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_D 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 0.000 175.560 175.510 0.084 0.000 1.280 1151 N CA 0.000 53.090 53.050 0.066 0.000 0.885 1151 N CB 0.000 38.542 38.487 0.091 0.000 1.341 1152 Y N 2.220 122.500 120.300 -0.033 0.000 2.446 1152 Y HA 0.553 5.103 4.550 0.001 0.000 0.338 1152 Y C -0.493 175.366 175.900 -0.069 0.000 1.055 1152 Y CA -0.820 57.256 58.100 -0.039 0.000 1.101 1152 Y CB 1.315 39.766 38.460 -0.016 0.000 1.221 1152 Y HN 0.106 nan 8.280 nan 0.000 0.460 1153 I N 6.430 126.812 120.570 -0.313 0.000 2.452 1153 I HA 0.218 4.389 4.170 0.001 0.000 0.287 1153 I C -0.933 175.182 176.117 -0.002 0.000 1.079 1153 I CA 0.087 61.239 61.300 -0.246 0.000 1.387 1153 I CB -0.073 37.604 38.000 -0.539 0.000 1.404 1153 I HN 0.644 nan 8.210 nan 0.000 0.522 1154 K N 9.437 129.872 120.400 0.059 0.000 2.731 1154 K HA 0.434 4.754 4.320 0.001 0.000 0.257 1154 K C -2.720 173.946 176.600 0.111 0.000 1.032 1154 K CA -1.531 54.834 56.287 0.130 0.000 0.983 1154 K CB 1.526 34.121 32.500 0.159 0.000 1.248 1154 K HN 0.295 nan 8.250 nan 0.000 0.484 1155 P HA 0.015 nan 4.420 nan 0.000 0.268 1155 P C -0.624 176.743 177.300 0.112 0.000 1.205 1155 P CA 0.040 63.239 63.100 0.165 0.000 0.771 1155 P CB 1.047 32.819 31.700 0.120 0.000 0.858 1156 T N -0.413 114.215 114.554 0.124 0.000 2.876 1156 T HA 0.570 4.921 4.350 0.001 0.000 0.289 1156 T C -0.802 173.948 174.700 0.083 0.000 1.014 1156 T CA -0.937 61.210 62.100 0.078 0.000 0.986 1156 T CB 1.942 70.848 68.868 0.063 0.000 1.021 1156 T HN 0.429 nan 8.240 nan 0.000 0.458 1157 K N 2.358 122.789 120.400 0.052 0.000 2.463 1157 K HA 0.685 5.006 4.320 0.001 0.000 0.255 1157 K C -1.718 174.924 176.600 0.070 0.000 0.942 1157 K CA -0.847 55.471 56.287 0.053 0.000 0.814 1157 K CB 2.117 34.616 32.500 -0.002 0.000 1.122 1157 K HN 0.586 nan 8.250 nan 0.000 0.425 1158 V N 3.289 123.271 119.914 0.114 0.000 2.769 1158 V HA 0.511 4.632 4.120 0.001 0.000 0.312 1158 V C -1.413 174.825 176.094 0.239 0.000 1.061 1158 V CA -0.817 61.565 62.300 0.137 0.000 0.931 1158 V CB 2.035 33.914 31.823 0.092 0.000 1.010 1158 V HN 0.944 nan 8.190 nan 0.000 0.433 1159 N N 4.268 123.112 118.700 0.240 0.000 2.399 1159 N HA 0.546 5.287 4.740 0.001 0.000 0.295 1159 N C -1.084 174.504 175.510 0.130 0.000 1.048 1159 N CA -0.337 52.863 53.050 0.249 0.000 0.886 1159 N CB 1.536 40.176 38.487 0.256 0.000 1.185 1159 N HN 0.745 nan 8.380 nan 0.000 0.487 1160 K N 1.122 121.590 120.400 0.113 0.000 2.477 1160 K HA 0.349 4.670 4.320 0.001 0.000 0.255 1160 K C -0.418 176.272 176.600 0.150 0.000 0.952 1160 K CA -0.946 55.401 56.287 0.100 0.000 0.826 1160 K CB 1.329 33.878 32.500 0.082 0.000 1.331 1160 K HN 0.708 nan 8.250 nan 0.000 0.437 1161 N N 0.162 118.922 118.700 0.100 0.000 2.366 1161 N HA -0.038 4.703 4.740 0.001 0.000 0.277 1161 N C 0.621 176.095 175.510 -0.060 0.000 1.275 1161 N CA -0.180 52.951 53.050 0.135 0.000 0.964 1161 N CB 0.179 38.711 38.487 0.075 0.000 1.167 1161 N HN 0.681 nan 8.380 nan 0.000 0.568 1162 E N -1.493 118.611 120.200 -0.159 0.000 2.265 1162 E HA -0.154 4.196 4.350 0.001 0.000 0.196 1162 E C 0.067 176.466 176.600 -0.335 0.000 0.996 1162 E CA 0.965 57.030 56.400 -0.558 0.000 0.832 1162 E CB -0.437 29.095 29.700 -0.281 0.000 0.756 1162 E HN 0.449 nan 8.360 nan 0.000 0.491 1163 N N 0.537 119.136 118.700 -0.169 0.000 2.314 1163 N HA 0.066 4.806 4.740 0.001 0.000 0.200 1163 N C 0.785 176.236 175.510 -0.099 0.000 1.135 1163 N CA 0.786 53.766 53.050 -0.117 0.000 0.835 1163 N CB 1.004 39.449 38.487 -0.070 0.000 0.989 1163 N HN 0.428 nan 8.380 nan 0.000 0.478 1164 G N 0.099 108.829 108.800 -0.117 0.000 2.166 1164 G HA2 -0.289 3.671 3.960 0.001 0.000 0.260 1164 G HA3 -0.289 3.671 3.960 0.001 0.000 0.260 1164 G C 0.154 175.035 174.900 -0.031 0.000 0.986 1164 G CA 0.306 45.365 45.100 -0.069 0.000 0.683 1164 G HN 0.231 nan 8.290 nan 0.000 0.527 1165 V N 0.728 120.626 119.914 -0.027 0.000 2.637 1165 V HA 0.309 4.429 4.120 0.001 0.000 0.296 1165 V C 1.375 177.474 176.094 0.008 0.000 1.046 1165 V CA -0.412 61.881 62.300 -0.013 0.000 1.066 1165 V CB 1.701 33.512 31.823 -0.019 0.000 0.968 1165 V HN 0.245 nan 8.190 nan 0.000 0.483 1166 V N 6.891 126.812 119.914 0.011 0.000 2.529 1166 V HA 0.058 4.178 4.120 0.001 0.000 0.292 1166 V C 0.933 177.043 176.094 0.027 0.000 1.028 1166 V CA 0.701 63.017 62.300 0.027 0.000 1.074 1166 V CB 0.626 32.463 31.823 0.023 0.000 0.958 1166 V HN 0.855 nan 8.190 nan 0.000 0.481 1167 I N -0.356 