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_E DATA FIRST_RESID 1151 DATA SEQUENCE NYIKPTKVNK NENGVVIDDK TVLAGSTNYY ELTWDLDQYK NDRSSADTIQ DATA SEQUENCE KGFYYVDDYP EEALELRQDL VKITDANGNE VTGVSVDNYT SLEAAPQEIR DATA SEQUENCE DVLSKAGIRP KGAFQIFRAD NPREFYDTYV KTGIDLKIVS PMVVKKQMGQ DATA SEQUENCE TGGSYENQAY QIDFGNGYAS NIVINNVPKI NPKKDVTLTL DPADTNNVDG DATA SEQUENCE QTIPLNTVFN YRLIGGIIPA NHSEELFEYN FYDDYDQTGD HYTGQYKVFA DATA SEQUENCE KVDIILKNGV IIKSGTELTQ YTTAEVDTTK GAITIKFKEA FLRSVSIDSA DATA SEQUENCE FQAESYIQMK RIAVGTFENT YINTVNGVTY SSNTVKTTT 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 1151 N HA 0.000 nan 4.740 nan 0.000 0.220 1151 N C 0.000 175.579 175.510 0.116 0.000 1.280 1151 N CA 0.000 53.079 53.050 0.048 0.000 0.885 1151 N CB 0.000 38.503 38.487 0.027 0.000 1.341 1152 Y N 2.173 122.457 120.300 -0.026 0.000 2.987 1152 Y HA 0.052 4.601 4.550 -0.002 0.000 0.339 1152 Y C 0.751 176.610 175.900 -0.069 0.000 1.272 1152 Y CA -0.127 57.957 58.100 -0.026 0.000 1.562 1152 Y CB 0.259 38.723 38.460 0.006 0.000 1.253 1152 Y HN 0.237 nan 8.280 nan 0.000 0.604 1153 I N 7.085 127.552 120.570 -0.172 0.000 2.671 1153 I HA -0.049 4.120 4.170 -0.002 0.000 0.285 1153 I C 0.026 175.922 176.117 -0.367 0.000 1.148 1153 I CA 0.904 61.972 61.300 -0.386 0.000 1.386 1153 I CB 0.004 37.558 38.000 -0.744 0.000 1.406 1153 I HN 0.407 nan 8.210 nan 0.000 0.540 1154 K N 9.817 130.106 120.400 -0.184 0.000 2.731 1154 K HA 0.367 4.686 4.320 -0.002 0.000 0.257 1154 K C -2.776 173.823 176.600 -0.002 0.000 1.032 1154 K CA -1.401 54.837 56.287 -0.080 0.000 0.983 1154 K CB 1.858 34.340 32.500 -0.029 0.000 1.248 1154 K HN 0.174 nan 8.250 nan 0.000 0.484 1155 P HA 0.089 nan 4.420 nan 0.000 0.275 1155 P C -0.705 176.628 177.300 0.056 0.000 1.227 1155 P CA -0.019 63.139 63.100 0.097 0.000 0.781 1155 P CB 1.288 33.020 31.700 0.054 0.000 0.906 1156 T N -0.861 113.745 114.554 0.086 0.000 2.907 1156 T HA 0.654 5.003 4.350 -0.002 0.000 0.292 1156 T C -0.831 173.905 174.700 0.061 0.000 1.043 1156 T CA -0.932 61.198 62.100 0.050 0.000 1.003 1156 T CB 2.222 71.115 68.868 0.042 0.000 1.084 1156 T HN 0.440 nan 8.240 nan 0.000 0.483 1157 K N 1.105 121.523 120.400 0.030 0.000 2.507 1157 K HA 0.709 5.027 4.320 -0.002 0.000 0.251 1157 K C -1.913 174.717 176.600 0.050 0.000 0.943 1157 K CA -0.830 55.476 56.287 0.031 0.000 0.794 1157 K CB 2.297 34.780 32.500 -0.028 0.000 1.188 1157 K HN 0.618 nan 8.250 nan 0.000 0.428 1158 V N 3.463 123.434 119.914 0.096 0.000 2.735 1158 V HA 0.527 4.646 4.120 -0.002 0.000 0.310 1158 V C -1.500 174.724 176.094 0.216 0.000 1.061 1158 V CA -0.798 61.575 62.300 0.122 0.000 0.913 1158 V CB 2.061 33.935 31.823 0.085 0.000 1.005 1158 V HN 0.950 nan 8.190 nan 0.000 0.428 1159 N N 4.470 123.306 118.700 0.227 0.000 2.430 1159 N HA 0.541 5.279 4.740 -0.002 0.000 0.292 1159 N C -1.027 174.566 175.510 0.139 0.000 1.051 1159 N CA -0.291 52.911 53.050 0.253 0.000 0.917 1159 N CB 1.524 40.172 38.487 0.268 0.000 1.164 1159 N HN 0.723 nan 8.380 nan 0.000 0.484 1160 K N 1.155 121.631 120.400 0.128 0.000 2.426 1160 K HA 0.347 4.665 4.320 -0.002 0.000 0.251 1160 K C -0.203 176.490 176.600 0.156 0.000 0.941 1160 K CA -0.947 55.405 56.287 0.108 0.000 0.808 1160 K CB 1.237 33.789 32.500 0.086 0.000 1.265 1160 K HN 0.714 nan 8.250 nan 0.000 0.432 1161 N N 0.524 119.287 118.700 0.106 0.000 2.290 1161 N HA -0.089 4.650 4.740 -0.002 0.000 0.269 1161 N C 0.629 176.118 175.510 -0.035 0.000 1.295 1161 N CA 0.104 53.234 53.050 0.133 0.000 0.932 1161 N CB 0.155 38.687 38.487 0.074 0.000 1.128 1161 N HN 0.703 nan 8.380 nan 0.000 0.532 1162 E N -1.901 118.223 120.200 -0.127 0.000 2.268 1162 E HA -0.107 4.242 4.350 -0.002 0.000 0.195 1162 E C 0.049 176.440 176.600 -0.349 0.000 0.995 1162 E CA 0.847 56.934 56.400 -0.521 0.000 0.836 1162 E CB -0.371 29.174 29.700 -0.260 0.000 0.763 1162 E HN 0.446 nan 8.360 nan 0.000 0.491 1163 N N 0.195 118.790 118.700 -0.175 0.000 2.235 1163 N HA 0.099 4.838 4.740 -0.002 0.000 0.209 1163 N C 0.789 176.239 175.510 -0.101 0.000 1.122 1163 N CA 0.759 53.734 53.050 -0.126 0.000 0.845 1163 N CB 1.300 39.741 38.487 -0.076 0.000 1.004 1163 N HN 0.434 nan 8.380 nan 0.000 0.499 1164 G N -0.250 108.486 108.800 -0.107 0.000 2.199 1164 G HA2 -0.291 3.668 3.960 -0.002 0.000 0.254 1164 G HA3 -0.291 3.668 3.960 -0.002 0.000 0.254 1164 G C 0.123 175.007 174.900 -0.027 0.000 0.982 1164 G CA 0.198 45.260 45.100 -0.063 0.000 0.632 1164 G HN 0.195 nan 8.290 nan 0.000 0.529 1165 V N 1.514 121.413 119.914 -0.025 0.000 2.673 1165 V HA 0.310 4.428 4.120 -0.002 0.000 0.303 1165 V C 1.495 177.596 176.094 0.011 0.000 1.046 1165 V CA -0.192 62.102 62.300 -0.010 0.000 1.126 1165 V CB 1.520 33.334 31.823 -0.015 0.000 0.934 1165 V HN 0.301 nan 8.190 nan 0.000 0.487 1166 V N 6.579 126.502 119.914 0.014 0.000 2.572 1166 V HA 0.097 4.215 4.120 -0.002 0.000 0.291 1166 V C 0.966 177.078 176.094 0.030 0.000 1.039 1166 V CA 0.521 62.840 62.300 0.031 0.000 1.055 1166 V CB 0.892 32.731 31.823 0.027 0.000 0.969 1166 V HN 0.870 nan 8.190 nan 0.000 0.482 1167 I N -0.691 119.908 120.570 0.049 0.000 4.050 1167 I HA 0.425 4.594 4.170 -0.002 0.000 0.327 1167 I C -0.045 176.100 176.117 0.046 0.000 1.473 1167 I CA -0.542 60.784 61.300 0.042 0.000 1.124 1167 I CB 0.398 38.429 38.000 0.052 0.000 1.129 1167 I HN 0.349 nan 8.210 nan 0.000 0.428 1168 D N 3.329 123.761 120.400 0.054 0.000 2.571 1168 D HA -0.049 4.590 4.640 -0.002 0.000 0.231 1168 D C 0.699 177.012 176.300 0.020 0.000 1.133 1168 D CA 1.199 55.229 54.000 0.049 0.000 0.862 1168 D CB 0.302 41.129 40.800 0.046 0.000 1.179 1168 D HN 0.332 nan 8.370 nan 0.000 0.474 1169 D N -0.209 120.192 120.400 0.001 0.000 2.978 1169 D HA -0.198 4.440 4.640 -0.002 0.000 0.205 1169 D C -0.055 176.237 176.300 -0.013 0.000 1.093 1169 D CA 1.008 54.998 54.000 -0.016 0.000 1.006 1169 D CB -0.630 40.166 40.800 -0.007 0.000 1.116 1169 D HN 0.492 nan 8.370 nan 0.000 0.419 1170 K N 0.921 121.320 120.400 -0.001 0.000 2.168 1170 K HA 0.299 4.618 4.320 -0.002 0.000 0.258 1170 K C 0.859 177.468 176.600 0.016 0.000 1.010 1170 K CA 0.071 56.365 56.287 0.011 0.000 0.929 1170 K CB 0.595 33.108 32.500 0.021 0.000 0.998 1170 K HN 0.141 nan 8.250 nan 0.000 0.479 1171 T N -1.605 112.977 114.554 0.045 0.000 2.851 1171 T HA 0.287 4.635 4.350 -0.002 0.000 0.298 1171 T C -0.054 174.706 174.700 0.100 0.000 0.977 1171 T CA -0.873 61.263 62.100 0.061 0.000 1.126 1171 T CB 0.506 69.420 68.868 0.076 0.000 0.916 1171 T HN 0.134 nan 8.240 nan 0.000 0.529 1172 V N 5.062 125.042 119.914 0.109 0.000 2.444 1172 V HA 0.351 4.470 4.120 -0.002 0.000 0.294 1172 V C 0.361 176.533 176.094 0.130 0.000 1.022 1172 V CA -1.051 61.333 62.300 0.139 0.000 0.850 1172 V CB 1.367 33.307 31.823 0.195 0.000 0.992 1172 V HN 0.891 nan 8.190 nan 0.000 0.426 1173 L N 3.719 124.997 121.223 0.092 0.000 2.456 1173 L HA 0.439 4.778 4.340 -0.002 0.000 0.272 1173 L C 1.154 178.073 176.870 0.082 0.000 1.189 1173 L CA -0.056 54.822 54.840 0.065 0.000 0.846 1173 L CB 0.673 42.741 42.059 0.015 0.000 1.111 1173 L HN 0.821 nan 8.230 nan 0.000 0.475 1174 A N 2.317 125.198 122.820 0.102 0.000 2.565 1174 A HA 0.370 4.689 4.320 -0.002 0.000 0.237 1174 A C 1.242 178.855 177.584 0.049 0.000 1.053 1174 A CA 0.690 52.776 52.037 0.082 0.000 0.755 1174 A CB -0.247 18.824 19.000 0.118 0.000 0.980 1174 A HN 1.144 nan 8.150 nan 0.000 0.506 1175 G N 1.568 110.376 108.800 0.012 0.000 2.217 1175 G HA2 -0.212 3.747 3.960 -0.002 0.000 0.246 1175 G HA3 -0.212 3.747 3.960 -0.002 0.000 0.246 1175 G C 0.613 175.530 174.900 0.029 0.000 0.990 1175 G CA 0.384 45.489 45.100 0.009 0.000 0.627 1175 G HN 1.208 nan 8.290 nan 0.000 0.522 1176 S N 1.000 116.722 115.700 0.038 0.000 2.585 1176 S HA 0.554 5.023 4.470 -0.002 0.000 0.273 1176 S C 0.533 175.116 174.600 -0.028 0.000 1.339 1176 S CA 0.507 58.738 58.200 0.052 0.000 1.028 1176 S CB 1.241 64.488 63.200 0.077 0.000 0.906 1176 S HN 0.434 nan 8.310 nan 0.000 0.528 1177 T N 3.709 118.231 114.554 -0.055 0.000 2.837 1177 T HA 0.264 4.612 4.350 -0.002 0.000 0.285 1177 T C -0.027 174.472 174.700 -0.335 0.000 0.984 1177 T CA -0.664 61.259 62.100 -0.294 0.000 1.049 1177 T CB 0.297 68.830 68.868 -0.558 0.000 0.947 1177 T HN 0.460 nan 8.240 nan 0.000 0.472 1178 N N 2.751 121.175 118.700 -0.460 0.000 2.462 1178 N HA 0.143 4.882 4.740 -0.002 0.000 0.242 1178 N C -0.962 174.174 175.510 -0.624 0.000 1.010 1178 N CA -0.197 52.545 53.050 -0.513 0.000 0.939 1178 N CB 0.894 38.900 38.487 -0.802 0.000 1.127 1178 N HN 0.590 nan 8.380 nan 0.000 0.509 1179 Y N 2.103 122.276 120.300 -0.211 0.000 2.724 1179 Y HA 0.121 4.669 4.550 -0.002 0.000 0.354 1179 Y C 0.103 175.991 175.900 -0.021 0.000 1.270 1179 Y CA -0.539 57.502 58.100 -0.098 0.000 1.902 1179 Y CB -0.713 37.721 38.460 -0.044 0.000 1.981 1179 Y HN 0.397 nan 8.280 nan 0.000 0.428 1180 Y N 0.978 121.331 120.300 0.089 0.000 2.717 1180 Y HA -0.001 4.547 4.550 -0.002 0.000 0.330 1180 Y C 0.699 176.637 175.900 0.064 0.000 1.217 1180 Y CA -0.419 57.730 58.100 0.081 0.000 1.506 1180 Y CB 0.253 38.756 38.460 0.072 0.000 1.268 1180 Y HN 0.377 nan 8.280 nan 0.000 0.561 1181 E N 3.768 124.104 120.200 0.228 0.000 2.165 1181 E HA 0.508 4.856 4.350 -0.002 0.000 0.266 1181 E C -1.541 175.093 176.600 0.058 0.000 0.889 1181 E CA -0.567 55.895 56.400 0.104 0.000 0.756 1181 E CB 0.752 30.501 29.700 0.081 0.000 1.131 1181 E HN 0.505 nan 8.360 nan 0.000 0.411 1182 L N 3.585 124.792 121.223 -0.027 0.000 2.325 1182 L HA 0.459 4.798 4.340 -0.002 0.000 0.281 1182 L C -0.037 176.755 176.870 -0.131 0.000 1.004 1182 L CA -0.990 53.811 54.840 -0.064 0.000 0.823 1182 L CB 1.506 43.456 42.059 -0.181 0.000 1.236 1182 L HN 0.506 nan 8.230 nan 0.000 0.415 1183 T N -1.790 112.769 114.554 0.009 0.000 2.799 1183 T HA 0.272 4.621 4.350 -0.002 0.000 0.286 1183 T C -0.724 174.100 174.700 0.206 0.000 0.973 1183 T CA -0.534 61.594 62.100 0.047 0.000 1.035 1183 T CB 1.441 70.350 68.868 0.068 0.000 0.932 1183 T HN 0.476 nan 8.240 nan 0.000 0.469 1184 W N 4.253 125.534 121.300 -0.031 0.000 2.283 1184 W HA 0.362 5.021 4.660 -0.002 0.000 0.317 1184 W C -0.844 175.741 176.519 0.110 0.000 1.042 1184 W CA -1.303 56.144 57.345 0.170 0.000 1.348 1184 W CB 0.451 29.945 29.460 0.057 0.000 1.216 1184 W HN 0.742 nan 8.180 nan 0.000 0.404 1185 D N 5.626 126.325 120.400 0.497 0.000 2.393 1185 D HA 0.140 4.779 4.640 -0.002 0.000 0.232 1185 D C 0.460 176.839 176.300 0.132 0.000 1.192 1185 D CA 0.182 54.299 54.000 0.195 0.000 0.882 1185 D CB 0.438 41.276 40.800 0.063 0.000 1.038 1185 D HN 0.509 nan 8.370 nan 0.000 0.499 1186 L N 2.444 123.695 121.223 0.047 0.000 2.858 1186 L HA 0.132 4.471 4.340 -0.002 0.000 0.251 1186 L C 1.300 178.126 176.870 -0.074 0.000 1.149 1186 L CA -0.111 54.751 54.840 0.037 0.000 0.955 1186 L CB 0.367 42.413 42.059 -0.020 0.000 1.289 1186 L HN 0.248 nan 8.230 nan 0.000 0.542 1187 D N -0.942 119.400 120.400 -0.095 0.000 2.392 1187 D HA -0.189 4.450 4.640 -0.002 0.000 0.228 1187 D C 1.552 177.786 176.300 -0.111 0.000 1.003 1187 D CA 0.735 54.686 54.000 -0.082 0.000 0.917 1187 D CB 0.068 40.835 40.800 -0.055 0.000 0.890 1187 D HN 0.161 nan 8.370 nan 0.000 0.532 1188 Q N -0.854 118.802 119.800 -0.239 0.000 2.247 1188 Q HA 0.067 4.406 4.340 -0.002 0.000 0.204 1188 Q C 0.144 176.038 176.000 -0.178 0.000 0.872 1188 Q CA 0.047 55.709 55.803 -0.235 0.000 0.951 1188 Q CB 0.184 28.746 28.738 -0.293 0.000 1.099 1188 Q HN 0.482 nan 8.270 nan 0.000 0.501 1189 Y N 0.666 121.003 120.300 0.061 0.000 2.485 1189 Y HA 0.112 4.660 4.550 -0.002 0.000 0.260 1189 Y C 1.625 177.551 175.900 0.042 0.000 1.173 1189 Y CA -0.227 57.934 58.100 0.101 0.000 1.252 1189 Y CB 0.319 38.899 38.460 0.201 0.000 1.123 1189 Y HN 0.068 nan 8.280 nan 0.000 0.524 1190 K N -0.857 119.612 120.400 0.116 0.000 2.574 1190 K HA -0.032 4.287 4.320 -0.002 0.000 0.193 1190 K C 0.118 176.753 176.600 0.060 0.000 1.035 1190 K CA 0.884 57.199 56.287 0.048 0.000 0.982 1190 K CB 0.053 32.553 32.500 -0.000 0.000 0.795 1190 K HN 0.179 nan 8.250 nan 0.000 0.491 1191 N N 1.627 120.383 118.700 0.095 0.000 2.205 1191 N HA -0.018 4.721 4.740 -0.002 0.000 0.201 1191 N C -0.494 175.080 175.510 0.106 0.000 1.128 1191 N CA -0.056 53.044 53.050 0.083 0.000 0.867 1191 N CB 0.236 38.764 