278 178.895 177.584 0.054 0.000 1.044 1174 A CA 0.752 52.840 52.037 0.086 0.000 0.754 1174 A CB -0.397 18.677 19.000 0.124 0.000 0.968 1174 A HN 1.147 nan 8.150 nan 0.000 0.509 1175 G N 1.629 110.439 108.800 0.016 0.000 2.268 1175 G HA2 -0.230 3.731 3.960 0.002 0.000 0.240 1175 G HA3 -0.230 3.731 3.960 0.002 0.000 0.240 1175 G C 0.669 175.591 174.900 0.037 0.000 1.010 1175 G CA 0.431 45.541 45.100 0.017 0.000 0.618 1175 G HN 1.291 nan 8.290 nan 0.000 0.516 1176 S N 1.157 116.885 115.700 0.046 0.000 2.579 1176 S HA 0.522 4.993 4.470 0.002 0.000 0.275 1176 S C 0.502 175.096 174.600 -0.011 0.000 1.345 1176 S CA 0.585 58.821 58.200 0.060 0.000 1.031 1176 S CB 1.239 64.488 63.200 0.081 0.000 0.892 1176 S HN 0.462 nan 8.310 nan 0.000 0.529 1177 T N 3.905 118.438 114.554 -0.035 0.000 2.799 1177 T HA 0.242 4.593 4.350 0.002 0.000 0.286 1177 T C 0.052 174.587 174.700 -0.275 0.000 0.973 1177 T CA -0.672 61.282 62.100 -0.244 0.000 1.035 1177 T CB 0.257 68.835 68.868 -0.482 0.000 0.932 1177 T HN 0.467 nan 8.240 nan 0.000 0.469 1178 N N 2.953 121.423 118.700 -0.384 0.000 2.420 1178 N HA 0.113 4.855 4.740 0.002 0.000 0.249 1178 N C -0.866 174.303 175.510 -0.569 0.000 1.033 1178 N CA -0.130 52.633 53.050 -0.480 0.000 0.944 1178 N CB 0.816 38.810 38.487 -0.821 0.000 1.113 1178 N HN 0.597 nan 8.380 nan 0.000 0.502 1179 Y N 2.131 122.302 120.300 -0.213 0.000 2.735 1179 Y HA 0.121 4.672 4.550 0.002 0.000 0.354 1179 Y C 0.071 175.954 175.900 -0.028 0.000 1.288 1179 Y CA -0.597 57.446 58.100 -0.095 0.000 1.836 1179 Y CB -0.691 37.743 38.460 -0.043 0.000 1.920 1179 Y HN 0.406 nan 8.280 nan 0.000 0.438 1180 Y N 1.059 121.422 120.300 0.105 0.000 2.805 1180 Y HA -0.050 4.501 4.550 0.002 0.000 0.331 1180 Y C 0.727 176.676 175.900 0.081 0.000 1.241 1180 Y CA -0.206 57.951 58.100 0.096 0.000 1.546 1180 Y CB 0.197 38.709 38.460 0.087 0.000 1.248 1180 Y HN 0.376 nan 8.280 nan 0.000 0.559 1181 E N 4.198 124.548 120.200 0.250 0.000 2.155 1181 E HA 0.452 4.803 4.350 0.002 0.000 0.264 1181 E C -1.498 175.152 176.600 0.083 0.000 0.886 1181 E CA -0.553 55.922 56.400 0.126 0.000 0.752 1181 E CB 0.655 30.412 29.700 0.095 0.000 1.133 1181 E HN 0.521 nan 8.360 nan 0.000 0.414 1182 L N 3.329 124.554 121.223 0.005 0.000 2.296 1182 L HA 0.447 4.789 4.340 0.002 0.000 0.286 1182 L C -0.084 176.717 176.870 -0.115 0.000 1.023 1182 L CA -0.807 54.016 54.840 -0.029 0.000 0.812 1182 L CB 1.645 43.654 42.059 -0.083 0.000 1.223 1182 L HN 0.415 nan 8.230 nan 0.000 0.421 1183 T N 1.751 116.310 114.554 0.009 0.000 2.767 1183 T HA 0.174 4.526 4.350 0.002 0.000 0.288 1183 T C -0.666 174.112 174.700 0.131 0.000 0.963 1183 T CA -0.196 61.925 62.100 0.035 0.000 1.019 1183 T CB 0.794 69.707 68.868 0.075 0.000 0.923 1183 T HN 0.376 nan 8.240 nan 0.000 0.468 1184 W N 4.814 126.042 121.300 -0.120 0.000 2.311 1184 W HA 0.297 4.958 4.660 0.002 0.000 0.317 1184 W C -0.587 175.983 176.519 0.086 0.000 1.065 1184 W CA -1.324 56.051 57.345 0.050 0.000 1.364 1184 W CB 0.236 29.654 29.460 -0.071 0.000 1.233 1184 W HN 0.521 nan 8.180 nan 0.000 0.409 1185 D N 5.714 126.418 120.400 0.507 0.000 2.411 1185 D HA 0.136 4.777 4.640 0.002 0.000 0.225 1185 D C 0.477 176.912 176.300 0.225 0.000 1.156 1185 D CA 0.119 54.263 54.000 0.240 0.000 0.874 1185 D CB 0.470 41.340 40.800 0.117 0.000 1.034 1185 D HN 0.494 nan 8.370 nan 0.000 0.502 1186 L N 2.493 123.802 121.223 0.143 0.000 2.766 1186 L HA 0.109 4.451 4.340 0.002 0.000 0.242 1186 L C 1.337 178.225 176.870 0.029 0.000 1.136 1186 L CA -0.042 54.898 54.840 0.167 0.000 0.933 1186 L CB 0.338 42.441 42.059 0.073 0.000 1.241 1186 L HN 0.278 nan 8.230 nan 0.000 0.522 1187 D N -1.074 119.303 120.400 -0.039 0.000 2.350 1187 D HA -0.204 4.437 4.640 0.002 0.000 0.216 1187 D C 1.710 177.949 176.300 -0.102 0.000 0.968 1187 D CA 0.689 54.657 54.000 -0.052 0.000 0.894 1187 D CB 0.017 40.794 40.800 -0.037 0.000 0.909 1187 D HN 0.127 nan 8.370 nan 0.000 0.520 1188 Q N -0.766 118.887 119.800 -0.245 0.000 2.444 1188 Q HA -0.005 4.336 4.340 0.002 0.000 0.206 1188 Q C 0.411 176.261 176.000 -0.250 0.000 0.948 1188 Q CA 0.430 56.052 55.803 -0.301 0.000 0.946 1188 Q CB -0.054 28.417 28.738 -0.444 0.000 1.027 1188 Q HN 0.541 nan 8.270 nan 0.000 0.513 1189 Y N 0.249 120.583 120.300 0.057 0.000 2.458 1189 Y HA 0.212 4.764 4.550 0.002 0.000 0.256 1189 Y C 0.320 176.241 175.900 0.035 0.000 1.159 1189 Y CA -0.680 57.477 58.100 0.094 0.000 1.261 1189 Y CB 0.224 38.794 38.460 0.183 0.000 1.119 1189 Y HN -0.163 nan 8.280 nan 0.000 0.524 1190 K N 1.782 122.244 120.400 0.103 0.000 2.530 1190 K HA -0.144 4.177 4.320 0.002 0.000 0.280 1190 K C 0.675 177.305 176.600 0.050 0.000 1.004 1190 K CA 0.689 57.001 56.287 0.041 0.000 1.071 1190 K CB 0.002 32.507 32.500 0.008 0.000 0.876 1190 K HN 0.235 nan 8.250 nan 0.000 0.487 1191 N N 1.515 120.228 118.700 0.023 0.000 2.863 1191 N HA -0.209 4.532 4.740 0.002 0.000 0.245 1191 N C -0.481 175.071 175.510 0.070 0.000 1.001 1191 N CA 1.183 54.252 53.050 0.032 0.000 0.901 1191 N CB -0.870 37.635 38.487 0.030 0.000 1.124 1191 N HN 0.822 nan 8.380 nan 0.000 0.582 1192 D N 0.228 120.696 120.400 0.113 0.000 2.419 1192 D HA 0.074 4.715 4.640 0.002 0.000 0.236 1192 D C 0.482 176.904 176.300 0.203 0.000 1.165 1192 D CA 0.623 54.731 54.000 0.180 0.000 0.882 1192 D CB 0.532 41.507 40.800 0.292 0.000 1.201 1192 D HN 0.023 nan 8.370 nan 0.000 0.443 1193 R N 2.140 122.753 120.500 0.187 0.000 2.627 1193 R HA 0.216 4.557 4.340 0.002 0.000 0.251 1193 R C -0.890 175.472 176.300 0.103 0.000 1.524 1193 R CA -0.483 55.719 56.100 0.170 0.000 1.606 1193 R CB 0.418 30.775 30.300 0.096 0.000 1.396 1193 R HN 0.305 nan 8.270 nan 0.000 0.724 1194 S N 0.634 116.390 115.700 0.094 0.000 2.632 1194 S HA 0.253 4.724 4.470 0.002 0.000 0.267 1194 S C 0.937 175.490 174.600 -0.078 0.000 1.276 1194 S CA -0.434 57.730 58.200 -0.061 0.000 0.998 1194 S CB 1.262 64.335 63.200 -0.212 0.000 0.953 1194 S HN 0.521 nan 8.310 nan 0.000 0.547 1195 S N 0.917 116.567 115.700 -0.083 0.000 2.617 1195 S HA 0.391 4.862 4.470 0.002 0.000 0.255 1195 S C 1.271 175.826 174.600 -0.075 0.000 1.318 1195 S CA -0.228 57.938 58.200 -0.058 0.000 0.978 1195 S CB 0.194 63.367 63.200 -0.045 0.000 0.961 1195 S HN 0.816 nan 8.310 nan 0.000 0.582 1196 A N 0.621 123.415 122.820 -0.044 0.000 1.874 1196 A HA 0.021 4.342 4.320 0.002 0.000 0.214 1196 A C 1.768 179.337 177.584 -0.026 0.000 1.189 1196 A CA 1.333 53.349 52.037 -0.035 0.000 0.615 1196 A CB -1.300 17.693 19.000 -0.011 0.000 0.830 1196 A HN 0.847 nan 8.150 nan 0.000 0.443 1197 D N -0.250 120.138 120.400 -0.019 0.000 2.172 1197 D HA -0.123 4.518 4.640 0.002 0.000 0.196 1197 D C 1.868 178.164 176.300 -0.008 0.000 0.999 1197 D CA 1.942 55.935 54.000 -0.011 0.000 0.856 1197 D CB -0.547 40.246 40.800 -0.013 0.000 0.934 1197 D HN 0.417 nan 8.370 nan 0.000 0.453 1198 T N 0.294 114.835 114.554 -0.023 0.000 2.809 1198 T HA 0.046 4.397 4.350 0.002 0.000 0.260 1198 T C 2.217 176.986 174.700 0.115 0.000 1.039 1198 T CA 0.181 62.280 62.100 -0.003 0.000 1.141 1198 T CB -0.119 68.678 68.868 -0.118 0.000 0.869 1198 T HN 0.101 nan 8.240 nan 0.000 0.437 1199 I N 1.264 121.861 120.570 0.046 0.000 2.248 1199 I HA -0.209 3.962 4.170 0.002 0.000 0.248 1199 I C 2.633 178.772 176.117 0.036 0.000 1.107 1199 I CA 1.184 62.524 61.300 0.067 0.000 1.373 1199 I CB -0.242 37.659 38.000 -0.165 0.000 1.055 1199 I HN 0.164 nan 8.210 nan 0.000 0.418 1200 Q N 1.066 120.877 119.800 0.017 0.000 2.437 1200 Q HA -0.143 4.199 4.340 0.002 0.000 0.210 1200 Q C 1.733 177.724 176.000 -0.016 0.000 0.972 1200 Q CA 1.277 57.087 55.803 0.013 0.000 0.903 1200 Q CB -0.166 28.582 28.738 0.017 0.000 0.967 1200 Q HN 0.353 nan 8.270 nan 0.000 0.486 1201 K N -0.804 119.573 120.400 -0.039 0.000 2.439 1201 K HA 0.123 4.444 4.320 0.002 0.000 0.197 1201 K C 0.579 177.099 176.600 -0.133 0.000 1.041 1201 K CA 0.465 56.724 56.287 -0.046 0.000 0.970 1201 K CB -0.062 32.439 32.500 0.003 0.000 0.773 1201 K HN 0.347 nan 8.250 nan 0.000 0.479 1202 G N 0.567 109.139 108.800 -0.380 0.000 2.757 1202 G HA2 -0.223 3.738 3.960 0.002 0.000 0.638 1202 G HA3 -0.223 3.738 3.960 0.002 0.000 0.638 1202 G C -0.967 173.311 174.900 -1.037 0.000 1.344 1202 G CA -0.928 43.870 45.100 -0.503 0.000 0.855 1202 G HN 0.131 nan 8.290 nan 0.000 0.537 1203 F N -0.279 119.500 119.950 -0.286 0.000 2.617 1203 F HA 0.672 5.200 4.527 0.002 0.000 0.325 1203 F C -0.173 175.547 175.800 -0.133 0.000 1.179 1203 F CA -0.722 57.224 58.000 -0.089 0.000 0.965 1203 F CB 1.867 40.682 39.000 -0.309 0.000 1.232 1203 F HN 0.556 nan 8.300 nan 0.000 0.461 1204 Y N 1.317 121.802 120.300 0.308 0.000 2.545 1204 Y HA 0.590 5.141 4.550 0.002 0.000 0.348 1204 Y C -1.218 174.593 175.900 -0.149 0.000 1.002 1204 Y CA -1.434 56.756 58.100 0.149 0.000 1.039 1204 Y CB 2.333 40.837 38.460 0.073 0.000 1.271 1204 Y HN 0.535 nan 8.280 nan 0.000 0.467 1205 Y N 0.788 121.010 120.300 -0.130 0.000 2.462 1205 Y HA 0.733 5.284 4.550 0.002 0.000 0.346 1205 Y C -1.320 174.683 175.900 0.172 0.000 0.976 1205 Y CA -1.073 56.857 58.100 -0.284 0.000 1.044 1205 Y CB 1.653 39.731 38.460 -0.637 0.000 1.230 1205 Y HN 0.362 nan 8.280 nan 0.000 0.455 1206 V N 4.847 124.741 119.914 -0.034 0.000 2.540 1206 V HA 0.306 4.427 4.120 0.002 0.000 0.302 1206 V C -1.103 175.146 176.094 0.257 0.000 1.035 1206 V CA -0.938 61.480 62.300 0.198 0.000 0.873 1206 V CB 1.738 33.601 31.823 0.066 0.000 0.992 1206 V HN 0.717 nan 8.190 nan 0.000 0.428 1207 D N 3.185 123.842 120.400 0.428 0.000 2.440 1207 D HA 0.182 4.823 4.640 0.002 0.000 0.239 1207 D C -1.167 175.371 176.300 0.396 0.000 1.084 1207 D CA -0.267 53.954 54.000 0.368 0.000 0.843 1207 D CB 1.877 42.923 40.800 0.410 0.000 1.097 1207 D HN 0.596 nan 8.370 nan 0.000 0.531 1208 D N 4.270 124.845 120.400 0.292 0.000 2.468 1208 D HA 0.070 4.712 4.640 0.002 0.000 0.218 1208 D C -0.578 175.835 176.300 0.188 0.000 1.155 1208 D CA -0.342 53.803 54.000 0.243 0.000 0.924 1208 D CB -0.395 40.530 40.800 0.208 0.000 1.029 1208 D HN 0.362 nan 8.370 nan 0.000 0.515 1209 Y N 1.545 121.922 120.300 0.129 0.000 2.376 1209 Y HA 0.679 5.230 4.550 0.002 0.000 0.325 1209 Y C -2.403 173.555 175.900 0.097 0.000 1.199 1209 Y CA -2.947 55.207 58.100 0.090 0.000 1.206 1209 Y CB 0.674 39.191 38.460 0.096 0.000 1.229 1209 Y HN 0.114 nan 8.280 nan 0.000 0.480 1210 P HA 0.046 nan 4.420 nan 0.000 0.274 1210 P C -0.038 177.298 177.300 0.059 0.000 1.470 1210 P CA -0.163 62.981 63.100 0.073 0.000 1.001 1210 P CB 1.147 32.951 31.700 0.173 0.000 1.332 1211 E N 3.633 123.766 120.200 -0.111 0.000 2.347 1211 E HA -0.168 4.183 4.350 0.002 0.000 0.196 1211 E C 0.587 177.203 176.600 0.028 0.000 1.008 1211 E CA 1.162 57.552 56.400 -0.016 0.000 0.852 1211 E CB -0.308 29.302 29.700 -0.150 0.000 0.783 1211 E HN 0.376 nan 8.360 nan 0.000 0.505 1212 E N 0.653 120.859 120.200 0.009 0.000 2.358 1212 E HA 0.046 4.397 4.350 0.002 0.000 0.195 1212 E C 1.560 178.168 176.600 0.013 0.000 1.010 1212 E CA 1.047 57.455 56.400 0.015 0.000 0.856 1212 E CB 0.165 29.875 29.700 0.016 0.000 0.795 1212 E HN 0.456 nan 8.360 nan 0.000 0.504 1213 A N 0.278 123.100 122.820 0.003 0.000 2.055 1213 A HA 0.278 4.600 4.320 0.002 0.000 0.205 1213 A C 1.032 178.532 177.584 -0.140 0.000 1.235 1213 A CA 0.060 52.056 52.037 -0.069 0.000 0.822 1213 A CB 0.457 19.396 19.000 -0.102 0.000 0.903 1213 A HN 0.047 nan 8.150 nan 0.000 0.473 1214 L N -0.016 121.169 121.223 -0.063 0.000 2.354 1214 L HA 0.552 4.893 4.340 0.002 0.000 0.264 1214 L C -0.887 176.000 176.870 0.028 0.000 1.008 1214 L CA -0.683 54.118 54.840 -0.066 0.000 0.819 1214 L CB 2.141 44.172 42.059 -0.048 0.000 1.339 1214 L HN 0.158 nan 8.230 nan 0.000 0.420 1215 E N 1.710 121.886 120.200 -0.041 0.000 2.212 1215 E HA 0.514 4.866 4.350 0.002 0.000 0.268 1215 E C -1.187 175.337 176.600 -0.128 0.000 0.902 1215 E CA -0.800 55.573 56.400 -0.046 0.000 0.779 1215 E CB 2.643 32.316 29.700 -0.045 0.000 1.172 1215 E HN 0.365 nan 8.360 nan 0.000 0.409 1216 L N 2.588 123.702 121.223 -0.182 0.000 2.426 1216 L HA 0.216 4.557 4.340 0.002 0.000 0.271 1216 L C 0.593 177.376 176.870 -0.146 0.000 1.169 1216 L CA -0.128 54.572 54.840 -0.234 0.000 0.836 1216 L CB 0.213 42.089 42.059 -0.306 0.000 1.112 1216 L HN 0.309 nan 8.230 nan 0.000 0.465 1217 R N 2.725 123.145 120.500 -0.135 0.000 3.050 1217 R HA 0.142 4.483 4.340 0.002 0.000 0.275 1217 R C 0.740 176.999 176.300 -0.068 0.000 1.373 1217 R CA -0.394 55.649 56.100 -0.095 0.000 1.612 1217 R CB 0.781 31.020 30.300 -0.101 0.000 1.218 1217 R HN 0.634 nan 8.270 nan 0.000 0.621 1218 Q N 0.540 120.296 119.800 -0.074 0.000 2.103 1218 Q HA -0.263 4.078 4.340 0.002 0.000 0.213 1218 Q C 0.705 176.694 176.000 -0.019 0.000 1.008 1218 Q CA 2.836 58.605 55.803 -0.056 0.000 0.879 1218 Q CB -0.090 28.607 28.738 -0.069 0.000 0.946 1218 Q HN 0.579 nan 8.270 nan 0.000 0.413 1219 D N -0.503 119.886 120.400 -0.018 0.000 2.310 1219 D HA -0.088 4.554 4.640 0.002 0.000 0.212 1219 D C 0.853 177.163 176.300 0.016 0.000 0.965 1219 D CA 0.735 54.734 54.000 -0.002 0.000 0.879 1219 D CB -0.043 40.752 40.800 -0.009 0.000 0.921 1219 D HN 0.233 nan 8.370 nan 0.000 0.510 1220 L N 0.738 121.973 121.223 0.019 0.000 2.653 1220 L HA 0.203 4.544 4.340 0.002 0.000 0.231 1220 L C 0.054 176.965 176.870 0.067 0.000 1.153 1220 L CA -0.312 54.555 54.840 0.045 0.000 0.933 1220 L CB 0.341 42.428 42.059 0.047 0.000 1.175 1220 L HN -0.043 nan 8.230 nan 0.000 0.473 1221 V N 2.604 122.561 119.914 0.071 0.000 2.521 1221 V HA 0.064 4.186 4.120 0.002 0.000 0.286 1221 V C 0.295 176.451 176.094 0.103 0.000 1.034 1221 V CA 0.094 62.464 62.300 0.117 0.000 1.045 1221 V CB 0.856 32.782 31.823 0.171 0.000 0.974 1221 V HN 0.383 nan 8.190 nan 0.000 0.480 1222 K N 5.818 126.271 120.400 0.089 0.000 2.464 1222 K HA 0.740 5.061 4.320 0.002 0.000 0.253 1222 K C -1.543 175.071 176.600 0.023 0.000 0.933 1222 K CA -0.838 55.484 56.287 0.058 0.000 0.801 1222 K CB 2.527 35.053 32.500 0.044 0.000 1.271 1222 K HN 0.432 nan 8.250 nan 0.000 0.430 1223 I N 2.252 122.831 120.570 0.015 0.000 2.410 1223 I HA 0.254 4.425 4.170 0.002 0.000 0.286 1223 I C -0.561 175.530 176.117 -0.043 0.000 1.009 1223 I CA -0.717 60.565 61.300 -0.031 0.000 1.111 1223 I CB 2.146 40.143 38.000 -0.005 0.000 1.262 1223 I HN 0.823 nan 8.210 nan 0.000 0.443 1224 T N 0.527 115.039 114.554 -0.070 0.000 2.893 1224 T HA 0.525 4.877 4.350 0.002 0.000 0.291 1224 T C -0.606 174.022 174.700 -0.120 0.000 1.028 1224 T CA -0.943 61.116 62.100 -0.069 0.000 0.995 1224 T CB 2.208 71.051 68.868 -0.041 0.000 1.051 1224 T HN 0.552 nan 8.240 nan 0.000 0.470 1225 D N 1.515 121.843 120.400 -0.120 0.000 2.423 1225 D HA 0.492 5.133 4.640 0.002 0.000 0.255 1225 D C 1.499 177.756 176.300 -0.071 0.000 1.174 1225 D CA -0.506 53.405 54.000 -0.147 0.000 1.008 1225 D CB 0.514 41.281 40.800 -0.055 0.000 1.101 1225 D HN 0.623 nan 8.370 nan 0.000 0.516 1226 A N 0.339 123.123 122.820 -0.061 0.000 1.969 1226 A HA -0.171 4.151 4.320 0.002 0.000 0.218 1226 A C 1.559 179.128 177.584 -0.024 0.000 1.169 1226 A CA 0.914 52.928 52.037 -0.039 0.000 0.635 1226 A CB -0.730 18.248 19.000 -0.036 0.000 0.810 1226 A HN 0.570 nan 8.150 nan 0.000 0.445 1227 N N -0.433 118.259 118.700 -0.014 0.000 2.515 1227 N HA 0.120 4.862 4.740 0.002 0.000 0.191 1227 N C 1.201 176.705 175.510 -0.011 0.000 1.182 1227 N CA 1.062 54.105 53.050 -0.012 0.000 0.879 1227 N CB 0.123 38.603 38.487 -0.012 0.000 0.984 1227 N HN 0.668 nan 8.380 nan 0.000 0.453 1228 G N 0.199 108.991 108.800 -0.013 0.000 2.205 1228 G HA2 -0.286 3.675 3.960 0.002 0.000 0.261 1228 G HA3 -0.286 3.675 3.960 0.002 0.000 0.261 1228 G C 0.070 174.966 174.900 -0.006 0.000 0.980 1228 G CA -0.293 44.799 45.100 -0.013 0.000 0.632 1228 G HN 0.338 nan 8.290 nan 0.000 0.533 1229 N N 1.410 120.113 118.700 0.004 0.000 2.458 1229 N HA 0.225 4.966 4.740 0.002 0.000 0.258 1229 N C 0.457 175.976 175.510 0.014 0.000 1.219 1229 N CA 0.320 53.380 53.050 0.017 0.000 0.902 1229 N CB 0.817 39.327 38.487 0.040 0.000 1.076 1229 N HN 0.709 nan 8.380 nan 0.000 0.455 1230 E N 0.991 121.199 120.200 0.014 0.000 2.415 1230 E HA 0.059 4.410 4.350 0.002 0.000 0.262 1230 E C -0.768 175.851 176.600 0.032 0.000 1.038 1230 E CA -0.305 56.103 56.400 0.013 0.000 0.921 1230 E CB 0.716 30.427 29.700 0.019 0.000 0.950 1230 E HN 0.150 nan 8.360 nan 0.000 0.438 1231 V N 4.377 124.300 119.914 0.014 0.000 2.407 1231 V HA 0.210 4.331 4.120 0.002 0.000 0.278 1231 V C 0.460 176.603 176.094 0.082 0.000 1.037 1231 V CA -0.308 62.015 62.300 0.038 0.000 0.900 1231 V CB 1.189 32.945 31.823 -0.111 0.000 0.983 1231 V HN 0.873 nan 8.190 nan 0.000 0.459 1232 T N 1.077 115.706 114.554 0.125 0.000 2.948 1232 T HA 0.687 5.039 4.350 0.002 0.000 0.285 1232 T C 0.966 175.759 174.700 0.154 0.000 1.019 1232 T CA 0.164 62.332 62.100 0.114 0.000 1.013 1232 T CB 1.669 70.587 68.868 0.084 0.000 1.117 1232 T HN 1.648 nan 8.240 nan 0.000 0.533 1233 G N -0.370 108.508 108.800 0.130 0.000 2.176 1233 G HA2 -0.189 3.772 3.960 0.002 0.000 0.253 1233 G HA3 -0.189 3.772 3.960 0.002 0.000 0.253 1233 G C -0.019 174.975 174.900 0.157 0.000 0.979 1233 G CA -0.001 45.186 45.100 0.145 0.000 0.641 1233 G HN 1.158 nan 8.290 nan 0.000 0.530 1234 V N 2.267 122.280 119.914 0.165 0.000 2.357 1234 V HA 0.669 4.790 4.120 0.002 0.000 0.284 1234 V C 0.678 176.875 176.094 0.171 0.000 1.018 1234 V CA -0.041 62.364 62.300 0.176 0.000 0.841 1234 V CB 1.444 33.407 31.823 0.232 0.000 0.991 1234 V HN 0.901 nan 8.190 nan 0.000 0.437 1235 S N 4.638 120.422 115.700 0.138 0.000 2.617 1235 S HA 0.753 5.225 4.470 0.002 0.000 0.283 1235 S C -0.589 174.061 174.600 0.083 0.000 1.189 1235 S CA -0.687 57.573 58.200 0.101 0.000 1.036 1235 S CB 2.044 65.281 63.200 0.062 0.000 1.014 1235 S HN 0.651 nan 8.310 nan 0.000 0.522 1236 V N 1.364 121.269 119.914 -0.015 0.000 2.495 1236 V HA 0.626 4.747 4.120 0.002 0.000 0.298 1236 V C -1.722 174.215 176.094 -0.262 0.000 1.031 1236 V CA -0.475 61.682 62.300 -0.238 0.000 0.871 1236 V CB 1.598 33.226 31.823 -0.324 0.000 0.988 1236 V HN 1.078 nan 8.190 nan 0.000 0.432 1237 D N 4.224 124.413 120.400 -0.351 0.000 2.780 1237 D HA 0.492 5.133 4.640 0.002 0.000 0.242 1237 D C -1.214 174.710 176.300 -0.626 0.000 1.135 1237 D CA -0.481 53.241 54.000 -0.463 0.000 0.859 1237 D CB 1.351 41.859 40.800 -0.487 0.000 1.530 1237 D HN 0.600 nan 8.370 nan 0.000 0.493 1238 N N 1.869 120.197 118.700 -0.619 0.000 2.419 1238 N HA 0.297 5.039 4.740 0.002 0.000 0.277 1238 N C -1.270 173.839 175.510 -0.669 0.000 1.006 1238 N CA -0.361 52.393 53.050 -0.493 0.000 0.923 1238 N CB 0.976 39.306 38.487 -0.261 0.000 1.140 1238 N HN 0.347 nan 8.380 nan 0.000 0.488 1239 Y N -0.096 119.947 120.300 -0.428 0.000 2.364 1239 Y HA 0.206 4.757 4.550 0.002 0.000 0.340 1239 Y C 1.824 177.475 175.900 -0.414 0.000 0.975 1239 Y CA -0.869 56.929 58.100 -0.504 0.000 1.089 1239 Y CB 1.561 39.516 38.460 -0.842 0.000 1.192 1239 Y HN 0.482 nan 8.280 nan 0.000 0.454 1240 T N -2.362 112.148 114.554 -0.074 0.000 3.023 1240 T HA 0.121 4.473 4.350 0.002 0.000 0.266 1240 T C 0.438 175.114 174.700 -0.039 0.000 1.093 1240 T CA 0.793 62.861 62.100 -0.054 0.000 1.129 1240 T CB -0.152 68.703 68.868 -0.022 0.000 0.899 1240 T HN 0.546 nan 8.240 nan 0.000 0.491 1241 S N -0.648 115.043 115.700 -0.016 0.000 2.611 1241 S HA 0.525 4.996 4.470 0.002 0.000 0.268 1241 S C 0.170 174.860 174.600 0.149 0.000 1.156 1241 S CA -0.874 57.365 58.200 0.064 0.000 0.817 1241 S CB 1.232 64.452 63.200 0.033 0.000 1.122 1241 S HN -0.039 nan 8.310 nan 0.000 0.466 1242 L N 1.560 122.918 121.223 0.224 0.000 2.083 1242 L HA 0.115 4.456 4.340 0.002 0.000 0.209 1242 L C 2.485 179.380 176.870 0.041 0.000 1.083 1242 L CA 2.472 57.428 54.840 0.194 0.000 0.752 1242 L CB -1.109 40.980 42.059 0.050 0.000 0.899 1242 L HN 1.024 nan 8.230 nan 0.000 0.433 1243 E N -0.804 119.406 120.200 0.017 0.000 2.153 1243 E HA -0.206 4.146 4.350 0.002 0.000 0.194 1243 E C 1.918 178.503 176.600 -0.025 0.000 0.988 1243 E CA 1.052 57.444 56.400 -0.013 0.000 0.811 1243 E CB -0.062 29.633 29.700 -0.008 0.000 0.746 1243 E HN 0.561 nan 8.360 nan 0.000 0.466 1244 A N 0.689 123.499 122.820 -0.017 0.000 2.169 1244 A HA 0.332 4.653 4.320 0.002 0.000 0.212 1244 A C 1.149 178.683 177.584 -0.082 0.000 1.153 1244 A CA 0.565 52.594 52.037 -0.013 0.000 0.756 1244 A CB -0.182 18.838 19.000 0.033 0.000 0.813 1244 A HN 0.327 nan 8.150 nan 0.000 0.471 1245 A N 0.986 123.657 122.820 -0.247 0.000 2.407 1245 A HA 0.536 4.857 4.320 0.002 0.000 0.248 1245 A C -2.258 175.142 177.584 -0.307 0.000 1.082 1245 A CA -1.191 50.465 52.037 -0.636 0.000 0.785 1245 A CB -0.279 18.357 19.000 -0.607 0.000 1.020 1245 A HN 0.243 nan 8.150 nan 0.000 0.489 1246 P HA 0.092 nan 4.420 nan 0.000 0.271 1246 P C 0.499 177.730 177.300 -0.116 0.000 1.233 1246 P CA -0.155 62.879 63.100 -0.110 0.000 0.789 1246 P CB 0.485 32.160 31.700 -0.042 0.000 0.951 1247 Q N 1.495 121.251 119.800 -0.074 0.000 2.135 1247 Q HA -0.249 4.093 4.340 0.002 0.000 0.204 1247 Q C 1.981 177.932 176.000 -0.080 0.000 0.981 1247 Q CA 2.268 58.027 55.803 -0.073 0.000 0.856 1247 Q CB -0.751 27.957 28.738 -0.049 0.000 0.902 1247 Q HN 0.618 nan 8.270 nan 0.000 0.425 1248 E N -0.502 119.663 120.200 -0.058 0.000 2.049 1248 E HA -0.216 4.135 4.350 0.002 0.000 0.198 1248 E C 1.613 178.144 176.600 -0.116 0.000 1.007 1248 E CA 1.874 58.243 56.400 -0.051 0.000 0.809 1248 E CB -0.347 29.358 29.700 0.009 0.000 0.749 1248 E HN 0.402 nan 8.360 nan 0.000 0.450 1249 I N 1.122 121.614 120.570 -0.130 0.000 2.202 1249 I HA -0.178 3.993 4.170 0.002 0.000 0.242 1249 I C 2.576 178.562 176.117 -0.218 0.000 1.091 1249 I CA 1.450 62.634 61.300 -0.194 0.000 1.368 1249 I CB -1.286 36.605 38.000 -0.182 0.000 1.058 1249 I HN 0.215 nan 8.210 nan 0.000 0.410 1250 R N 0.702 121.093 120.500 -0.182 0.000 2.103 1250 R HA -0.206 4.135 4.340 0.002 0.000 0.242 1250 R C 1.871 178.064 176.300 -0.177 0.000 1.142 1250 R CA 1.707 57.703 56.100 -0.173 0.000 0.960 1250 R CB -0.376 29.845 30.300 -0.132 0.000 0.858 1250 R HN 0.391 nan 8.270 nan 0.000 0.439 1251 D N 0.129 120.435 120.400 -0.156 0.000 2.097 1251 D HA -0.095 4.546 4.640 0.002 0.000 0.197 1251 D C 2.049 178.241 176.300 -0.181 0.000 0.984 1251 D CA 0.953 54.867 54.000 -0.143 0.000 0.826 1251 D CB -0.269 40.467 40.800 -0.106 0.000 0.973 1251 D HN -0.022 nan 8.370 nan 0.000 0.460 1252 V N 1.158 120.927 119.914 -0.241 0.000 2.287 1252 V HA -0.243 3.878 4.120 0.002 0.000 0.248 1252 V C 2.662 178.576 176.094 -0.300 0.000 1.053 1252 V CA 1.304 63.415 62.300 -0.314 0.000 1.027 1252 V CB -0.517 30.948 31.823 -0.598 0.000 0.646 1252 V HN 0.197 nan 8.190 nan 0.000 0.447 1253 L N -0.158 