120.240 120.570 0.044 0.000 4.147 1167 I HA 0.417 4.587 4.170 0.001 0.000 0.329 1167 I C 0.027 176.171 176.117 0.045 0.000 1.424 1167 I CA -0.570 60.754 61.300 0.039 0.000 1.127 1167 I CB 0.354 38.382 38.000 0.047 0.000 1.128 1167 I HN 0.348 nan 8.210 nan 0.000 0.417 1168 D N 3.508 123.941 120.400 0.055 0.000 2.703 1168 D HA -0.099 4.542 4.640 0.001 0.000 0.225 1168 D C 0.706 177.017 176.300 0.018 0.000 1.119 1168 D CA 1.370 55.399 54.000 0.049 0.000 0.845 1168 D CB 0.209 41.037 40.800 0.047 0.000 1.182 1168 D HN 0.397 nan 8.370 nan 0.000 0.493 1169 D N -0.447 119.954 120.400 0.001 0.000 2.978 1169 D HA -0.205 4.436 4.640 0.001 0.000 0.205 1169 D C -0.068 176.221 176.300 -0.018 0.000 1.093 1169 D CA 1.020 55.008 54.000 -0.019 0.000 1.006 1169 D CB -0.637 40.156 40.800 -0.011 0.000 1.116 1169 D HN 0.507 nan 8.370 nan 0.000 0.419 1170 K N 0.917 121.315 120.400 -0.005 0.000 2.258 1170 K HA 0.262 4.582 4.320 0.001 0.000 0.264 1170 K C 0.432 177.039 176.600 0.012 0.000 1.007 1170 K CA 0.181 56.473 56.287 0.009 0.000 0.941 1170 K CB 0.501 33.013 32.500 0.020 0.000 0.966 1170 K HN -0.095 nan 8.250 nan 0.000 0.480 1171 T N 1.611 116.190 114.554 0.042 0.000 2.870 1171 T HA 0.175 4.525 4.350 0.001 0.000 0.300 1171 T C -0.248 174.513 174.700 0.102 0.000 0.989 1171 T CA -0.403 61.735 62.100 0.062 0.000 1.139 1171 T CB 0.447 69.363 68.868 0.080 0.000 0.920 1171 T HN 0.168 nan 8.240 nan 0.000 0.537 1172 V N 5.107 125.086 119.914 0.108 0.000 2.483 1172 V HA 0.360 4.480 4.120 0.001 0.000 0.297 1172 V C 0.082 176.256 176.094 0.133 0.000 1.027 1172 V CA -0.946 61.439 62.300 0.142 0.000 0.855 1172 V CB 1.539 33.486 31.823 0.206 0.000 0.995 1172 V HN 0.749 nan 8.190 nan 0.000 0.424 1173 L N 3.592 124.873 121.223 0.096 0.000 2.417 1173 L HA 0.538 4.878 4.340 0.001 0.000 0.268 1173 L C 1.146 178.071 176.870 0.091 0.000 1.158 1173 L CA -0.123 54.760 54.840 0.072 0.000 0.819 1173 L CB 0.830 42.904 42.059 0.026 0.000 1.112 1173 L HN 0.824 nan 8.230 nan 0.000 0.458 1174 A N 2.080 124.968 122.820 0.113 0.000 2.565 1174 A HA 0.369 4.689 4.320 0.001 0.000 0.237 1174 A C 1.266 178.887 177.584 0.060 0.000 1.053 1174 A CA 0.666 52.761 52.037 0.096 0.000 0.755 1174 A CB -0.276 18.809 19.000 0.142 0.000 0.980 1174 A HN 1.147 nan 8.150 nan 0.000 0.506 1175 G N 1.505 110.316 108.800 0.019 0.000 2.253 1175 G HA2 -0.234 3.727 3.960 0.001 0.000 0.251 1175 G HA3 -0.234 3.727 3.960 0.001 0.000 0.251 1175 G C 0.638 175.557 174.900 0.032 0.000 0.998 1175 G CA 0.498 45.606 45.100 0.012 0.000 0.621 1175 G HN 1.263 nan 8.290 nan 0.000 0.524 1176 S N 0.653 116.378 115.700 0.041 0.000 2.593 1176 S HA 0.565 5.035 4.470 0.001 0.000 0.269 1176 S C 0.422 175.007 174.600 -0.025 0.000 1.334 1176 S CA 0.491 58.723 58.200 0.053 0.000 1.015 1176 S CB 1.386 64.633 63.200 0.079 0.000 0.912 1176 S HN 0.423 nan 8.310 nan 0.000 0.541 1177 T N 3.270 117.789 114.554 -0.059 0.000 2.829 1177 T HA 0.284 4.634 4.350 0.001 0.000 0.282 1177 T C -0.124 174.373 174.700 -0.338 0.000 0.990 1177 T CA -0.725 61.204 62.100 -0.286 0.000 1.028 1177 T CB 0.337 68.887 68.868 -0.530 0.000 0.951 1177 T HN 0.462 nan 8.240 nan 0.000 0.460 1178 N N 3.110 121.546 118.700 -0.441 0.000 2.437 1178 N HA 0.118 4.858 4.740 0.001 0.000 0.243 1178 N C -0.881 174.260 175.510 -0.616 0.000 1.041 1178 N CA -0.137 52.594 53.050 -0.531 0.000 0.940 1178 N CB 0.788 38.757 38.487 -0.863 0.000 1.133 1178 N HN 0.596 nan 8.380 nan 0.000 0.506 1179 Y N 2.025 122.192 120.300 -0.221 0.000 2.724 1179 Y HA 0.114 4.664 4.550 0.001 0.000 0.354 1179 Y C 0.084 175.972 175.900 -0.019 0.000 1.270 1179 Y CA -0.566 57.475 58.100 -0.098 0.000 1.902 1179 Y CB -0.730 37.704 38.460 -0.044 0.000 1.981 1179 Y HN 0.399 nan 8.280 nan 0.000 0.428 1180 Y N 1.222 121.583 120.300 0.103 0.000 2.717 1180 Y HA -0.005 4.545 4.550 0.001 0.000 0.330 1180 Y C 0.668 176.613 175.900 0.076 0.000 1.217 1180 Y CA -0.527 57.629 58.100 0.093 0.000 1.506 1180 Y CB 0.278 38.789 38.460 0.085 0.000 1.268 1180 Y HN 0.386 nan 8.280 nan 0.000 0.561 1181 E N 4.846 125.185 120.200 0.232 0.000 2.145 1181 E HA 0.444 4.794 4.350 0.001 0.000 0.270 1181 E C -1.242 175.403 176.600 0.076 0.000 0.906 1181 E CA -0.642 55.825 56.400 0.112 0.000 0.761 1181 E CB 1.596 31.343 29.700 0.078 0.000 1.116 1181 E HN 0.470 nan 8.360 nan 0.000 0.408 1182 L N 2.444 123.664 121.223 -0.005 0.000 2.296 1182 L HA 0.389 4.729 4.340 0.001 0.000 0.286 1182 L C 0.360 177.165 176.870 -0.107 0.000 1.023 1182 L CA -0.869 53.951 54.840 -0.034 0.000 