38.487 0.068 0.000 0.996 1191 N HN 0.395 nan 8.380 nan 0.000 0.503 1192 D N 0.466 120.960 120.400 0.157 0.000 2.449 1192 D HA 0.032 4.671 4.640 -0.002 0.000 0.236 1192 D C 0.309 176.689 176.300 0.134 0.000 1.149 1192 D CA 0.392 54.475 54.000 0.138 0.000 0.878 1192 D CB 0.674 41.589 40.800 0.191 0.000 1.198 1192 D HN -0.150 nan 8.370 nan 0.000 0.446 1193 R N 1.453 121.981 120.500 0.046 0.000 2.579 1193 R HA 0.228 4.566 4.340 -0.002 0.000 0.386 1193 R C -0.913 175.370 176.300 -0.028 0.000 1.065 1193 R CA -0.352 55.774 56.100 0.043 0.000 1.143 1193 R CB 0.467 30.788 30.300 0.035 0.000 1.357 1193 R HN 0.321 nan 8.270 nan 0.000 0.644 1194 S N 0.021 115.662 115.700 -0.097 0.000 2.568 1194 S HA 0.232 4.701 4.470 -0.002 0.000 0.282 1194 S C 0.052 174.596 174.600 -0.095 0.000 1.338 1194 S CA 0.111 58.238 58.200 -0.123 0.000 1.045 1194 S CB 1.164 64.250 63.200 -0.190 0.000 0.873 1194 S HN 0.344 nan 8.310 nan 0.000 0.516 1195 S N 0.229 115.890 115.700 -0.065 0.000 3.913 1195 S HA -0.066 4.403 4.470 -0.002 0.000 0.702 1195 S C 0.776 175.352 174.600 -0.040 0.000 0.544 1195 S CA 0.157 58.331 58.200 -0.043 0.000 1.324 1195 S CB -1.389 61.782 63.200 -0.049 0.000 0.702 1195 S HN 1.062 nan 8.310 nan 0.000 0.907 1196 A N 1.756 124.554 122.820 -0.036 0.000 1.933 1196 A HA -0.091 4.227 4.320 -0.002 0.000 0.218 1196 A C 1.773 179.349 177.584 -0.014 0.000 1.175 1196 A CA 1.839 53.855 52.037 -0.034 0.000 0.628 1196 A CB -0.284 18.703 19.000 -0.021 0.000 0.814 1196 A HN 0.743 nan 8.150 nan 0.000 0.444 1197 D N -0.588 119.808 120.400 -0.007 0.000 2.178 1197 D HA -0.085 4.554 4.640 -0.002 0.000 0.202 1197 D C 1.832 178.133 176.300 0.003 0.000 0.974 1197 D CA 1.725 55.725 54.000 -0.001 0.000 0.841 1197 D CB -0.443 40.357 40.800 0.000 0.000 0.953 1197 D HN 0.395 nan 8.370 nan 0.000 0.478 1198 T N 1.301 115.862 114.554 0.011 0.000 2.770 1198 T HA -0.017 4.331 4.350 -0.002 0.000 0.263 1198 T C 2.285 177.008 174.700 0.039 0.000 1.039 1198 T CA 0.333 62.457 62.100 0.040 0.000 1.142 1198 T CB -0.106 68.802 68.868 0.067 0.000 0.868 1198 T HN 0.121 nan 8.240 nan 0.000 0.435 1199 I N 1.171 121.769 120.570 0.047 0.000 2.264 1199 I HA -0.213 3.955 4.170 -0.002 0.000 0.248 1199 I C 2.735 178.818 176.117 -0.057 0.000 1.111 1199 I CA 1.159 62.471 61.300 0.021 0.000 1.382 1199 I CB -0.325 37.660 38.000 -0.025 0.000 1.060 1199 I HN 0.174 nan 8.210 nan 0.000 0.418 1200 Q N 1.037 120.826 119.800 -0.019 0.000 2.364 1200 Q HA -0.184 4.155 4.340 -0.002 0.000 0.209 1200 Q C 1.930 177.912 176.000 -0.029 0.000 0.977 1200 Q CA 1.316 57.114 55.803 -0.008 0.000 0.885 1200 Q CB -0.048 28.694 28.738 0.007 0.000 0.941 1200 Q HN 0.239 nan 8.270 nan 0.000 0.464 1201 K N -0.654 119.711 120.400 -0.058 0.000 2.032 1201 K HA 0.012 4.331 4.320 -0.002 0.000 0.209 1201 K C 1.106 177.681 176.600 -0.043 0.000 1.048 1201 K CA 1.309 57.576 56.287 -0.035 0.000 0.927 1201 K CB -0.796 31.678 32.500 -0.043 0.000 0.712 1201 K HN 0.326 nan 8.250 nan 0.000 0.441 1202 G N -0.539 108.077 108.800 -0.307 0.000 2.343 1202 G HA2 0.031 3.989 3.960 -0.002 0.000 0.562 1202 G HA3 0.031 3.989 3.960 -0.002 0.000 0.562 1202 G C -1.448 172.907 174.900 -0.909 0.000 1.269 1202 G CA -0.901 43.925 45.100 -0.457 0.000 1.011 1202 G HN 0.023 nan 8.290 nan 0.000 0.498 1203 F N -0.009 119.690 119.950 -0.419 0.000 2.539 1203 F HA 0.741 5.266 4.527 -0.002 0.000 0.318 1203 F C -0.338 175.285 175.800 -0.295 0.000 1.135 1203 F CA -0.657 57.247 58.000 -0.161 0.000 0.915 1203 F CB 2.180 41.164 39.000 -0.026 0.000 1.176 1203 F HN 0.515 nan 8.300 nan 0.000 0.440 1204 Y N 1.549 122.051 120.300 0.336 0.000 2.499 1204 Y HA 0.552 5.101 4.550 -0.002 0.000 0.347 1204 Y C -1.185 174.593 175.900 -0.203 0.000 0.987 1204 Y CA -1.435 56.741 58.100 0.126 0.000 1.044 1204 Y CB 2.116 40.611 38.460 0.058 0.000 1.245 1204 Y HN 0.560 nan 8.280 nan 0.000 0.461 1205 Y N 1.044 121.218 120.300 -0.210 0.000 2.462 1205 Y HA 0.760 5.309 4.550 -0.002 0.000 0.346 1205 Y C -1.364 174.628 175.900 0.153 0.000 0.976 1205 Y CA -1.042 56.845 58.100 -0.355 0.000 1.044 1205 Y CB 1.610 39.609 38.460 -0.768 0.000 1.230 1205 Y HN 0.392 nan 8.280 nan 0.000 0.455 1206 V N 4.970 124.921 119.914 0.062 0.000 2.531 1206 V HA 0.290 4.409 4.120 -0.002 0.000 0.301 1206 V C -1.156 175.143 176.094 0.342 0.000 1.034 1206 V CA -0.930 61.532 62.300 0.269 0.000 0.865 1206 V CB 1.725 33.621 31.823 0.122 0.000 0.995 1206 V HN 0.730 nan 8.190 nan 0.000 0.424 1207 D N 3.104 123.798 120.400 0.491 0.000 2.381 1207 D HA 0.199 4.838 4.640 -0.002 0.000 0.235 1207 D C -1.265 175.287 176.300 0.420 0.000 1.068 1207 D CA -0.258 53.988 54.000 0.410 0.000 0.832 1207 D CB 2.026 43.097 40.800 0.451 0.000 1.101 1207 D HN 0.587 nan 8.370 nan 0.000 0.515 1208 D N 4.196 124.779 120.400 0.305 0.000 2.479 1208 D HA 0.082 4.721 4.640 -0.002 0.000 0.218 1208 D C -0.606 175.807 176.300 0.187 0.000 1.131 1208 D CA -0.361 53.786 54.000 0.245 0.000 0.916 1208 D CB -0.313 40.614 40.800 0.212 0.000 1.022 1208 D HN 0.356 nan 8.370 nan 0.000 0.515 1209 Y N 1.320 121.708 120.300 0.147 0.000 2.376 1209 Y HA 0.698 5.247 4.550 -0.002 0.000 0.325 1209 Y C -2.416 173.548 175.900 0.108 0.000 1.199 1209 Y CA -3.099 55.068 58.100 0.111 0.000 1.206 1209 Y CB 0.453 38.990 38.460 0.129 0.000 1.229 1209 Y HN 0.097 nan 8.280 nan 0.000 0.480 1210 P HA 0.039 nan 4.420 nan 0.000 0.260 1210 P C 0.174 177.516 177.300 0.070 0.000 1.651 1210 P CA -0.052 63.102 63.100 0.091 0.000 1.139 1210 P CB 0.557 32.365 31.700 0.180 0.000 1.756 1211 E N 3.031 123.175 120.200 -0.094 0.000 2.409 1211 E HA -0.178 4.170 4.350 -0.002 0.000 0.198 1211 E C 0.494 177.115 176.600 0.035 0.000 1.024 1211 E CA 1.123 57.527 56.400 0.007 0.000 0.861 1211 E CB -0.218 29.401 29.700 -0.135 0.000 0.788 1211 E HN 0.368 nan 8.360 nan 0.000 0.521 1212 E N 0.467 120.676 120.200 0.016 0.000 2.358 1212 E HA 0.053 4.402 4.350 -0.002 0.000 0.195 1212 E C 1.479 178.088 176.600 0.015 0.000 1.010 1212 E CA 1.006 57.417 56.400 0.018 0.000 0.856 1212 E CB 0.305 30.018 29.700 0.023 0.000 0.795 1212 E HN 0.458 nan 8.360 nan 0.000 0.504 1213 A N 0.226 123.048 122.820 0.003 0.000 2.070 1213 A HA 0.289 4.607 4.320 -0.002 0.000 0.202 1213 A C 0.991 178.491 177.584 -0.140 0.000 1.277 1213 A CA -0.004 51.992 52.037 -0.068 0.000 0.872 1213 A CB 0.510 19.450 19.000 -0.101 0.000 0.933 1213 A HN 0.032 nan 8.150 nan 0.000 0.475 1214 L N 0.193 121.372 121.223 -0.073 0.000 2.341 1214 L HA 0.562 4.901 4.340 -0.002 0.000 0.267 1214 L C -0.846 176.034 176.870 0.016 0.000 1.009 1214 L CA -0.648 54.145 54.840 -0.079 0.000 0.819 1214 L CB 2.110 44.131 42.059 -0.063 0.000 1.323 1214 L HN 0.185 nan 8.230 nan 0.000 0.425 1215 E N 1.681 121.847 120.200 -0.055 0.000 2.238 1215 E HA 0.507 4.856 4.350 -0.002 0.000 0.267 1215 E C -1.198 175.314 176.600 -0.146 0.000 0.887 1215 E CA -0.808 55.556 56.400 -0.060 0.000 0.769 1215 E CB 2.718 32.386 29.700 -0.053 0.000 1.187 1215 E HN 0.369 nan 8.360 nan 0.000 0.416 1216 L N 2.553 123.658 121.223 -0.197 0.000 2.426 1216 L HA 0.242 4.581 4.340 -0.002 0.000 0.271 1216 L C 0.490 177.269 176.870 -0.153 0.000 1.169 1216 L CA 0.252 54.948 54.840 -0.240 0.000 0.836 1216 L CB 0.228 42.112 42.059 -0.290 0.000 1.112 1216 L HN 0.369 nan 8.230 nan 0.000 0.465 1217 R N 3.011 123.425 120.500 -0.143 0.000 2.790 1217 R HA 0.059 4.398 4.340 -0.002 0.000 0.274 1217 R C 0.978 177.233 176.300 -0.075 0.000 1.334 1217 R CA -0.322 55.716 56.100 -0.103 0.000 1.543 1217 R CB 0.711 30.944 30.300 -0.111 0.000 1.154 1217 R HN 0.611 nan 8.270 nan 0.000 0.601 1218 Q N 1.253 121.009 119.800 -0.074 0.000 2.291 1218 Q HA -0.175 4.164 4.340 -0.002 0.000 0.205 1218 Q C 0.472 176.457 176.000 -0.025 0.000 0.970 1218 Q CA 1.519 57.287 55.803 -0.058 0.000 0.876 1218 Q CB 0.132 28.821 28.738 -0.082 0.000 0.935 1218 Q HN 0.497 nan 8.270 nan 0.000 0.455 1219 D N 0.718 121.104 120.400 -0.025 0.000 2.355 1219 D HA -0.046 4.593 4.640 -0.002 0.000 0.218 1219 D C 1.482 177.787 176.300 0.008 0.000 1.004 1219 D CA 0.147 54.142 54.000 -0.009 0.000 0.880 1219 D CB -0.126 40.665 40.800 -0.014 0.000 0.911 1219 D HN 0.326 nan 8.370 nan 0.000 0.528 1220 L N 0.633 121.863 121.223 0.012 0.000 2.728 1220 L HA 0.207 4.545 4.340 -0.002 0.000 0.238 1220 L C 0.355 177.259 176.870 0.056 0.000 1.143 1220 L CA -0.302 54.560 54.840 0.036 0.000 0.937 1220 L CB 0.922 43.004 42.059 0.039 0.000 1.225 1220 L HN -0.195 nan 8.230 nan 0.000 0.507 1221 V N 1.441 121.391 119.914 0.059 0.000 2.585 1221 V HA 0.046 4.164 4.120 -0.002 0.000 0.296 1221 V C 0.142 176.285 176.094 0.082 0.000 1.035 1221 V CA 0.372 62.730 62.300 0.097 0.000 1.084 1221 V CB 0.988 32.904 31.823 0.155 0.000 0.953 1221 V HN 0.269 nan 8.190 nan 0.000 0.483 1222 K N 5.165 125.605 120.400 0.066 0.000 2.427 1222 K HA 0.679 4.998 4.320 -0.002 0.000 0.252 1222 K C -1.301 175.302 176.600 0.005 0.000 0.931 1222 K CA -0.548 55.763 56.287 0.040 0.000 0.793 1222 K CB 2.405 34.924 32.500 0.031 0.000 1.211 1222 K HN 0.504 nan 8.250 nan 0.000 0.426 1223 I N 2.565 123.136 120.570 0.001 0.000 2.411 1223 I HA 0.287 4.456 4.170 -0.002 0.000 0.284 1223 I C -0.188 175.903 176.117 -0.043 0.000 1.012 1223 I CA -0.609 60.668 61.300 -0.039 0.000 1.119 1223 I CB 1.814 39.805 38.000 -0.015 0.000 1.261 1223 I HN 0.663 nan 8.210 nan 0.000 0.448 1224 T N 0.616 115.133 114.554 -0.061 0.000 2.916 1224 T HA 0.644 4.992 4.350 -0.002 0.000 0.292 1224 T C -0.709 173.944 174.700 -0.078 0.000 1.064 1224 T CA -0.859 61.211 62.100 -0.050 0.000 1.011 1224 T CB 2.417 71.268 68.868 -0.028 0.000 1.152 1224 T HN 0.518 nan 8.240 nan 0.000 0.510 1225 D N 0.333 120.701 120.400 -0.053 0.000 2.549 1225 D HA 0.620 5.259 4.640 -0.002 0.000 0.270 1225 D C 1.703 177.986 176.300 -0.028 0.000 1.181 1225 D CA -0.409 53.557 54.000 -0.056 0.000 1.070 1225 D CB 0.298 41.105 40.800 0.012 0.000 1.154 1225 D HN 0.661 nan 8.370 nan 0.000 0.602 1226 A N -0.208 122.599 122.820 -0.022 0.000 1.883 1226 A HA -0.192 4.127 4.320 -0.002 0.000 0.217 1226 A C 0.867 178.443 177.584 -0.013 0.000 1.186 1226 A CA 1.398 53.423 52.037 -0.019 0.000 0.624 1226 A CB -1.247 17.741 19.000 -0.020 0.000 0.822 1226 A HN 0.683 nan 8.150 nan 0.000 0.444 1227 N N -0.293 118.402 118.700 -0.008 0.000 3.229 1227 N HA 0.414 5.153 4.740 -0.002 0.000 0.275 1227 N C 1.130 176.638 175.510 -0.004 0.000 1.225 1227 N CA 0.275 53.319 53.050 -0.009 0.000 1.119 1227 N CB 0.620 39.100 38.487 -0.011 0.000 1.392 1227 N HN 0.493 nan 8.380 nan 0.000 0.520 1228 G N 2.206 111.002 108.800 -0.006 0.000 3.089 1228 G HA2 -0.499 3.460 3.960 -0.002 0.000 0.369 1228 G HA3 -0.499 3.460 3.960 -0.002 0.000 0.369 1228 G C 0.166 175.068 174.900 0.004 0.000 1.391 1228 G CA 0.497 45.594 45.100 -0.005 0.000 1.324 1228 G HN 0.708 nan 8.290 nan 0.000 0.748 1229 N N 2.304 121.009 118.700 0.009 0.000 2.750 1229 N HA -0.155 4.583 4.740 -0.002 0.000 0.307 1229 N C 0.596 176.124 175.510 0.030 0.000 1.174 1229 N CA 1.318 54.382 53.050 0.023 0.000 0.751 1229 N CB -0.289 38.221 38.487 0.038 0.000 1.005 1229 N HN 1.079 nan 8.380 nan 0.000 0.570 1230 E N 0.553 120.766 120.200 0.022 0.000 2.534 1230 E HA 0.059 4.407 4.350 -0.002 0.000 0.264 1230 E C -0.303 176.324 176.600 0.044 0.000 0.981 1230 E CA -0.236 56.177 56.400 0.022 0.000 0.948 1230 E CB 0.671 30.384 29.700 0.021 0.000 0.934 1230 E HN 0.147 nan 8.360 nan 0.000 0.459 1231 V N 3.228 123.157 119.914 0.026 0.000 2.863 1231 V HA 0.418 4.537 4.120 -0.002 0.000 0.307 1231 V C 0.427 176.574 176.094 0.088 0.000 1.061 1231 V CA 0.190 62.515 62.300 0.042 0.000 1.024 1231 V CB 1.589 33.336 31.823 -0.128 0.000 1.049 1231 V HN 1.007 nan 8.190 nan 0.000 0.471 1232 T N -1.016 113.635 114.554 0.162 0.000 2.883 1232 T HA 0.687 5.035 4.350 -0.002 0.000 0.301 1232 T C 0.438 175.257 174.700 0.199 0.000 1.158 1232 T CA 0.052 62.239 62.100 0.145 0.000 1.007 1232 T CB 1.777 70.716 68.868 0.118 0.000 1.186 1232 T HN 1.763 nan 8.240 nan 0.000 0.499 1233 G N -0.180 108.713 108.800 0.155 0.000 2.176 1233 G HA2 -0.147 3.812 3.960 -0.002 0.000 0.232 1233 G HA3 -0.147 3.812 3.960 -0.002 0.000 0.232 1233 G C -0.144 174.838 174.900 0.137 0.000 0.986 1233 G CA -0.104 45.096 45.100 0.166 0.000 0.643 1233 G HN 1.251 nan 8.290 nan 0.000 0.522 1234 V N 2.342 122.333 119.914 0.128 0.000 2.357 1234 V HA 