120.871 121.223 -0.322 0.000 2.017 1253 L HA -0.176 4.165 4.340 0.002 0.000 0.208 1253 L C 2.753 179.454 176.870 -0.283 0.000 1.073 1253 L CA 1.918 56.553 54.840 -0.341 0.000 0.745 1253 L CB -0.718 41.103 42.059 -0.396 0.000 0.894 1253 L HN 0.424 nan 8.230 nan 0.000 0.432 1254 S N 0.162 115.725 115.700 -0.229 0.000 2.359 1254 S HA -0.216 4.255 4.470 0.002 0.000 0.224 1254 S C 1.954 176.460 174.600 -0.158 0.000 1.035 1254 S CA 1.488 59.579 58.200 -0.181 0.000 1.018 1254 S CB -0.082 63.030 63.200 -0.146 0.000 0.876 1254 S HN 0.337 nan 8.310 nan 0.000 0.448 1255 K N 0.625 120.935 120.400 -0.149 0.000 2.365 1255 K HA 0.159 4.481 4.320 0.002 0.000 0.199 1255 K C 1.788 178.309 176.600 -0.131 0.000 1.045 1255 K CA 0.804 57.018 56.287 -0.121 0.000 0.962 1255 K CB -0.150 32.289 32.500 -0.102 0.000 0.759 1255 K HN 0.440 nan 8.250 nan 0.000 0.469 1256 A N 0.523 123.240 122.820 -0.170 0.000 2.275 1256 A HA 0.246 4.568 4.320 0.002 0.000 0.212 1256 A C 1.245 178.713 177.584 -0.193 0.000 1.201 1256 A CA 0.492 52.419 52.037 -0.184 0.000 0.843 1256 A CB -0.137 18.736 19.000 -0.212 0.000 0.873 1256 A HN 0.324 nan 8.150 nan 0.000 0.492 1257 G N -0.350 108.341 108.800 -0.183 0.000 2.221 1257 G HA2 -0.232 3.729 3.960 0.002 0.000 0.265 1257 G HA3 -0.232 3.729 3.960 0.002 0.000 0.265 1257 G C -0.050 174.713 174.900 -0.228 0.000 1.041 1257 G CA 0.543 45.542 45.100 -0.169 0.000 0.807 1257 G HN 0.511 nan 8.290 nan 0.000 0.502 1258 I N -0.178 120.192 120.570 -0.332 0.000 2.362 1258 I HA 0.463 4.635 4.170 0.002 0.000 0.289 1258 I C 0.515 176.356 176.117 -0.460 0.000 0.994 1258 I CA -0.792 60.193 61.300 -0.525 0.000 1.158 1258 I CB 1.788 39.327 38.000 -0.769 0.000 1.315 1258 I HN 0.122 nan 8.210 nan 0.000 0.451 1259 R N 7.817 128.082 120.500 -0.391 0.000 2.412 1259 R HA 0.491 4.833 4.340 0.002 0.000 0.304 1259 R C -2.668 173.450 176.300 -0.303 0.000 1.066 1259 R CA -1.459 54.448 56.100 -0.322 0.000 0.923 1259 R CB 1.244 31.423 30.300 -0.201 0.000 1.156 1259 R HN 0.286 nan 8.270 nan 0.000 0.513 1260 P HA 0.050 nan 4.420 nan 0.000 0.271 1260 P C -1.305 175.924 177.300 -0.119 0.000 1.216 1260 P CA -0.320 62.608 63.100 -0.285 0.000 0.776 1260 P CB 0.742 32.102 31.700 -0.566 0.000 0.881 1261 K N 2.255 122.630 120.400 -0.041 0.000 2.276 1261 K HA 0.420 4.742 4.320 0.002 0.000 0.285 1261 K C 0.993 177.592 176.600 -0.002 0.000 1.062 1261 K CA 0.207 56.483 56.287 -0.018 0.000 0.918 1261 K CB -0.135 32.360 32.500 -0.008 0.000 1.055 1261 K HN 0.691 nan 8.250 nan 0.000 0.477 1262 G N 3.240 112.045 108.800 0.009 0.000 2.596 1262 G HA2 -0.365 3.596 3.960 0.002 0.000 0.304 1262 G HA3 -0.365 3.596 3.960 0.002 0.000 0.304 1262 G C -0.121 174.802 174.900 0.038 0.000 1.189 1262 G CA 0.031 45.130 45.100 -0.001 0.000 0.986 1262 G HN 0.970 nan 8.290 nan 0.000 0.548 1263 A N 0.093 122.840 122.820 -0.123 0.000 2.293 1263 A HA 0.931 5.252 4.320 0.002 0.000 0.302 1263 A C -0.307 177.170 177.584 -0.178 0.000 1.119 1263 A CA 0.691 52.607 52.037 -0.202 0.000 0.823 1263 A CB 0.547 19.337 19.000 -0.349 0.000 1.097 1263 A HN 2.151 nan 8.150 nan 0.000 0.491 1264 F N -1.638 118.281 119.950 -0.051 0.000 2.678 1264 F HA 0.592 5.120 4.527 0.002 0.000 0.308 1264 F C -0.846 175.119 175.800 0.276 0.000 1.118 1264 F CA -0.948 57.130 58.000 0.130 0.000 0.959 1264 F CB 1.090 40.136 39.000 0.076 0.000 1.305 1264 F HN 0.545 nan 8.300 nan 0.000 0.443 1265 Q N 2.552 122.600 119.800 0.413 0.000 2.230 1265 Q HA 0.626 4.967 4.340 0.002 0.000 0.253 1265 Q C -1.073 175.069 176.000 0.236 0.000 0.919 1265 Q CA -1.016 54.856 55.803 0.114 0.000 0.908 1265 Q CB 2.609 31.336 28.738 -0.019 0.000 1.245 1265 Q HN 0.501 nan 8.270 nan 0.000 0.437 1266 I N 2.711 123.321 120.570 0.067 0.000 2.406 1266 I HA 0.363 4.535 4.170 0.002 0.000 0.290 1266 I C -0.765 175.330 176.117 -0.037 0.000 0.999 1266 I CA -0.524 60.906 61.300 0.216 0.000 1.124 1266 I CB 0.903 39.144 38.000 0.401 0.000 1.289 1266 I HN 0.539 nan 8.210 nan 0.000 0.441 1267 F N 5.317 125.416 119.950 0.248 0.000 2.427 1267 F HA 0.553 5.081 4.527 0.002 0.000 0.346 1267 F C 0.594 176.527 175.800 0.222 0.000 1.120 1267 F CA -0.660 57.466 58.000 0.211 0.000 1.033 1267 F CB 1.367 40.494 39.000 0.212 0.000 1.126 1267 F HN 0.356 nan 8.300 nan 0.000 0.462 1268 R N 2.337 123.006 120.500 0.282 0.000 2.561 1268 R HA 0.772 5.113 4.340 0.002 0.000 0.297 1268 R C -1.116 175.172 176.300 -0.021 0.000 0.969 1268 R CA -0.844 55.296 56.100 0.067 0.000 0.879 1268 R CB 1.502 31.869 30.300 0.112 0.000 1.178 1268 R HN 0.783 nan 8.270 nan 0.000 0.445 1269 A N 3.679 126.375 122.820 -0.208 0.000 2.396 1269 A HA 0.123 4.444 4.320 0.002 0.000 0.279 1269 A C 0.242 177.782 177.584 -0.073 0.000 1.165 1269 A CA -0.390 51.527 52.037 -0.200 0.000 0.824 1269 A CB 0.278 18.936 19.000 -0.569 0.000 1.100 1269 A HN 0.912 nan 8.150 nan 0.000 0.516 1270 D N 1.076 121.491 120.400 0.024 0.000 2.123 1270 D HA -0.103 4.538 4.640 0.002 0.000 0.196 1270 D C 0.359 176.693 176.300 0.056 0.000 0.992 1270 D CA 1.668 55.695 54.000 0.044 0.000 0.833 1270 D CB 0.132 40.972 40.800 0.066 0.000 0.954 1270 D HN 0.564 nan 8.370 nan 0.000 0.455 1271 N N -0.494 118.260 118.700 0.090 0.000 2.573 1271 N HA 0.148 4.889 4.740 0.002 0.000 0.262 1271 N C -2.206 173.410 175.510 0.176 0.000 1.029 1271 N CA -1.920 51.196 53.050 0.110 0.000 0.882 1271 N CB 2.062 40.608 38.487 0.098 0.000 1.204 1271 N HN -0.287 nan 8.380 nan 0.000 0.519 1272 P HA -0.184 nan 4.420 nan 0.000 0.213 1272 P C 1.326 178.852 177.300 0.378 0.000 1.170 1272 P CA 1.281 64.594 63.100 0.354 0.000 0.902 1272 P CB 0.374 32.212 31.700 0.230 0.000 0.789 1273 R N 0.929 121.572 120.500 0.239 0.000 2.112 1273 R HA -0.223 4.118 4.340 0.002 0.000 0.242 1273 R C 2.213 178.634 176.300 0.201 0.000 1.137 1273 R CA 2.469 58.694 56.100 0.207 0.000 0.944 1273 R CB -1.606 28.769 30.300 0.125 0.000 0.857 1273 R HN 0.240 nan 8.270 nan 0.000 0.435 1274 E N -1.325 118.963 120.200 0.147 0.000 2.106 1274 E HA -0.185 4.167 4.350 0.002 0.000 0.192 1274 E C 1.852 178.476 176.600 0.040 0.000 0.984 1274 E CA 1.112 57.557 56.400 0.075 0.000 0.806 1274 E CB -0.343 29.394 29.700 0.061 0.000 0.750 1274 E HN 0.430 nan 8.360 nan 0.000 0.458 1275 F N 0.424 120.356 119.950 -0.031 0.000 2.102 1275 F HA -0.237 4.291 4.527 0.002 0.000 0.298 1275 F C 2.138 177.777 175.800 -0.267 0.000 1.105 1275 F CA 1.913 59.844 58.000 -0.115 0.000 1.239 1275 F CB -0.605 38.309 39.000 -0.142 0.000 0.991 1275 F HN 0.138 nan 8.300 nan 0.000 0.474 1276 Y N 1.549 121.733 120.300 -0.194 0.000 2.030 1276 Y HA -0.338 4.213 4.550 0.002 0.000 0.274 1276 Y C 2.352 178.107 175.900 -0.241 0.000 1.153 1276 Y CA 2.371 60.304 58.100 -0.278 0.000 1.115 1276 Y CB -0.944 37.550 38.460 0.057 0.000 0.969 1276 Y HN 0.091 nan 8.280 nan 0.000 0.488 1277 D N -0.913 119.419 120.400 -0.113 0.000 2.149 1277 D HA -0.160 4.481 4.640 0.002 0.000 0.198 1277 D C 2.106 178.183 176.300 -0.373 0.000 0.990 1277 D CA 1.982 55.856 54.000 -0.209 0.000 0.839 1277 D CB -0.421 40.346 40.800 -0.056 0.000 0.948 1277 D HN 0.449 nan 8.370 nan 0.000 0.460 1278 T N -0.879 113.375 114.554 -0.500 0.000 2.851 1278 T HA -0.077 4.274 4.350 0.002 0.000 0.262 1278 T C 1.224 175.368 174.700 -0.927 0.000 1.043 1278 T CA 0.944 62.571 62.100 -0.788 0.000 1.140 1278 T CB -0.020 68.152 68.868 -1.159 0.000 0.872 1278 T HN 0.213 nan 8.240 nan 0.000 0.446 1279 Y N -0.956 118.958 120.300 -0.643 0.000 2.441 1279 Y HA 0.397 4.948 4.550 0.002 0.000 0.266 1279 Y C 1.974 177.526 175.900 -0.579 0.000 1.093 1279 Y CA -0.527 57.176 58.100 -0.662 0.000 1.246 1279 Y CB 0.213 38.089 38.460 -0.973 0.000 1.262 1279 Y HN -0.056 nan 8.280 nan 0.000 0.518 1280 V N 1.269 120.865 119.914 -0.530 0.000 2.403 1280 V HA -0.156 3.966 4.120 0.002 0.000 0.239 1280 V C 2.213 178.132 176.094 -0.291 0.000 1.041 1280 V CA 1.841 63.920 62.300 -0.368 0.000 1.051 1280 V CB -0.524 31.038 31.823 -0.434 0.000 0.704 1280 V HN 0.309 nan 8.190 nan 0.000 0.472 1281 K N 1.588 121.613 120.400 -0.625 0.000 2.442 1281 K HA -0.159 4.162 4.320 0.002 0.000 0.198 1281 K C 1.451 177.925 176.600 -0.211 0.000 1.044 1281 K CA 1.868 57.903 56.287 -0.421 0.000 0.948 1281 K CB -0.408 31.746 32.500 -0.577 0.000 0.762 1281 K HN 0.633 nan 8.250 nan 0.000 0.472 1282 T N -3.863 110.558 114.554 -0.223 0.000 3.054 1282 T HA 0.248 4.599 4.350 0.002 0.000 0.255 1282 T C 1.097 175.741 174.700 -0.094 0.000 1.035 1282 T CA 0.102 62.113 62.100 -0.148 0.000 0.941 1282 T CB 0.385 69.144 68.868 -0.182 0.000 1.026 1282 T HN 0.342 nan 8.240 nan 0.000 0.533 1283 G N 1.825 110.584 108.800 -0.068 0.000 2.323 1283 G HA2 -0.200 3.761 3.960 0.002 0.000 0.292 1283 G HA3 -0.200 3.761 3.960 0.002 0.000 0.292 1283 G C -0.243 174.631 174.900 -0.044 0.000 1.040 1283 G CA -0.030 45.057 45.100 -0.022 0.000 0.942 1283 G HN 0.605 nan 8.290 nan 0.000 0.506 1284 I N 1.371 121.901 120.570 -0.066 0.000 2.297 1284 I HA 0.272 4.443 4.170 0.002 0.000 0.291 1284 I C 0.167 176.225 176.117 -0.099 0.000 1.033 1284 I CA -0.931 60.337 61.300 -0.053 0.000 1.253 1284 I CB 1.057 39.067 38.000 0.016 0.000 1.396 1284 I HN 0.041 nan 8.210 nan 0.000 0.476 1285 D N 6.999 127.358 120.400 -0.069 0.000 2.414 1285 D HA 0.280 4.922 4.640 0.002 0.000 0.242 1285 D C -0.063 176.166 176.300 -0.118 0.000 1.129 1285 D CA 0.206 54.171 54.000 -0.058 0.000 0.885 1285 D CB 0.902 41.697 40.800 -0.008 0.000 1.198 1285 D HN 0.262 nan 8.370 nan 0.000 0.437 1286 L N 1.130 122.282 121.223 -0.117 0.000 2.334 1286 L HA 0.453 4.795 4.340 0.002 0.000 0.272 1286 L C 0.382 177.205 176.870 -0.078 0.000 1.020 1286 L CA -0.954 53.789 54.840 -0.161 0.000 0.812 1286 L CB 1.414 43.327 42.059 -0.243 0.000 1.264 1286 L HN 0.157 nan 8.230 nan 0.000 0.439 1287 K N 2.768 123.105 120.400 -0.104 0.000 2.358 1287 K HA 0.604 4.925 4.320 0.002 0.000 0.260 1287 K C -1.332 175.187 176.600 -0.136 0.000 0.956 1287 K CA -0.431 55.798 56.287 -0.096 0.000 0.834 1287 K CB 1.303 33.769 32.500 -0.056 0.000 1.102 1287 K HN 0.535 nan 8.250 nan 0.000 0.431 1288 I N 4.573 125.015 120.570 -0.213 0.000 2.354 1288 I HA 0.243 4.414 4.170 0.002 0.000 0.292 1288 I C -0.657 175.382 176.117 -0.131 0.000 0.989 1288 I CA -1.207 59.932 61.300 -0.269 0.000 1.188 1288 I CB 1.931 39.553 38.000 -0.630 0.000 1.342 1288 I HN 0.293 nan 8.210 nan 0.000 0.457 1289 V N 4.850 124.741 119.914 -0.039 0.000 2.370 1289 V HA 0.345 4.467 4.120 0.002 0.000 0.283 1289 V C 0.118 176.272 176.094 0.100 0.000 1.023 1289 V CA -0.363 61.971 62.300 0.057 0.000 0.857 1289 V CB 1.463 33.340 31.823 0.090 0.000 0.985 1289 V HN 0.770 nan 8.190 nan 0.000 0.443 1290 S N 6.822 122.611 115.700 0.147 0.000 2.395 1290 S HA 0.510 4.981 4.470 0.002 0.000 0.207 1290 S C -2.744 171.929 174.600 0.122 0.000 1.454 1290 S CA -1.251 57.053 58.200 0.174 0.000 1.211 1290 S CB 1.021 64.392 63.200 0.285 0.000 1.093 1290 S HN 0.533 nan 8.310 nan 0.000 0.472 1291 P HA 0.378 nan 4.420 nan 0.000 0.276 1291 P C -0.849 176.337 177.300 -0.189 0.000 1.230 1291 P CA -0.081 62.893 63.100 -0.210 0.000 0.776 1291 P CB 0.578 32.064 31.700 -0.356 0.000 0.888 1292 M N 1.799 121.255 119.600 -0.240 0.000 2.326 1292 M HA 0.331 4.813 4.480 0.002 0.000 0.292 1292 M C -1.012 175.157 176.300 -0.219 0.000 1.081 1292 M CA -0.958 54.236 55.300 -0.177 0.000 0.919 1292 M CB 2.448 35.024 32.600 -0.040 0.000 1.634 1292 M HN -0.076 nan 8.290 nan 