0.812 1182 L CB 1.360 43.355 42.059 -0.107 0.000 1.223 1182 L HN 0.504 nan 8.230 nan 0.000 0.421 1183 T N -1.737 112.828 114.554 0.019 0.000 2.795 1183 T HA 0.263 4.614 4.350 0.001 0.000 0.282 1183 T C -0.721 174.089 174.700 0.182 0.000 0.980 1183 T CA -0.566 61.563 62.100 0.048 0.000 1.012 1183 T CB 1.276 70.188 68.868 0.073 0.000 0.936 1183 T HN 0.468 nan 8.240 nan 0.000 0.457 1184 W N 4.424 125.699 121.300 -0.041 0.000 2.311 1184 W HA 0.325 4.985 4.660 0.000 0.000 0.317 1184 W C -0.611 175.979 176.519 0.119 0.000 1.065 1184 W CA -1.143 56.290 57.345 0.146 0.000 1.364 1184 W CB 0.336 29.822 29.460 0.043 0.000 1.233 1184 W HN 0.768 nan 8.180 nan 0.000 0.409 1185 D N 5.401 126.085 120.400 0.474 0.000 2.374 1185 D HA 0.098 4.738 4.640 0.001 0.000 0.240 1185 D C 0.582 177.009 176.300 0.211 0.000 1.229 1185 D CA 0.219 54.359 54.000 0.233 0.000 0.895 1185 D CB 0.453 41.331 40.800 0.131 0.000 1.046 1185 D HN 0.480 nan 8.370 nan 0.000 0.498 1186 L N 2.447 123.750 121.223 0.133 0.000 2.766 1186 L HA 0.106 4.446 4.340 0.001 0.000 0.242 1186 L C 1.367 178.255 176.870 0.031 0.000 1.136 1186 L CA -0.072 54.862 54.840 0.157 0.000 0.933 1186 L CB 0.283 42.390 42.059 0.080 0.000 1.241 1186 L HN 0.265 nan 8.230 nan 0.000 0.522 1187 D N -1.033 119.348 120.400 -0.032 0.000 2.392 1187 D HA -0.198 4.442 4.640 0.001 0.000 0.228 1187 D C 1.684 177.929 176.300 -0.091 0.000 1.003 1187 D CA 0.687 54.660 54.000 -0.045 0.000 0.917 1187 D CB 0.025 40.805 40.800 -0.033 0.000 0.890 1187 D HN 0.152 nan 8.370 nan 0.000 0.532 1188 Q N -0.794 118.869 119.800 -0.228 0.000 2.360 1188 Q HA 0.026 4.366 4.340 0.001 0.000 0.202 1188 Q C 0.317 176.193 176.000 -0.208 0.000 0.915 1188 Q CA 0.307 55.945 55.803 -0.274 0.000 0.943 1188 Q CB 0.045 28.531 28.738 -0.419 0.000 1.064 1188 Q HN 0.525 nan 8.270 nan 0.000 0.511 1189 Y N 0.266 120.601 120.300 0.059 0.000 2.524 1189 Y HA 0.234 4.785 4.550 0.001 0.000 0.266 1189 Y C 0.299 176.221 175.900 0.037 0.000 1.180 1189 Y CA -0.604 57.556 58.100 0.099 0.000 1.244 1189 Y CB 0.162 38.738 38.460 0.193 0.000 1.125 1189 Y HN -0.192 nan 8.280 nan 0.000 0.524 1190 K N 1.386 121.848 120.400 0.105 0.000 2.448 1190 K HA -0.066 4.254 4.320 0.001 0.000 0.278 1190 K C 0.747 177.375 176.600 0.048 0.000 1.009 1190 K CA 0.440 56.753 56.287 0.043 0.000 0.995 1190 K CB 0.026 32.531 32.500 0.009 0.000 0.917 1190 K HN 0.173 nan 8.250 nan 0.000 0.481 1191 N N 1.798 120.510 118.700 0.020 0.000 2.714 1191 N HA -0.220 4.520 4.740 0.001 0.000 0.250 1191 N C -1.045 174.504 175.510 0.065 0.000 1.117 1191 N CA 0.968 54.033 53.050 0.026 0.000 0.719 1191 N CB -1.030 37.469 38.487 0.021 0.000 1.081 1191 N HN 0.732 nan 8.380 nan 0.000 0.557 1192 D N -0.193 120.268 120.400 0.102 0.000 2.399 1192 D HA 0.214 4.854 4.640 0.001 0.000 0.241 1192 D C 0.472 176.896 176.300 0.207 0.000 1.133 1192 D CA 0.296 54.403 54.000 0.178 0.000 0.890 1192 D CB 0.506 41.482 40.800 0.293 0.000 1.201 1192 D HN 0.146 nan 8.370 nan 0.000 0.432 1193 R N 2.007 122.621 120.500 0.189 0.000 2.688 1193 R HA 0.226 4.567 4.340 0.001 0.000 0.396 1193 R C -0.428 175.934 176.300 0.102 0.000 1.081 1193 R CA -0.489 55.709 56.100 0.163 0.000 1.093 1193 R CB -0.185 30.169 30.300 0.090 0.000 1.338 1193 R HN 0.233 nan 8.270 nan 0.000 0.613 1194 S N 1.275 117.030 115.700 0.092 0.000 2.596 1194 S HA 0.150 4.620 4.470 0.001 0.000 0.260 1194 S C 0.919 175.461 174.600 -0.097 0.000 1.336 1194 S CA -0.229 57.926 58.200 -0.075 0.000 0.993 1194 S CB 0.876 63.931 63.200 -0.241 0.000 0.923 1194 S HN 0.490 nan 8.310 nan 0.000 0.567 1195 S N 0.625 116.261 115.700 -0.107 0.000 2.669 1195 S HA 0.588 5.058 4.470 0.001 0.000 0.270 1195 S C 1.283 175.828 174.600 -0.092 0.000 1.225 1195 S CA -0.387 57.767 58.200 -0.076 0.000 0.991 1195 S CB 0.850 64.017 63.200 -0.055 0.000 0.987 1195 S HN 0.790 nan 8.310 nan 0.000 0.552 1196 A N 0.935 123.721 122.820 -0.056 0.000 1.908 1196 A HA -0.124 4.197 4.320 0.001 0.000 0.218 1196 A C 1.802 179.365 177.584 -0.035 0.000 1.181 1196 A CA 1.877 53.888 52.037 -0.043 0.000 0.627 1196 A CB -1.240 17.750 19.000 -0.017 0.000 0.818 1196 A HN 0.891 nan 8.150 nan 0.000 0.445 1197 D N -0.840 119.541 120.400 -0.032 0.000 2.123 1197 D HA -0.142 4.499 4.640 0.001 0.000 0.196 1197 D C 2.256 178.542 176.300 -0.023 0.000 0.992 1197 D CA 2.160 56.146 54.000 -0.023 0.000 0.833 1197 D CB -0.545 40.242 40.800 -0.023 0.000 0.954 1197 D HN 0.606 nan 8.370 nan 0.000 0.455 1198 T N -0.700 113.826 114.554 -0.047 0.000 2.896 1198 T HA -0.028 4.323 