0.693 4.811 4.120 -0.002 0.000 0.284 1234 V C 0.613 176.782 176.094 0.126 0.000 1.018 1234 V CA -0.043 62.326 62.300 0.115 0.000 0.841 1234 V CB 1.496 33.412 31.823 0.155 0.000 0.991 1234 V HN 0.923 nan 8.190 nan 0.000 0.437 1235 S N 4.389 120.149 115.700 0.099 0.000 2.565 1235 S HA 0.733 5.202 4.470 -0.002 0.000 0.290 1235 S C -0.606 174.020 174.600 0.043 0.000 1.150 1235 S CA -0.718 57.524 58.200 0.069 0.000 1.058 1235 S CB 1.984 65.207 63.200 0.038 0.000 1.032 1235 S HN 0.694 nan 8.310 nan 0.000 0.510 1236 V N 2.181 122.072 119.914 -0.038 0.000 2.370 1236 V HA 0.512 4.631 4.120 -0.002 0.000 0.283 1236 V C -1.445 174.485 176.094 -0.274 0.000 1.023 1236 V CA -0.478 61.669 62.300 -0.256 0.000 0.857 1236 V CB 1.250 32.888 31.823 -0.308 0.000 0.985 1236 V HN 1.010 nan 8.190 nan 0.000 0.443 1237 D N 5.004 125.202 120.400 -0.337 0.000 2.391 1237 D HA 0.435 5.074 4.640 -0.002 0.000 0.245 1237 D C -0.914 175.020 176.300 -0.611 0.000 1.069 1237 D CA -0.290 53.449 54.000 -0.436 0.000 0.831 1237 D CB 1.713 42.276 40.800 -0.395 0.000 1.204 1237 D HN 0.604 nan 8.370 nan 0.000 0.503 1238 N N 1.891 120.219 118.700 -0.619 0.000 2.419 1238 N HA 0.260 4.999 4.740 -0.002 0.000 0.277 1238 N C -0.977 174.125 175.510 -0.680 0.000 1.006 1238 N CA -0.266 52.487 53.050 -0.495 0.000 0.923 1238 N CB 1.210 39.535 38.487 -0.271 0.000 1.140 1238 N HN 0.282 nan 8.380 nan 0.000 0.488 1239 Y N -0.103 119.956 120.300 -0.403 0.000 2.341 1239 Y HA 0.184 4.732 4.550 -0.002 0.000 0.338 1239 Y C 1.827 177.482 175.900 -0.409 0.000 0.965 1239 Y CA -0.812 56.977 58.100 -0.519 0.000 1.108 1239 Y CB 1.555 39.453 38.460 -0.937 0.000 1.180 1239 Y HN 0.496 nan 8.280 nan 0.000 0.458 1240 T N -2.181 112.329 114.554 -0.073 0.000 2.985 1240 T HA 0.094 4.443 4.350 -0.002 0.000 0.266 1240 T C 0.510 175.186 174.700 -0.041 0.000 1.076 1240 T CA 0.899 62.968 62.100 -0.050 0.000 1.135 1240 T CB -0.113 68.742 68.868 -0.020 0.000 0.890 1240 T HN 0.548 nan 8.240 nan 0.000 0.480 1241 S N -0.701 114.986 115.700 -0.022 0.000 2.611 1241 S HA 0.536 5.005 4.470 -0.002 0.000 0.268 1241 S C 0.184 174.859 174.600 0.124 0.000 1.156 1241 S CA -0.836 57.395 58.200 0.052 0.000 0.817 1241 S CB 1.257 64.475 63.200 0.030 0.000 1.122 1241 S HN -0.019 nan 8.310 nan 0.000 0.466 1242 L N 1.544 122.888 121.223 0.202 0.000 2.083 1242 L HA 0.139 4.478 4.340 -0.002 0.000 0.209 1242 L C 2.486 179.372 176.870 0.027 0.000 1.083 1242 L CA 2.478 57.422 54.840 0.174 0.000 0.752 1242 L CB -1.010 41.078 42.059 0.048 0.000 0.899 1242 L HN 1.016 nan 8.230 nan 0.000 0.433 1243 E N -0.728 119.478 120.200 0.010 0.000 2.204 1243 E HA -0.176 4.172 4.350 -0.002 0.000 0.194 1243 E C 1.876 178.464 176.600 -0.021 0.000 0.989 1243 E CA 0.906 57.297 56.400 -0.015 0.000 0.824 1243 E CB -0.046 29.648 29.700 -0.009 0.000 0.756 1243 E HN 0.542 nan 8.360 nan 0.000 0.477 1244 A N 0.750 123.565 122.820 -0.009 0.000 2.167 1244 A HA 0.313 4.632 4.320 -0.002 0.000 0.214 1244 A C 1.121 178.694 177.584 -0.018 0.000 1.151 1244 A CA 0.598 52.641 52.037 0.011 0.000 0.735 1244 A CB -0.177 18.853 19.000 0.049 0.000 0.802 1244 A HN 0.315 nan 8.150 nan 0.000 0.467 1245 A N 1.174 123.884 122.820 -0.183 0.000 2.354 1245 A HA 0.591 4.910 4.320 -0.002 0.000 0.269 1245 A C -2.182 175.251 177.584 -0.251 0.000 1.109 1245 A CA -1.582 50.139 52.037 -0.527 0.000 0.800 1245 A CB -0.006 18.576 19.000 -0.697 0.000 1.045 1245 A HN 0.249 nan 8.150 nan 0.000 0.489 1246 P HA 0.001 nan 4.420 nan 0.000 0.271 1246 P C 0.550 177.789 177.300 -0.101 0.000 1.244 1246 P CA -0.113 62.939 63.100 -0.081 0.000 0.793 1246 P CB 0.398 32.091 31.700 -0.012 0.000 0.984 1247 Q N 0.296 120.058 119.800 -0.064 0.000 2.084 1247 Q HA -0.240 4.099 4.340 -0.002 0.000 0.202 1247 Q C 1.905 177.859 176.000 -0.078 0.000 0.978 1247 Q CA 1.460 57.223 55.803 -0.068 0.000 0.844 1247 Q CB -0.690 28.020 28.738 -0.046 0.000 0.898 1247 Q HN 0.542 nan 8.270 nan 0.000 0.426 1248 E N 0.629 120.797 120.200 -0.054 0.000 2.114 1248 E HA -0.224 4.124 4.350 -0.002 0.000 0.199 1248 E C 1.972 178.496 176.600 -0.126 0.000 1.008 1248 E CA 1.554 57.922 56.400 -0.053 0.000 0.810 1248 E CB 0.022 29.727 29.700 0.009 0.000 0.739 1248 E HN 0.473 nan 8.360 nan 0.000 0.456 1249 I N 0.787 121.270 120.570 -0.146 0.000 2.286 1249 I HA -0.172 3.997 4.170 -0.002 0.000 0.245 1249 I C 2.493 178.460 176.117 -0.250 0.000 1.104 1249 I CA 1.048 62.209 61.300 -0.232 0.000 1.397 1249 I CB -1.001 36.873 38.000 -0.208 0.000 1.072 1249 I HN 0.143 nan 8.210 nan 0.000 0.417 1250 R N 0.776 121.157 120.500 -0.199 0.000 2.096 1250 R HA -0.174 4.165 4.340 -0.002 0.000 0.235 1250 R C 1.836 178.024 176.300 -0.187 0.000 1.127 1250 R CA 1.491 57.478 56.100 -0.188 0.000 0.968 1250 R CB -0.303 29.912 30.300 -0.141 0.000 0.861 1250 R HN 0.356 nan 8.270 nan 0.000 0.440 1251 D N 0.325 120.628 120.400 -0.162 0.000 2.097 1251 D HA -0.138 4.501 4.640 -0.002 0.000 0.195 1251 D C 1.903 178.096 176.300 -0.179 0.000 0.989 1251 D CA 0.984 54.898 54.000 -0.144 0.000 0.827 1251 D CB -0.451 40.285 40.800 -0.107 0.000 0.966 1251 D HN 0.009 nan 8.370 nan 0.000 0.456 1252 V N 0.633 120.402 119.914 -0.241 0.000 2.343 1252 V HA -0.189 3.930 4.120 -0.002 0.000 0.247 1252 V C 2.344 178.258 176.094 -0.300 0.000 1.051 1252 V CA 1.257 63.377 62.300 -0.299 0.000 1.036 1252 V CB -0.321 31.178 31.823 -0.540 0.000 0.654 1252 V HN 0.143 nan 8.190 nan 0.000 0.451 1253 L N 0.583 121.606 121.223 -0.333 0.000 2.017 1253 L HA -0.138 4.201 4.340 -0.002 0.000 0.208 1253 L C 2.860 179.562 176.870 -0.280 0.000 1.073 1253 L CA 2.080 56.713 54.840 -0.345 0.000 0.745 1253 L CB -0.816 40.997 42.059 -0.409 0.000 0.894 1253 L HN 0.593 nan 8.230 nan 0.000 0.432 1254 S N -0.193 115.369 115.700 -0.230 0.000 2.382 1254 S HA -0.208 4.261 4.470 -0.002 0.000 0.228 1254 S C 1.949 176.458 174.600 -0.153 0.000 1.027 1254 S CA 1.038 59.130 58.200 -0.181 0.000 0.991 1254 S CB -0.290 62.822 63.200 -0.147 0.000 0.823 1254 S HN 0.340 nan 8.310 nan 0.000 0.469 1255 K N 1.273 121.587 120.400 -0.143 0.000 2.283 1255 K HA 0.203 4.522 4.320 -0.002 0.000 0.202 1255 K C 2.014 178.544 176.600 -0.116 0.000 1.048 1255 K CA 0.945 57.165 56.287 -0.112 0.000 0.948 1255 K CB -0.293 32.151 32.500 -0.093 0.000 0.742 1255 K HN 0.539 nan 8.250 nan 0.000 0.458 1256 A N 0.455 123.185 122.820 -0.150 0.000 2.275 1256 A HA 0.229 4.547 4.320 -0.002 0.000 0.212 1256 A C 1.111 178.591 177.584 -0.175 0.000 1.201 1256 A CA 0.503 52.447 52.037 -0.155 0.000 0.843 1256 A CB -0.189 18.708 19.000 -0.172 0.000 0.873 1256 A HN 0.323 nan 8.150 nan 0.000 0.492 1257 G N -0.256 108.440 108.800 -0.174 0.000 2.295 1257 G HA2 -0.223 3.735 3.960 -0.002 0.000 0.287 1257 G HA3 -0.223 3.735 3.960 -0.002 0.000 0.287 1257 G C -0.152 174.614 174.900 -0.224 0.000 1.055 1257 G CA 0.559 45.559 45.100 -0.167 0.000 0.922 1257 G HN 0.507 nan 8.290 nan 0.000 0.503 1258 I N -0.537 119.843 120.570 -0.317 0.000 2.436 1258 I HA 0.516 4.684 4.170 -0.002 0.000 0.289 1258 I C 0.446 176.304 176.117 -0.432 0.000 1.010 1258 I CA -0.857 60.153 61.300 -0.484 0.000 1.098 1258 I CB 2.033 39.577 38.000 -0.761 0.000 1.266 1258 I HN 0.126 nan 8.210 nan 0.000 0.434 1259 R N 7.241 127.519 120.500 -0.369 0.000 2.412 1259 R HA 0.477 4.815 4.340 -0.002 0.000 0.304 1259 R C -2.672 173.457 176.300 -0.285 0.000 1.066 1259 R CA -1.510 54.406 56.100 -0.307 0.000 0.923 1259 R CB 1.381 31.564 30.300 -0.196 0.000 1.156 1259 R HN 0.285 nan 8.270 nan 0.000 0.513 1260 P HA 0.082 nan 4.420 nan 0.000 0.271 1260 P C -1.109 176.119 177.300 -0.121 0.000 1.216 1260 P CA -0.164 62.770 63.100 -0.276 0.000 0.776 1260 P CB 0.681 32.036 31.700 -0.575 0.000 0.881 1261 K N 2.249 122.625 120.400 -0.040 0.000 2.276 1261 K HA 0.474 4.793 4.320 -0.002 0.000 0.285 1261 K C 1.079 177.681 176.600 0.003 0.000 1.062 1261 K CA -0.264 56.013 56.287 -0.017 0.000 0.918 1261 K CB 0.575 33.069 32.500 -0.009 0.000 1.055 1261 K HN 0.754 nan 8.250 nan 0.000 0.477 1262 G N 2.743 111.552 108.800 0.014 0.000 2.561 1262 G HA2 -0.342 3.616 3.960 -0.002 0.000 0.289 1262 G HA3 -0.342 3.616 3.960 -0.002 0.000 0.289 1262 G C -0.188 174.741 174.900 0.047 0.000 1.169 1262 G CA -0.082 45.019 45.100 0.002 0.000 0.980 1262 G HN 0.853 nan 8.290 nan 0.000 0.550 1263 A N -0.019 122.738 122.820 -0.104 0.000 2.279 1263 A HA 0.968 5.286 4.320 -0.002 0.000 0.303 1263 A C -0.277 177.224 177.584 -0.137 0.000 1.108 1263 A CA 0.720 52.655 52.037 -0.171 0.000 0.830 1263 A CB 0.557 19.381 19.000 -0.293 0.000 1.106 1263 A HN 2.168 nan 8.150 nan 0.000 0.493 1264 F N -1.952 117.981 119.950 -0.029 0.000 2.693 1264 F HA 0.598 5.123 4.527 -0.002 0.000 0.309 1264 F C -0.827 175.148 175.800 0.292 0.000 1.129 1264 F CA -0.985 57.092 58.000 0.128 0.000 0.948 1264 F CB 1.059 40.108 39.000 0.081 0.000 1.315 1264 F HN 0.550 nan 8.300 nan 0.000 0.447 1265 Q N 2.273 122.339 119.800 0.442 0.000 2.245 1265 Q HA 0.640 4.979 4.340 -0.002 0.000 0.256 1265 Q C -1.139 175.006 176.000 0.242 0.000 0.942 1265 Q CA -1.033 54.857 55.803 0.145 0.000 0.896 1265 Q CB 2.707 31.454 28.738 0.015 0.000 1.272 1265 Q HN 0.492 nan 8.270 nan 0.000 0.442 1266 I N 2.598 123.199 120.570 0.052 0.000 2.406 1266 I HA 0.345 4.513 4.170 -0.002 0.000 0.290 1266 I C -0.871 175.177 176.117 -0.115 0.000 0.999 1266 I CA -0.546 60.864 61.300 0.183 0.000 1.124 1266 I CB 0.947 39.178 38.000 0.385 0.000 1.289 1266 I HN 0.559 nan 8.210 nan 0.000 0.441 1267 F N 5.591 125.681 119.950 0.233 0.000 2.361 1267 F HA 0.502 5.027 4.527 -0.002 0.000 0.364 1267 F C 0.650 176.562 175.800 0.186 0.000 1.117 1267 F CA -0.613 57.496 58.000 0.181 0.000 1.071 1267 F CB 1.076 40.176 39.000 0.167 0.000 1.188 1267 F HN 0.346 nan 8.300 nan 0.000 0.464 1268 R N 2.507 123.152 120.500 0.242 0.000 2.494 1268 R HA 0.769 5.108 4.340 -0.002 0.000 0.305 1268 R C -0.783 175.486 176.300 -0.052 0.000 0.959 1268 R CA -0.858 55.289 56.100 0.078 0.000 0.864 1268 R CB 1.385 31.772 30.300 0.145 0.000 1.159 1268 R HN 0.749 nan 8.270 nan 0.000 0.446 1269 A N 3.707 126.373 122.820 -0.257 0.000 2.484 1269 A HA 0.052 4.371 4.320 -0.002 0.000 0.268 1269 A C 0.342 177.870 177.584 -0.093 0.000 1.114 1269 A CA -0.202 51.649 52.037 -0.310 0.000 0.780 1269 A CB 0.157 18.806 19.000 -0.586 0.000 1.061 1269 A HN 0.920 nan 8.150 nan 0.000 0.505 1270 D N 0.943 121.344 120.400 0.002 0.000 2.123 1270 D HA -0.102 4.536 4.640 -0.002 0.000 0.196 1270 D C 0.446 176.782 176.300 0.060 0.000 0.992 1270 D CA 1.679 55.705 54.000 0.043 0.000 0.833 1270 D CB 0.150 40.989 40.800 0.066 0.000 0.954 1270 D HN 0.608 nan 8.370 nan 0.000 0.455 1271 N N -0.906 117.852 118.700 0.098 0.000 2.549 1271 N HA 0.123 4.862 4.740 -0.002 0.000 0.281 1271 N C -2.336 173.289 175.510 0.192 0.000 1.084 1271 N CA -1.646 51.476 53.050 0.120 0.000 0.862 1271 N CB 2.298 40.853 38.487 0.113 0.000 1.333 1271 N HN -0.297 nan 8.380 nan 0.000 0.523 1272 P HA -0.131 nan 4.420 nan 0.000 0.214 1272 P C 1.324 178.864 177.300 0.400 0.000 1.163 1272 P CA 1.239 64.542 63.100 0.339 0.000 0.889 1272 P CB 0.414 32.225 31.700 0.186 0.000 0.790 1273 R N 0.875 121.526 120.500 0.252 0.000 2.094 1273 R HA -0.210 4.129 4.340 -0.002 0.000 0.239 1273 R C 2.260 178.700 176.300 0.233 0.000 1.137 1273 R CA 2.368 58.604 56.100 0.227 0.000 0.943 1273 R CB -1.472 28.908 30.300 0.135 0.000 0.850 1273 R HN 0.200 nan 8.270 nan 0.000 0.433 1274 E N -1.204 119.102 120.200 0.178 0.000 2.106 1274 E HA -0.211 4.138 4.350 -0.002 0.000 0.192 1274 E C 1.835 178.499 176.600 0.107 0.000 0.984 1274 E CA 1.229 57.699 56.400 0.116 0.000 0.806 1274 E CB -0.343 29.415 29.700 0.096 0.000 0.750 1274 E HN 0.427 nan 8.360 nan 0.000 0.458 1275 F N 0.454 120.432 119.950 0.048 0.000 2.102 1275 F HA -0.212 4.314 4.527 -0.002 0.000 0.298 1275 F C 2.121 177.824 175.800 -0.162 0.000 1.105 1275 F CA 1.806 59.799 58.000 -0.013 0.000 1.239 1275 F CB -0.609 38.376 39.000 -0.024 0.000 0.991 1275 F HN 0.145 nan 8.300 nan 0.000 0.474 1276 Y N 1.449 121.677 120.300 -0.119 0.000 2.053 1276 Y HA -0.311 4.237 4.550 -0.002 0.000 0.277 1276 Y C 2.318 178.088 175.900 -0.217 0.000 1.159 1276 Y CA 2.362 60.319 58.100 -0.239 0.000 1.125 1276 Y CB -0.853 37.655 38.460 0.080 0.000 0.969 1276 Y HN 0.069 nan 8.280 nan 0.000 0.492 1277 D N -1.065 119.289 120.400 -0.076 0.000 2.218 1277 D HA -0.128 4.511 4.640 -0.002 0.000 0.204 1277 D C 1.971 178.070 176.300 -0.334 0.000 0.976 1277 D CA 1.828 55.727 54.000 -0.168 0.000 0.853 1277 D CB -0.198 40.597 40.800 -0.008 0.000 0.939 1277 D HN 0.451 nan 8.370 nan 0.000 0.481 1278 T N -0.939 113.349 114.554 -0.443 0.000 2.953 1278 T HA -0.007 4.341 4.350 -0.002 0.000 0.247 1278 T C 1.383 175.546 174.700 -0.895 0.000 1.029 1278 T CA 0.662 62.353 62.100 -0.681 0.000 1.144 1278 T CB 0.019 68.365 68.868 -0.869 0.000 0.870 1278 T HN 0.170 nan 8.240 nan 0.000 0.446 1279 Y N -0.326 119.579 120.300 -0.660 0.000 2.638 1279 Y HA 0.368 4.917 4.550 -0.002 0.000 0.275 1279 Y C 2.221 177.727 175.900 -0.657 0.000 1.122 1279 Y CA -0.402 57.283 58.100 -0.692 0.000 1.266 1279 Y CB -0.167 37.718 38.460 -0.959 0.000 1.317 1279 Y HN -0.083 nan 8.280 nan 0.000 0.501 1280 V N 0.433 119.949 119.914 -0.664 0.000 2.239 1280 V HA -0.195 3.924 4.120 -0.002 0.000 0.242 1280 V C 2.261 178.125 176.094 -0.383 0.000 1.038 1280 V CA 1.990 63.983 62.300 -0.511 0.000 1.002 1280 V CB -0.475 30.936 31.823 -0.687 0.000 0.641 1280 V HN 0.105 nan 8.190 nan 0.000 0.449 1281 K N 1.172 121.137 120.400 -0.724 0.000 2.362 1281 K HA -0.163 4.156 4.320 -0.002 0.000 0.202 1281 K C 1.761 178.206 176.600 -0.258 0.000 1.045 1281 K CA 2.023 57.989 56.287 -0.535 0.000 0.936 1281 K CB -0.783 31.272 32.500 -0.742 0.000 0.747 1281 K HN 0.726 nan 8.250 nan 0.000 0.467 1282 T N -4.407 109.987 114.554 -0.266 0.000 3.069 1282 T HA 0.246 4.595 4.350 -0.002 0.000 0.252 1282 T C 1.138 175.763 174.700 -0.124 0.000 1.053 1282 T CA 0.181 62.172 62.100 -0.182 0.000 0.964 1282 T CB 0.075 68.812 68.868 -0.219 0.000 1.005 1282 T HN 0.229 nan 8.240 nan 0.000 0.532 1283 G N 2.124 110.862 108.800 -0.104 0.000 2.249 1283 G HA2 -0.229 3.730 3.960 -0.002 0.000 0.273 1283 G HA3 -0.229 3.730 3.960 -0.002 0.000 0.273 1283 G C -0.068 174.789 174.900 -0.073 0.000 1.036 1283 G CA 0.115 45.177 45.100 -0.063 0.000 0.824 1283 G HN 0.711 nan 8.290 nan 0.000 0.504 1284 I N 0.965 121.481 120.570 -0.090 0.000 2.312 1284 I HA 0.229 4.398 4.170 -0.002 0.000 0.291 1284 I C -0.110 175.958 176.117 -0.082 0.000 1.031 1284 I CA -0.886 60.382 61.300 -0.054 0.000 1.293 1284 I CB 0.763 38.770 38.000 0.012 0.000 1.403 1284 I HN -0.077 nan 8.210 nan 0.000 0.484 1285 D N 7.300 127.663 120.400 -0.062 0.000 2.424 1285 D HA 0.303 4.942 4.640 -0.002 0.000 0.244 1285 D C -0.022 176.227 176.300 -0.086 0.000 1.134 1285 D CA 0.179 54.147 54.000 -0.054 0.000 0.881 1285 D CB 1.137 41.929 40.800 -0.013 0.000 1.191 1285 D HN 0.304 nan 8.370 nan 0.000 0.445 1286 L N 1.759 122.925 121.223 -0.095 0.000 2.360 1286 L HA 0.439 4.778 4.340 -0.002 0.000 0.271 1286 L C 0.547 177.383 176.870 -0.056 0.000 1.057 1286 L CA -0.754 54.011 54.840 -0.125 0.000 0.803 1286 L CB 1.189 43.136 42.059 -0.187 0.000 1.207 1286 L HN 0.149 nan 8.230 nan 0.000 0.445 1287 K N 2.724 123.068 120.400 -0.093 0.000 2.426 1287 K HA 0.611 4.929 4.320 -0.002 0.000 0.254 1287 K C -1.545 174.967 176.600 -0.146 0.000 0.936 1287 K CA -0.503 55.725 56.287 -0.098 0.000 0.801 1287 K CB 1.683 34.149 32.500 -0.057 0.000 1.139 1287 K HN 0.520 nan 8.250 nan 0.000 0.424 1288 I N 4.194 124.630 120.570 -0.224 0.000 2.406 1288 I HA 0.267 4.436 4.170 -0.002 0.000 0.290 1288 I C -0.669 175.361 176.117 -0.146 0.000 0.999 1288 I CA -1.207 59.926 61.300 -0.278 0.000 1.124 1288 I CB 2.092 39.711 38.000 -0.635 0.000 1.289 1288 I HN 0.256 nan 8.210 nan 0.000 0.441 1289 V N 4.625 124.508 119.914 -0.052 0.000 2.394 1289 V HA 0.350 4.469 4.120 -0.002 0.000 0.282 1289 V C 0.137 176.274 176.094 0.072 0.000 1.031 1289 V CA -0.347 61.978 62.300 0.040 0.000 0.881 1289 V CB 1.495 33.364 31.823 0.077 0.000 0.982 1289 V HN 0.759 nan 8.190 nan 0.000 0.451 1290 S N 6.664 122.435 115.700 0.119 0.000 2.395 1290 S HA 0.493 4.962 4.470 -0.002 0.000 0.207 1290 S C -2.711 171.941 174.600 0.086 0.000 1.454 1290 S CA -1.248 57.039 58.200 0.145 0.000 1.211 1290 S CB 0.902 64.249 63.200 0.244 0.000 1.093 1290 S HN 0.542 nan 8.310 nan 0.000 0.472 1291 P HA 0.340 nan 4.420 nan 0.000 0.276 1291 P C -0.837 176.318 177.300 -0.242 0.000 1.230 1291 P CA 0.002 62.957 63.100 -0.243 0.000 0.776 1291 P CB 0.547 32.066 31.700 -0.302 0.000 0.888 1292 M N 2.067 121.472 119.600 -0.325 0.000 2.267 1292 M HA 0.304 4.783 4.480 -0.002 0.000 0.289 1292 M C -1.001 175.135 176.300 -0.272 0.000 1.043 1292 M CA -0.945 54.209 55.300 -0.243 0.000 0.928 1292 M CB 2.403 34.931 32.600 -0.119 0.000 1.613 1292 M HN -0.074 nan 8.290 nan 0.000 0.450 1293 V N 3.434 123.223 119.914 -0.208 0.000 2.509 1293 V HA 0.298 4.417 4.120 -0.002 0.000 0.284 1293 V C 0.164 176.166 176.094 -0.153 0.000 1.047 1293 V CA -0.844 61.353 62.300 -0.172 0.000 0.952 1293 V CB 1.598 33.346 31.823 -0.125 0.000 0.988 1293 V HN 0.616 nan 8.190 nan 0.000 0.469 1294 V N 5.433 125.264 119.914 -0.137 0.000 2.521 1294 V HA 0.109 4.228 4.120 -0.002 0.000 0.286 1294 V C 0.700 176.746 176.094 -0.081 0.000 1.034 1294 V CA -0.466 61.751 62.300 -0.140 0.000 1.045 1294 V CB 0.372 32.156 31.823 -0.065 0.000 0.974 1294 V HN 0.808 nan 8.190 nan 0.000 0.480 1295 K N 3.917 124.269 120.400 -0.079 0.000 2.436 1295 K HA 0.018 4.337 4.320 -0.002 0.000 0.275 1295 K C 1.323 177.903 176.600 -0.033 0.000 0.999 1295 K CA -0.082 56.175 56.287 -0.051 0.000 0.980 1295 K CB 0.686 33.162 32.500 -0.039 0.000 0.919 1295 K HN 0.636 nan 8.250 nan 0.000 0.484 1296 K N 2.757 123.127 120.400 -0.050 0.000 2.089 1296 K HA -0.352 3.966 4.320 -0.002 0.000 0.210 1296 K C 1.977 178.558 176.600 -0.032 0.000 1.048 1296 K CA 2.061 58.305 56.287 -0.071 0.000 0.926 1296 K CB 0.013 32.433 32.500 -0.134 0.000 0.714 1296 K HN 0.628 nan 8.250 nan 0.000 0.448 1297 Q N -0.275 119.510 119.800 -0.026 0.000 2.197 1297 Q HA -0.210 4.129 4.340 -0.002 0.000 0.207 1297 Q C 1.896 177.917 176.000 0.035 0.000 0.984 1297 Q CA 1.779 57.582 55.803 0.000 0.000 0.869 1297 Q CB -0.032 28.703 28.738 -0.006 0.000 0.906 1297 Q HN 0.395 nan 8.270 nan 0.000 0.426 1298 M N -0.601 119.022 119.600 0.039 0.000 2.279 1298 M HA -0.071 4.408 4.480 -0.002 0.000 0.264 1298 M C 2.086 178.446 176.300 0.099 0.000 1.062 1298 M CA 1.423 56.764 55.300 0.068 0.000 1.099 1298 M CB -1.035 31.607 32.600 0.069 0.000 1.394 1298 M HN 0.381 nan 8.290 nan 0.000 0.426 1299 G N -0.600 108.282 108.800 0.135 0.000 2.511 1299 G HA2 -0.130 3.829 3.960 -0.002 0.000 0.217 1299 G HA3 -0.130 3.829 3.960 -0.002 0.000 0.217 1299 G C 1.509 176.556 174.900 0.244 0.000 1.133 1299 G CA 0.132 45.370 45.100 0.231 0.000 0.792 1299 G HN 0.398 nan 8.290 nan 0.000 0.539 1300 Q N 0.427 120.336 119.800 0.182 0.000 2.137 1300 Q HA -0.052 4.287 4.340 -0.002 0.000 0.198 1300 Q C 2.716 178.762 176.000 0.075 0.000 0.960 1300 Q CA 1.763 57.647 55.803 0.133 0.000 0.847 1300 Q CB -0.407 28.378 28.738 0.078 0.000 0.915 1300 Q HN 0.651 nan 8.270 nan 0.000 0.448 1301 T N -3.107 111.486 114.554 0.065 0.000 3.039 1301 T HA 0.373 4.722 4.350 -0.002 0.000 0.250 1301 T C 1.009 175.738 174.700 0.047 0.000 1.052 1301 T CA 0.615 62.744 62.100 0.048 0.000 1.125 1301 T CB 0.303 69.198 68.868 0.045 0.000 0.908 1301 T HN 0.416 nan 8.240 nan 0.000 0.473 1302 G N -0.087 108.748 108.800 0.058 0.000 2.829 1302 G HA2 0.403 4.362 3.960 -0.002 0.000 0.628 1302 G HA3 0.403 4.362 3.960 -0.002 0.000 0.628 1302 G C 0.016 174.958 174.900 0.071 0.000 1.412 1302 G CA -0.603 44.532 45.100 0.058 0.000 0.864 1302 G HN 1.926 nan 8.290 nan 0.000 0.544 1303 G N -1.575 107.272 108.800 0.078 0.000 2.353 1303 G HA2 0.628 4.587 3.960 -0.002 0.000 0.308 1303 G HA3 0.628 4.587 3.960 -0.002 0.000 0.308 1303 G C -0.571 174.392 174.900 0.105 0.000 1.418 1303 G CA 0.594 45.747 45.100 0.089 0.000 0.966 1303 G HN 1.820 nan 8.290 nan 0.000 0.638 1304 S N -0.819 114.934 115.700 0.089 0.000 2.638 1304 S HA 0.933 5.402 4.470 -0.002 0.000 0.298 1304 S C -1.000 173.688 174.600 0.147 0.000 1.111 1304 S CA -0.403 57.822 58.200 0.042 0.000 1.027 1304 S CB 1.340 64.538 63.200 -0.003 0.000 1.064 1304 S HN 1.349 nan 8.310 nan 0.000 0.525 1305 Y N -0.780 119.560 120.300 0.066 0.000 2.544 1305 Y HA 0.732 5.280 4.550 -0.002 0.000 0.342 1305 Y C -0.970 174.985 175.900 0.091 0.000 1.062 1305 Y CA -1.122 57.026 58.100 0.081 0.000 1.023 1305 Y CB 0.867 39.388 38.460 0.103 0.000 1.308 1305 Y HN 0.713 nan 8.280 nan 0.000 0.457 1306 E N 1.738 122.078 120.200 0.234 0.000 2.343 1306 E HA 0.593 4.941 4.350 -0.002 0.000 0.270 1306 E C -1.910 174.786 176.600 0.159 0.000 0.895 1306 E CA -1.155 55.331 56.400 0.143 0.000 0.767 1306 E CB 2.769 32.502 29.700 0.054 0.000 1.248 1306 E HN 0.628 nan 8.360 nan 0.000 0.440 1307 N N 1.024 119.763 118.700 0.065 0.000 2.238 1307 N HA 0.257 4.996 4.740 -0.002 0.000 0.302 1307 N C -1.796 173.642 175.510 -0.120 0.000 1.072 1307 N CA -0.427 52.584 53.050 -0.065 0.000 0.792 1307 N CB 2.169 40.410 38.487 -0.410 0.000 1.425 1307 N HN 0.592 nan 8.380 nan 0.000 0.478 1308 Q N 1.802 121.535 119.800 -0.111 0.000 2.340 1308 Q HA 0.771 5.110 4.340 -0.002 0.000 0.276 1308 Q C -1.899 173.976 176.000 -0.210 0.000 1.048 1308 Q CA -0.910 54.783 55.803 -0.183 0.000 0.832 1308 Q CB 1.808 30.422 28.738 -0.206 0.000 1.373 1308 Q HN 0.705 nan 8.270 nan 0.000 0.409 1309 A N 2.212 124.835 122.820 -0.328 0.000 2.387 1309 A HA 0.904 5.223 4.320 -0.002 0.000 0.303 1309 A C -1.895 175.279 177.584 -0.682 0.000 1.145 1309 A CA -0.407 51.457 52.037 -0.289 0.000 0.801 1309 A CB 1.108 20.093 19.000 -0.025 0.000 1.342 1309 A HN 0.670 nan 8.150 nan 0.000 0.440 1310 Y N -0.640 119.379 120.300 -0.469 0.000 2.571 1310 Y HA 0.509 5.057 4.550 -0.002 0.000 0.341 1310 Y C -0.018 175.354 175.900 -0.880 0.000 1.076 1310 Y CA -0.717 57.105 58.100 -0.464 0.000 1.029 1310 Y CB 2.109 40.397 38.460 -0.288 0.000 1.308 1310 Y HN 0.826 nan 8.280 nan 0.000 0.461 1311 Q N 2.305 121.866 119.800 -0.398 0.000 2.387 1311 Q HA 0.843 5.182 4.340 -0.002 0.000 0.273 1311 Q C -1.698 174.338 176.000 0.060 0.000 1.089 1311 Q CA -0.924 54.639 55.803 -0.400 0.000 0.824 1311 Q CB 2.880 31.431 28.738 -0.311 0.000 1.367 1311 Q HN 0.748 nan 8.270 nan 0.000 0.443 1312 I N 2.460 123.119 120.570 0.148 0.000 2.503 1312 I HA 0.335 4.503 4.170 -0.002 0.000 0.282 1312 I C -1.490 174.856 176.117 0.382 0.000 1.059 1312 I CA -0.767 60.678 61.300 0.242 0.000 1.081 1312 I CB 1.738 39.816 38.000 0.129 0.000 1.210 1312 I HN 0.607 nan 8.210 nan 0.000 0.450 1313 D N 6.909 127.574 120.400 0.442 0.000 2.505 1313 D HA 0.402 5.040 4.640 -0.002 0.000 0.249 1313 D C 0.097 176.486 176.300 0.147 0.000 1.082 1313 D CA -0.372 53.812 54.000 0.307 0.000 0.839 1313 D CB 1.855 42.944 40.800 0.482 0.000 1.317 1313 D HN 0.415 nan 8.370 nan 0.000 0.497 1314 F N 1.417 121.349 119.950 -0.030 0.000 3.084 1314 F HA -0.214 4.312 4.527 -0.002 0.000 0.286 1314 F C 1.551 177.348 175.800 -0.005 0.000 0.855 1314 F CA 0.825 58.789 58.000 -0.058 0.000 1.091 1314 F CB -2.059 36.968 39.000 0.045 0.000 1.177 1314 F HN 0.759 nan 8.300 nan 0.000 0.542 1315 G N -1.249 107.610 108.800 0.098 0.000 2.225 1315 G HA2 -0.336 3.623 3.960 -0.002 0.000 0.254 1315 G HA3 -0.336 3.623 3.960 -0.002 0.000 0.254 1315 G C 0.144 175.080 174.900 0.060 0.000 0.988 1315 G CA 0.086 45.225 45.100 0.064 0.000 0.625 1315 G HN 0.505 nan 8.290 nan 0.000 0.527 1316 N N 1.640 120.424 118.700 0.141 0.000 2.422 1316 N HA 0.504 5.243 4.740 -0.002 0.000 0.264 1316 N C 0.520 176.005 175.510 -0.042 0.000 1.063 1316 N CA 0.697 53.775 53.050 0.047 0.000 0.959 1316 N CB 1.405 40.000 38.487 0.179 0.000 1.087 1316 N HN 0.514 nan 8.380 nan 0.000 0.483 1317 G N 1.381 110.052 108.800 -0.215 0.000 2.356 1317 G HA2 0.492 4.450 3.960 -0.002 0.000 0.298 1317 G HA3 0.492 4.450 3.960 -0.002 0.000 0.298 1317 G C -1.168 173.486 174.900 -0.410 0.000 1.145 1317 G CA -0.257 44.734 45.100 -0.181 0.000 0.850 1317 G HN 0.437 nan 8.290 nan 0.000 0.487 1318 Y N 0.256 120.595 120.300 0.065 0.000 2.425 1318 Y HA 0.601 5.149 4.550 -0.002 0.000 0.344 1318 Y C 0.421 176.329 175.900 0.013 0.000 0.969 1318 Y CA -0.867 57.251 58.100 0.029 0.000 1.052 1318 Y CB 2.441 40.908 38.460 0.013 0.000 1.215 1318 Y HN 0.758 nan 8.280 nan 0.000 0.451 1319 A N 1.760 124.639 122.820 0.099 0.000 2.312 1319 A HA 0.697 5.016 4.320 -0.002 0.000 0.326 1319 A C 0.034 177.509 177.584 -0.183 0.000 1.172 1319 A CA -0.523 