0.000 0.451 1293 V N 3.129 122.937 119.914 -0.176 0.000 2.509 1293 V HA 0.335 4.457 4.120 0.002 0.000 0.284 1293 V C 0.062 176.073 176.094 -0.139 0.000 1.047 1293 V CA -0.896 61.314 62.300 -0.149 0.000 0.952 1293 V CB 1.615 33.372 31.823 -0.110 0.000 0.988 1293 V HN 0.623 nan 8.190 nan 0.000 0.469 1294 V N 5.129 124.967 119.914 -0.127 0.000 2.470 1294 V HA 0.129 4.250 4.120 0.002 0.000 0.276 1294 V C 0.689 176.735 176.094 -0.079 0.000 1.040 1294 V CA -0.537 61.680 62.300 -0.139 0.000 1.008 1294 V CB 0.297 32.073 31.823 -0.078 0.000 0.990 1294 V HN 0.811 nan 8.190 nan 0.000 0.477 1295 K N 3.835 124.187 120.400 -0.079 0.000 2.485 1295 K HA -0.009 4.313 4.320 0.002 0.000 0.277 1295 K C 1.387 177.962 176.600 -0.042 0.000 0.990 1295 K CA -0.011 56.244 56.287 -0.053 0.000 0.994 1295 K CB 0.606 33.081 32.500 -0.042 0.000 0.906 1295 K HN 0.625 nan 8.250 nan 0.000 0.488 1296 K N 2.756 123.120 120.400 -0.059 0.000 2.059 1296 K HA -0.350 3.971 4.320 0.002 0.000 0.212 1296 K C 1.982 178.546 176.600 -0.061 0.000 1.050 1296 K CA 2.107 58.341 56.287 -0.088 0.000 0.927 1296 K CB 0.002 32.415 32.500 -0.146 0.000 0.714 1296 K HN 0.650 nan 8.250 nan 0.000 0.447 1297 Q N -0.170 119.604 119.800 -0.045 0.000 2.173 1297 Q HA -0.216 4.125 4.340 0.002 0.000 0.208 1297 Q C 1.938 177.950 176.000 0.019 0.000 0.989 1297 Q CA 1.853 57.645 55.803 -0.017 0.000 0.872 1297 Q CB -0.052 28.677 28.738 -0.015 0.000 0.909 1297 Q HN 0.360 nan 8.270 nan 0.000 0.420 1298 M N -0.417 119.198 119.600 0.026 0.000 2.267 1298 M HA -0.088 4.393 4.480 0.002 0.000 0.263 1298 M C 2.125 178.481 176.300 0.094 0.000 1.063 1298 M CA 1.505 56.841 55.300 0.060 0.000 1.090 1298 M CB -1.146 31.491 32.600 0.060 0.000 1.392 1298 M HN 0.417 nan 8.290 nan 0.000 0.422 1299 G N -0.645 108.227 108.800 0.119 0.000 2.572 1299 G HA2 -0.140 3.822 3.960 0.002 0.000 0.216 1299 G HA3 -0.140 3.822 3.960 0.002 0.000 0.216 1299 G C 1.501 176.556 174.900 0.258 0.000 1.133 1299 G CA 0.167 45.409 45.100 0.235 0.000 0.791 1299 G HN 0.406 nan 8.290 nan 0.000 0.538 1300 Q N 0.288 120.176 119.800 0.148 0.000 2.212 1300 Q HA -0.041 4.301 4.340 0.002 0.000 0.199 1300 Q C 2.587 178.634 176.000 0.079 0.000 0.950 1300 Q CA 1.684 57.555 55.803 0.114 0.000 0.863 1300 Q CB -0.176 28.591 28.738 0.048 0.000 0.944 1300 Q HN 0.651 nan 8.270 nan 0.000 0.465 1301 T N -3.526 111.069 114.554 0.068 0.000 2.990 1301 T HA 0.392 4.743 4.350 0.002 0.000 0.250 1301 T C 0.955 175.688 174.700 0.055 0.000 1.041 1301 T CA 0.462 62.594 62.100 0.053 0.000 1.010 1301 T CB 0.455 69.350 68.868 0.046 0.000 1.003 1301 T HN 0.366 nan 8.240 nan 0.000 0.499 1302 G N 0.058 108.898 108.800 0.067 0.000 2.915 1302 G HA2 0.369 4.330 3.960 0.002 0.000 0.337 1302 G HA3 0.369 4.330 3.960 0.002 0.000 0.337 1302 G C 0.092 175.038 174.900 0.076 0.000 1.477 1302 G CA -0.546 44.594 45.100 0.068 0.000 0.916 1302 G HN 1.903 nan 8.290 nan 0.000 0.550 1303 G N -1.876 106.974 108.800 0.084 0.000 2.368 1303 G HA2 0.648 4.609 3.960 0.002 0.000 0.302 1303 G HA3 0.648 4.609 3.960 0.002 0.000 0.302 1303 G C -0.440 174.527 174.900 0.112 0.000 1.329 1303 G CA 0.840 45.995 45.100 0.092 0.000 0.935 1303 G HN 2.524 nan 8.290 nan 0.000 0.590 1304 S N -1.074 114.689 115.700 0.105 0.000 2.568 1304 S HA 0.938 5.409 4.470 0.002 0.000 0.293 1304 S C -0.883 173.806 174.600 0.149 0.000 1.089 1304 S CA -0.218 58.015 58.200 0.055 0.000 0.945 1304 S CB 1.606 64.810 63.200 0.007 0.000 1.077 1304 S HN 1.932 nan 8.310 nan 0.000 0.485 1305 Y N 0.181 120.522 120.300 0.070 0.000 2.562 1305 Y HA 0.783 5.334 4.550 0.002 0.000 0.345 1305 Y C -0.946 175.011 175.900 0.094 0.000 1.045 1305 Y CA -0.968 57.181 58.100 0.083 0.000 1.028 1305 Y CB 0.976 39.499 38.460 0.106 0.000 1.297 1305 Y HN 0.819 nan 8.280 nan 0.000 0.463 1306 E N 1.742 122.071 120.200 0.215 0.000 2.317 1306 E HA 0.576 4.927 4.350 0.002 0.000 0.270 1306 E C -1.935 174.769 176.600 0.173 0.000 0.885 1306 E CA -1.104 55.377 56.400 0.134 0.000 0.760 1306 E CB 2.721 32.453 29.700 0.053 0.000 1.227 1306 E HN 0.682 nan 8.360 nan 0.000 0.434 1307 N N 1.274 120.029 118.700 0.092 0.000 2.238 1307 N HA 0.241 4.982 4.740 0.002 0.000 0.302 1307 N C -1.790 173.665 175.510 -0.093 0.000 1.072 1307 N CA -0.401 52.631 53.050 -0.030 0.000 0.792 1307 N CB 2.207 40.503 38.487 -0.319 0.000 1.425 1307 N HN 0.593 nan 8.380 nan 0.000 0.478 1308 Q N 1.977 121.725 119.800 -0.087 0.000 2.379 1308 Q HA 0.796 5.137 4.340 0.002 0.000 0.278 1308 Q C -1.895 174.005 176.000 -0.167 0.000 1.068 1308 Q CA -0.941 54.773 55.803 -0.148 0.000 0.816 1308 Q CB 1.878 30.516 28.738 -0.167 0.000 1.387 1308 Q HN 0.700 nan 8.270 nan 0.000 0.413 1309 A N 2.123 124.768 122.820 -0.291 0.000 2.430 1309 A HA 0.880 5.202 4.320 0.002 0.000 0.300 1309 A C -1.936 175.275 177.584 -0.621 0.000 1.124 1309 A CA -0.432 51.446 52.037 -0.265 0.000 0.766 1309 A CB 1.130 20.092 19.000 -0.064 0.000 1.328 1309 A HN 0.676 nan 8.150 nan 0.000 0.424 1310 Y N -0.434 119.581 120.300 -0.475 0.000 2.562 1310 Y HA 0.538 5.089 4.550 0.002 0.000 0.345 1310 Y C 0.037 175.439 175.900 -0.830 0.000 1.045 1310 Y CA -0.689 57.141 58.100 -0.449 0.000 1.028 1310 Y CB 2.179 40.469 38.460 -0.284 0.000 1.297 1310 Y HN 0.818 nan 8.280 nan 0.000 0.463 1311 Q N 2.763 122.358 119.800 -0.341 0.000 2.377 1311 Q HA 0.794 5.135 4.340 0.002 0.000 0.271 1311 Q C -1.810 174.231 176.000 0.068 0.000 1.077 1311 Q CA -0.830 54.763 55.803 -0.351 0.000 0.820 1311 Q CB 2.490 31.099 28.738 -0.216 0.000 1.347 1311 Q HN 0.786 nan 8.270 nan 0.000 0.444 1312 I N 2.942 123.586 120.570 0.123 0.000 2.476 1312 I HA 0.326 4.497 4.170 0.002 0.000 0.281 1312 I C -1.427 174.885 176.117 0.325 0.000 1.040 1312 I CA -0.806 60.607 61.300 0.188 0.000 1.094 1312 I CB 1.722 39.774 38.000 0.087 0.000 1.219 1312 I HN 0.603 nan 8.210 nan 0.000 0.450 1313 D N 6.917 127.542 120.400 0.374 0.000 2.391 1313 D HA 0.390 5.031 4.640 0.002 0.000 0.245 1313 D C 0.211 176.542 176.300 0.053 0.000 1.069 1313 D CA -0.327 53.798 54.000 0.208 0.000 0.831 1313 D CB 1.592 42.679 40.800 0.478 0.000 1.204 1313 D HN 0.410 nan 8.370 nan 0.000 0.503 1314 F N 1.386 121.215 119.950 -0.202 0.000 3.084 1314 F HA -0.225 4.303 4.527 0.002 0.000 0.286 1314 F C 1.535 177.289 175.800 -0.078 0.000 0.855 1314 F CA 0.776 58.663 58.000 -0.187 0.000 1.091 1314 F CB -2.054 36.908 39.000 -0.063 0.000 1.177 1314 F HN 0.731 nan 8.300 nan 0.000 0.542 1315 G N -1.169 107.658 108.800 0.046 0.000 2.176 1315 G HA2 -0.317 3.645 3.960 0.002 0.000 0.253 1315 G HA3 -0.317 3.645 3.960 0.002 0.000 0.253 1315 G C 0.104 175.008 174.900 0.006 0.000 0.979 1315 G CA 0.052 45.165 45.100 0.021 0.000 0.641 1315 G HN 0.514 nan 8.290 nan 0.000 0.530 1316 N N 1.144 119.883 118.700 0.066 0.000 2.455 1316 N HA 0.526 5.267 4.740 0.002 0.000 0.280 1316 N C 0.451 175.817 175.510 -0.241 0.000 1.055 1316 N CA 0.611 53.620 53.050 -0.068 0.000 0.961 1316 N CB 1.559 40.065 38.487 0.032 0.000 1.121 1316 N HN 0.451 nan 8.380 nan 0.000 0.476 1317 G N 1.173 109.732 108.800 -0.402 0.000 2.348 1317 G HA2 0.528 4.490 3.960 0.002 0.000 0.312 1317 G HA3 0.528 4.490 3.960 0.002 0.000 0.312 1317 G C -1.324 173.215 174.900 -0.600 0.000 1.126 1317 G CA -0.243 44.640 45.100 -0.362 0.000 0.865 1317 G HN 0.421 nan 8.290 nan 0.000 0.474 1318 Y N 0.420 120.775 120.300 0.092 0.000 2.373 1318 Y HA 0.585 5.136 4.550 0.002 0.000 0.336 1318 Y C 0.435 176.363 175.900 0.047 0.000 0.979 1318 Y CA -0.925 57.221 58.100 0.076 0.000 1.080 1318 Y CB 2.237 40.737 38.460 0.068 0.000 1.190 1318 Y HN 0.772 nan 8.280 nan 0.000 0.446 1319 A N 2.023 124.931 122.820 0.147 0.000 2.309 1319 A HA 0.636 4.957 4.320 0.002 0.000 0.298 1319 A C 0.270 177.773 177.584 -0.136 0.000 1.165 1319 A CA -0.438 51.525 52.037 -0.124 0.000 0.821 1319 A CB 0.286 19.236 19.000 -0.082 0.000 1.102 1319 A HN 0.780 nan 8.150 nan 0.000 0.500 1320 S N 2.765 118.297 115.700 -0.280 0.000 2.645 1320 S HA 0.285 4.757 4.470 0.002 0.000 0.266 1320 S C 0.371 174.897 174.600 -0.123 0.000 1.258 1320 S CA -0.595 57.523 58.200 -0.138 0.000 0.990 1320 S CB 0.310 63.437 63.200 -0.121 0.000 0.967 1320 S HN 0.917 nan 8.310 nan 0.000 0.556 1321 N N 0.333 119.003 118.700 -0.050 0.000 2.340 1321 N HA 0.081 4.822 4.740 0.002 0.000 0.236 1321 N C -0.642 174.832 175.510 -0.060 0.000 1.296 1321 N CA -0.100 52.928 53.050 -0.037 0.000 0.896 1321 N CB -0.031 38.453 38.487 -0.004 0.000 1.127 1321 N HN 0.703 nan 8.380 nan 0.000 0.442 1322 I N 0.475 121.019 120.570 -0.044 0.000 2.354 1322 I HA 0.181 4.352 4.170 0.002 0.000 0.292 1322 I C -0.424 175.685 176.117 -0.013 0.000 0.989 1322 I CA -1.070 60.205 61.300 -0.043 0.000 1.188 1322 I CB 1.820 39.800 38.000 -0.034 0.000 1.342 1322 I HN 0.203 nan 8.210 nan 0.000 0.457 1323 V N 7.599 127.512 119.914 -0.002 0.000 2.398 1323 V HA 0.460 4.581 4.120 0.002 0.000 0.286 1323 V C 0.036 176.152 176.094 0.037 0.000 1.026 1323 V CA -0.443 61.881 62.300 0.040 0.000 0.868 1323 V CB 1.526 33.416 31.823 0.111 0.000 0.982 1323 V HN 0.461 nan 8.190 nan 0.000 0.443 1324 I N 4.857 125.424 120.570 -0.006 0.000 2.493 1324 I HA 0.536 4.707 4.170 0.002 0.000 0.298 1324 I C -0.170 175.852 176.117 -0.158 0.000 0.998 1324 I CA -0.279 60.973 61.300 -0.080 0.000 1.137 1324 I CB 1.967 39.932 38.000 -0.058 0.000 1.310 1324 I HN 0.638 nan 8.210 nan 0.000 0.445 1325 N N 2.992 121.456 118.700 -0.394 0.000 2.697 1325 N HA 0.548 5.290 4.740 0.002 0.000 0.272 1325 N C -1.575 173.672 175.510 -0.439 0.000 1.381 1325 N CA -0.987 51.815 53.050 -0.415 0.000 0.797 1325 N CB 1.719 39.902 38.487 -0.506 0.000 1.523 1325 N HN 0.722 nan 8.380 nan 0.000 0.518 1326 N N -1.607 116.971 118.700 -0.204 0.000 2.357 1326 N HA 0.655 5.397 4.740 0.002 0.000 0.284 1326 N C -2.015 173.529 175.510 0.057 0.000 1.236 1326 N CA -0.756 52.256 53.050 -0.063 0.000 0.774 1326 N CB 1.653 40.125 38.487 -0.025 0.000 1.534 1326 N HN 0.156 nan 8.380 nan 0.000 0.478 1327 V N 0.872 120.858 119.914 0.119 0.000 2.495 1327 V HA 0.633 4.755 4.120 0.002 0.000 0.298 1327 V C -2.219 173.926 176.094 0.085 0.000 1.031 1327 V CA -1.497 60.887 62.300 0.140 0.000 0.871 1327 V CB 1.581 33.522 31.823 0.196 0.000 0.988 1327 V HN 0.776 nan 8.190 nan 0.000 0.432 1328 P HA 0.236 nan 4.420 nan 0.000 0.285 1328 P C -0.843 176.465 177.300 0.013 0.000 1.259 1328 P CA -0.660 62.455 63.100 0.025 0.000 0.794 1328 P CB 0.980 32.679 31.700 -0.002 0.000 0.940 1329 K N 4.104 124.510 120.400 0.010 0.000 2.378 1329 K HA 0.185 4.506 4.320 0.002 0.000 0.288 1329 K C -0.279 176.279 176.600 -0.069 0.000 1.057 1329 K CA -0.395 55.895 56.287 0.005 0.000 0.971 1329 K CB 0.038 32.549 32.500 0.018 0.000 0.975 1329 K HN 0.362 nan 8.250 nan 0.000 0.475 1330 I N 4.285 124.753 120.570 -0.170 0.000 2.304 1330 I HA 0.077 4.248 4.170 0.002 0.000 0.291 1330 I C -0.223 175.741 176.117 -0.254 0.000 1.018 1330 I CA -0.463 60.599 61.300 -0.395 0.000 1.260 1330 I CB 0.577 37.900 38.000 -1.129 0.000 1.390 1330 I HN 0.616 nan 8.210 nan 0.000 0.475 1331 N N 9.137 127.752 118.700 -0.141 0.000 2.804 1331 N HA 0.384 5.125 4.740 0.002 0.000 0.251 1331 N C -2.644 172.847 175.510 -0.032 0.000 1.250 1331 N CA -1.416 51.600 53.050 -0.056 0.000 0.820 1331 N CB 1.201 39.680 38.487 -0.013 0.000 1.156 1331 N HN 0.237 nan 8.380 nan 0.000 0.512 1332 P HA 0.181 nan 4.420 nan 0.000 0.271 1332 P C -0.928 176.421 177.300 0.082 