4.350 0.001 0.000 0.263 1198 T C 2.299 177.046 174.700 0.078 0.000 1.050 1198 T CA 0.381 62.461 62.100 -0.033 0.000 1.140 1198 T CB -0.326 68.450 68.868 -0.154 0.000 0.877 1198 T HN 0.069 nan 8.240 nan 0.000 0.457 1199 I N 1.105 121.686 120.570 0.018 0.000 2.208 1199 I HA -0.135 4.036 4.170 0.001 0.000 0.245 1199 I C 2.855 178.993 176.117 0.036 0.000 1.097 1199 I CA 1.389 62.731 61.300 0.069 0.000 1.363 1199 I CB -0.433 37.478 38.000 -0.148 0.000 1.051 1199 I HN 0.296 nan 8.210 nan 0.000 0.413 1200 Q N 1.230 121.039 119.800 0.015 0.000 2.439 1200 Q HA -0.157 4.183 4.340 0.001 0.000 0.211 1200 Q C 1.796 177.788 176.000 -0.014 0.000 0.978 1200 Q CA 1.348 57.158 55.803 0.013 0.000 0.897 1200 Q CB -0.184 28.563 28.738 0.015 0.000 0.956 1200 Q HN 0.343 nan 8.270 nan 0.000 0.483 1201 K N -0.898 119.481 120.400 -0.035 0.000 2.362 1201 K HA 0.090 4.411 4.320 0.001 0.000 0.200 1201 K C 0.677 177.204 176.600 -0.121 0.000 1.046 1201 K CA 0.510 56.775 56.287 -0.037 0.000 0.952 1201 K CB -0.098 32.406 32.500 0.007 0.000 0.753 1201 K HN 0.368 nan 8.250 nan 0.000 0.466 1202 G N 0.370 108.942 108.800 -0.380 0.000 2.728 1202 G HA2 -0.224 3.737 3.960 0.001 0.000 0.294 1202 G HA3 -0.224 3.737 3.960 0.001 0.000 0.294 1202 G C -0.974 173.357 174.900 -0.947 0.000 1.342 1202 G CA -0.853 43.950 45.100 -0.496 0.000 0.866 1202 G HN 0.123 nan 8.290 nan 0.000 0.534 1203 F N -0.224 119.545 119.950 -0.302 0.000 2.730 1203 F HA 0.641 5.168 4.527 0.001 0.000 0.335 1203 F C -0.241 175.473 175.800 -0.143 0.000 1.212 1203 F CA -0.663 57.250 58.000 -0.144 0.000 1.016 1203 F CB 1.735 40.404 39.000 -0.552 0.000 1.290 1203 F HN 0.567 nan 8.300 nan 0.000 0.495 1204 Y N 1.384 121.899 120.300 0.357 0.000 2.570 1204 Y HA 0.621 5.171 4.550 0.001 0.000 0.345 1204 Y C -1.210 174.634 175.900 -0.094 0.000 1.014 1204 Y CA -1.485 56.734 58.100 0.199 0.000 1.063 1204 Y CB 2.418 40.937 38.460 0.098 0.000 1.272 1204 Y HN 0.528 nan 8.280 nan 0.000 0.477 1205 Y N 0.556 120.802 120.300 -0.088 0.000 2.477 1205 Y HA 0.728 5.279 4.550 0.001 0.000 0.347 1205 Y C -1.482 174.522 175.900 0.173 0.000 0.981 1205 Y CA -1.033 56.900 58.100 -0.280 0.000 1.033 1205 Y CB 1.671 39.722 38.460 -0.681 0.000 1.245 1205 Y HN 0.376 nan 8.280 nan 0.000 0.455 1206 V N 4.867 124.803 119.914 0.037 0.000 2.540 1206 V HA 0.309 4.429 4.120 0.001 0.000 0.302 1206 V C -1.132 175.158 176.094 0.326 0.000 1.035 1206 V CA -0.887 61.563 62.300 0.251 0.000 0.873 1206 V CB 1.778 33.666 31.823 0.109 0.000 0.992 1206 V HN 0.717 nan 8.190 nan 0.000 0.428 1207 D N 3.074 123.747 120.400 0.456 0.000 2.414 1207 D HA 0.186 4.826 4.640 0.001 0.000 0.232 1207 D C -1.124 175.423 176.300 0.411 0.000 1.070 1207 D CA -0.291 53.944 54.000 0.392 0.000 0.839 1207 D CB 1.844 42.890 40.800 0.411 0.000 1.079 1207 D HN 0.580 nan 8.370 nan 0.000 0.521 1208 D N 4.108 124.693 120.400 0.309 0.000 2.453 1208 D HA 0.073 4.713 4.640 0.001 0.000 0.223 1208 D C -0.580 175.835 176.300 0.191 0.000 1.183 1208 D CA -0.283 53.864 54.000 0.245 0.000 0.933 1208 D CB -0.401 40.525 40.800 0.210 0.000 1.038 1208 D HN 0.347 nan 8.370 nan 0.000 0.513 1209 Y N 1.356 121.742 120.300 0.142 0.000 2.403 1209 Y HA 0.727 5.277 4.550 0.001 0.000 0.323 1209 Y C -2.473 173.488 175.900 0.101 0.000 1.226 1209 Y CA -3.156 55.005 58.100 0.101 0.000 1.235 1209 Y CB 0.599 39.125 38.460 0.110 0.000 1.248 1209 Y HN 0.100 nan 8.280 nan 0.000 0.489 1210 P HA 0.073 nan 4.420 nan 0.000 0.274 1210 P C 0.064 177.405 177.300 0.067 0.000 1.470 1210 P CA -0.185 62.962 63.100 0.079 0.000 1.001 1210 P CB 0.965 32.768 31.700 0.172 0.000 1.332 1211 E N 3.347 123.489 120.200 -0.097 0.000 2.418 1211 E HA -0.166 4.184 4.350 0.001 0.000 0.197 1211 E C 0.519 177.143 176.600 0.040 0.000 1.026 1211 E CA 1.134 57.544 56.400 0.016 0.000 0.862 1211 E CB -0.264 29.372 29.700 -0.107 0.000 0.799 1211 E HN 0.341 nan 8.360 nan 0.000 0.518 1212 E N 0.595 120.806 120.200 0.018 0.000 2.358 1212 E HA 0.041 4.392 4.350 0.001 0.000 0.195 1212 E C 1.451 178.066 176.600 0.025 0.000 1.010 1212 E CA 1.037 57.452 56.400 0.023 0.000 0.856 1212 E CB 0.247 29.962 29.700 0.026 0.000 0.795 1212 E HN 0.466 nan 8.360 nan 0.000 0.504 1213 A N 0.089 122.918 122.820 0.015 0.000 2.127 1213 A HA 0.292 4.612 4.320 0.001 0.000 0.204 1213 A C 0.961 178.467 177.584 -0.130 0.000 1.243 1213 A CA 0.003 52.010 52.037 -0.049 0.000 0.887 1213 A CB 0.521 19.482 19.000 -0.065 0.000 0.933 1213 A HN 0.047 nan 8.150 nan 0.000 0.479 1214 L N -0.185 120.999 121.223 -0.065 0.000 