51.440 52.037 -0.123 0.000 0.821 1319 A CB 0.638 19.601 19.000 -0.061 0.000 1.166 1319 A HN 0.766 nan 8.150 nan 0.000 0.493 1320 S N 2.373 117.875 115.700 -0.331 0.000 2.681 1320 S HA 0.348 4.816 4.470 -0.002 0.000 0.270 1320 S C 0.296 174.801 174.600 -0.159 0.000 1.209 1320 S CA -0.627 57.461 58.200 -0.188 0.000 0.988 1320 S CB 0.336 63.431 63.200 -0.176 0.000 1.006 1320 S HN 0.920 nan 8.310 nan 0.000 0.558 1321 N N 0.263 118.911 118.700 -0.087 0.000 2.371 1321 N HA 0.102 4.841 4.740 -0.002 0.000 0.243 1321 N C -0.584 174.874 175.510 -0.087 0.000 1.287 1321 N CA -0.179 52.832 53.050 -0.066 0.000 0.911 1321 N CB -0.046 38.424 38.487 -0.027 0.000 1.142 1321 N HN 0.702 nan 8.380 nan 0.000 0.451 1322 I N 0.685 121.216 120.570 -0.064 0.000 2.321 1322 I HA 0.144 4.312 4.170 -0.002 0.000 0.291 1322 I C -0.346 175.754 176.117 -0.030 0.000 0.998 1322 I CA -1.035 60.229 61.300 -0.059 0.000 1.227 1322 I CB 1.546 39.520 38.000 -0.044 0.000 1.368 1322 I HN 0.179 nan 8.210 nan 0.000 0.466 1323 V N 7.777 127.676 119.914 -0.026 0.000 2.394 1323 V HA 0.438 4.557 4.120 -0.002 0.000 0.282 1323 V C 0.155 176.265 176.094 0.026 0.000 1.031 1323 V CA -0.407 61.904 62.300 0.018 0.000 0.881 1323 V CB 1.399 33.264 31.823 0.069 0.000 0.982 1323 V HN 0.475 nan 8.190 nan 0.000 0.451 1324 I N 4.865 125.432 120.570 -0.005 0.000 2.493 1324 I HA 0.566 4.735 4.170 -0.002 0.000 0.298 1324 I C -0.229 175.801 176.117 -0.145 0.000 0.998 1324 I CA -0.363 60.896 61.300 -0.068 0.000 1.137 1324 I CB 2.035 40.003 38.000 -0.054 0.000 1.310 1324 I HN 0.643 nan 8.210 nan 0.000 0.445 1325 N N 3.275 121.752 118.700 -0.372 0.000 2.853 1325 N HA 0.468 5.207 4.740 -0.002 0.000 0.258 1325 N C -1.679 173.534 175.510 -0.495 0.000 1.444 1325 N CA -1.033 51.758 53.050 -0.432 0.000 0.837 1325 N CB 1.608 39.783 38.487 -0.519 0.000 1.489 1325 N HN 0.683 nan 8.380 nan 0.000 0.529 1326 N N -0.720 117.828 118.700 -0.252 0.000 2.357 1326 N HA 0.579 5.318 4.740 -0.002 0.000 0.284 1326 N C -1.813 173.718 175.510 0.035 0.000 1.236 1326 N CA -0.531 52.462 53.050 -0.095 0.000 0.774 1326 N CB 1.966 40.428 38.487 -0.040 0.000 1.534 1326 N HN 0.186 nan 8.380 nan 0.000 0.478 1327 V N 1.011 120.987 119.914 0.104 0.000 2.487 1327 V HA 0.468 4.586 4.120 -0.002 0.000 0.298 1327 V C -2.374 173.766 176.094 0.075 0.000 1.028 1327 V CA -1.547 60.833 62.300 0.133 0.000 0.860 1327 V CB 1.672 33.613 31.823 0.197 0.000 0.991 1327 V HN 0.662 nan 8.190 nan 0.000 0.427 1328 P HA 0.259 nan 4.420 nan 0.000 0.280 1328 P C -0.834 176.460 177.300 -0.011 0.000 1.244 1328 P CA -0.643 62.464 63.100 0.012 0.000 0.784 1328 P CB 0.648 32.342 31.700 -0.011 0.000 0.913 1329 K N 4.062 124.453 120.400 -0.016 0.000 2.349 1329 K HA 0.199 4.517 4.320 -0.002 0.000 0.289 1329 K C -0.420 176.109 176.600 -0.118 0.000 1.064 1329 K CA -0.391 55.877 56.287 -0.032 0.000 0.947 1329 K CB 0.063 32.560 32.500 -0.006 0.000 1.007 1329 K HN 0.320 nan 8.250 nan 0.000 0.478 1330 I N 4.290 124.704 120.570 -0.261 0.000 2.301 1330 I HA 0.081 4.250 4.170 -0.002 0.000 0.292 1330 I C -0.209 175.716 176.117 -0.320 0.000 1.046 1330 I CA -0.426 60.584 61.300 -0.482 0.000 1.282 1330 I CB 0.416 37.629 38.000 -1.312 0.000 1.409 1330 I HN 0.617 nan 8.210 nan 0.000 0.484 1331 N N 8.639 127.236 118.700 -0.171 0.000 2.851 1331 N HA 0.406 5.145 4.740 -0.002 0.000 0.248 1331 N C -2.701 172.786 175.510 -0.038 0.000 1.221 1331 N CA -1.629 51.376 53.050 -0.075 0.000 0.847 1331 N CB 0.995 39.464 38.487 -0.029 0.000 1.150 1331 N HN 0.197 nan 8.380 nan 0.000 0.507 1332 P HA 0.182 nan 4.420 nan 0.000 0.271 1332 P C -0.878 176.477 177.300 0.092 0.000 1.218 1332 P CA 0.110 63.223 63.100 0.022 0.000 0.780 1332 P CB 0.836 32.450 31.700 -0.144 0.000 0.901 1333 K N 1.494 122.019 120.400 0.208 0.000 2.371 1333 K HA 0.480 4.799 4.320 -0.002 0.000 0.251 1333 K C -0.573 176.175 176.600 0.248 0.000 0.934 1333 K CA -0.900 55.496 56.287 0.181 0.000 0.798 1333 K CB 2.482 35.051 32.500 0.115 0.000 1.204 1333 K HN 0.253 nan 8.250 nan 0.000 0.427 1334 K N 2.478 122.990 120.400 0.187 0.000 2.358 1334 K HA 0.256 4.574 4.320 -0.002 0.000 0.260 1334 K C -1.319 175.339 176.600 0.096 0.000 0.956 1334 K CA -0.491 55.884 56.287 0.147 0.000 0.834 1334 K CB 0.940 33.534 32.500 0.157 0.000 1.102 1334 K HN 0.462 nan 8.250 nan 0.000 0.431 1335 D N 1.647 122.100 120.400 0.089 0.000 2.467 1335 D HA 0.424 5.063 4.640 -0.002 0.000 0.245 1335 D C -0.966 175.458 176.300 0.207 0.000 1.038 1335 D CA -0.505 53.564 54.000 0.115 0.000 1.038 1335 D CB 2.018 42.869 40.800 0.085 0.000 1.278 1335 D HN 0.181 nan 8.370 nan 0.000 0.564 1336 V N 0.321 120.369 119.914 0.223 0.000 2.487 1336 V HA 0.659 4.777 4.120 -0.002 0.000 0.298 1336 V C 0.089 176.313 176.094 0.216 0.000 1.028 1336 V CA -0.700 61.781 62.300 0.302 0.000 0.860 1336 V CB 1.368 33.358 31.823 0.278 0.000 0.991 1336 V HN 0.788 nan 8.190 nan 0.000 0.427 1337 T N 1.569 116.272 114.554 0.248 0.000 2.901 1337 T HA 0.742 5.091 4.350 -0.002 0.000 0.293 1337 T C 0.054 174.864 174.700 0.183 0.000 1.084 1337 T CA -0.695 61.526 62.100 0.201 0.000 1.008 1337 T CB 1.994 71.019 68.868 0.261 0.000 1.170 1337 T HN 0.281 nan 8.240 nan 0.000 0.509 1338 L N 0.516 121.809 121.223 0.116 0.000 2.766 1338 L HA 0.362 4.701 4.340 -0.002 0.000 0.242 1338 L C 1.082 177.977 176.870 0.042 0.000 1.136 1338 L CA -0.178 54.714 54.840 0.088 0.000 0.933 1338 L CB 0.693 42.785 42.059 0.055 0.000 1.241 1338 L HN 0.961 nan 8.230 nan 0.000 0.522 1339 T N -1.589 112.982 114.554 0.029 0.000 2.903 1339 T HA 0.505 4.854 4.350 -0.002 0.000 0.299 1339 T C 0.415 175.037 174.700 -0.130 0.000 1.093 1339 T CA -0.598 61.477 62.100 -0.042 0.000 1.002 1339 T CB 1.561 70.404 68.868 -0.042 0.000 1.127 1339 T HN -0.087 nan 8.240 nan 0.000 0.488 1340 L N 1.177 122.247 121.223 -0.256 0.000 2.448 1340 L HA 0.306 4.645 4.340 -0.002 0.000 0.184 1340 L C 0.375 176.949 176.870 -0.494 0.000 1.310 1340 L CA 0.339 54.839 54.840 -0.567 0.000 2.940 1340 L CB -0.395 41.412 42.059 -0.420 0.000 2.857 1340 L HN 0.921 nan 8.230 nan 0.000 1.053 1341 D N -0.246 119.886 120.400 -0.446 0.000 3.666 1341 D HA -0.119 4.520 4.640 -0.002 0.000 0.220 1341 D C -1.812 174.309 176.300 -0.297 0.000 1.105 1341 D CA -0.073 53.720 54.000 -0.345 0.000 1.111 1341 D CB 0.145 40.831 40.800 -0.189 0.000 0.790 1341 D HN 0.106 nan 8.370 nan 0.000 0.389 1342 P HA -0.118 nan 4.420 nan 0.000 0.221 1342 P C 1.002 178.253 177.300 -0.082 0.000 1.145 1342 P CA 1.541 64.541 63.100 -0.167 0.000 0.795 1342 P CB 0.030 31.531 31.700 -0.331 0.000 0.775 1343 A N -0.743 122.011 122.820 -0.110 0.000 2.235 1343 A HA -0.063 4.255 4.320 -0.002 0.000 0.208 1343 A C 1.086 178.651 177.584 -0.032 0.000 1.172 1343 A CA 0.467 52.469 52.037 -0.059 0.000 0.786 1343 A CB -0.913 18.049 19.000 -0.062 0.000 0.804 1343 A HN 0.008 nan 8.150 nan 0.000 0.479 1344 D N 0.497 120.882 120.400 -0.026 0.000 2.494 1344 D HA 0.290 4.929 4.640 -0.002 0.000 0.217 1344 D C 0.949 177.268 176.300 0.032 0.000 1.153 1344 D CA 0.489 54.489 54.000 -0.000 0.000 0.954 1344 D CB 0.052 40.847 40.800 -0.009 0.000 1.034 1344 D HN 0.239 nan 8.370 nan 0.000 0.518 1345 T N 2.222 116.791 114.554 0.024 0.000 8.522 1345 T HA -0.396 3.953 4.350 -0.002 0.000 0.276 1345 T C 0.791 175.515 174.700 0.041 0.000 1.619 1345 T CA 1.925 64.041 62.100 0.027 0.000 1.664 1345 T CB -1.386 67.493 68.868 0.018 0.000 1.951 1345 T HN 0.600 nan 8.240 nan 0.000 0.595 1346 N N 3.447 122.171 118.700 0.040 0.000 2.151 1346 N HA 0.026 4.765 4.740 -0.002 0.000 0.265 1346 N C -0.654 174.895 175.510 0.066 0.000 1.254 1346 N CA 0.658 53.736 53.050 0.047 0.000 0.823 1346 N CB -0.006 38.506 38.487 0.042 0.000 1.061 1346 N HN 0.626 nan 8.380 nan 0.000 0.472 1347 N N 2.632 121.368 118.700 0.061 0.000 2.533 1347 N HA 0.176 4.914 4.740 -0.002 0.000 0.289 1347 N C -0.955 174.593 175.510 0.063 0.000 1.103 1347 N CA -0.569 52.525 53.050 0.074 0.000 0.877 1347 N CB 1.059 39.587 38.487 0.069 0.000 1.419 1347 N HN 0.184 nan 8.380 nan 0.000 0.517 1348 V N 1.312 121.267 119.914 0.069 0.000 3.563 1348 V HA 0.051 4.170 4.120 -0.002 0.000 0.299 1348 V C 0.602 176.726 176.094 0.051 0.000 1.290 1348 V CA -0.152 62.176 62.300 0.046 0.000 1.201 1348 V CB -1.344 30.494 31.823 0.025 0.000 1.045 1348 V HN 0.625 nan 8.190 nan 0.000 0.425 1349 D N 1.265 121.708 120.400 0.071 0.000 2.488 1349 D HA 0.287 4.926 4.640 -0.002 0.000 0.238 1349 D C 1.443 177.772 176.300 0.049 0.000 1.138 1349 D CA 1.666 55.711 54.000 0.074 0.000 0.873 1349 D CB 0.951 41.797 40.800 0.076 0.000 1.183 1349 D HN 0.323 nan 8.370 nan 0.000 0.458 1350 G N 2.973 111.801 108.800 0.046 0.000 2.267 1350 G HA2 -0.317 3.641 3.960 -0.002 0.000 0.257 1350 G HA3 -0.317 3.641 3.960 -0.002 0.000 0.257 1350 G C 0.665 175.576 174.900 0.019 0.000 0.998 1350 G CA 0.726 45.844 45.100 0.031 0.000 0.620 1350 G HN 0.601 nan 8.290 nan 0.000 0.529 1351 Q N 0.211 120.020 119.800 0.014 0.000 2.226 1351 Q HA 0.570 4.909 4.340 -0.002 0.000 0.171 1351 Q C 0.706 176.700 176.000 -0.011 0.000 1.077 1351 Q CA 0.472 56.276 55.803 0.002 0.000 1.135 1351 Q CB 0.329 29.067 28.738 0.000 0.000 1.413 1351 Q HN 0.553 nan 8.270 nan 0.000 0.589 1352 T N -1.632 112.910 114.554 -0.020 0.000 2.829 1352 T HA 0.628 4.976 4.350 -0.002 0.000 0.280 1352 T C -0.408 174.260 174.700 -0.053 0.000 0.999 1352 T CA -0.829 61.255 62.100 -0.027 0.000 0.983 1352 T CB 0.700 69.560 68.868 -0.012 0.000 0.968 1352 T HN 0.304 nan 8.240 nan 0.000 0.446 1353 I N 3.155 123.679 120.570 -0.077 0.000 2.330 1353 I HA 0.354 4.523 4.170 -0.002 0.000 0.289 1353 I C -2.637 173.445 176.117 -0.057 0.000 1.001 1353 I CA -2.930 58.293 61.300 -0.128 0.000 1.193 1353 I CB 1.004 38.819 38.000 -0.308 0.000 1.345 1353 I HN 0.388 nan 8.210 nan 0.000 0.461 1354 P HA 0.074 nan 4.420 nan 0.000 0.267 1354 P C -0.032 177.273 177.300 0.009 0.000 1.209 1354 P CA -0.474 62.623 63.100 -0.005 0.000 0.763 1354 P CB 0.539 32.238 31.700 -0.002 0.000 0.816 1355 L N 4.501 125.739 121.223 0.026 0.000 2.653 1355 L HA -0.114 4.225 4.340 -0.002 0.000 0.288 1355 L C 1.022 177.914 176.870 0.036 0.000 1.243 1355 L CA 1.218 56.081 54.840 0.039 0.000 0.906 1355 L CB -0.786 41.300 42.059 0.044 0.000 1.154 1355 L HN 0.525 nan 8.230 nan 0.000 0.498 1356 N N 0.975 119.703 118.700 0.047 0.000 2.948 1356 N HA -0.201 4.537 4.740 -0.002 0.000 0.239 1356 N C 0.249 175.792 175.510 0.055 0.000 0.954 1356 N CA 1.187 54.264 53.050 0.046 0.000 0.941 1356 N CB -1.126 37.378 38.487 0.029 0.000 1.101 1356 N HN 0.862 nan 8.380 nan 0.000 0.579 1357 T N 0.441 115.035 114.554 0.068 0.000 2.913 1357 T HA 0.403 4.751 4.350 -0.002 0.000 0.297 1357 T C 0.349 175.139 174.700 0.151 0.000 1.029 1357 T CA -0.280 61.869 62.100 0.081 0.000 1.104 1357 T CB 1.198 70.100 68.868 0.057 0.000 0.964 1357 T HN -0.010 nan 8.240 nan 0.000 0.532 1358 V N 7.240 127.215 119.914 0.102 0.000 2.406 1358 V HA 0.505 4.624 4.120 -0.002 0.000 0.272 1358 V C -0.021 176.148 176.094 0.125 0.000 1.043 1358 V CA -0.353 61.985 62.300 0.062 0.000 0.915 1358 V CB -0.558 31.256 31.823 -0.015 0.000 0.988 1358 V HN 0.804 nan 8.190 nan 0.000 0.466 1359 F N 3.666 123.552 119.950 -0.106 0.000 2.664 1359 F HA 0.712 5.238 4.527 -0.002 0.000 0.329 1359 F C -0.371 175.345 175.800 -0.139 0.000 1.090 1359 F CA -1.213 56.720 58.000 -0.112 0.000 0.978 1359 F CB 1.762 40.687 39.000 -0.125 0.000 1.378 1359 F HN 0.312 nan 8.300 nan 0.000 0.495 1360 N N 0.154 118.811 118.700 -0.071 0.000 2.269 1360 N HA 0.241 4.980 4.740 -0.002 0.000 0.304 1360 N C -2.026 173.475 175.510 -0.014 0.000 1.072 1360 N CA -0.571 52.404 53.050 -0.124 0.000 0.802 1360 N CB 1.976 40.565 38.487 0.170 0.000 1.348 1360 N HN 0.474 nan 8.380 nan 0.000 0.484 1361 Y N 0.975 121.259 120.300 -0.026 0.000 2.336 1361 Y HA 0.183 4.731 4.550 -0.002 0.000 0.335 1361 Y C 0.943 176.791 175.900 -0.087 0.000 1.046 1361 Y CA -0.449 57.658 58.100 0.012 0.000 1.198 1361 Y CB 0.526 38.964 38.460 -0.036 0.000 1.182 1361 Y HN 0.250 nan 8.280 nan 0.000 0.502 1362 R N 5.176 125.713 120.500 0.062 0.000 2.204 1362 R HA 0.419 4.757 4.340 -0.002 0.000 0.341 1362 R C -1.497 174.673 176.300 -0.217 0.000 1.035 1362 R CA -0.382 55.551 56.100 -0.277 0.000 0.887 1362 R CB -0.050 30.079 30.300 -0.285 0.000 1.114 1362 R HN 0.713 nan 8.270 nan 0.000 0.473 