0.000 1.218 1332 P CA 0.046 63.158 63.100 0.021 0.000 0.780 1332 P CB 1.229 32.845 31.700 -0.140 0.000 0.901 1333 K N 1.302 121.823 120.400 0.201 0.000 2.385 1333 K HA 0.529 4.850 4.320 0.002 0.000 0.248 1333 K C -0.431 176.326 176.600 0.262 0.000 0.955 1333 K CA -0.887 55.507 56.287 0.177 0.000 0.816 1333 K CB 2.453 35.023 32.500 0.117 0.000 1.250 1333 K HN 0.315 nan 8.250 nan 0.000 0.434 1334 K N 2.324 122.838 120.400 0.190 0.000 2.545 1334 K HA 0.245 4.566 4.320 0.002 0.000 0.252 1334 K C -1.500 175.169 176.600 0.116 0.000 0.948 1334 K CA -0.515 55.870 56.287 0.164 0.000 0.827 1334 K CB 1.048 33.662 32.500 0.190 0.000 1.128 1334 K HN 0.458 nan 8.250 nan 0.000 0.429 1335 D N 1.789 122.252 120.400 0.105 0.000 2.392 1335 D HA 0.388 5.030 4.640 0.002 0.000 0.246 1335 D C -0.791 175.640 176.300 0.218 0.000 1.013 1335 D CA -0.507 53.569 54.000 0.127 0.000 0.993 1335 D CB 2.085 42.938 40.800 0.089 0.000 1.219 1335 D HN 0.188 nan 8.370 nan 0.000 0.538 1336 V N 0.573 120.624 119.914 0.229 0.000 2.448 1336 V HA 0.612 4.733 4.120 0.002 0.000 0.295 1336 V C 0.269 176.485 176.094 0.202 0.000 1.025 1336 V CA -0.600 61.877 62.300 0.295 0.000 0.859 1336 V CB 1.343 33.333 31.823 0.280 0.000 0.988 1336 V HN 0.786 nan 8.190 nan 0.000 0.431 1337 T N 1.858 116.552 114.554 0.234 0.000 2.901 1337 T HA 0.702 5.054 4.350 0.002 0.000 0.293 1337 T C 0.221 175.029 174.700 0.180 0.000 1.084 1337 T CA -0.712 61.501 62.100 0.189 0.000 1.008 1337 T CB 1.882 70.890 68.868 0.233 0.000 1.170 1337 T HN 0.257 nan 8.240 nan 0.000 0.509 1338 L N 0.442 121.732 121.223 0.113 0.000 2.638 1338 L HA 0.346 4.687 4.340 0.002 0.000 0.232 1338 L C 1.229 178.128 176.870 0.048 0.000 1.099 1338 L CA -0.048 54.844 54.840 0.087 0.000 0.883 1338 L CB 0.550 42.636 42.059 0.046 0.000 1.136 1338 L HN 0.947 nan 8.230 nan 0.000 0.492 1339 T N -1.272 113.299 114.554 0.028 0.000 2.896 1339 T HA 0.529 4.880 4.350 0.002 0.000 0.297 1339 T C -0.347 174.282 174.700 -0.118 0.000 1.108 1339 T CA -0.497 61.580 62.100 -0.039 0.000 1.004 1339 T CB 1.715 70.554 68.868 -0.048 0.000 1.159 1339 T HN -0.101 nan 8.240 nan 0.000 0.499 1340 L N 1.719 122.793 121.223 -0.249 0.000 2.777 1340 L HA 0.538 4.880 4.340 0.002 0.000 0.195 1340 L C -0.243 176.319 176.870 -0.513 0.000 1.190 1340 L CA 0.583 55.075 54.840 -0.581 0.000 0.933 1340 L CB 0.128 41.915 42.059 -0.453 0.000 1.758 1340 L HN 1.137 nan 8.230 nan 0.000 0.515 1341 D N -1.937 118.067 120.400 -0.660 0.000 4.303 1341 D HA -0.096 4.545 4.640 0.002 0.000 0.230 1341 D C -2.214 173.881 176.300 -0.341 0.000 1.172 1341 D CA -0.265 53.464 54.000 -0.451 0.000 1.001 1341 D CB -0.312 40.340 40.800 -0.246 0.000 0.641 1341 D HN 0.093 nan 8.370 nan 0.000 0.296 1342 P HA 0.029 nan 4.420 nan 0.000 0.222 1342 P C 1.325 178.579 177.300 -0.077 0.000 1.147 1342 P CA 1.609 64.605 63.100 -0.174 0.000 0.790 1342 P CB 0.113 31.636 31.700 -0.295 0.000 0.780 1343 A N -0.657 122.104 122.820 -0.098 0.000 2.066 1343 A HA -0.094 4.227 4.320 0.002 0.000 0.218 1343 A C 1.217 178.787 177.584 -0.024 0.000 1.157 1343 A CA 0.667 52.673 52.037 -0.051 0.000 0.670 1343 A CB -0.960 18.006 19.000 -0.056 0.000 0.804 1343 A HN 0.086 nan 8.150 nan 0.000 0.453 1344 D N 0.508 120.894 120.400 -0.024 0.000 2.339 1344 D HA 0.198 4.839 4.640 0.002 0.000 0.256 1344 D C 1.064 177.380 176.300 0.026 0.000 1.214 1344 D CA 0.826 54.824 54.000 -0.003 0.000 0.877 1344 D CB 1.000 41.793 40.800 -0.012 0.000 1.111 1344 D HN 0.237 nan 8.370 nan 0.000 0.478 1345 T N 0.632 115.201 114.554 0.026 0.000 3.105 1345 T HA 0.071 4.423 4.350 0.002 0.000 0.253 1345 T C 0.853 175.579 174.700 0.043 0.000 1.047 1345 T CA -0.717 61.406 62.100 0.037 0.000 0.944 1345 T CB -0.254 68.630 68.868 0.027 0.000 1.016 1345 T HN 0.203 nan 8.240 nan 0.000 0.544 1346 N N 3.439 122.164 118.700 0.042 0.000 2.357 1346 N HA 0.073 4.814 4.740 0.002 0.000 0.257 1346 N C -0.763 174.784 175.510 0.061 0.000 1.250 1346 N CA 0.334 53.410 53.050 0.044 0.000 0.862 1346 N CB 0.151 38.660 38.487 0.037 0.000 1.066 1346 N HN 0.353 nan 8.380 nan 0.000 0.468 1347 N N 2.842 121.576 118.700 0.056 0.000 2.480 1347 N HA 0.250 4.991 4.740 0.002 0.000 0.289 1347 N C -0.917 174.627 175.510 0.058 0.000 1.073 1347 N CA -0.571 52.520 53.050 0.068 0.000 0.885 1347 N CB 1.329 39.855 38.487 0.064 0.000 1.421 1347 N HN 0.199 nan 8.380 nan 0.000 0.503 1348 V N 1.450 121.402 119.914 0.063 0.000 3.342 1348 V HA 0.116 4.237 4.120 0.002 0.000 0.322 1348 V C 0.360 176.481 176.094 0.046 0.000 1.370 1348 V CA -0.342 61.981 62.300 0.038 0.000 1.170 1348 V CB -0.851 30.978 31.823 0.010 0.000 1.101 1348 V HN 0.631 nan 8.190 nan 0.000 0.442 1349 D N 1.472 121.916 120.400 0.073 0.000 2.586 1349 D HA 0.242 4.883 4.640 0.002 0.000 0.234 1349 D C 1.390 177.721 176.300 0.052 0.000 1.132 1349 D CA 1.937 55.986 54.000 0.080 0.000 0.860 1349 D CB 0.807 41.657 40.800 0.083 0.000 1.159 1349 D HN 0.380 nan 8.370 nan 0.000 0.490 1350 G N 3.573 112.401 108.800 0.048 0.000 2.358 1350 G HA2 -0.289 3.672 3.960 0.002 0.000 0.224 1350 G HA3 -0.289 3.672 3.960 0.002 0.000 0.224 1350 G C 0.640 175.550 174.900 0.017 0.000 1.073 1350 G CA 0.430 45.549 45.100 0.031 0.000 0.635 1350 G HN 0.599 nan 8.290 nan 0.000 0.509 1351 Q N 0.578 120.384 119.800 0.010 0.000 2.700 1351 Q HA 0.492 4.833 4.340 0.002 0.000 0.191 1351 Q C 0.836 176.827 176.000 -0.015 0.000 1.134 1351 Q CA 0.677 56.478 55.803 -0.003 0.000 1.193 1351 Q CB 0.170 28.903 28.738 -0.008 0.000 1.250 1351 Q HN 0.582 nan 8.270 nan 0.000 0.670 1352 T N -1.639 112.900 114.554 -0.024 0.000 2.895 1352 T HA 0.623 4.974 4.350 0.002 0.000 0.283 1352 T C -0.687 173.972 174.700 -0.068 0.000 1.014 1352 T CA -0.743 61.337 62.100 -0.034 0.000 1.037 1352 T CB 0.571 69.429 68.868 -0.016 0.000 1.006 1352 T HN 0.304 nan 8.240 nan 0.000 0.468 1353 I N 4.269 124.782 120.570 -0.096 0.000 2.406 1353 I HA 0.420 4.592 4.170 0.002 0.000 0.290 1353 I C -2.302 173.773 176.117 -0.070 0.000 0.999 1353 I CA -2.513 58.700 61.300 -0.145 0.000 1.124 1353 I CB 2.116 39.908 38.000 -0.346 0.000 1.289 1353 I HN 0.512 nan 8.210 nan 0.000 0.441 1354 P HA 0.057 nan 4.420 nan 0.000 0.268 1354 P C -0.453 176.848 177.300 0.002 0.000 1.204 1354 P CA -0.412 62.681 63.100 -0.012 0.000 0.768 1354 P CB 0.427 32.122 31.700 -0.008 0.000 0.842 1355 L N 4.147 125.382 121.223 0.020 0.000 2.559 1355 L HA -0.047 4.294 4.340 0.002 0.000 0.282 1355 L C 0.870 177.757 176.870 0.029 0.000 1.232 1355 L CA 1.074 55.934 54.840 0.033 0.000 0.885 1355 L CB -0.815 41.267 42.059 0.038 0.000 1.131 1355 L HN 0.472 nan 8.230 nan 0.000 0.498 1356 N N 1.164 119.887 118.700 0.039 0.000 2.909 1356 N HA -0.179 4.562 4.740 0.002 0.000 0.242 1356 N C -0.200 175.340 175.510 0.050 0.000 0.975 1356 N CA 1.251 54.323 53.050 0.036 0.000 0.921 1356 N CB -1.706 36.791 38.487 0.017 0.000 1.112 1356 N HN 0.781 nan 8.380 nan 0.000 0.581 1357 T N 1.187 115.781 114.554 0.066 0.000 2.870 1357 T HA 0.292 4.643 4.350 0.002 0.000 0.300 1357 T C 0.817 175.625 174.700 0.180 0.000 0.989 1357 T CA -0.199 61.953 62.100 0.087 0.000 1.139 1357 T CB 1.783 70.681 68.868 0.051 0.000 0.920 1357 T HN -0.069 nan 8.240 nan 0.000 0.537 1358 V N 6.000 125.986 119.914 0.120 0.000 2.461 1358 V HA 0.542 4.663 4.120 0.002 0.000 0.275 1358 V C -0.087 176.102 176.094 0.159 0.000 1.047 1358 V CA -0.194 62.156 62.300 0.083 0.000 0.955 1358 V CB -0.441 31.379 31.823 -0.005 0.000 0.988 1358 V HN 0.822 nan 8.190 nan 0.000 0.471 1359 F N 3.338 123.228 119.950 -0.099 0.000 2.894 1359 F HA 0.710 5.238 4.527 0.002 0.000 0.332 1359 F C -0.557 175.167 175.800 -0.126 0.000 1.192 1359 F CA -1.291 56.646 58.000 -0.105 0.000 0.980 1359 F CB 1.725 40.652 39.000 -0.122 0.000 1.448 1359 F HN 0.291 nan 8.300 nan 0.000 0.514 1360 N N -0.250 118.411 118.700 -0.064 0.000 2.238 1360 N HA 0.262 5.004 4.740 0.002 0.000 0.302 1360 N C -2.126 173.356 175.510 -0.045 0.000 1.072 1360 N CA -0.513 52.467 53.050 -0.116 0.000 0.792 1360 N CB 2.113 40.711 38.487 0.184 0.000 1.425 1360 N HN 0.472 nan 8.380 nan 0.000 0.478 1361 Y N 0.805 121.095 120.300 -0.016 0.000 2.336 1361 Y HA 0.220 4.772 4.550 0.002 0.000 0.335 1361 Y C 0.957 176.807 175.900 -0.083 0.000 1.046 1361 Y CA -0.396 57.713 58.100 0.015 0.000 1.198 1361 Y CB 0.689 39.127 38.460 -0.036 0.000 1.182 1361 Y HN 0.218 nan 8.280 nan 0.000 0.502 1362 R N 5.092 125.625 120.500 0.056 0.000 2.204 1362 R HA 0.422 4.763 4.340 0.002 0.000 0.341 1362 R C -1.511 174.654 176.300 -0.226 0.000 1.035 1362 R CA -0.390 55.538 56.100 -0.287 0.000 0.887 1362 R CB 0.014 30.133 30.300 -0.301 0.000 1.114 1362 R HN 0.715 nan 8.270 nan 0.000 0.473 1363 L N 7.243 128.249 121.223 -0.362 0.000 2.272 1363 L HA 0.401 4.742 4.340 0.002 0.000 0.284 1363 L C -0.106 176.691 176.870 -0.122 0.000 1.045 1363 L CA -0.472 54.085 54.840 -0.471 0.000 0.842 1363 L CB 1.046 42.527 42.059 -0.964 0.000 1.224 1363 L HN 0.529 nan 8.230 nan 0.000 0.430 1364 I N 2.934 123.578 120.570 0.124 0.000 2.301 1364 I HA 0.242 4.414 4.170 0.002 0.000 0.292 1364 I C 1.243 177.611 176.117 0.418 0.000 1.046 1364 I CA -0.145 61.300 61.300 0.243 0.000 1.282 1364 I CB 1.197 39.285 38.000 0.146 0.000 1.409 1364 I HN 0.598 nan 8.210 nan 0.000 0.484 1365 G N 4.321 113.443 108.800 0.537 0.000 2.636 1365 G HA2 0.352 4.313 3.960 0.002 0.000 0.246 1365 G HA3 0.352 4.313 3.960 0.002 0.000 0.246 1365 G C 0.444 175.482 174.900 0.230 0.000 1.216 1365 G CA -0.345 44.996 45.100 0.401 0.000 0.854 1365 G HN 0.733 nan 8.290 nan 0.000 0.572 1366 G N -1.187 107.634 108.800 0.034 0.000 2.594 1366 G HA2 0.400 4.361 3.960 0.002 0.000 0.243 1366 G HA3 0.400 4.361 3.960 0.002 0.000 0.243 1366 G C -0.048 174.911 174.900 0.098 0.000 1.229 1366 G CA -0.672 44.409 45.100 -0.033 0.000 0.843 1366 G HN 0.601 nan 8.290 nan 0.000 0.578 1367 I N 0.930 121.519 120.570 0.031 0.000 2.352 1367 I HA 0.180 4.351 4.170 0.002 0.000 0.290 1367 I C -0.002 176.128 176.117 0.021 0.000 1.036 1367 I CA -0.072 61.257 61.300 0.047 0.000 1.336 1367 I CB 1.065 39.079 38.000 0.024 0.000 1.407 1367 I HN 0.180 nan 8.210 nan 0.000 0.497 1368 I N 9.372 129.973 120.570 0.052 0.000 2.297 1368 I HA 0.283 4.454 4.170 0.002 0.000 0.291 1368 I C -2.192 173.924 176.117 -0.001 0.000 1.033 1368 I CA -1.827 59.455 61.300 -0.030 0.000 1.253 1368 I CB 0.882 38.824 38.000 -0.097 0.000 1.396 1368 I HN 0.277 nan 8.210 nan 0.000 0.476 1369 P HA 0.222 nan 4.420 nan 0.000 0.276 1369 P C -0.322 177.092 177.300 0.189 0.000 1.244 1369 P CA -0.420 62.728 63.100 0.081 0.000 0.801 1369 P CB 0.705 32.441 31.700 0.060 0.000 1.006 1370 A N 1.791 124.697 122.820 0.143 0.000 2.455 1370 A HA 0.135 4.457 4.320 0.002 0.000 0.244 1370 A C 0.864 178.509 177.584 0.102 0.000 1.099 1370 A CA 0.508 52.624 52.037 0.131 0.000 0.786 1370 A CB -1.213 17.823 19.000 0.060 0.000 1.051 1370 A HN 0.728 nan 8.150 nan 0.000 0.508 1371 N N -0.761 117.939 118.700 0.001 0.000 2.740 1371 N HA -0.171 4.570 4.740 0.002 0.000 0.248 1371 N C 0.078 175.584 175.510 -0.007 0.000 1.062 1371 N CA 1.392 54.420 53.050 -0.037 0.000 0.704 1371 N CB -1.615 36.870 38.487 -0.003 0.000 0.968 1371 N HN 0.981 nan 8.380 nan 0.000 0.547 1372 H N -2.466 116.605 119.070 0.002 0.000 2.500 1372 H HA 0.547 5.105 4.556 0.002 0.000 0.351 1372 H C 1.139 176.471 175.328 0.006 0.000 1.281 1372 H CA -0.012 56.040 56.048 0.006 0.000 1.368 1372 H CB 