2.333 1214 L HA 0.603 4.943 4.340 0.001 0.000 0.263 1214 L C -0.918 175.962 176.870 0.017 0.000 1.014 1214 L CA -0.728 54.066 54.840 -0.076 0.000 0.820 1214 L CB 2.067 44.082 42.059 -0.074 0.000 1.352 1214 L HN 0.128 nan 8.230 nan 0.000 0.421 1215 E N 1.407 121.575 120.200 -0.052 0.000 2.222 1215 E HA 0.514 4.864 4.350 0.001 0.000 0.267 1215 E C -1.227 175.287 176.600 -0.144 0.000 0.884 1215 E CA -0.752 55.613 56.400 -0.059 0.000 0.764 1215 E CB 2.658 32.327 29.700 -0.052 0.000 1.169 1215 E HN 0.358 nan 8.360 nan 0.000 0.413 1216 L N 2.464 123.562 121.223 -0.208 0.000 2.456 1216 L HA 0.245 4.586 4.340 0.001 0.000 0.272 1216 L C 0.636 177.416 176.870 -0.151 0.000 1.189 1216 L CA 0.307 55.000 54.840 -0.245 0.000 0.846 1216 L CB 0.235 42.117 42.059 -0.295 0.000 1.111 1216 L HN 0.387 nan 8.230 nan 0.000 0.475 1217 R N 2.042 122.460 120.500 -0.135 0.000 3.050 1217 R HA 0.114 4.455 4.340 0.001 0.000 0.275 1217 R C 0.692 176.952 176.300 -0.066 0.000 1.373 1217 R CA -0.231 55.812 56.100 -0.096 0.000 1.612 1217 R CB 0.682 30.918 30.300 -0.107 0.000 1.218 1217 R HN 0.633 nan 8.270 nan 0.000 0.621 1218 Q N 0.783 120.541 119.800 -0.069 0.000 2.369 1218 Q HA -0.130 4.210 4.340 0.001 0.000 0.206 1218 Q C 0.735 176.725 176.000 -0.016 0.000 0.963 1218 Q CA 1.187 56.960 55.803 -0.049 0.000 0.894 1218 Q CB 0.426 29.114 28.738 -0.084 0.000 0.965 1218 Q HN 0.625 nan 8.270 nan 0.000 0.475 1219 D N -0.568 119.821 120.400 -0.018 0.000 2.363 1219 D HA -0.102 4.538 4.640 0.001 0.000 0.220 1219 D C 1.344 177.654 176.300 0.016 0.000 0.994 1219 D CA 0.342 54.341 54.000 -0.002 0.000 0.890 1219 D CB -0.051 40.743 40.800 -0.010 0.000 0.906 1219 D HN 0.284 nan 8.370 nan 0.000 0.530 1220 L N 0.734 121.969 121.223 0.020 0.000 2.607 1220 L HA 0.180 4.521 4.340 0.001 0.000 0.228 1220 L C 0.476 177.387 176.870 0.068 0.000 1.123 1220 L CA -0.268 54.599 54.840 0.045 0.000 0.890 1220 L CB 0.686 42.774 42.059 0.048 0.000 1.103 1220 L HN -0.185 nan 8.230 nan 0.000 0.468 1221 V N 1.891 121.850 119.914 0.075 0.000 2.529 1221 V HA 0.057 4.178 4.120 0.001 0.000 0.292 1221 V C 0.408 176.562 176.094 0.100 0.000 1.028 1221 V CA 0.524 62.895 62.300 0.119 0.000 1.074 1221 V CB 0.758 32.695 31.823 0.190 0.000 0.958 1221 V HN 0.138 nan 8.190 nan 0.000 0.481 1222 K N 5.349 125.796 120.400 0.078 0.000 2.378 1222 K HA 0.628 4.949 4.320 0.001 0.000 0.252 1222 K C -1.102 175.502 176.600 0.008 0.000 0.931 1222 K CA -0.573 55.741 56.287 0.046 0.000 0.794 1222 K CB 2.285 34.805 32.500 0.035 0.000 1.181 1222 K HN 0.516 nan 8.250 nan 0.000 0.425 1223 I N 2.570 123.141 120.570 0.003 0.000 2.418 1223 I HA 0.270 4.441 4.170 0.001 0.000 0.287 1223 I C 0.246 176.334 176.117 -0.047 0.000 1.008 1223 I CA -0.720 60.554 61.300 -0.043 0.000 1.104 1223 I CB 2.062 40.050 38.000 -0.020 0.000 1.264 1223 I HN 0.573 nan 8.210 nan 0.000 0.438 1224 T N 0.582 115.092 114.554 -0.073 0.000 2.916 1224 T HA 0.622 4.972 4.350 0.001 0.000 0.292 1224 T C -0.806 173.823 174.700 -0.119 0.000 1.055 1224 T CA -0.890 61.168 62.100 -0.070 0.000 1.009 1224 T CB 2.321 71.163 68.868 -0.043 0.000 1.118 1224 T HN 0.541 nan 8.240 nan 0.000 0.497 1225 D N 0.229 120.564 120.400 -0.110 0.000 2.385 1225 D HA 0.551 5.192 4.640 0.001 0.000 0.254 1225 D C 1.355 177.611 176.300 -0.074 0.000 1.053 1225 D CA -0.717 53.199 54.000 -0.141 0.000 0.992 1225 D CB 0.963 41.701 40.800 -0.104 0.000 1.145 1225 D HN 0.659 nan 8.370 nan 0.000 0.523 1226 A N 0.589 123.368 122.820 -0.068 0.000 2.125 1226 A HA -0.180 4.140 4.320 0.001 0.000 0.219 1226 A C 1.493 179.060 177.584 -0.029 0.000 1.156 1226 A CA 0.937 52.949 52.037 -0.043 0.000 0.671 1226 A CB -0.734 18.243 19.000 -0.039 0.000 0.794 1226 A HN 0.554 nan 8.150 nan 0.000 0.459 1227 N N -0.980 117.707 118.700 -0.022 0.000 2.467 1227 N HA 0.111 4.851 4.740 0.001 0.000 0.184 1227 N C 1.253 176.754 175.510 -0.016 0.000 1.106 1227 N CA 1.152 54.192 53.050 -0.017 0.000 0.892 1227 N CB 0.327 38.806 38.487 -0.013 0.000 0.969 1227 N HN 0.646 nan 8.380 nan 0.000 0.454 1228 G N 0.106 108.895 108.800 -0.018 0.000 2.194 1228 G HA2 -0.239 3.722 3.960 0.001 0.000 0.236 1228 G HA3 -0.239 3.722 3.960 0.001 0.000 0.236 1228 G C -0.020 174.874 174.900 -0.011 0.000 0.987 1228 G CA -0.437 44.653 45.100 -0.017 0.000 0.635 1228 G HN 0.263 nan 8.290 nan 0.000 0.520 1229 N N 1.279 119.977 118.700 -0.003 0.000 2.518 1229 N HA 0.285 5.026 4.740 0.001 0.000 0.266 1229 N C 0.361 175.876 175.510 0.009 0.000 1.196 1229 N CA 0.084 53.140 53.050 0.009 0.000 0.947 