1363 L N 7.241 128.258 121.223 -0.344 0.000 2.272 1363 L HA 0.397 4.736 4.340 -0.002 0.000 0.284 1363 L C -0.092 176.706 176.870 -0.120 0.000 1.045 1363 L CA -0.474 54.096 54.840 -0.450 0.000 0.842 1363 L CB 0.936 42.448 42.059 -0.911 0.000 1.224 1363 L HN 0.516 nan 8.230 nan 0.000 0.430 1364 I N 2.584 123.220 120.570 0.110 0.000 2.325 1364 I HA 0.299 4.467 4.170 -0.002 0.000 0.291 1364 I C 1.134 177.493 176.117 0.405 0.000 1.019 1364 I CA -0.120 61.321 61.300 0.234 0.000 1.302 1364 I CB 1.327 39.413 38.000 0.144 0.000 1.401 1364 I HN 0.581 nan 8.210 nan 0.000 0.485 1365 G N 4.039 113.125 108.800 0.477 0.000 2.537 1365 G HA2 0.468 4.427 3.960 -0.002 0.000 0.273 1365 G HA3 0.468 4.427 3.960 -0.002 0.000 0.273 1365 G C 0.260 175.281 174.900 0.202 0.000 1.189 1365 G CA -0.477 44.840 45.100 0.362 0.000 0.881 1365 G HN 0.755 nan 8.290 nan 0.000 0.535 1366 G N -1.103 107.707 108.800 0.017 0.000 2.544 1366 G HA2 0.397 4.356 3.960 -0.002 0.000 0.242 1366 G HA3 0.397 4.356 3.960 -0.002 0.000 0.242 1366 G C -0.007 174.938 174.900 0.076 0.000 1.247 1366 G CA -0.597 44.473 45.100 -0.049 0.000 0.840 1366 G HN 0.599 nan 8.290 nan 0.000 0.578 1367 I N 1.247 121.828 120.570 0.019 0.000 2.352 1367 I HA 0.178 4.346 4.170 -0.002 0.000 0.290 1367 I C 0.119 176.249 176.117 0.021 0.000 1.036 1367 I CA -0.088 61.239 61.300 0.045 0.000 1.336 1367 I CB 1.089 39.102 38.000 0.022 0.000 1.407 1367 I HN 0.171 nan 8.210 nan 0.000 0.497 1368 I N 9.257 129.863 120.570 0.061 0.000 2.306 1368 I HA 0.270 4.438 4.170 -0.002 0.000 0.288 1368 I C -1.999 174.124 176.117 0.010 0.000 1.036 1368 I CA -1.883 59.403 61.300 -0.023 0.000 1.221 1368 I CB 0.944 38.898 38.000 -0.077 0.000 1.385 1368 I HN 0.271 nan 8.210 nan 0.000 0.472 1369 P HA 0.147 nan 4.420 nan 0.000 0.274 1369 P C -0.202 177.207 177.300 0.181 0.000 1.246 1369 P CA -0.331 62.817 63.100 0.080 0.000 0.795 1369 P CB 0.865 32.600 31.700 0.059 0.000 1.006 1370 A N 1.640 124.543 122.820 0.139 0.000 2.455 1370 A HA 0.036 4.355 4.320 -0.002 0.000 0.244 1370 A C 0.971 178.618 177.584 0.106 0.000 1.099 1370 A CA 0.611 52.726 52.037 0.130 0.000 0.786 1370 A CB -1.299 17.738 19.000 0.061 0.000 1.051 1370 A HN 0.752 nan 8.150 nan 0.000 0.508 1371 N N -0.647 118.059 118.700 0.010 0.000 2.725 1371 N HA -0.176 4.563 4.740 -0.002 0.000 0.251 1371 N C 0.129 175.641 175.510 0.004 0.000 1.031 1371 N CA 1.382 54.414 53.050 -0.031 0.000 0.720 1371 N CB -1.585 36.901 38.487 -0.001 0.000 0.930 1371 N HN 0.979 nan 8.380 nan 0.000 0.543 1372 H N -2.364 116.709 119.070 0.005 0.000 2.500 1372 H HA 0.526 5.080 4.556 -0.002 0.000 0.351 1372 H C 1.196 176.531 175.328 0.011 0.000 1.281 1372 H CA 0.003 56.057 56.048 0.009 0.000 1.368 1372 H CB 0.759 30.526 29.762 0.007 0.000 1.616 1372 H HN 0.201 nan 8.280 nan 0.000 0.591 1373 S N -1.103 114.691 115.700 0.157 0.000 2.502 1373 S HA 0.112 4.581 4.470 -0.002 0.000 0.215 1373 S C 0.376 175.030 174.600 0.089 0.000 1.009 1373 S CA -0.059 58.189 58.200 0.080 0.000 0.908 1373 S CB 0.225 63.483 63.200 0.097 0.000 0.801 1373 S HN 0.692 nan 8.310 nan 0.000 0.505 1374 E N 0.262 120.567 120.200 0.175 0.000 2.433 1374 E HA 0.427 4.775 4.350 -0.002 0.000 0.273 1374 E C -1.497 175.211 176.600 0.181 0.000 0.950 1374 E CA -0.767 55.725 56.400 0.154 0.000 0.796 1374 E CB 1.814 31.612 29.700 0.163 0.000 1.330 1374 E HN 0.296 nan 8.360 nan 0.000 0.455 1375 E N 0.947 121.224 120.200 0.128 0.000 2.392 1375 E HA 0.126 4.474 4.350 -0.002 0.000 0.264 1375 E C -0.537 176.121 176.600 0.097 0.000 1.024 1375 E CA -0.044 56.417 56.400 0.102 0.000 0.903 1375 E CB 0.636 30.384 29.700 0.079 0.000 0.963 1375 E HN 0.295 nan 8.360 nan 0.000 0.432 1376 L N 4.611 125.814 121.223 -0.033 0.000 2.360 1376 L HA 0.083 4.422 4.340 -0.002 0.000 0.276 1376 L C 0.520 177.352 176.870 -0.063 0.000 1.121 1376 L CA 0.101 54.828 54.840 -0.188 0.000 0.845 1376 L CB 0.074 41.883 42.059 -0.418 0.000 1.143 1376 L HN 0.700 nan 8.230 nan 0.000 0.452 1377 F N 0.146 120.062 119.950 -0.057 0.000 2.784 1377 F HA 0.421 4.947 4.527 -0.002 0.000 0.323 1377 F C 0.330 176.150 175.800 0.033 0.000 1.085 1377 F CA -0.601 57.390 58.000 -0.015 0.000 1.196 1377 F CB 0.371 39.371 39.000 0.000 0.000 1.053 1377 F HN 0.398 nan 8.300 nan 0.000 0.578 1378 E N 0.063 120.078 120.200 -0.309 0.000 2.321 1378 E HA 0.362 4.711 4.350 -0.002 0.000 0.278 1378 E C -2.206 174.379 176.600 -0.024 0.000 0.902 1378 E CA -0.775 55.579 56.400 -0.076 0.000 0.758 1378 E CB 2.278 31.922 29.700 -0.092 0.000 1.213 1378 E HN 0.247 nan 8.360 nan 0.000 0.426 1379 Y N 4.127 124.427 120.300 -0.000 0.000 2.301 1379 Y HA 0.366 4.915 4.550 -0.002 0.000 0.334 1379 Y C -1.718 174.268 175.900 0.143 0.000 1.158 1379 Y CA -0.716 57.390 58.100 0.010 0.000 1.266 1379 Y CB 0.747 39.196 38.460 -0.019 0.000 1.153 1379 Y HN 0.499 nan 8.280 nan 0.000 0.453 1380 N N 4.374 123.073 118.700 -0.001 0.000 2.384 1380 N HA 0.514 5.253 4.740 -0.002 0.000 0.301 1380 N C -1.651 173.832 175.510 -0.045 0.000 1.133 1380 N CA -0.503 52.615 53.050 0.113 0.000 0.853 1380 N CB 1.473 40.035 38.487 0.123 0.000 1.241 1380 N HN 0.416 nan 8.380 nan 0.000 0.502 1381 F N 1.275 121.360 119.950 0.224 0.000 2.434 1381 F HA 0.268 4.794 4.527 -0.002 0.000 0.355 1381 F C -0.473 175.480 175.800 0.255 0.000 1.115 1381 F CA -1.040 57.136 58.000 0.293 0.000 1.010 1381 F CB 0.871 39.897 39.000 0.045 0.000 1.234 1381 F HN 0.361 nan 8.300 nan 0.000 0.439 1382 Y N 3.699 124.205 120.300 0.342 0.000 2.335 1382 Y HA 0.468 5.016 4.550 -0.002 0.000 0.339 1382 Y C -1.011 175.020 175.900 0.219 0.000 0.987 1382 Y CA -0.860 57.352 58.100 0.186 0.000 1.140 1382 Y CB 0.952 39.467 38.460 0.092 0.000 1.173 1382 Y HN 0.499 nan 8.280 nan 0.000 0.486 1383 D N 5.356 125.488 120.400 -0.445 0.000 2.476 1383 D HA 0.096 4.735 4.640 -0.002 0.000 0.251 1383 D C -1.755 174.282 176.300 -0.438 0.000 1.291 1383 D CA -0.380 53.431 54.000 -0.315 0.000 0.939 1383 D CB 1.014 41.778 40.800 -0.060 0.000 1.221 1383 D HN 0.667 nan 8.370 nan 0.000 0.567 1384 D N 4.050 124.138 120.400 -0.520 0.000 2.479 1384 D HA 0.092 4.731 4.640 -0.002 0.000 0.218 1384 D C -0.238 175.956 176.300 -0.176 0.000 1.131 1384 D CA -0.286 53.494 54.000 -0.367 0.000 0.916 1384 D CB -0.270 40.389 40.800 -0.235 0.000 1.022 1384 D HN 0.363 nan 8.370 nan 0.000 0.515 1385 Y N 0.272 120.520 120.300 -0.087 0.000 2.340 1385 Y HA 0.451 4.999 4.550 -0.002 0.000 0.327 1385 Y C 0.428 176.358 175.900 0.051 0.000 1.321 1385 Y CA -1.237 56.867 58.100 0.007 0.000 1.433 1385 Y CB 0.366 38.872 38.460 0.077 0.000 1.373 1385 Y HN 0.012 nan 8.280 nan 0.000 0.538 1386 D N 1.464 122.007 120.400 0.239 0.000 2.441 1386 D HA 0.016 4.655 4.640 -0.002 0.000 0.221 1386 D C 0.699 177.100 176.300 0.169 0.000 1.156 1386 D CA -0.454 53.644 54.000 0.163 0.000 0.896 1386 D CB 0.774 41.740 40.800 0.277 0.000 1.028 1386 D HN 0.725 nan 8.370 nan 0.000 0.509 1387 Q N 2.135 121.976 119.800 0.069 0.000 2.437 1387 Q HA -0.096 4.243 4.340 -0.002 0.000 0.210 1387 Q C 0.930 176.979 176.000 0.082 0.000 0.972 1387 Q CA 0.738 56.626 55.803 0.142 0.000 0.903 1387 Q CB -0.529 28.260 28.738 0.085 0.000 0.967 1387 Q HN 0.286 nan 8.270 nan 0.000 0.486 1388 T N 0.633 115.228 114.554 0.070 0.000 2.759 1388 T HA -0.085 4.264 4.350 -0.002 0.000 0.269 1388 T C 1.551 176.179 174.700 -0.120 0.000 1.042 1388 T CA 1.784 63.936 62.100 0.087 0.000 1.140 1388 T CB -0.188 68.843 68.868 0.271 0.000 0.864 1388 T HN 0.684 nan 8.240 nan 0.000 0.455 1389 G N -0.121 108.333 108.800 -0.578 0.000 2.780 1389 G HA2 0.134 4.093 3.960 -0.002 0.000 0.198 1389 G HA3 0.134 4.093 3.960 -0.002 0.000 0.198 1389 G C -0.280 174.308 174.900 -0.520 0.000 1.067 1389 G CA -0.263 44.007 45.100 -1.384 0.000 0.765 1389 G HN 0.293 nan 8.290 nan 0.000 0.581 1390 D N 0.363 120.661 120.400 -0.171 0.000 2.256 1390 D HA 0.415 5.054 4.640 -0.002 0.000 0.240 1390 D C -1.160 175.238 176.300 0.164 0.000 1.062 1390 D CA -0.318 53.722 54.000 0.068 0.000 0.832 1390 D CB 1.793 42.721 40.800 0.213 0.000 1.135 1390 D HN 0.314 nan 8.370 nan 0.000 0.484 1391 H N 1.685 120.742 119.070 -0.021 0.000 2.511 1391 H HA 0.244 4.798 4.556 -0.002 0.000 0.328 1391 H C -1.287 173.977 175.328 -0.106 0.000 1.044 1391 H CA -0.822 55.231 56.048 0.008 0.000 1.212 1391 H CB 0.411 30.171 29.762 -0.003 0.000 1.428 1391 H HN 0.283 nan 8.280 nan 0.000 0.483 1392 Y N 4.303 124.181 120.300 -0.703 0.000 2.442 1392 Y HA 0.136 4.685 4.550 -0.002 0.000 0.330 1392 Y C 1.253 176.647 175.900 -0.844 0.000 1.129 1392 Y CA 0.548 58.207 58.100 -0.734 0.000 1.365 1392 Y CB 1.039 39.151 38.460 -0.580 0.000 1.233 1392 Y HN 0.846 nan 8.280 nan 0.000 0.529 1393 T N 1.102 115.004 114.554 -1.086 0.000 3.081 1393 T HA 0.262 4.611 4.350 -0.002 0.000 0.250 1393 T C 1.280 175.469 174.700 -0.852 0.000 1.100 1393 T CA 0.425 62.031 62.100 -0.823 0.000 1.038 1393 T CB -0.512 68.085 68.868 -0.452 0.000 0.962 1393 T HN 1.466 nan 8.240 nan 0.000 0.516 1394 G N 0.778 108.600 108.800 -1.631 0.000 2.157 1394 G HA2 -0.170 3.789 3.960 -0.002 0.000 0.239 1394 G HA3 -0.170 3.789 3.960 -0.002 0.000 0.239 1394 G C -0.236 174.439 174.900 -0.375 0.000 0.982 1394 G CA -0.197 44.362 45.100 -0.903 0.000 0.650 1394 G HN 0.631 nan 8.290 nan 0.000 0.527 1395 Q N -0.470 119.110 119.800 -0.366 0.000 2.333 1395 Q HA 0.676 5.014 4.340 -0.002 0.000 0.267 1395 Q C -0.517 175.587 176.000 0.173 0.000 1.012 1395 Q CA -0.677 55.078 55.803 -0.079 0.000 0.824 1395 Q CB 1.971 30.620 28.738 -0.148 0.000 1.290 1395 Q HN 0.917 nan 8.270 nan 0.000 0.449 1396 Y N -1.189 119.120 120.300 0.015 0.000 2.609 1396 Y HA 0.722 5.270 4.550 -0.002 0.000 0.336 1396 Y C -1.508 174.340 175.900 -0.086 0.000 1.129 1396 Y CA -1.029 57.070 58.100 -0.003 0.000 1.040 1396 Y CB 1.691 40.144 38.460 -0.012 0.000 1.310 1396 Y HN 0.360 nan 8.280 nan 0.000 0.460 1397 K N 2.002 122.339 120.400 -0.104 0.000 2.477 1397 K HA 0.788 5.107 4.320 -0.002 0.000 0.255 1397 K C -1.847 174.615 176.600 -0.231 0.000 0.952 1397 K CA -1.188 54.892 56.287 -0.345 0.000 0.826 1397 K CB 3.180 35.471 32.500 -0.348 0.000 1.331 1397 K HN 0.549 nan 8.250 nan 0.000 0.437 1398 V N 2.449 122.074 119.914 -0.482 0.000 2.604 1398 V HA 0.566 4.684 4.120 -0.002 0.000 0.305 1398 V C -1.246 174.511 176.094 -0.562 0.000 1.043 1398 V CA -0.797 61.293 62.300 -0.350 0.000 0.888 1398 V CB 1.151 32.830 31.823 -0.240 0.000 0.995 1398 V HN 0.556 nan 8.190 nan 0.000 0.429 1399 F N 1.615 121.636 119.950 0.118 0.000 2.551 1399 F HA 0.778 5.304 4.527 -0.002 0.000 0.316 1399 F C 0.567 176.437 175.800 0.116 0.000 1.089 1399 F CA -0.832 57.240 58.000 0.120 0.000 0.915 1399 F CB 1.740 40.817 39.000 0.127 0.000 1.186 1399 F HN 0.579 nan 8.300 nan 0.000 0.456 1400 A N 2.171 125.144 122.820 0.256 0.000 2.462 1400 A HA 0.304 4.623 4.320 -0.002 0.000 0.243 1400 A C 0.784 178.423 177.584 0.092 0.000 1.076 1400 A CA -0.132 51.959 52.037 0.090 0.000 0.773 1400 A CB 0.394 19.430 19.000 0.059 0.000 1.010 1400 A HN 0.970 nan 8.150 nan 0.000 0.493 1401 K N 0.675 121.078 120.400 0.005 0.000 2.402 1401 K HA 0.316 4.635 4.320 -0.002 0.000 0.204 1401 K C -0.221 176.376 176.600 -0.004 0.000 1.056 1401 K CA 0.544 56.849 56.287 0.030 0.000 1.069 1401 K CB 0.444 32.979 32.500 0.058 0.000 0.888 1401 K HN 0.766 nan 8.250 nan 0.000 0.546 1402 V N -2.101 117.784 119.914 -0.048 0.000 3.130 1402 V HA 0.466 4.585 4.120 -0.002 0.000 0.310 1402 V C -1.126 174.952 176.094 -0.027 0.000 1.158 1402 V CA -1.336 60.946 62.300 -0.031 0.000 1.029 1402 V CB 1.668 33.471 31.823 -0.035 0.000 1.057 1402 V HN -0.148 nan 8.190 nan 0.000 0.436 1403 D N 1.595 121.994 120.400 -0.001 0.000 2.455 1403 D HA 0.512 5.151 4.640 -0.002 0.000 0.241 1403 D C -0.325 175.981 176.300 0.010 0.000 1.138 1403 D CA 0.831 54.839 54.000 0.013 0.000 0.877 1403 D CB 0.875 41.688 40.800 0.021 0.000 1.187 1403 D HN 0.601 nan 8.370 nan 0.000 0.451 1404 I N 2.488 123.073 120.570 0.025 0.000 2.569 1404 I HA 0.394 4.563 4.170 -0.002 0.000 0.296 1404 I C -0.099 176.044 176.117 0.042 0.000 1.028 1404 I CA -0.775 60.550 61.300 0.041 0.000 1.082 1404 I CB 1.825 39.859 38.000 0.056 0.000 1.264 1404 I HN 0.063 nan 8.210 nan 0.000 0.429 1405 I N 5.847 126.435 120.570 0.030 0.000 2.509 1405 I HA 0.425 4.594 4.170 -0.002 0.000 0.293 1405 I C -0.417 175.686 176.117 -0.024 