0.807 30.571 29.762 0.003 0.000 1.616 1372 H HN 0.185 nan 8.280 nan 0.000 0.591 1373 S N -0.861 114.926 115.700 0.145 0.000 2.517 1373 S HA 0.171 4.643 4.470 0.002 0.000 0.214 1373 S C 0.105 174.755 174.600 0.082 0.000 0.991 1373 S CA -0.259 57.984 58.200 0.071 0.000 0.906 1373 S CB 0.135 63.387 63.200 0.087 0.000 0.789 1373 S HN 0.714 nan 8.310 nan 0.000 0.513 1374 E N 0.037 120.322 120.200 0.142 0.000 2.437 1374 E HA 0.310 4.661 4.350 0.002 0.000 0.280 1374 E C -1.549 175.158 176.600 0.177 0.000 1.044 1374 E CA -0.857 55.624 56.400 0.135 0.000 0.826 1374 E CB 1.224 31.014 29.700 0.149 0.000 1.358 1374 E HN 0.249 nan 8.360 nan 0.000 0.459 1375 E N 1.032 121.306 120.200 0.123 0.000 2.373 1375 E HA 0.164 4.515 4.350 0.002 0.000 0.267 1375 E C -0.465 176.179 176.600 0.072 0.000 1.032 1375 E CA -0.080 56.374 56.400 0.089 0.000 0.889 1375 E CB 0.729 30.469 29.700 0.068 0.000 0.984 1375 E HN 0.205 nan 8.360 nan 0.000 0.425 1376 L N 4.062 125.246 121.223 -0.064 0.000 2.360 1376 L HA 0.089 4.431 4.340 0.002 0.000 0.276 1376 L C 0.573 177.386 176.870 -0.095 0.000 1.121 1376 L CA 0.048 54.752 54.840 -0.226 0.000 0.845 1376 L CB 0.009 41.798 42.059 -0.449 0.000 1.143 1376 L HN 0.685 nan 8.230 nan 0.000 0.452 1377 F N -0.115 119.791 119.950 -0.072 0.000 2.784 1377 F HA 0.432 4.960 4.527 0.002 0.000 0.323 1377 F C 0.378 176.189 175.800 0.017 0.000 1.085 1377 F CA -0.583 57.399 58.000 -0.031 0.000 1.196 1377 F CB 0.372 39.367 39.000 -0.009 0.000 1.053 1377 F HN 0.390 nan 8.300 nan 0.000 0.578 1378 E N 0.033 120.054 120.200 -0.299 0.000 2.321 1378 E HA 0.353 4.705 4.350 0.002 0.000 0.278 1378 E C -2.204 174.379 176.600 -0.029 0.000 0.902 1378 E CA -0.796 55.567 56.400 -0.062 0.000 0.758 1378 E CB 2.373 32.054 29.700 -0.032 0.000 1.213 1378 E HN 0.234 nan 8.360 nan 0.000 0.426 1379 Y N 4.119 124.414 120.300 -0.009 0.000 2.347 1379 Y HA 0.352 4.903 4.550 0.002 0.000 0.339 1379 Y C -1.684 174.278 175.900 0.102 0.000 1.152 1379 Y CA -0.702 57.396 58.100 -0.003 0.000 1.321 1379 Y CB 0.669 39.115 38.460 -0.023 0.000 1.137 1379 Y HN 0.476 nan 8.280 nan 0.000 0.486 1380 N N 4.195 122.861 118.700 -0.056 0.000 2.335 1380 N HA 0.515 5.256 4.740 0.002 0.000 0.304 1380 N C -1.663 173.762 175.510 -0.143 0.000 1.135 1380 N CA -0.537 52.536 53.050 0.039 0.000 0.817 1380 N CB 1.499 40.050 38.487 0.106 0.000 1.294 1380 N HN 0.393 nan 8.380 nan 0.000 0.497 1381 F N 1.221 121.297 119.950 0.209 0.000 2.434 1381 F HA 0.268 4.796 4.527 0.002 0.000 0.355 1381 F C -0.454 175.486 175.800 0.233 0.000 1.115 1381 F CA -1.009 57.153 58.000 0.271 0.000 1.010 1381 F CB 0.817 39.827 39.000 0.016 0.000 1.234 1381 F HN 0.361 nan 8.300 nan 0.000 0.439 1382 Y N 3.658 124.160 120.300 0.338 0.000 2.328 1382 Y HA 0.466 5.018 4.550 0.002 0.000 0.337 1382 Y C -0.954 175.076 175.900 0.217 0.000 1.008 1382 Y CA -0.862 57.348 58.100 0.184 0.000 1.129 1382 Y CB 0.946 39.462 38.460 0.092 0.000 1.185 1382 Y HN 0.498 nan 8.280 nan 0.000 0.476 1383 D N 5.433 125.495 120.400 -0.563 0.000 2.476 1383 D HA 0.087 4.728 4.640 0.002 0.000 0.251 1383 D C -1.738 174.255 176.300 -0.511 0.000 1.291 1383 D CA -0.354 53.412 54.000 -0.389 0.000 0.939 1383 D CB 0.994 41.731 40.800 -0.105 0.000 1.221 1383 D HN 0.661 nan 8.370 nan 0.000 0.567 1384 D N 3.938 124.005 120.400 -0.555 0.000 2.441 1384 D HA 0.086 4.727 4.640 0.002 0.000 0.221 1384 D C -0.345 175.837 176.300 -0.196 0.000 1.156 1384 D CA -0.253 53.525 54.000 -0.371 0.000 0.896 1384 D CB -0.139 40.546 40.800 -0.192 0.000 1.028 1384 D HN 0.357 nan 8.370 nan 0.000 0.509 1385 Y N 0.279 120.517 120.300 -0.103 0.000 2.392 1385 Y HA 0.438 4.989 4.550 0.002 0.000 0.323 1385 Y C 0.403 176.324 175.900 0.035 0.000 1.291 1385 Y CA -1.386 56.702 58.100 -0.021 0.000 1.345 1385 Y CB 0.428 38.910 38.460 0.037 0.000 1.320 1385 Y HN 0.012 nan 8.280 nan 0.000 0.518 1386 D N 2.122 122.661 120.400 0.233 0.000 2.422 1386 D HA -0.013 4.628 4.640 0.002 0.000 0.227 1386 D C 0.780 177.195 176.300 0.192 0.000 1.190 1386 D CA -0.310 53.794 54.000 0.173 0.000 0.905 1386 D CB 0.695 41.662 40.800 0.277 0.000 1.034 1386 D HN 0.751 nan 8.370 nan 0.000 0.507 1387 Q N 2.150 122.012 119.800 0.103 0.000 2.488 1387 Q HA -0.114 4.227 4.340 0.002 0.000 0.211 1387 Q C 1.004 177.063 176.000 0.098 0.000 0.967 1387 Q CA 0.925 56.830 55.803 0.170 0.000 0.926 1387 Q CB -0.702 28.109 28.738 0.121 0.000 0.992 1387 Q HN 0.438 nan 8.270 nan 0.000 0.506 1388 T N -3.777 110.828 114.554 0.085 0.000 3.085 1388 T HA 0.155 4.507 4.350 0.002 0.000 0.263 1388 T C 1.560 176.215 174.700 -0.074 0.000 1.127 1388 T CA 0.868 63.023 62.100 0.092 0.000 1.103 1388 T CB 0.137 69.124 68.868 0.198 0.000 0.921 1388 T HN 0.369 nan 8.240 nan 0.000 0.510 1389 G N 0.162 108.702 108.800 -0.433 0.000 2.780 1389 G HA2 0.263 4.225 3.960 0.002 0.000 0.198 1389 G HA3 0.263 4.225 3.960 0.002 0.000 0.198 1389 G C -0.324 174.242 174.900 -0.558 0.000 1.067 1389 G CA -0.263 43.988 45.100 -1.415 0.000 0.765 1389 G HN 0.421 nan 8.290 nan 0.000 0.581 1390 D N 0.093 120.401 120.400 -0.153 0.000 2.391 1390 D HA 0.382 5.023 4.640 0.002 0.000 0.245 1390 D C -1.345 175.037 176.300 0.136 0.000 1.069 1390 D CA -0.427 53.600 54.000 0.046 0.000 0.831 1390 D CB 1.935 42.834 40.800 0.166 0.000 1.204 1390 D HN 0.245 nan 8.370 nan 0.000 0.503 1391 H N 1.743 120.795 119.070 -0.031 0.000 2.556 1391 H HA 0.201 4.758 4.556 0.002 0.000 0.310 1391 H C -1.108 174.149 175.328 -0.118 0.000 1.057 1391 H CA -0.672 55.371 56.048 -0.009 0.000 1.264 1391 H CB 0.322 30.071 29.762 -0.022 0.000 1.404 1391 H HN 0.286 nan 8.280 nan 0.000 0.462 1392 Y N 4.510 124.389 120.300 -0.703 0.000 2.465 1392 Y HA 0.083 4.635 4.550 0.002 0.000 0.331 1392 Y C 1.289 176.763 175.900 -0.711 0.000 1.102 1392 Y CA 0.502 58.185 58.100 -0.695 0.000 1.358 1392 Y CB 0.815 38.932 38.460 -0.572 0.000 1.213 1392 Y HN 0.828 nan 8.280 nan 0.000 0.525 1393 T N 1.569 115.555 114.554 -0.947 0.000 3.129 1393 T HA 0.230 4.581 4.350 0.002 0.000 0.251 1393 T C 1.365 175.572 174.700 -0.821 0.000 1.117 1393 T CA 0.485 62.167 62.100 -0.697 0.000 1.034 1393 T CB -0.636 68.014 68.868 -0.364 0.000 0.968 1393 T HN 1.429 nan 8.240 nan 0.000 0.526 1394 G N 0.717 108.514 108.800 -1.671 0.000 2.176 1394 G HA2 -0.189 3.772 3.960 0.002 0.000 0.253 1394 G HA3 -0.189 3.772 3.960 0.002 0.000 0.253 1394 G C -0.177 174.475 174.900 -0.413 0.000 0.979 1394 G CA -0.082 44.446 45.100 -0.953 0.000 0.641 1394 G HN 0.644 nan 8.290 nan 0.000 0.530 1395 Q N -0.411 119.145 119.800 -0.407 0.000 2.316 1395 Q HA 0.667 5.008 4.340 0.002 0.000 0.264 1395 Q C -0.486 175.605 176.000 0.153 0.000 0.987 1395 Q CA -0.666 55.079 55.803 -0.098 0.000 0.852 1395 Q CB 1.851 30.500 28.738 -0.149 0.000 1.287 1395 Q HN 0.892 nan 8.270 nan 0.000 0.448 1396 Y N -1.125 119.188 120.300 0.023 0.000 2.571 1396 Y HA 0.719 5.270 4.550 0.002 0.000 0.341 1396 Y C -1.392 174.465 175.900 -0.073 0.000 1.076 1396 Y CA -0.996 57.109 58.100 0.010 0.000 1.029 1396 Y CB 1.743 40.207 38.460 0.005 0.000 1.308 1396 Y HN 0.351 nan 8.280 nan 0.000 0.461 1397 K N 2.271 122.655 120.400 -0.027 0.000 2.482 1397 K HA 0.801 5.122 4.320 0.002 0.000 0.257 1397 K C -1.833 174.668 176.600 -0.165 0.000 0.969 1397 K CA -1.258 54.872 56.287 -0.262 0.000 0.842 1397 K CB 3.211 35.540 32.500 -0.285 0.000 1.359 1397 K HN 0.552 nan 8.250 nan 0.000 0.441 1398 V N 2.248 121.905 119.914 -0.428 0.000 2.709 1398 V HA 0.551 4.673 4.120 0.002 0.000 0.308 1398 V C -1.321 174.500 176.094 -0.455 0.000 1.062 1398 V CA -0.831 61.303 62.300 -0.277 0.000 0.901 1398 V CB 1.288 32.993 31.823 -0.196 0.000 1.003 1398 V HN 0.570 nan 8.190 nan 0.000 0.425 1399 F N 1.642 121.668 119.950 0.127 0.000 2.551 1399 F HA 0.774 5.302 4.527 0.002 0.000 0.316 1399 F C 0.594 176.468 175.800 0.123 0.000 1.089 1399 F CA -0.822 57.254 58.000 0.127 0.000 0.915 1399 F CB 1.781 40.864 39.000 0.138 0.000 1.186 1399 F HN 0.587 nan 8.300 nan 0.000 0.456 1400 A N 2.333 125.310 122.820 0.261 0.000 2.511 1400 A HA 0.234 4.556 4.320 0.002 0.000 0.242 1400 A C 0.907 178.548 177.584 0.094 0.000 1.069 1400 A CA -0.079 52.017 52.037 0.097 0.000 0.763 1400 A CB 0.335 19.378 19.000 0.073 0.000 1.001 1400 A HN 0.976 nan 8.150 nan 0.000 0.498 1401 K N 1.014 121.416 120.400 0.003 0.000 2.380 1401 K HA 0.299 4.621 4.320 0.002 0.000 0.198 1401 K C -0.012 176.584 176.600 -0.007 0.000 1.070 1401 K CA 0.739 57.041 56.287 0.026 0.000 1.040 1401 K CB 0.331 32.862 32.500 0.051 0.000 0.903 1401 K HN 0.795 nan 8.250 nan 0.000 0.549 1402 V N -2.081 117.801 119.914 -0.053 0.000 3.160 1402 V HA 0.465 4.586 4.120 0.002 0.000 0.310 1402 V C -1.182 174.894 176.094 -0.030 0.000 1.181 1402 V CA -1.331 60.950 62.300 -0.032 0.000 1.047 1402 V CB 1.603 33.405 31.823 -0.034 0.000 1.068 1402 V HN -0.151 nan 8.190 nan 0.000 0.441 1403 D N 1.267 121.666 120.400 -0.002 0.000 2.443 1403 D HA 0.542 5.183 4.640 0.002 0.000 0.239 1403 D C -0.409 175.897 176.300 0.011 0.000 1.136 1403 D CA 0.832 54.840 54.000 0.013 0.000 0.879 1403 D CB 0.937 41.749 40.800 0.022 0.000 1.195 1403 D HN 0.615 nan 8.370 nan 0.000 0.443 1404 I N 2.083 122.671 120.570 0.029 0.000 2.533 1404 I HA 0.357 4.528 4.170 0.002 0.000 0.290 1404 I C -0.342 175.805 176.117 0.050 0.000 1.056 1404 I CA -0.662 60.667 61.300 0.049 0.000 1.057 1404 I CB 1.770 39.813 38.000 0.072 0.000 1.240 1404 I HN 0.071 nan 8.210 nan 0.000 0.423 1405 I N 6.242 126.834 120.570 0.036 0.000 2.406 1405 I HA 0.422 4.593 4.170 0.002 0.000 0.290 1405 I C -0.290 175.817 176.117 -0.018 0.000 0.999 1405 I CA -0.599 60.710 61.300 0.014 0.000 1.124 1405 I CB 1.479 39.484 38.000 0.009 0.000 1.289 1405 I HN 0.293 nan 8.210 nan 0.000 0.441 1406 L N 5.202 126.409 121.223 -0.026 0.000 2.454 1406 L HA 0.358 4.700 4.340 0.002 0.000 0.256 1406 L C 1.445 178.284 176.870 -0.053 0.000 1.136 1406 L CA -0.687 54.113 54.840 -0.065 0.000 0.804 1406 L CB 0.648 42.677 42.059 -0.051 0.000 1.181 1406 L HN 0.607 nan 8.230 nan 0.000 0.469 1407 K N 0.865 121.223 120.400 -0.068 0.000 2.152 1407 K HA -0.170 4.151 4.320 0.002 0.000 0.206 1407 K C 1.371 177.952 176.600 -0.031 0.000 1.048 1407 K CA 1.675 57.931 56.287 -0.052 0.000 0.933 1407 K CB -0.156 32.310 32.500 -0.057 0.000 0.721 1407 K HN 0.632 nan 8.250 nan 0.000 0.447 1408 N N -0.685 118.003 118.700 -0.021 0.000 2.398 1408 N HA 0.003 4.744 4.740 0.002 0.000 0.188 1408 N C 0.993 176.504 175.510 0.001 0.000 1.122 1408 N CA 0.998 54.045 53.050 -0.005 0.000 0.866 1408 N CB 0.655 39.146 38.487 0.007 0.000 0.970 1408 N HN 0.239 nan 8.380 nan 0.000 0.462 1409 G N -0.875 107.923 108.800 -0.002 0.000 2.234 1409 G HA2 -0.267 3.694 3.960 0.002 0.000 0.235 1409 G HA3 -0.267 3.694 3.960 0.002 0.000 0.235 1409 G C -0.187 174.722 174.900 0.015 0.000 0.997 1409 G CA 0.079 45.181 45.100 0.004 0.000 0.623 1409 G HN 0.308 nan 8.290 nan 0.000 0.514 1410 V N 2.101 122.029 119.914 0.023 0.000 2.617 1410 V HA 0.282 4.403 4.120 0.002 0.000 0.304 1410 V C 1.080 177.200 176.094 0.044 0.000 1.040 1410 V CA 0.721 63.045 62.300 0.041 0.000 1.149 1410 V CB 0.950 32.808 31.823 0.059 0.000 0.914 1410 V HN 0.353 nan 8.190 nan 0.000 0.487 1411 I N 5.798 126.399 120.570 0.051 0.000 2.437 1411 I HA 0.475 4.647 4.170 0.002 0.000 0.298 1411 I C -0.213 175.951 176.117 0.078 0.000 0.984 1411 I CA -0.338 60.994 61.300 0.054 0.000 1.214 1411 I CB 1.669 