1229 N CB 1.043 39.546 38.487 0.027 0.000 1.098 1229 N HN 0.663 nan 8.380 nan 0.000 0.450 1230 E N 0.718 120.926 120.200 0.013 0.000 2.404 1230 E HA 0.097 4.448 4.350 0.001 0.000 0.261 1230 E C -0.792 175.828 176.600 0.033 0.000 1.074 1230 E CA -0.382 56.027 56.400 0.014 0.000 0.917 1230 E CB 0.733 30.445 29.700 0.019 0.000 0.965 1230 E HN 0.148 nan 8.360 nan 0.000 0.433 1231 V N 3.970 123.895 119.914 0.018 0.000 2.394 1231 V HA 0.249 4.369 4.120 0.001 0.000 0.282 1231 V C 0.416 176.561 176.094 0.085 0.000 1.031 1231 V CA -0.401 61.926 62.300 0.045 0.000 0.881 1231 V CB 1.162 32.934 31.823 -0.085 0.000 0.982 1231 V HN 0.874 nan 8.190 nan 0.000 0.451 1232 T N 0.641 115.270 114.554 0.125 0.000 2.949 1232 T HA 0.701 5.052 4.350 0.001 0.000 0.287 1232 T C 0.937 175.729 174.700 0.152 0.000 1.034 1232 T CA 0.065 62.233 62.100 0.114 0.000 1.018 1232 T CB 1.682 70.600 68.868 0.084 0.000 1.135 1232 T HN 1.685 nan 8.240 nan 0.000 0.532 1233 G N -0.515 108.364 108.800 0.131 0.000 2.179 1233 G HA2 -0.186 3.775 3.960 0.001 0.000 0.260 1233 G HA3 -0.186 3.775 3.960 0.001 0.000 0.260 1233 G C -0.025 174.976 174.900 0.167 0.000 0.977 1233 G CA 0.030 45.216 45.100 0.143 0.000 0.641 1233 G HN 1.154 nan 8.290 nan 0.000 0.533 1234 V N 2.277 122.301 119.914 0.183 0.000 2.334 1234 V HA 0.644 4.764 4.120 0.001 0.000 0.281 1234 V C 0.685 176.900 176.094 0.202 0.000 1.016 1234 V CA -0.059 62.366 62.300 0.208 0.000 0.832 1234 V CB 1.443 33.433 31.823 0.279 0.000 0.999 1234 V HN 0.811 nan 8.190 nan 0.000 0.439 1235 S N 4.525 120.321 115.700 0.160 0.000 2.646 1235 S HA 0.761 5.231 4.470 0.001 0.000 0.276 1235 S C -0.476 174.177 174.600 0.088 0.000 1.222 1235 S CA -0.718 57.551 58.200 0.115 0.000 1.014 1235 S CB 2.170 65.412 63.200 0.069 0.000 0.991 1235 S HN 0.593 nan 8.310 nan 0.000 0.533 1236 V N 1.115 121.015 119.914 -0.024 0.000 2.604 1236 V HA 0.590 4.710 4.120 0.001 0.000 0.305 1236 V C -1.590 174.350 176.094 -0.257 0.000 1.043 1236 V CA -0.554 61.583 62.300 -0.271 0.000 0.888 1236 V CB 1.679 33.274 31.823 -0.380 0.000 0.995 1236 V HN 1.054 nan 8.190 nan 0.000 0.429 1237 D N 4.279 124.471 120.400 -0.346 0.000 2.819 1237 D HA 0.430 5.071 4.640 0.001 0.000 0.232 1237 D C -1.389 174.547 176.300 -0.606 0.000 1.160 1237 D CA -0.459 53.280 54.000 -0.436 0.000 0.858 1237 D CB 2.138 42.692 40.800 -0.411 0.000 1.610 1237 D HN 0.634 nan 8.370 nan 0.000 0.481 1238 N N 1.549 119.857 118.700 -0.654 0.000 2.372 1238 N HA 0.336 5.076 4.740 0.001 0.000 0.291 1238 N C -1.162 173.897 175.510 -0.753 0.000 1.024 1238 N CA -0.370 52.357 53.050 -0.538 0.000 0.873 1238 N CB 1.658 39.977 38.487 -0.279 0.000 1.206 1238 N HN 0.301 nan 8.380 nan 0.000 0.486 1239 Y N -0.169 119.872 120.300 -0.432 0.000 2.364 1239 Y HA 0.203 4.753 4.550 0.001 0.000 0.340 1239 Y C 1.790 177.460 175.900 -0.384 0.000 0.975 1239 Y CA -0.861 56.943 58.100 -0.495 0.000 1.089 1239 Y CB 1.692 39.650 38.460 -0.836 0.000 1.192 1239 Y HN 0.525 nan 8.280 nan 0.000 0.454 1240 T N -2.409 112.110 114.554 -0.058 0.000 3.055 1240 T HA 0.181 4.532 4.350 0.001 0.000 0.265 1240 T C 0.373 175.066 174.700 -0.010 0.000 1.111 1240 T CA 0.788 62.868 62.100 -0.033 0.000 1.118 1240 T CB -0.207 68.655 68.868 -0.010 0.000 0.909 1240 T HN 0.589 nan 8.240 nan 0.000 0.501 1241 S N -1.293 114.418 115.700 0.018 0.000 2.643 1241 S HA 0.437 4.907 4.470 0.001 0.000 0.266 1241 S C 0.343 175.056 174.600 0.189 0.000 1.130 1241 S CA -0.875 57.389 58.200 0.106 0.000 0.817 1241 S CB 0.569 63.804 63.200 0.058 0.000 1.107 1241 S HN 0.027 nan 8.310 nan 0.000 0.471 1242 L N 0.979 122.353 121.223 0.250 0.000 2.012 1242 L HA -0.134 4.207 4.340 0.001 0.000 0.210 1242 L C 2.899 179.790 176.870 0.035 0.000 1.073 1242 L CA 2.542 57.483 54.840 0.168 0.000 0.748 1242 L CB -0.602 41.478 42.059 0.035 0.000 0.891 1242 L HN 1.042 nan 8.230 nan 0.000 0.431 1243 E N 0.587 120.800 120.200 0.021 0.000 2.130 1243 E HA -0.262 4.088 4.350 0.001 0.000 0.196 1243 E C 1.803 178.397 176.600 -0.010 0.000 0.998 1243 E CA 1.848 58.246 56.400 -0.004 0.000 0.806 1243 E CB -0.159 29.541 29.700 0.001 0.000 0.738 1243 E HN 0.416 nan 8.360 nan 0.000 0.459 1244 A N 0.014 122.838 122.820 0.007 0.000 2.206 1244 A HA 0.428 4.748 4.320 0.001 0.000 0.211 1244 A C 1.201 178.782 177.584 -0.006 0.000 1.158 1244 A CA 0.579 52.630 52.037 0.024 0.000 0.761 1244 A CB -0.453 18.584 19.000 0.062 0.000 0.801 1244 A HN 0.371 nan 8.150 nan 0.000 0.473 1245 A N 1.430 124.152 122.820 -0.163 0.000 2.363 1245 A HA 0.583 4.904 4.320 