0.000 1.020 1405 I CA -0.702 60.603 61.300 0.009 0.000 1.088 1405 I CB 1.921 39.924 38.000 0.005 0.000 1.267 1405 I HN 0.300 nan 8.210 nan 0.000 0.430 1406 L N 4.750 125.953 121.223 -0.034 0.000 2.431 1406 L HA 0.378 4.716 4.340 -0.002 0.000 0.260 1406 L C 1.433 178.268 176.870 -0.058 0.000 1.098 1406 L CA -0.709 54.086 54.840 -0.075 0.000 0.800 1406 L CB 0.827 42.845 42.059 -0.068 0.000 1.210 1406 L HN 0.598 nan 8.230 nan 0.000 0.465 1407 K N 0.869 121.226 120.400 -0.073 0.000 2.152 1407 K HA -0.177 4.142 4.320 -0.002 0.000 0.206 1407 K C 1.249 177.830 176.600 -0.032 0.000 1.048 1407 K CA 1.710 57.965 56.287 -0.054 0.000 0.933 1407 K CB -0.151 32.314 32.500 -0.057 0.000 0.721 1407 K HN 0.621 nan 8.250 nan 0.000 0.447 1408 N N -0.687 117.999 118.700 -0.023 0.000 2.383 1408 N HA 0.019 4.758 4.740 -0.002 0.000 0.192 1408 N C 0.919 176.428 175.510 -0.001 0.000 1.141 1408 N CA 0.871 53.917 53.050 -0.007 0.000 0.851 1408 N CB 0.636 39.126 38.487 0.004 0.000 0.976 1408 N HN 0.229 nan 8.380 nan 0.000 0.465 1409 G N -0.870 107.927 108.800 -0.005 0.000 2.217 1409 G HA2 -0.288 3.671 3.960 -0.002 0.000 0.246 1409 G HA3 -0.288 3.671 3.960 -0.002 0.000 0.246 1409 G C -0.119 174.789 174.900 0.013 0.000 0.990 1409 G CA 0.176 45.277 45.100 0.002 0.000 0.627 1409 G HN 0.329 nan 8.290 nan 0.000 0.522 1410 V N 1.885 121.811 119.914 0.020 0.000 2.694 1410 V HA 0.286 4.405 4.120 -0.002 0.000 0.306 1410 V C 1.047 177.165 176.094 0.040 0.000 1.054 1410 V CA 0.795 63.118 62.300 0.038 0.000 1.161 1410 V CB 0.947 32.803 31.823 0.056 0.000 0.916 1410 V HN 0.356 nan 8.190 nan 0.000 0.490 1411 I N 5.807 126.406 120.570 0.049 0.000 2.412 1411 I HA 0.493 4.661 4.170 -0.002 0.000 0.296 1411 I C -0.258 175.904 176.117 0.075 0.000 0.987 1411 I CA -0.342 60.989 61.300 0.051 0.000 1.180 1411 I CB 1.704 39.729 38.000 0.041 0.000 1.340 1411 I HN 0.408 nan 8.210 nan 0.000 0.455 1412 I N 5.982 126.603 120.570 0.085 0.000 2.389 1412 I HA 0.302 4.471 4.170 -0.002 0.000 0.288 1412 I C -0.212 175.956 176.117 0.084 0.000 0.999 1412 I CA -1.010 60.357 61.300 0.111 0.000 1.129 1412 I CB 1.225 39.327 38.000 0.170 0.000 1.288 1412 I HN 0.380 nan 8.210 nan 0.000 0.444 1413 K N 3.577 124.024 120.400 0.078 0.000 2.295 1413 K HA 0.190 4.509 4.320 -0.002 0.000 0.270 1413 K C 0.242 176.881 176.600 0.065 0.000 1.011 1413 K CA -0.174 56.149 56.287 0.060 0.000 0.953 1413 K CB 1.242 33.774 32.500 0.053 0.000 0.956 1413 K HN 0.581 nan 8.250 nan 0.000 0.477 1414 S N 0.391 116.118 115.700 0.045 0.000 2.573 1414 S HA 0.163 4.632 4.470 -0.002 0.000 0.297 1414 S C 1.268 175.906 174.600 0.063 0.000 1.280 1414 S CA 1.480 59.707 58.200 0.045 0.000 1.061 1414 S CB -0.267 62.949 63.200 0.027 0.000 0.812 1414 S HN 0.783 nan 8.310 nan 0.000 0.500 1415 G N 3.259 112.115 108.800 0.094 0.000 2.284 1415 G HA2 -0.238 3.720 3.960 -0.002 0.000 0.230 1415 G HA3 -0.238 3.720 3.960 -0.002 0.000 0.230 1415 G C 0.326 175.351 174.900 0.208 0.000 1.021 1415 G CA 0.139 45.296 45.100 0.096 0.000 0.619 1415 G HN 1.000 nan 8.290 nan 0.000 0.510 1416 T N 1.677 116.343 114.554 0.187 0.000 2.946 1416 T HA 0.349 4.697 4.350 -0.002 0.000 0.311 1416 T C 0.378 175.243 174.700 0.274 0.000 1.063 1416 T CA 0.738 62.959 62.100 0.202 0.000 1.139 1416 T CB 1.388 70.348 68.868 0.154 0.000 0.994 1416 T HN 0.488 nan 8.240 nan 0.000 0.547 1417 E N 2.172 122.490 120.200 0.196 0.000 2.257 1417 E HA 0.135 4.484 4.350 -0.002 0.000 0.278 1417 E C 0.190 176.737 176.600 -0.088 0.000 1.049 1417 E CA -0.289 56.070 56.400 -0.069 0.000 0.876 1417 E CB 0.268 29.862 29.700 -0.177 0.000 1.035 1417 E HN 0.571 nan 8.360 nan 0.000 0.419 1418 L N 4.080 125.233 121.223 -0.116 0.000 2.700 1418 L HA 0.080 4.419 4.340 -0.002 0.000 0.234 1418 L C 1.670 178.442 176.870 -0.163 0.000 1.156 1418 L CA -0.071 54.781 54.840 0.020 0.000 0.946 1418 L CB 0.187 42.410 42.059 0.273 0.000 1.216 1418 L HN 0.591 nan 8.230 nan 0.000 0.493 1419 T N 0.353 114.720 114.554 -0.312 0.000 2.737 1419 T HA -0.277 4.072 4.350 -0.002 0.000 0.269 1419 T C 1.832 176.338 174.700 -0.324 0.000 1.040 1419 T CA 2.039 63.926 62.100 -0.354 0.000 1.142 1419 T CB -0.177 68.417 68.868 -0.456 0.000 0.861 1419 T HN 0.595 nan 8.240 nan 0.000 0.456 1420 Q N 0.044 119.610 119.800 -0.390 0.000 2.364 1420 Q HA -0.123 4.216 4.340 -0.002 0.000 0.209 1420 Q C 0.868 176.582 176.000 -0.475 0.000 0.977 1420 Q CA 1.406 56.938 55.803 -0.452 0.000 0.885 1420 Q CB -0.541 27.846 28.738 -0.585 0.000 0.941 1420 Q HN 0.555 nan 8.270 nan 0.000 0.464 1421 Y N 1.578 121.733 120.300 -0.241 0.000 2.532 1421 Y HA 0.240 4.789 4.550 -0.002 0.000 0.283 1421 Y C 0.365 176.169 175.900 -0.160 0.000 1.181 1421 Y CA 0.126 58.082 58.100 -0.241 0.000 1.256 1421 Y CB 0.436 38.486 38.460 -0.683 0.000 1.112 1421 Y HN 0.210 nan 8.280 nan 0.000 0.521 1422 T N -2.893 111.606 114.554 -0.093 0.000 2.883 1422 T HA 0.748 5.097 4.350 -0.002 0.000 0.296 1422 T C -0.099 174.625 174.700 0.040 0.000 1.117 1422 T CA -0.616 61.434 62.100 -0.082 0.000 1.006 1422 T CB 2.545 71.280 68.868 -0.223 0.000 1.191 1422 T HN 0.026 nan 8.240 nan 0.000 0.508 1423 T N -1.616 112.978 114.554 0.066 0.000 2.887 1423 T HA 0.841 5.190 4.350 -0.002 0.000 0.292 1423 T C -0.709 174.008 174.700 0.028 0.000 1.087 1423 T CA -0.905 61.251 62.100 0.094 0.000 1.009 1423 T CB 1.530 70.444 68.868 0.077 0.000 1.203 1423 T HN 1.362 nan 8.240 nan 0.000 0.518 1424 A N 0.933 123.762 122.820 0.014 0.000 2.343 1424 A HA 0.701 5.019 4.320 -0.002 0.000 0.308 1424 A C -0.513 177.062 177.584 -0.014 0.000 1.092 1424 A CA -0.768 51.199 52.037 -0.118 0.000 0.751 1424 A CB 1.205 20.031 19.000 -0.289 0.000 1.203 1424 A HN 0.963 nan 8.150 nan 0.000 0.452 1425 E N 2.441 122.639 120.200 -0.004 0.000 2.089 1425 E HA 0.484 4.833 4.350 -0.002 0.000 0.284 1425 E C -1.204 175.417 176.600 0.036 0.000 1.023 1425 E CA -0.239 56.184 56.400 0.038 0.000 0.819 1425 E CB 0.945 30.681 29.700 0.061 0.000 1.076 1425 E HN 0.356 nan 8.360 nan 0.000 0.396 1426 V N 4.903 124.850 119.914 0.056 0.000 2.394 1426 V HA 0.218 4.337 4.120 -0.002 0.000 0.282 1426 V C -0.391 175.753 176.094 0.083 0.000 1.031 1426 V CA -0.624 61.721 62.300 0.075 0.000 0.881 1426 V CB 1.615 33.517 31.823 0.131 0.000 0.982 1426 V HN 0.722 nan 8.190 nan 0.000 0.451 1427 D N 3.120 123.568 120.400 0.080 0.000 2.464 1427 D HA 0.199 4.837 4.640 -0.002 0.000 0.243 1427 D C 0.846 177.185 176.300 0.064 0.000 1.104 1427 D CA -0.110 53.931 54.000 0.067 0.000 0.883 1427 D CB 2.032 42.870 40.800 0.062 0.000 1.050 1427 D HN 0.552 nan 8.370 nan 0.000 0.524 1428 T N 1.517 116.120 114.554 0.083 0.000 2.896 1428 T HA -0.080 4.268 4.350 -0.002 0.000 0.263 1428 T C 1.547 176.287 174.700 0.067 0.000 1.050 1428 T CA 1.684 63.848 62.100 0.107 0.000 1.140 1428 T CB 0.285 69.222 68.868 0.116 0.000 0.877 1428 T HN 0.347 nan 8.240 nan 0.000 0.457 1429 T N 1.386 115.966 114.554 0.045 0.000 2.701 1429 T HA -0.020 4.329 4.350 -0.002 0.000 0.263 1429 T C 1.953 176.654 174.700 0.001 0.000 1.040 1429 T CA 1.244 63.360 62.100 0.027 0.000 1.147 1429 T CB -0.219 68.665 68.868 0.026 0.000 0.865 1429 T HN 0.360 nan 8.240 nan 0.000 0.426 1430 K N 0.651 121.047 120.400 -0.008 0.000 2.288 1430 K HA 0.037 4.356 4.320 -0.002 0.000 0.201 1430 K C 0.974 177.499 176.600 -0.126 0.000 1.048 1430 K CA 0.660 56.925 56.287 -0.037 0.000 0.956 1430 K CB -0.273 32.224 32.500 -0.005 0.000 0.746 1430 K HN 0.437 nan 8.250 nan 0.000 0.461 1431 G N 0.414 109.124 108.800 -0.149 0.000 2.368 1431 G HA2 -0.161 3.797 3.960 -0.002 0.000 0.290 1431 G HA3 -0.161 3.797 3.960 -0.002 0.000 0.290 1431 G C -0.326 174.119 174.900 -0.758 0.000 1.098 1431 G CA 0.253 45.114 45.100 -0.399 0.000 1.073 1431 G HN 0.581 nan 8.290 nan 0.000 0.511 1432 A N -0.196 122.456 122.820 -0.280 0.000 2.587 1432 A HA 0.940 5.259 4.320 -0.002 0.000 0.293 1432 A C -0.639 176.950 177.584 0.008 0.000 1.087 1432 A CA -0.226 51.702 52.037 -0.181 0.000 0.692 1432 A CB 2.000 20.898 19.000 -0.171 0.000 1.291 1432 A HN 1.759 nan 8.150 nan 0.000 0.407 1433 I N 0.617 121.143 120.570 -0.074 0.000 2.607 1433 I HA 0.553 4.722 4.170 -0.002 0.000 0.290 1433 I C -1.242 174.818 176.117 -0.095 0.000 1.129 1433 I CA -0.121 61.098 61.300 -0.134 0.000 1.042 1433 I CB 2.298 40.057 38.000 -0.401 0.000 1.242 1433 I HN 0.561 nan 8.210 nan 0.000 0.421 1434 T N 8.146 122.707 114.554 0.012 0.000 2.821 1434 T HA 0.502 4.851 4.350 -0.002 0.000 0.307 1434 T C -0.031 174.667 174.700 -0.004 0.000 1.034 1434 T CA -0.230 61.936 62.100 0.111 0.000 0.953 1434 T CB 0.378 69.383 68.868 0.228 0.000 0.968 1434 T HN 0.319 nan 8.240 nan 0.000 0.462 1435 I N 3.893 124.438 120.570 -0.043 0.000 2.396 1435 I HA 0.238 4.407 4.170 -0.002 0.000 0.289 1435 I C 0.527 176.734 176.117 0.149 0.000 1.056 1435 I CA -0.086 61.136 61.300 -0.130 0.000 1.365 1435 I CB 0.489 38.300 38.000 -0.315 0.000 1.407 1435 I HN 0.309 nan 8.210 nan 0.000 0.509 1436 K N 6.495 126.954 120.400 0.099 0.000 2.376 1436 K HA 0.443 4.761 4.320 -0.002 0.000 0.257 1436 K C -0.970 175.743 176.600 0.190 0.000 0.939 1436 K CA -0.730 55.681 56.287 0.206 0.000 0.809 1436 K CB 1.937 34.538 32.500 0.167 0.000 1.121 1436 K HN 0.215 nan 8.250 nan 0.000 0.425 1437 F N 2.674 122.819 119.950 0.325 0.000 2.529 1437 F HA 0.059 4.585 4.527 -0.002 0.000 0.365 1437 F C 0.993 176.949 175.800 0.260 0.000 1.102 1437 F CA 0.115 58.305 58.000 0.316 0.000 1.271 1437 F CB 0.515 39.744 39.000 0.382 0.000 1.120 1437 F HN 0.201 nan 8.300 nan 0.000 0.579 1438 K N 3.021 123.674 120.400 0.422 0.000 2.448 1438 K HA -0.069 4.250 4.320 -0.002 0.000 0.278 1438 K C 1.167 177.975 176.600 0.347 0.000 1.009 1438 K CA 0.006 56.492 56.287 0.332 0.000 0.995 1438 K CB 0.563 33.243 32.500 0.301 0.000 0.917 1438 K HN 0.726 nan 8.250 nan 0.000 0.481 1439 E N 2.707 123.058 120.200 0.253 0.000 2.106 1439 E HA -0.212 4.137 4.350 -0.002 0.000 0.192 1439 E C 1.727 178.428 176.600 0.170 0.000 0.984 1439 E CA 1.108 57.636 56.400 0.214 0.000 0.806 1439 E CB 0.093 29.908 29.700 0.192 0.000 0.750 1439 E HN 0.731 nan 8.360 nan 0.000 0.458 1440 A N 0.984 123.909 122.820 0.176 0.000 1.883 1440 A HA -0.207 4.112 4.320 -0.002 0.000 0.217 1440 A C 2.016 179.682 177.584 0.137 0.000 1.186 1440 A CA 1.507 53.628 52.037 0.140 0.000 0.624 1440 A CB -1.039 18.052 19.000 0.151 0.000 0.822 1440 A HN 0.540 nan 8.150 nan 0.000 0.444 1441 F N 0.692 120.683 119.950 0.068 0.000 2.095 1441 F HA -0.189 4.337 4.527 -0.002 0.000 0.298 1441 F C 1.942 177.676 175.800 -0.109 0.000 1.104 1441 F CA 1.884 59.857 58.000 -0.045 0.000 1.232 1441 F CB -0.348 38.628 39.000 -0.039 0.000 0.987 1441 F HN 0.155 nan 8.300 nan 0.000 0.475 1442 L N 0.167 121.318 121.223 -0.119 0.000 2.012 1442 L HA -0.258 4.081 4.340 -0.002 0.000 0.210 1442 L C 2.661 179.332 176.870 -0.333 0.000 1.073 1442 L CA 1.730 56.346 54.840 -0.374 0.000 0.748 1442 L CB -0.732 41.224 42.059 -0.173 0.000 0.891 1442 L HN 0.096 nan 8.230 nan 0.000 0.431 1443 R N -0.255 120.160 120.500 -0.141 0.000 2.241 1443 R HA -0.122 4.217 4.340 -0.002 0.000 0.224 1443 R C 2.455 178.671 176.300 -0.139 0.000 1.101 1443 R CA 1.409 57.454 56.100 -0.091 0.000 0.995 1443 R CB -0.291 30.005 30.300 -0.007 0.000 0.870 1443 R HN 0.484 nan 8.270 nan 0.000 0.463 1444 S N -0.069 115.500 115.700 -0.218 0.000 2.489 1444 S HA 0.019 4.488 4.470 -0.002 0.000 0.228 1444 S C 0.978 175.420 174.600 -0.264 0.000 0.995 1444 S CA -0.175 57.898 58.200 -0.211 0.000 0.934 1444 S CB 0.041 63.117 63.200 -0.207 0.000 0.771 1444 S HN -0.074 nan 8.310 nan 0.000 0.522 1445 V N 2.913 122.602 119.914 -0.375 0.000 2.655 1445 V HA 0.244 4.363 4.120 -0.002 0.000 0.300 1445 V C 0.879 176.879 176.094 -0.157 0.000 1.044 1445 V CA -0.216 61.908 62.300 -0.295 0.000 1.095 1445 V CB 0.945 32.548 31.823 -0.367 0.000 0.952 1445 V HN 0.522 nan 8.190 nan 0.000 0.485 1446 S N 3.922 119.558 115.700 -0.106 0.000 2.572 1446 S HA 0.161 4.630 4.470 -0.002 0.000 0.279 1446 S C 1.266 175.783 174.600 -0.138 0.000 1.341 1446 S CA -0.299 57.842 58.200 -0.098 0.000 1.043 1446 S CB 0.305 63.458 63.200 -0.077 0.000 0.887 1446 S HN 0.653 nan 8.310 nan 0.000 0.516 1447 I N 0.853 121.294 120.570 -0.214 0.000 2.830 1447 I HA 0.025 4.194 4.170 -0.002 0.000 0.263 1447 I C 0.723 176.440 176.117 -0.666 0.000 1.230 1447 I CA 1.010 62.004 61.300 -0.510 0.000 1.480 1447 I CB -0.265 37.538 38.000 -0.328 0.000 1.095 1447 I HN 0.419 nan 8.210 nan 0.000 0.455 1448 D N 1.253 121.475 120.400 -0.296 0.000 2.277 1448 D HA -0.005 4.634 4.640 -0.002 0.000 0.208 1448 D C 1.303 177.550 176.300 -0.088 0.000 0.962 1448 D CA 0.541 54.434 54.000 -0.179 0.000 0.865 1448 D CB 0.132 40.875 40.800 -0.096 0.000 0.939 1448 D HN 0.353 nan 8.370 nan 0.000 0.510 1449 S N -0.078 115.595 115.700 -0.046 0.000 2.592 1449 S HA 0.471 4.940 4.470 -0.002 0.000 0.271 1449 S C 0.111 174.819 174.600 0.180 0.000 1.326 1449 S CA -0.677 57.559 58.200 0.060 0.000 1.024 1449 S CB 1.066 64.301 63.200 0.059 0.000 0.921 1449 S HN 0.158 nan 8.310 nan 0.000 0.527 1450 A N 2.687 125.589 122.820 0.137 0.000 2.313 1450 A HA 0.702 5.021 4.320 -0.002 0.000 0.261 1450 A C -0.681 177.011 177.584 0.180 0.000 1.090 1450 A CA -0.346 51.779 52.037 0.147 0.000 0.807 1450 A CB 0.071 19.117 19.000 0.077 0.000 1.055 1450 A HN 0.915 nan 8.150 nan 0.000 0.492 1451 F N -0.526 119.398 119.950 -0.043 0.000 2.615 1451 F HA 0.563 5.089 4.527 -0.002 0.000 0.312 1451 F C -0.664 175.077 175.800 -0.098 0.000 1.119 1451 F CA -0.141 57.789 58.000 -0.117 0.000 0.979 1451 F CB 1.621 40.487 39.000 -0.224 0.000 1.266 1451 F HN 0.758 nan 8.300 nan 0.000 0.444 1452 Q N 4.502 123.866 119.800 -0.726 0.000 2.503 1452 Q HA 0.751 5.089 4.340 -0.002 0.000 0.268 1452 Q C -2.240 173.499 176.000 -0.435 0.000 0.982 1452 Q CA -0.706 54.891 55.803 -0.344 0.000 0.907 1452 Q CB 2.271 30.979 28.738 -0.049 0.000 1.467 1452 Q HN 1.034 nan 8.270 nan 0.000 0.394 1453 A N 2.416 125.217 122.820 -0.031 0.000 2.566 1453 A HA 0.812 5.130 4.320 -0.002 0.000 0.292 1453 A C -1.742 176.166 177.584 0.541 0.000 1.112 1453 A CA -0.598 51.577 52.037 0.230 0.000 0.707 1453 A CB 1.882 21.101 19.000 0.364 0.000 1.302 1453 A HN 0.743 nan 8.150 nan 0.000 0.409 1454 E N 0.418 120.842 120.200 0.374 0.000 2.314 1454 E HA 0.704 5.052 4.350 -0.002 0.000 0.272 1454 E C -1.256 175.278 176.600 -0.110 0.000 0.884 1454 E CA -0.738 55.778 56.400 0.194 0.000 0.753 1454 E CB 1.992 31.748 29.700 0.094 0.000 1.213 1454 E HN 0.296 nan 8.360 nan 0.000 0.432 1455 S N 1.422 116.806 115.700 -0.527 0.000 2.501 1455 S HA 0.420 4.889 4.470 -0.002 0.000 0.301 1455 S C -1.342 173.054 174.600 -0.340 0.000 1.096 1455 S CA -0.586 57.292 58.200 -0.537 0.000 1.063 1455 S CB 0.490 63.069 63.200 -1.035 0.000 1.042 1455 S HN 0.431 nan 8.310 nan 0.000 0.494 1456 Y N 2.400 122.668 120.300 -0.054 0.000 2.328 1456 Y HA 0.479 5.028 4.550 -0.002 0.000 0.333 1456 Y C 0.302 176.200 175.900 -0.003 0.000 0.958 1456 Y CA -0.913 57.190 58.100 0.005 0.000 1.167 1456 Y CB 0.802 39.320 38.460 0.096 0.000 1.151 1456 Y HN 0.545 nan 8.280 nan 0.000 0.470 1457 I N 1.023 121.634 120.570 0.068 0.000 2.321 1457 I HA 0.468 4.637 4.170 -0.002 0.000 0.291 1457 I C -0.441 175.663 176.117 -0.023 0.000 0.998 1457 I CA -0.971 60.353 61.300 0.040 0.000 1.227 1457 I CB 1.550 39.452 38.000 -0.164 0.000 1.368 1457 I HN 0.553 nan 8.210 nan 0.000 0.466 1458 Q N 7.160 126.973 119.800 0.021 0.000 2.296 1458 Q HA 0.347 4.686 4.340 -0.002 0.000 0.263 1458 Q C -1.028 174.774 176.000 -0.330 0.000 1.026 1458 Q CA -0.383 55.315 55.803 -0.175 0.000 0.912 1458 Q CB 0.809 29.458 28.738 -0.147 0.000 1.198 1458 Q HN 0.653 nan 8.270 nan 0.000 0.407 1459 M N 2.911 122.117 119.600 -0.657 0.000 2.664 1459 M HA 0.472 4.950 4.480 -0.002 0.000 0.314 1459 M C -0.795 175.149 176.300 -0.593 0.000 1.200 1459 M CA -0.657 54.180 55.300 -0.771 0.000 0.916 1459 M CB 1.644 33.519 32.600 -1.208 0.000 1.717 1459 M HN 0.422 nan 8.290 nan 0.000 0.470 1460 K N 1.318 121.560 120.400 -0.262 0.000 2.292 1460 K HA 0.433 4.752 4.320 -0.002 0.000 0.257 1460 K C -0.676 176.012 176.600 0.147 0.000 0.940 1460 K CA -0.716 55.574 56.287 0.006 0.000 0.811 1460 K CB 1.653 34.197 32.500 0.074 0.000 1.120 1460 K HN 0.492 nan 8.250 nan 0.000 0.428 1461 R N 4.499 125.168 120.500 0.281 0.000 2.309 1461 R HA 0.092 4.431 4.340 -0.002 0.000 0.331 1461 R C 0.302 176.646 176.300 0.072 0.000 1.116 1461 R CA -0.058 56.154 56.100 0.185 0.000 0.970 1461 R CB -0.461 29.907 30.300 0.113 0.000 1.024 1461 R HN 0.690 nan 8.270 nan 0.000 0.472 1462 I N 0.945 121.525 120.570 0.018 0.000 3.956 1462 I HA 0.504 4.673 4.170 -0.002 0.000 0.333 1462 I C 0.368 176.495 176.117 0.016 0.000 1.302 1462 I CA -0.027 61.281 61.300 0.014 0.000 1.122 1462 I CB 0.281 38.283 38.000 0.004 0.000 1.013 1462 I HN 0.424 nan 8.210 nan 0.000 0.405 1463 A N -0.160 122.675 122.820 0.024 0.000 2.533 1463 A HA 0.874 5.193 4.320 -0.002 0.000 0.293 1463 A C -1.117 176.615 177.584 0.246 0.000 1.228 1463 A CA -0.622 51.489 52.037 0.124 0.000 0.689 1463 A CB 1.010 20.109 19.000 0.166 0.000 1.303 1463 A HN -0.108 nan 8.150 nan 0.000 0.444 1464 V N 0.047 120.125 119.914 0.273 0.000 2.630 1464 V HA 0.794 4.912 4.120 -0.002 0.000 0.305 1464 V C 0.846 177.065 176.094 0.209 0.000 1.046 1464 V CA 1.161 63.595 62.300 0.222 0.000 0.934 1464 V CB 1.110 32.999 31.823 0.111 0.000 1.003 1464 V HN 2.277 nan 8.190 nan 0.000 0.451 1465 G N 3.648 112.480 108.800 0.054 0.000 2.250 1465 G HA2 0.081 4.039 3.960 -0.002 0.000 0.252 1465 G HA3 0.081 4.039 3.960 -0.002 0.000 0.252 1465 G C -0.575 174.084 174.900 -0.401 0.000 1.325 1465 G CA -0.164 44.789 45.100 -0.244 0.000 1.091 1465 G HN 0.673 nan 8.290 nan 0.000 0.476 1466 T N 1.165 115.310 114.554 -0.683 0.000 2.847 1466 T HA 0.658 5.007 4.350 -0.002 0.000 0.291 1466 T C -1.243 173.076 174.700 -0.635 0.000 0.998 1466 T CA -0.042 61.781 62.100 -0.462 0.000 0.967 1466 T CB 0.611 69.351 68.868 -0.213 0.000 0.954 1466 T HN 0.490 nan 8.240 nan 0.000 0.441 1467 F N 1.607 121.600 119.950 0.072 0.000 2.507 1467 F HA 0.502 5.027 4.527 -0.002 0.000 0.325 1467 F C 0.755 176.621 175.800 0.111 0.000 1.116 1467 F CA -1.152 56.911 58.000 0.105 0.000 0.930 1467 F CB 1.521 40.614 39.000 0.156 0.000 1.146 1467 F HN 0.407 nan 8.300 nan 0.000 0.447 1468 E N 1.111 121.455 120.200 0.240 0.000 2.250 1468 E HA 0.448 4.796 4.350 -0.002 0.000 0.265 1468 E C -1.053 175.623 176.600 0.127 0.000 1.033 1468 E CA -1.036 55.454 56.400 0.151 0.000 0.888 1468 E CB 1.544 31.295 29.700 0.085 0.000 1.151 1468 E HN 0.542 nan 8.360 nan 0.000 0.412 1469 N N -0.381 118.320 118.700 0.002 0.000 2.308 1469 N HA 0.369 5.108 4.740 -0.002 0.000 0.283 1469 N C -1.967 173.485 175.510 -0.097 0.000 1.105 1469 N CA -0.317 52.656 53.050 -0.127 0.000 0.840 1469 N CB 2.074 40.234 38.487 -0.546 0.000 1.633 1469 N HN 0.313 nan 8.380 nan 0.000 0.476 1470 T N 1.550 116.076 114.554 -0.046 0.000 2.916 1470 T HA 0.437 4.785 4.350 -0.002 0.000 0.305 1470 T C -1.621 173.128 174.700 0.082 0.000 1.119 1470 T CA -0.486 61.623 62.100 0.015 0.000 1.008 1470 T CB 0.774 69.648 68.868 0.011 0.000 1.129 1470 T HN 0.488 nan 8.240 nan 0.000 0.480 1471 Y N 1.209 121.495 120.300 -0.025 0.000 2.576 1471 Y HA 0.838 5.387 4.550 -0.002 0.000 0.346 1471 Y C -1.655 174.284 175.900 0.065 0.000 1.018 1471 Y CA -1.614 56.492 58.100 0.010 0.000 1.050 1471 Y CB 1.214 39.688 38.460 0.023 0.000 1.280 1471 Y HN 0.406 nan 8.280 nan 0.000 0.474 1472 I N 3.680 124.172 120.570 -0.129 0.000 2.362 1472 I HA 0.233 4.402 4.170 -0.002 0.000 0.289 1472 I C -0.609 175.366 176.117 -0.237 0.000 0.994 1472 I CA -0.508 60.661 61.300 -0.218 0.000 1.158 1472 I CB 1.134 39.169 38.000 0.059 0.000 1.315 1472 I HN 0.829 nan 8.210 nan 0.000 0.451 1473 N N 4.787 123.220 118.700 -0.446 0.000 2.420 1473 N HA 0.230 4.968 4.740 -0.002 0.000 0.249 1473 N C -0.726 174.673 175.510 -0.184 0.000 1.033 1473 N CA -0.142 52.728 53.050 -0.299 0.000 0.944 1473 N CB 0.814 39.083 38.487 -0.362 0.000 1.113 1473 N HN 0.477 nan 8.380 nan 0.000 0.502 1474 T N 2.910 117.354 114.554 -0.184 0.000 2.743 1474 T HA 0.230 4.579 4.350 -0.002 0.000 0.292 1474 T C -0.135 174.455 174.700 -0.184 0.000 0.972 1474 T CA -0.412 61.612 62.100 -0.127 0.000 0.967 1474 T CB 1.040 69.856 68.868 -0.087 0.000 0.926 1474 T HN 0.167 nan 8.240 nan 0.000 0.459 1475 V N 5.077 124.934 119.914 -0.095 0.000 2.357 1475 V HA 0.308 4.427 4.120 -0.002 0.000 0.284 1475 V C 0.243 176.232 176.094 -0.175 0.000 1.018 1475 V CA -1.096 61.117 62.300 -0.144 0.000 0.841 1475 V CB 0.855 32.616 31.823 -0.104 0.000 0.991 1475 V HN 0.924 nan 8.190 nan 0.000 0.437 1476 N N 4.371 122.823 118.700 -0.413 0.000 2.699 1476 N HA -0.212 4.527 4.740 -0.002 0.000 0.256 1476 N C 1.214 176.591 175.510 -0.222 0.000 0.993 1476 N CA 1.584 54.194 53.050 -0.733 0.000 0.759 1476 N CB -1.001 37.096 38.487 -0.650 0.000 0.906 1476 N HN 1.453 nan 8.380 nan 0.000 0.541 1477 G N -3.120 105.618 108.800 -0.103 0.000 2.184 1477 G HA2 -0.303 3.656 3.960 -0.002 0.000 0.264 1477 G HA3 -0.303 3.656 3.960 -0.002 0.000 0.264 1477 G C 0.010 174.875 174.900 -0.059 0.000 0.975 1477 G CA 0.411 45.516 45.100 0.009 0.000 0.642 1477 G HN 0.574 nan 8.290 nan 0.000 0.536 1478 V N 1.833 121.684 119.914 -0.105 0.000 2.417 1478 V HA 0.678 4.797 4.120 -0.002 0.000 0.291 1478 V C 0.688 176.574 176.094 -0.345 0.000 1.024 1478 V CA -0.030 62.136 62.300 -0.223 0.000 0.861 1478 V CB 1.715 33.402 31.823 -0.227 0.000 0.985 1478 V HN 0.653 nan 8.190 nan 0.000 0.436 1479 T N 2.078 116.378 114.554 -0.424 0.000 2.845 1479 T HA 0.700 5.049 4.350 -0.002 0.000 0.288 1479 T C -0.962 173.399 174.700 -0.565 0.000 0.980 1479 T CA -0.406 61.483 62.100 -0.351 0.000 1.071 1479 T CB 0.572 69.306 68.868 -0.223 0.000 0.941 1479 T HN 0.414 nan 8.240 nan 0.000 0.487 1480 Y N 0.801 120.995 120.300 -0.178 0.000 2.361 1480 Y HA 0.558 5.107 4.550 -0.002 0.000 0.337 1480 Y C 0.608 176.369 175.900 -0.231 0.000 0.965 1480 Y CA -1.110 56.885 58.100 -0.175 0.000 1.091 1480 Y CB 2.186 40.543 38.460 -0.171 0.000 1.182 1480 Y HN 0.776 nan 8.280 nan 0.000 0.450 1481 S N 2.145 117.810 115.700 -0.057 0.000 2.562 1481 S HA 0.490 4.958 4.470 -0.002 0.000 0.275 1481 S C 0.155 174.676 174.600 -0.133 0.000 1.281 1481 S CA -0.618 57.506 58.200 -0.127 0.000 1.045 1481 S CB 0.427 63.583 63.200 -0.073 0.000 0.962 1481 S HN 0.765 nan 8.310 nan 0.000 0.503 1482 S N 4.099 119.677 115.700 -0.204 0.000 2.661 1482 S HA 0.357 4.825 4.470 -0.002 0.000 0.265 1482 S C 0.396 174.985 174.600 -0.018 0.000 1.225 1482 S CA -0.909 57.238 58.200 -0.088 0.000 0.986 1482 S CB 0.043 63.237 63.200 -0.010 0.000 1.008 1482 S HN 0.915 nan 8.310 nan 0.000 0.565 1483 N N 0.218 118.931 118.700 0.021 0.000 2.260 1483 N HA 0.060 4.798 4.740 -0.002 0.000 0.230 1483 N C -0.725 174.800 175.510 0.026 0.000 1.323 1483 N CA -0.065 53.000 53.050 0.024 0.000 0.897 1483 N CB -0.580 37.929 38.487 0.036 0.000 1.146 1483 N HN 0.627 nan 8.380 nan 0.000 0.460 1484 T N 0.126 114.693 114.554 0.021 0.000 2.771 1484 T HA 0.386 4.734 4.350 -0.002 0.000 0.281 1484 T C 0.350 175.064 174.700 0.024 0.000 0.982 1484 T CA -0.842 61.268 62.100 0.017 0.000 0.978 1484 T CB 0.797 69.675 68.868 0.017 0.000 0.930 1484 T HN 0.496 nan 8.240 nan 0.000 0.447 1485 V N 1.237 121.160 119.914 0.015 0.000 3.036 1485 V HA 0.742 4.861 4.120 -0.002 0.000 0.308 1485 V C -0.125 176.007 176.094 0.063 0.000 1.070 1485 V CA -0.859 61.467 62.300 0.043 0.000 1.056 1485 V CB 1.294 33.154 31.823 0.062 0.000 1.084 1485 V HN 0.862 nan 8.190 nan 0.000 0.471 1486 K N 1.840 122.289 120.400 0.082 0.000 2.581 1486 K HA 0.595 4.914 4.320 -0.002 0.000 0.249 1486 K C -0.761 175.889 176.600 0.084 0.000 0.966 1486 K CA -0.053 56.285 56.287 0.085 0.000 0.811 1486 K CB 2.184 34.713 32.500 0.048 0.000 1.223 1486 K HN 1.167 nan 8.250 nan 0.000 0.438 1487 T N -0.511 114.108 114.554 0.109 0.000 2.888 1487 T HA 0.623 4.972 4.350 -0.002 0.000 0.288 1487 T C -0.400 174.337 174.700 0.060 0.000 1.063 1487 T CA -0.606 61.535 62.100 0.067 0.000 1.010 1487 T CB 1.846 70.729 68.868 0.025 0.000 1.214 1487 T HN 0.362 nan 8.240 nan 0.000 0.533 1488 T N 0.831 115.403 114.554 0.031 0.000 2.906 1488 T HA 0.769 5.117 4.350 -0.002 0.000 0.295 1488 T C -0.758 173.968 174.700 0.043 0.000 1.061 1488 T CA -0.528 61.584 62.100 0.021 0.000 1.000 1488 T CB 2.019 70.882 68.868 -0.008 0.000 1.103 1488 T HN 0.892 nan 8.240 nan 0.000 0.486 1489 T N 0.000 114.595 114.554 0.068 0.000 3.816 1489 T HA 0.000 4.349 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 68.958 68.868 0.150 0.000 0.612 1489 T HN 0.000 nan 8.240 nan 0.000 0.658