39.695 38.000 0.043 0.000 1.365 1411 I HN 0.421 nan 8.210 nan 0.000 0.469 1412 I N 6.153 126.776 120.570 0.089 0.000 2.411 1412 I HA 0.256 4.428 4.170 0.002 0.000 0.284 1412 I C -0.248 175.922 176.117 0.088 0.000 1.012 1412 I CA -0.953 60.415 61.300 0.114 0.000 1.119 1412 I CB 1.118 39.223 38.000 0.175 0.000 1.261 1412 I HN 0.385 nan 8.210 nan 0.000 0.448 1413 K N 3.613 124.060 120.400 0.079 0.000 2.355 1413 K HA 0.183 4.504 4.320 0.002 0.000 0.270 1413 K C 0.295 176.935 176.600 0.066 0.000 1.003 1413 K CA -0.073 56.252 56.287 0.062 0.000 0.957 1413 K CB 1.091 33.624 32.500 0.056 0.000 0.939 1413 K HN 0.523 nan 8.250 nan 0.000 0.482 1414 S N 0.263 115.991 115.700 0.047 0.000 2.554 1414 S HA 0.161 4.632 4.470 0.002 0.000 0.290 1414 S C 1.334 175.976 174.600 0.069 0.000 1.309 1414 S CA 1.488 59.716 58.200 0.046 0.000 1.047 1414 S CB -0.133 63.084 63.200 0.029 0.000 0.828 1414 S HN 0.776 nan 8.310 nan 0.000 0.509 1415 G N 2.843 111.702 108.800 0.098 0.000 2.253 1415 G HA2 -0.255 3.706 3.960 0.002 0.000 0.251 1415 G HA3 -0.255 3.706 3.960 0.002 0.000 0.251 1415 G C 0.319 175.355 174.900 0.228 0.000 0.998 1415 G CA 0.402 45.572 45.100 0.115 0.000 0.621 1415 G HN 0.941 nan 8.290 nan 0.000 0.524 1416 T N 1.581 116.252 114.554 0.195 0.000 2.902 1416 T HA 0.362 4.713 4.350 0.002 0.000 0.301 1416 T C 0.435 175.287 174.700 0.254 0.000 1.012 1416 T CA 0.505 62.725 62.100 0.200 0.000 1.151 1416 T CB 1.364 70.323 68.868 0.151 0.000 0.946 1416 T HN 0.467 nan 8.240 nan 0.000 0.542 1417 E N 2.695 123.005 120.200 0.184 0.000 2.366 1417 E HA 0.066 4.417 4.350 0.002 0.000 0.266 1417 E C 0.260 176.797 176.600 -0.104 0.000 1.015 1417 E CA -0.171 56.149 56.400 -0.133 0.000 0.906 1417 E CB 0.270 29.803 29.700 -0.278 0.000 0.979 1417 E HN 0.594 nan 8.360 nan 0.000 0.443 1418 L N 4.024 125.175 121.223 -0.121 0.000 2.728 1418 L HA 0.054 4.396 4.340 0.002 0.000 0.238 1418 L C 1.734 178.530 176.870 -0.123 0.000 1.143 1418 L CA -0.048 54.811 54.840 0.032 0.000 0.937 1418 L CB 0.151 42.382 42.059 0.286 0.000 1.225 1418 L HN 0.602 nan 8.230 nan 0.000 0.507 1419 T N 0.486 114.875 114.554 -0.276 0.000 2.721 1419 T HA -0.306 4.045 4.350 0.002 0.000 0.268 1419 T C 1.814 176.347 174.700 -0.278 0.000 1.038 1419 T CA 2.156 64.076 62.100 -0.300 0.000 1.145 1419 T CB -0.233 68.389 68.868 -0.408 0.000 0.858 1419 T HN 0.592 nan 8.240 nan 0.000 0.459 1420 Q N 0.185 119.766 119.800 -0.364 0.000 2.297 1420 Q HA -0.138 4.204 4.340 0.002 0.000 0.208 1420 Q C 0.839 176.573 176.000 -0.442 0.000 0.981 1420 Q CA 1.417 56.960 55.803 -0.433 0.000 0.876 1420 Q CB -0.570 27.821 28.738 -0.579 0.000 0.921 1420 Q HN 0.591 nan 8.270 nan 0.000 0.446 1421 Y N 1.668 121.852 120.300 -0.194 0.000 2.583 1421 Y HA 0.256 4.807 4.550 0.002 0.000 0.294 1421 Y C 0.267 176.124 175.900 -0.072 0.000 1.170 1421 Y CA 0.105 58.105 58.100 -0.166 0.000 1.265 1421 Y CB 0.417 38.541 38.460 -0.560 0.000 1.119 1421 Y HN 0.187 nan 8.280 nan 0.000 0.522 1422 T N -2.833 111.709 114.554 -0.020 0.000 2.896 1422 T HA 0.736 5.087 4.350 0.002 0.000 0.297 1422 T C -0.131 174.613 174.700 0.072 0.000 1.108 1422 T CA -0.635 61.449 62.100 -0.027 0.000 1.004 1422 T CB 2.548 71.324 68.868 -0.152 0.000 1.159 1422 T HN 0.044 nan 8.240 nan 0.000 0.499 1423 T N -1.276 113.330 114.554 0.086 0.000 2.888 1423 T HA 0.870 5.221 4.350 0.002 0.000 0.288 1423 T C -0.584 174.131 174.700 0.025 0.000 1.063 1423 T CA -0.885 61.279 62.100 0.108 0.000 1.010 1423 T CB 1.520 70.439 68.868 0.085 0.000 1.214 1423 T HN 1.389 nan 8.240 nan 0.000 0.533 1424 A N 0.735 123.561 122.820 0.010 0.000 2.374 1424 A HA 0.726 5.048 4.320 0.002 0.000 0.305 1424 A C -0.680 176.894 177.584 -0.017 0.000 1.053 1424 A CA -0.765 51.202 52.037 -0.118 0.000 0.726 1424 A CB 1.508 20.312 19.000 -0.327 0.000 1.229 1424 A HN 0.934 nan 8.150 nan 0.000 0.431 1425 E N 1.849 122.043 120.200 -0.009 0.000 2.115 1425 E HA 0.514 4.865 4.350 0.002 0.000 0.282 1425 E C -1.150 175.463 176.600 0.020 0.000 0.987 1425 E CA -0.188 56.229 56.400 0.029 0.000 0.797 1425 E CB 1.028 30.759 29.700 0.052 0.000 1.086 1425 E HN 0.392 nan 8.360 nan 0.000 0.397 1426 V N 4.417 124.353 119.914 0.037 0.000 2.459 1426 V HA 0.363 4.484 4.120 0.002 0.000 0.295 1426 V C -0.575 175.555 176.094 0.061 0.000 1.029 1426 V CA -0.888 61.439 62.300 0.045 0.000 0.874 1426 V CB 1.736 33.615 31.823 0.093 0.000 0.985 1426 V HN 0.712 nan 8.190 nan 0.000 0.438 1427 D N 2.618 123.052 120.400 0.057 0.000 2.420 1427 D HA 0.235 4.876 4.640 0.002 0.000 0.255 1427 D C 0.765 177.092 176.300 0.044 0.000 1.185 1427 D CA -0.137 53.892 54.000 0.050 0.000 0.904 1427 D CB 2.143 42.972 40.800 0.047 0.000 1.102 1427 D HN 0.538 nan 8.370 nan 0.000 0.534 1428 T N 1.488 116.081 114.554 0.065 0.000 2.896 1428 T HA -0.079 4.272 4.350 0.002 0.000 0.263 1428 T C 1.561 176.293 174.700 0.054 0.000 1.050 1428 T CA 1.724 63.877 62.100 0.087 0.000 1.140 1428 T CB 0.258 69.188 68.868 0.104 0.000 0.877 1428 T HN 0.371 nan 8.240 nan 0.000 0.457 1429 T N 1.360 115.937 114.554 0.038 0.000 2.708 1429 T HA -0.066 4.285 4.350 0.002 0.000 0.266 1429 T C 1.943 176.641 174.700 -0.003 0.000 1.037 1429 T CA 1.534 63.648 62.100 0.023 0.000 1.146 1429 T CB -0.226 68.656 68.868 0.023 0.000 0.865 1429 T HN 0.388 nan 8.240 nan 0.000 0.435 1430 K N 0.626 121.016 120.400 -0.015 0.000 2.283 1430 K HA 0.063 4.384 4.320 0.002 0.000 0.202 1430 K C 1.036 177.552 176.600 -0.140 0.000 1.048 1430 K CA 0.802 57.061 56.287 -0.046 0.000 0.948 1430 K CB -0.280 32.210 32.500 -0.016 0.000 0.742 1430 K HN 0.390 nan 8.250 nan 0.000 0.458 1431 G N -0.052 108.644 108.800 -0.174 0.000 2.326 1431 G HA2 -0.134 3.827 3.960 0.002 0.000 0.286 1431 G HA3 -0.134 3.827 3.960 0.002 0.000 0.286 1431 G C -0.288 174.115 174.900 -0.828 0.000 1.096 1431 G CA 0.175 45.001 45.100 -0.457 0.000 1.003 1431 G HN 0.600 nan 8.290 nan 0.000 0.503 1432 A N -0.408 122.224 122.820 -0.313 0.000 2.556 1432 A HA 0.947 5.269 4.320 0.002 0.000 0.294 1432 A C -0.628 176.940 177.584 -0.028 0.000 1.091 1432 A CA -0.217 51.697 52.037 -0.204 0.000 0.704 1432 A CB 2.037 20.950 19.000 -0.145 0.000 1.300 1432 A HN 1.753 nan 8.150 nan 0.000 0.406 1433 I N 0.417 120.930 120.570 -0.095 0.000 2.656 1433 I HA 0.617 4.788 4.170 0.002 0.000 0.292 1433 I C -1.259 174.801 176.117 -0.096 0.000 1.144 1433 I CA -0.110 61.100 61.300 -0.151 0.000 1.038 1433 I CB 2.405 40.151 38.000 -0.424 0.000 1.244 1433 I HN 0.580 nan 8.210 nan 0.000 0.420 1434 T N 7.901 122.456 114.554 0.001 0.000 2.791 1434 T HA 0.530 4.881 4.350 0.002 0.000 0.288 1434 T C -0.235 174.458 174.700 -0.013 0.000 0.999 1434 T CA -0.240 61.922 62.100 0.102 0.000 0.952 1434 T CB 0.842 69.842 68.868 0.220 0.000 0.938 1434 T HN 0.310 nan 8.240 nan 0.000 0.444 1435 I N 3.840 124.402 120.570 -0.013 0.000 2.325 1435 I HA 0.313 4.485 4.170 0.002 0.000 0.291 1435 I C 0.369 176.574 176.117 0.147 0.000 1.019 1435 I CA -0.396 60.842 61.300 -0.104 0.000 1.302 1435 I CB 0.716 38.558 38.000 -0.263 0.000 1.401 1435 I HN 0.315 nan 8.210 nan 0.000 0.485 1436 K N 6.515 126.963 120.400 0.080 0.000 2.413 1436 K HA 0.438 4.759 4.320 0.002 0.000 0.257 1436 K C -1.000 175.707 176.600 0.178 0.000 0.946 1436 K CA -0.726 55.668 56.287 0.177 0.000 0.823 1436 K CB 1.969 34.556 32.500 0.145 0.000 1.109 1436 K HN 0.229 nan 8.250 nan 0.000 0.427 1437 F N 2.582 122.714 119.950 0.302 0.000 2.484 1437 F HA 0.082 4.610 4.527 0.002 0.000 0.360 1437 F C 1.019 176.974 175.800 0.258 0.000 1.101 1437 F CA 0.075 58.264 58.000 0.315 0.000 1.251 1437 F CB 0.589 39.814 39.000 0.376 0.000 1.132 1437 F HN 0.188 nan 8.300 nan 0.000 0.570 1438 K N 3.248 123.926 120.400 0.463 0.000 2.451 1438 K HA -0.066 4.255 4.320 0.002 0.000 0.280 1438 K C 1.205 178.012 176.600 0.345 0.000 1.020 1438 K CA 0.058 56.556 56.287 0.351 0.000 1.008 1438 K CB 0.588 33.285 32.500 0.328 0.000 0.917 1438 K HN 0.733 nan 8.250 nan 0.000 0.478 1439 E N 2.960 123.308 120.200 0.248 0.000 2.085 1439 E HA -0.267 4.084 4.350 0.002 0.000 0.194 1439 E C 1.743 178.434 176.600 0.152 0.000 0.994 1439 E CA 1.501 58.022 56.400 0.202 0.000 0.801 1439 E CB 0.055 29.861 29.700 0.176 0.000 0.743 1439 E HN 0.744 nan 8.360 nan 0.000 0.453 1440 A N 0.541 123.456 122.820 0.158 0.000 1.933 1440 A HA -0.185 4.136 4.320 0.002 0.000 0.218 1440 A C 1.981 179.631 177.584 0.111 0.000 1.175 1440 A CA 1.362 53.471 52.037 0.119 0.000 0.628 1440 A CB -0.868 18.210 19.000 0.130 0.000 0.814 1440 A HN 0.532 nan 8.150 nan 0.000 0.444 1441 F N 0.684 120.668 119.950 0.056 0.000 2.075 1441 F HA -0.149 4.379 4.527 0.002 0.000 0.297 1441 F C 1.908 177.626 175.800 -0.138 0.000 1.113 1441 F CA 1.775 59.742 58.000 -0.055 0.000 1.218 1441 F CB -0.408 38.573 39.000 -0.031 0.000 0.984 1441 F HN 0.143 nan 8.300 nan 0.000 0.472 1442 L N 0.132 121.216 121.223 -0.232 0.000 2.042 1442 L HA -0.248 4.093 4.340 0.002 0.000 0.210 1442 L C 2.665 179.288 176.870 -0.411 0.000 1.076 1442 L CA 1.664 56.208 54.840 -0.493 0.000 0.749 1442 L CB -0.701 41.199 42.059 -0.266 0.000 0.893 1442 L HN 0.098 nan 8.230 nan 0.000 0.432 1443 R N -0.274 120.110 120.500 -0.193 0.000 2.189 1443 R HA -0.104 4.237 4.340 0.002 0.000 0.223 1443 R C 2.445 178.647 176.300 -0.163 0.000 1.092 1443 R CA 1.353 57.381 56.100 -0.121 0.000 0.989 1443 R CB -0.226 30.059 30.300 -0.024 0.000 0.876 1443 R HN 0.467 nan 8.270 nan 0.000 0.457 1444 S N -0.204 115.351 115.700 -0.241 0.000 2.522 1444 S HA 0.025 4.496 4.470 0.002 0.000 0.227 1444 S C 0.914 175.353 174.600 -0.270 0.000 0.986 1444 S CA -0.170 57.899 58.200 -0.219 0.000 0.929 1444 S CB 0.026 63.106 63.200 -0.200 0.000 0.769 1444 S HN -0.093 nan 8.310 nan 0.000 0.529 1445 V N 2.596 122.284 119.914 -0.378 0.000 2.686 1445 V HA 0.316 4.437 4.120 0.002 0.000 0.295 1445 V C 0.822 176.819 176.094 -0.161 0.000 1.055 1445 V CA -0.434 61.686 62.300 -0.300 0.000 1.050 1445 V CB 1.175 32.762 31.823 -0.393 0.000 0.984 1445 V HN 0.477 nan 8.190 nan 0.000 0.482 1446 S N 3.449 119.086 115.700 -0.106 0.000 2.562 1446 S HA 0.173 4.644 4.470 0.002 0.000 0.281 1446 S C 1.249 175.768 174.600 -0.136 0.000 1.333 1446 S CA -0.328 57.813 58.200 -0.098 0.000 1.052 1446 S CB 0.296 63.450 63.200 -0.076 0.000 0.884 1446 S HN 0.657 nan 8.310 nan 0.000 0.506 1447 I N 1.034 121.476 120.570 -0.213 0.000 2.830 1447 I HA 0.027 4.199 4.170 0.002 0.000 0.263 1447 I C 0.654 176.341 176.117 -0.715 0.000 1.230 1447 I CA 1.077 62.071 61.300 -0.510 0.000 1.480 1447 I CB -0.204 37.602 38.000 -0.324 0.000 1.095 1447 I HN 0.416 nan 8.210 nan 0.000 0.455 1448 D N 1.059 121.270 120.400 -0.316 0.000 2.333 1448 D HA 0.030 4.671 4.640 0.002 0.000 0.208 1448 D C 1.172 177.416 176.300 -0.093 0.000 0.984 1448 D CA 0.452 54.336 54.000 -0.194 0.000 0.873 1448 D CB 0.206 40.944 40.800 -0.104 0.000 0.935 1448 D HN 0.343 nan 8.370 nan 0.000 0.521 1449 S N 0.086 115.758 115.700 -0.047 0.000 2.584 1449 S HA 0.501 4.972 4.470 0.002 0.000 0.273 1449 S C 0.108 174.823 174.600 0.191 0.000 1.311 1449 S CA -0.695 57.544 58.200 0.065 0.000 1.034 1449 S CB 1.109 64.347 63.200 0.063 0.000 0.939 1449 S HN 0.161 nan 8.310 nan 0.000 0.513 1450 A N 3.014 125.917 122.820 0.138 0.000 2.346 1450 A HA 0.676 4.998 4.320 0.002 0.000 0.252 1450 A C -0.648 177.036 177.584 0.167 0.000 1.089 1450 A CA -0.299 51.823 52.037 0.142 0.000 0.797 1450 A CB 0.029 19.073 19.000 0.073 