0.001 0.000 0.270 1245 A C -2.240 175.177 177.584 -0.279 0.000 1.121 1245 A CA -1.633 50.079 52.037 -0.541 0.000 0.800 1245 A CB 0.042 18.647 19.000 -0.657 0.000 1.052 1245 A HN 0.258 nan 8.150 nan 0.000 0.493 1246 P HA 0.016 nan 4.420 nan 0.000 0.270 1246 P C 0.319 177.555 177.300 -0.107 0.000 1.223 1246 P CA 0.016 63.060 63.100 -0.094 0.000 0.785 1246 P CB 0.661 32.348 31.700 -0.021 0.000 0.923 1247 Q N 1.426 121.186 119.800 -0.067 0.000 2.112 1247 Q HA -0.250 4.090 4.340 0.001 0.000 0.206 1247 Q C 2.110 178.065 176.000 -0.075 0.000 0.987 1247 Q CA 2.231 57.993 55.803 -0.068 0.000 0.858 1247 Q CB -0.761 27.950 28.738 -0.045 0.000 0.905 1247 Q HN 0.598 nan 8.270 nan 0.000 0.420 1248 E N -0.649 119.519 120.200 -0.052 0.000 2.065 1248 E HA -0.235 4.115 4.350 0.001 0.000 0.201 1248 E C 1.683 178.216 176.600 -0.110 0.000 1.016 1248 E CA 1.723 58.095 56.400 -0.047 0.000 0.818 1248 E CB -0.158 29.551 29.700 0.014 0.000 0.749 1248 E HN 0.443 nan 8.360 nan 0.000 0.453 1249 I N 0.962 121.453 120.570 -0.130 0.000 2.252 1249 I HA -0.207 3.964 4.170 0.001 0.000 0.245 1249 I C 2.528 178.514 176.117 -0.219 0.000 1.102 1249 I CA 1.174 62.355 61.300 -0.198 0.000 1.385 1249 I CB -1.139 36.728 38.000 -0.222 0.000 1.064 1249 I HN 0.186 nan 8.210 nan 0.000 0.414 1250 R N 0.677 121.068 120.500 -0.182 0.000 2.096 1250 R HA -0.176 4.165 4.340 0.001 0.000 0.235 1250 R C 1.799 177.995 176.300 -0.173 0.000 1.127 1250 R CA 1.435 57.432 56.100 -0.171 0.000 0.968 1250 R CB -0.337 29.886 30.300 -0.130 0.000 0.861 1250 R HN 0.395 nan 8.270 nan 0.000 0.440 1251 D N 0.321 120.630 120.400 -0.151 0.000 2.097 1251 D HA -0.094 4.546 4.640 0.001 0.000 0.197 1251 D C 2.070 178.266 176.300 -0.175 0.000 0.984 1251 D CA 0.851 54.769 54.000 -0.137 0.000 0.826 1251 D CB -0.257 40.483 40.800 -0.101 0.000 0.973 1251 D HN -0.050 nan 8.370 nan 0.000 0.460 1252 V N 1.196 120.969 119.914 -0.234 0.000 2.287 1252 V HA -0.246 3.874 4.120 0.001 0.000 0.248 1252 V C 2.654 178.569 176.094 -0.297 0.000 1.053 1252 V CA 1.319 63.433 62.300 -0.311 0.000 1.027 1252 V CB -0.517 30.945 31.823 -0.602 0.000 0.646 1252 V HN 0.198 nan 8.190 nan 0.000 0.447 1253 L N 0.608 121.641 121.223 -0.317 0.000 2.017 1253 L HA -0.161 4.179 4.340 0.001 0.000 0.208 1253 L C 2.706 179.412 176.870 -0.274 0.000 1.073 1253 L CA 1.980 56.620 54.840 -0.332 0.000 0.745 1253 L CB -0.776 41.051 42.059 -0.387 0.000 0.894 1253 L HN 0.551 nan 8.230 nan 0.000 0.432 1254 S N -0.639 114.928 115.700 -0.222 0.000 2.406 1254 S HA -0.152 4.318 4.470 0.001 0.000 0.228 1254 S C 1.912 176.422 174.600 -0.150 0.000 1.020 1254 S CA 0.679 58.772 58.200 -0.178 0.000 0.965 1254 S CB -0.254 62.859 63.200 -0.144 0.000 0.798 1254 S HN 0.328 nan 8.310 nan 0.000 0.488 1255 K N 1.410 121.723 120.400 -0.144 0.000 2.217 1255 K HA 0.215 4.535 4.320 0.001 0.000 0.202 1255 K C 1.932 178.458 176.600 -0.124 0.000 1.051 1255 K CA 0.912 57.130 56.287 -0.116 0.000 0.952 1255 K CB -0.257 32.183 32.500 -0.099 0.000 0.736 1255 K HN 0.507 nan 8.250 nan 0.000 0.453 1256 A N 0.299 123.022 122.820 -0.161 0.000 2.275 1256 A HA 0.229 4.549 4.320 0.001 0.000 0.212 1256 A C 1.125 178.602 177.584 -0.178 0.000 1.201 1256 A CA 0.528 52.464 52.037 -0.169 0.000 0.843 1256 A CB -0.190 18.696 19.000 -0.189 0.000 0.873 1256 A HN 0.332 nan 8.150 nan 0.000 0.492 1257 G N -0.301 108.396 108.800 -0.171 0.000 2.246 1257 G HA2 -0.230 3.730 3.960 0.001 0.000 0.273 1257 G HA3 -0.230 3.730 3.960 0.001 0.000 0.273 1257 G C -0.100 174.673 174.900 -0.212 0.000 1.055 1257 G CA 0.569 45.575 45.100 -0.158 0.000 0.851 1257 G HN 0.527 nan 8.290 nan 0.000 0.500 1258 I N -0.466 119.914 120.570 -0.316 0.000 2.389 1258 I HA 0.473 4.644 4.170 0.001 0.000 0.288 1258 I C 0.451 176.297 176.117 -0.453 0.000 0.999 1258 I CA -0.894 60.103 61.300 -0.504 0.000 1.129 1258 I CB 1.956 39.478 38.000 -0.797 0.000 1.288 1258 I HN 0.153 nan 8.210 nan 0.000 0.444 1259 R N 7.853 128.122 120.500 -0.384 0.000 2.352 1259 R HA 0.494 4.834 4.340 0.001 0.000 0.304 1259 R C -2.669 173.449 176.300 -0.304 0.000 1.104 1259 R CA -1.417 54.493 56.100 -0.316 0.000 0.991 1259 R CB 0.995 31.177 30.300 -0.196 0.000 1.140 1259 R HN 0.271 nan 8.270 nan 0.000 0.540 1260 P HA 0.047 nan 4.420 nan 0.000 0.268 1260 P C -1.162 176.051 177.300 -0.145 0.000 1.205 1260 P CA -0.112 62.794 63.100 -0.323 0.000 0.771 1260 P CB 0.649 31.947 31.700 -0.670 0.000 0.858 1261 K N 2.279 122.645 120.400 -0.056 0.000 2.276 1261 K HA 0.475 4.795 4.320 0.001 0.000 0.285 1261 K C 1.183 