0.000 1.047 1450 A HN 0.954 nan 8.150 nan 0.000 0.494 1451 F N -0.294 119.624 119.950 -0.053 0.000 2.604 1451 F HA 0.543 5.071 4.527 0.002 0.000 0.316 1451 F C -0.687 175.041 175.800 -0.119 0.000 1.136 1451 F CA -0.167 57.755 58.000 -0.130 0.000 0.989 1451 F CB 1.509 40.364 39.000 -0.242 0.000 1.258 1451 F HN 0.754 nan 8.300 nan 0.000 0.451 1452 Q N 4.654 124.056 119.800 -0.663 0.000 2.426 1452 Q HA 0.809 5.151 4.340 0.002 0.000 0.278 1452 Q C -2.175 173.527 176.000 -0.497 0.000 1.007 1452 Q CA -0.812 54.774 55.803 -0.362 0.000 0.850 1452 Q CB 2.475 31.180 28.738 -0.054 0.000 1.427 1452 Q HN 0.994 nan 8.270 nan 0.000 0.391 1453 A N 2.267 125.029 122.820 -0.095 0.000 2.556 1453 A HA 0.784 5.105 4.320 0.002 0.000 0.294 1453 A C -1.759 176.153 177.584 0.547 0.000 1.091 1453 A CA -0.620 51.545 52.037 0.215 0.000 0.704 1453 A CB 1.859 21.107 19.000 0.413 0.000 1.300 1453 A HN 0.749 nan 8.150 nan 0.000 0.406 1454 E N 0.562 120.996 120.200 0.391 0.000 2.292 1454 E HA 0.673 5.024 4.350 0.002 0.000 0.272 1454 E C -1.242 175.291 176.600 -0.112 0.000 0.881 1454 E CA -0.706 55.809 56.400 0.192 0.000 0.754 1454 E CB 1.928 31.677 29.700 0.083 0.000 1.201 1454 E HN 0.291 nan 8.360 nan 0.000 0.425 1455 S N 1.646 116.994 115.700 -0.586 0.000 2.549 1455 S HA 0.408 4.879 4.470 0.002 0.000 0.297 1455 S C -1.273 173.123 174.600 -0.340 0.000 1.115 1455 S CA -0.561 57.299 58.200 -0.566 0.000 1.059 1455 S CB 0.443 62.983 63.200 -1.099 0.000 1.046 1455 S HN 0.433 nan 8.310 nan 0.000 0.506 1456 Y N 2.378 122.640 120.300 -0.064 0.000 2.328 1456 Y HA 0.471 5.023 4.550 0.002 0.000 0.333 1456 Y C 0.306 176.204 175.900 -0.004 0.000 0.958 1456 Y CA -0.893 57.207 58.100 -0.000 0.000 1.167 1456 Y CB 0.817 39.336 38.460 0.100 0.000 1.151 1456 Y HN 0.536 nan 8.280 nan 0.000 0.470 1457 I N 1.124 121.742 120.570 0.081 0.000 2.336 1457 I HA 0.486 4.658 4.170 0.002 0.000 0.292 1457 I C -0.519 175.594 176.117 -0.006 0.000 0.991 1457 I CA -0.959 60.384 61.300 0.071 0.000 1.227 1457 I CB 1.612 39.564 38.000 -0.080 0.000 1.366 1457 I HN 0.550 nan 8.210 nan 0.000 0.466 1458 Q N 6.935 126.743 119.800 0.014 0.000 2.295 1458 Q HA 0.398 4.739 4.340 0.002 0.000 0.259 1458 Q C -1.129 174.680 176.000 -0.318 0.000 0.976 1458 Q CA -0.517 55.180 55.803 -0.178 0.000 0.923 1458 Q CB 0.953 29.602 28.738 -0.147 0.000 1.185 1458 Q HN 0.650 nan 8.270 nan 0.000 0.410 1459 M N 2.988 122.216 119.600 -0.621 0.000 2.602 1459 M HA 0.462 4.943 4.480 0.002 0.000 0.312 1459 M C -0.954 175.009 176.300 -0.563 0.000 1.181 1459 M CA -0.680 54.190 55.300 -0.716 0.000 0.910 1459 M CB 1.685 33.587 32.600 -1.164 0.000 1.723 1459 M HN 0.441 nan 8.290 nan 0.000 0.459 1460 K N 1.215 121.487 120.400 -0.214 0.000 2.323 1460 K HA 0.478 4.800 4.320 0.002 0.000 0.259 1460 K C -0.667 176.019 176.600 0.144 0.000 0.947 1460 K CA -0.696 55.604 56.287 0.023 0.000 0.819 1460 K CB 1.666 34.202 32.500 0.059 0.000 1.109 1460 K HN 0.511 nan 8.250 nan 0.000 0.429 1461 R N 4.676 125.348 120.500 0.286 0.000 2.343 1461 R HA 0.116 4.457 4.340 0.002 0.000 0.326 1461 R C 0.305 176.641 176.300 0.059 0.000 1.055 1461 R CA 0.165 56.370 56.100 0.174 0.000 0.961 1461 R CB -0.339 30.029 30.300 0.114 0.000 0.978 1461 R HN 0.773 nan 8.270 nan 0.000 0.443 1462 I N 0.946 121.515 120.570 -0.002 0.000 4.018 1462 I HA 0.545 4.717 4.170 0.002 0.000 0.337 1462 I C 0.203 176.324 176.117 0.006 0.000 1.327 1462 I CA -0.217 61.081 61.300 -0.003 0.000 1.100 1462 I CB 0.630 38.621 38.000 -0.014 0.000 1.025 1462 I HN 0.448 nan 8.210 nan 0.000 0.396 1463 A N 0.822 123.654 122.820 0.020 0.000 2.602 1463 A HA 0.768 5.089 4.320 0.002 0.000 0.290 1463 A C -0.624 177.109 177.584 0.248 0.000 1.114 1463 A CA -0.243 51.867 52.037 0.122 0.000 0.683 1463 A CB 1.270 20.369 19.000 0.164 0.000 1.281 1463 A HN 0.342 nan 8.150 nan 0.000 0.416 1464 V N -1.053 119.008 119.914 0.244 0.000 2.997 1464 V HA 0.980 5.101 4.120 0.002 0.000 0.311 1464 V C 0.523 176.763 176.094 0.243 0.000 1.066 1464 V CA 0.645 63.081 62.300 0.227 0.000 1.039 1464 V CB 0.821 32.709 31.823 0.108 0.000 1.081 1464 V HN 2.852 nan 8.190 nan 0.000 0.467 1465 G N 1.816 110.653 108.800 0.062 0.000 2.315 1465 G HA2 0.239 4.200 3.960 0.002 0.000 0.296 1465 G HA3 0.239 4.200 3.960 0.002 0.000 0.296 1465 G C -0.540 174.092 174.900 -0.448 0.000 1.289 1465 G CA -0.279 44.662 45.100 -0.266 0.000 0.996 1465 G HN 1.226 nan 8.290 nan 0.000 0.487 1466 T N 0.993 115.129 114.554 -0.696 0.000 2.786 1466 T HA 0.668 5.019 4.350 0.002 0.000 0.283 1466 T C -1.140 173.173 174.700 -0.644 0.000 0.992 1466 T CA 0.000 61.825 62.100 -0.459 0.000 0.954 1466 T CB 0.664 69.398 68.868 -0.222 0.000 0.934 1466 T HN 0.484 nan 8.240 nan 0.000 0.440 1467 F N 1.590 121.586 119.950 0.077 0.000 2.507 1467 F HA 0.488 5.016 4.527 0.002 0.000 0.325 1467 F C 0.713 176.586 175.800 0.122 0.000 1.116 1467 F CA -1.051 57.016 58.000 0.112 0.000 0.930 1467 F CB 1.666 40.761 39.000 0.159 0.000 1.146 1467 F HN 0.421 nan 8.300 nan 0.000 0.447 1468 E N 1.187 121.543 120.200 0.261 0.000 2.232 1468 E HA 0.489 4.841 4.350 0.002 0.000 0.264 1468 E C -1.185 175.495 176.600 0.134 0.000 0.973 1468 E CA -1.187 55.311 56.400 0.163 0.000 0.849 1468 E CB 2.297 32.052 29.700 0.093 0.000 1.198 1468 E HN 0.551 nan 8.360 nan 0.000 0.407 1469 N N -0.324 118.395 118.700 0.030 0.000 2.405 1469 N HA 0.370 5.111 4.740 0.002 0.000 0.274 1469 N C -1.992 173.466 175.510 -0.088 0.000 1.170 1469 N CA -0.268 52.724 53.050 -0.097 0.000 0.848 1469 N CB 2.185 40.394 38.487 -0.463 0.000 1.629 1469 N HN 0.298 nan 8.380 nan 0.000 0.481 1470 T N 1.442 115.965 114.554 -0.052 0.000 2.916 1470 T HA 0.452 4.804 4.350 0.002 0.000 0.305 1470 T C -1.684 173.058 174.700 0.070 0.000 1.119 1470 T CA -0.489 61.616 62.100 0.008 0.000 1.008 1470 T CB 0.786 69.659 68.868 0.009 0.000 1.129 1470 T HN 0.487 nan 8.240 nan 0.000 0.480 1471 Y N 1.231 121.509 120.300 -0.036 0.000 2.576 1471 Y HA 0.843 5.394 4.550 0.002 0.000 0.346 1471 Y C -1.746 174.190 175.900 0.060 0.000 1.018 1471 Y CA -1.592 56.506 58.100 -0.003 0.000 1.050 1471 Y CB 1.179 39.640 38.460 0.002 0.000 1.280 1471 Y HN 0.394 nan 8.280 nan 0.000 0.474 1472 I N 3.596 124.085 120.570 -0.135 0.000 2.362 1472 I HA 0.255 4.426 4.170 0.002 0.000 0.289 1472 I C -0.647 175.351 176.117 -0.197 0.000 0.994 1472 I CA -0.631 60.550 61.300 -0.199 0.000 1.158 1472 I CB 1.146 39.198 38.000 0.087 0.000 1.315 1472 I HN 0.834 nan 8.210 nan 0.000 0.451 1473 N N 4.759 123.234 118.700 -0.375 0.000 2.439 1473 N HA 0.273 5.014 4.740 0.002 0.000 0.249 1473 N C -0.807 174.616 175.510 -0.144 0.000 1.003 1473 N CA -0.165 52.738 53.050 -0.245 0.000 0.942 1473 N CB 0.866 39.154 38.487 -0.332 0.000 1.115 1473 N HN 0.490 nan 8.380 nan 0.000 0.505 1474 T N 2.737 117.203 114.554 -0.147 0.000 2.743 1474 T HA 0.249 4.600 4.350 0.002 0.000 0.292 1474 T C -0.134 174.469 174.700 -0.161 0.000 0.972 1474 T CA -0.409 61.638 62.100 -0.088 0.000 0.967 1474 T CB 1.188 70.021 68.868 -0.060 0.000 0.926 1474 T HN 0.159 nan 8.240 nan 0.000 0.459 1475 V N 4.900 124.765 119.914 -0.082 0.000 2.378 1475 V HA 0.316 4.437 4.120 0.002 0.000 0.288 1475 V C 0.210 176.205 176.094 -0.164 0.000 1.016 1475 V CA -1.058 61.150 62.300 -0.154 0.000 0.840 1475 V CB 1.017 32.746 31.823 -0.156 0.000 0.994 1475 V HN 0.935 nan 8.190 nan 0.000 0.431 1476 N N 4.292 122.752 118.700 -0.399 0.000 2.714 1476 N HA -0.214 4.527 4.740 0.002 0.000 0.252 1476 N C 1.151 176.546 175.510 -0.191 0.000 1.014 1476 N CA 1.695 54.320 53.050 -0.709 0.000 0.735 1476 N CB -0.993 37.095 38.487 -0.665 0.000 0.924 1476 N HN 1.460 nan 8.380 nan 0.000 0.540 1477 G N -3.466 105.294 108.800 -0.067 0.000 2.176 1477 G HA2 -0.277 3.684 3.960 0.002 0.000 0.253 1477 G HA3 -0.277 3.684 3.960 0.002 0.000 0.253 1477 G C -0.065 174.817 174.900 -0.030 0.000 0.979 1477 G CA 0.245 45.367 45.100 0.036 0.000 0.641 1477 G HN 0.564 nan 8.290 nan 0.000 0.530 1478 V N 1.929 121.806 119.914 -0.061 0.000 2.417 1478 V HA 0.701 4.822 4.120 0.002 0.000 0.291 1478 V C 0.724 176.671 176.094 -0.246 0.000 1.024 1478 V CA -0.065 62.133 62.300 -0.170 0.000 0.861 1478 V CB 1.625 33.339 31.823 -0.182 0.000 0.985 1478 V HN 0.701 nan 8.190 nan 0.000 0.436 1479 T N 1.776 116.129 114.554 -0.335 0.000 2.882 1479 T HA 0.699 5.050 4.350 0.002 0.000 0.287 1479 T C -0.993 173.437 174.700 -0.449 0.000 0.992 1479 T CA -0.375 61.568 62.100 -0.262 0.000 1.076 1479 T CB 0.630 69.389 68.868 -0.182 0.000 0.961 1479 T HN 0.445 nan 8.240 nan 0.000 0.490 1480 Y N 0.748 120.952 120.300 -0.161 0.000 2.354 1480 Y HA 0.522 5.073 4.550 0.002 0.000 0.330 1480 Y C 0.492 176.260 175.900 -0.220 0.000 1.011 1480 Y CA -1.076 56.927 58.100 -0.162 0.000 1.099 1480 Y CB 2.198 40.560 38.460 -0.163 0.000 1.179 1480 Y HN 0.831 nan 8.280 nan 0.000 0.442 1481 S N 2.217 117.887 115.700 -0.051 0.000 2.586 1481 S HA 0.535 5.006 4.470 0.002 0.000 0.274 1481 S C 0.213 174.723 174.600 -0.150 0.000 1.281 1481 S CA -0.532 57.590 58.200 -0.130 0.000 1.035 1481 S CB 0.512 63.667 63.200 -0.075 0.000 0.962 1481 S HN 0.739 nan 8.310 nan 0.000 0.512 1482 S N 3.697 119.256 115.700 -0.235 0.000 2.686 1482 S HA 0.377 4.848 4.470 0.002 0.000 0.270 1482 S C 0.267 174.852 174.600 -0.024 0.000 1.194 1482 S CA -0.941 57.189 58.200 -0.116 0.000 0.990 1482 S CB 0.014 63.180 63.200 -0.056 0.000 1.029 1482 S HN 0.918 nan 8.310 nan 0.000 0.560 1483 N N 0.115 118.827 118.700 0.021 0.000 2.326 1483 N HA 0.099 4.840 4.740 0.002 0.000 0.239 1483 N C -0.803 174.727 175.510 0.033 0.000 1.301 1483 N CA -0.140 52.927 53.050 0.028 0.000 0.909 1483 N CB -0.493 38.018 38.487 0.041 0.000 1.156 1483 N HN 0.617 nan 8.380 nan 0.000 0.462 1484 T N 0.195 114.766 114.554 0.028 0.000 2.758 1484 T HA 0.377 4.728 4.350 0.002 0.000 0.285 1484 T C 0.365 175.086 174.700 0.036 0.000 0.981 1484 T CA -0.835 61.280 62.100 0.025 0.000 0.965 1484 T CB 0.664 69.544 68.868 0.022 0.000 0.927 1484 T HN 0.505 nan 8.240 nan 0.000 0.448 1485 V N 1.324 121.258 119.914 0.034 0.000 2.863 1485 V HA 0.736 4.857 4.120 0.002 0.000 0.307 1485 V C -0.157 175.989 176.094 0.087 0.000 1.061 1485 V CA -0.865 61.476 62.300 0.068 0.000 1.024 1485 V CB 1.365 33.251 31.823 0.106 0.000 1.049 1485 V HN 0.843 nan 8.190 nan 0.000 0.471 1486 K N 2.048 122.508 120.400 0.101 0.000 2.565 1486 K HA 0.591 4.912 4.320 0.002 0.000 0.249 1486 K C -0.716 175.943 176.600 0.099 0.000 0.958 1486 K CA -0.106 56.241 56.287 0.100 0.000 0.806 1486 K CB 2.007 34.542 32.500 0.058 0.000 1.194 1486 K HN 1.171 nan 8.250 nan 0.000 0.434 1487 T N -0.350 114.281 114.554 0.128 0.000 2.930 1487 T HA 0.559 4.910 4.350 0.002 0.000 0.290 1487 T C -0.279 174.465 174.700 0.073 0.000 1.052 1487 T CA -0.601 61.546 62.100 0.079 0.000 1.017 1487 T CB 1.781 70.668 68.868 0.033 0.000 1.137 1487 T HN 0.332 nan 8.240 nan 0.000 0.511 1488 T N 1.559 116.132 114.554 0.033 0.000 2.885 1488 T HA 0.759 5.110 4.350 0.002 0.000 0.285 1488 T C -0.411 174.314 174.700 0.042 0.000 1.019 1488 T CA -0.526 61.588 62.100 0.022 0.000 1.010 1488 T CB 1.790 70.657 68.868 -0.002 0.000 1.022 1488 T HN 0.856 nan 8.240 nan 0.000 0.466 1489 T N 0.000 114.593 114.554 0.065 0.000 3.816 1489 T HA 0.000 4.351 4.350 0.002 0.000 0.228 1489 T CA 0.000 62.148 62.100 0.080 0.000 1.349 1489 T CB 0.000 68.969 68.868 0.167 0.000 0.612 1489 T HN 0.000 nan 8.240 nan 0.000 0.658