177.781 176.600 -0.005 0.000 1.062 1261 K CA -0.160 56.112 56.287 -0.025 0.000 0.918 1261 K CB 0.485 32.978 32.500 -0.012 0.000 1.055 1261 K HN 0.718 nan 8.250 nan 0.000 0.477 1262 G N 2.808 111.614 108.800 0.010 0.000 2.622 1262 G HA2 -0.360 3.600 3.960 0.001 0.000 0.307 1262 G HA3 -0.360 3.600 3.960 0.001 0.000 0.307 1262 G C -0.119 174.820 174.900 0.066 0.000 1.226 1262 G CA -0.076 45.030 45.100 0.010 0.000 0.997 1262 G HN 0.846 nan 8.290 nan 0.000 0.551 1263 A N 0.042 122.811 122.820 -0.086 0.000 2.302 1263 A HA 0.895 5.215 4.320 0.001 0.000 0.285 1263 A C -0.263 177.237 177.584 -0.140 0.000 1.105 1263 A CA 0.769 52.719 52.037 -0.144 0.000 0.816 1263 A CB 0.413 19.256 19.000 -0.262 0.000 1.067 1263 A HN 2.126 nan 8.150 nan 0.000 0.489 1264 F N -1.548 118.384 119.950 -0.029 0.000 2.668 1264 F HA 0.612 5.140 4.527 0.001 0.000 0.309 1264 F C -0.746 175.232 175.800 0.297 0.000 1.117 1264 F CA -0.992 57.093 58.000 0.142 0.000 0.951 1264 F CB 1.076 40.126 39.000 0.083 0.000 1.323 1264 F HN 0.563 nan 8.300 nan 0.000 0.451 1265 Q N 2.393 122.437 119.800 0.406 0.000 2.235 1265 Q HA 0.651 4.992 4.340 0.001 0.000 0.256 1265 Q C -1.174 174.966 176.000 0.234 0.000 0.951 1265 Q CA -1.070 54.803 55.803 0.117 0.000 0.890 1265 Q CB 2.720 31.455 28.738 -0.005 0.000 1.279 1265 Q HN 0.506 nan 8.270 nan 0.000 0.444 1266 I N 2.393 122.996 120.570 0.056 0.000 2.436 1266 I HA 0.359 4.529 4.170 0.001 0.000 0.289 1266 I C -0.913 175.169 176.117 -0.059 0.000 1.010 1266 I CA -0.551 60.871 61.300 0.203 0.000 1.098 1266 I CB 0.988 39.228 38.000 0.401 0.000 1.266 1266 I HN 0.552 nan 8.210 nan 0.000 0.434 1267 F N 5.459 125.566 119.950 0.261 0.000 2.427 1267 F HA 0.543 5.071 4.527 0.001 0.000 0.346 1267 F C 0.634 176.580 175.800 0.242 0.000 1.120 1267 F CA -0.604 57.530 58.000 0.224 0.000 1.033 1267 F CB 1.292 40.423 39.000 0.217 0.000 1.126 1267 F HN 0.342 nan 8.300 nan 0.000 0.462 1268 R N 2.552 123.230 120.500 0.297 0.000 2.513 1268 R HA 0.762 5.102 4.340 0.001 0.000 0.301 1268 R C -1.097 175.202 176.300 -0.001 0.000 0.968 1268 R CA -0.847 55.306 56.100 0.088 0.000 0.872 1268 R CB 1.433 31.806 30.300 0.122 0.000 1.177 1268 R HN 0.769 nan 8.270 nan 0.000 0.444 1269 A N 3.689 126.401 122.820 -0.179 0.000 2.484 1269 A HA 0.086 4.407 4.320 0.001 0.000 0.268 1269 A C 0.262 177.811 177.584 -0.059 0.000 1.114 1269 A CA -0.245 51.695 52.037 -0.161 0.000 0.780 1269 A CB 0.201 18.932 19.000 -0.448 0.000 1.061 1269 A HN 0.906 nan 8.150 nan 0.000 0.505 1270 D N 0.996 121.416 120.400 0.033 0.000 2.144 1270 D HA -0.081 4.559 4.640 0.001 0.000 0.200 1270 D C 0.323 176.656 176.300 0.055 0.000 0.978 1270 D CA 1.445 55.473 54.000 0.047 0.000 0.833 1270 D CB 0.174 41.014 40.800 0.067 0.000 0.961 1270 D HN 0.574 nan 8.370 nan 0.000 0.470 1271 N N -0.322 118.429 118.700 0.084 0.000 2.573 1271 N HA 0.131 4.872 4.740 0.001 0.000 0.262 1271 N C -2.247 173.360 175.510 0.162 0.000 1.029 1271 N CA -1.759 51.353 53.050 0.102 0.000 0.882 1271 N CB 2.156 40.698 38.487 0.091 0.000 1.204 1271 N HN -0.269 nan 8.380 nan 0.000 0.519 1272 P HA -0.116 nan 4.420 nan 0.000 0.215 1272 P C 1.282 178.806 177.300 0.372 0.000 1.153 1272 P CA 1.087 64.380 63.100 0.321 0.000 0.853 1272 P CB 0.459 32.283 31.700 0.206 0.000 0.788 1273 R N 0.885 121.525 120.500 0.234 0.000 2.075 1273 R HA -0.143 4.197 4.340 0.001 0.000 0.232 1273 R C 2.180 178.592 176.300 0.187 0.000 1.126 1273 R CA 1.964 58.191 56.100 0.212 0.000 0.963 1273 R CB -1.474 28.903 30.300 0.127 0.000 0.858 1273 R HN 0.150 nan 8.270 nan 0.000 0.435 1274 E N -0.876 119.403 120.200 0.132 0.000 2.051 1274 E HA -0.232 4.118 4.350 0.001 0.000 0.192 1274 E C 1.749 178.357 176.600 0.012 0.000 0.991 1274 E CA 1.470 57.904 56.400 0.058 0.000 0.799 1274 E CB -0.344 29.392 29.700 0.059 0.000 0.748 1274 E HN 0.419 nan 8.360 nan 0.000 0.449 1275 F N 0.348 120.258 119.950 -0.067 0.000 2.095 1275 F HA -0.257 4.270 4.527 0.001 0.000 0.298 1275 F C 2.219 177.820 175.800 -0.331 0.000 1.104 1275 F CA 1.943 59.846 58.000 -0.162 0.000 1.232 1275 F CB -0.545 38.343 39.000 -0.187 0.000 0.987 1275 F HN 0.160 nan 8.300 nan 0.000 0.475 1276 Y N 1.317 121.486 120.300 -0.219 0.000 2.097 1276 Y HA -0.281 4.269 4.550 0.001 0.000 0.282 1276 Y C 2.264 178.023 175.900 -0.235 0.000 1.152 1276 Y CA 2.275 60.212 58.100 -0.272 0.000 1.136 1276 Y CB -0.806 37.700 38.460 0.076 0.000 0.975 1276 Y HN 0.062 nan 8.280 nan 0.000 0.498 1277 D N -1.069 119.259 120.400 -0.119 0.000 2.178 1277 D HA -0.128 4.512 4.640 0.001 0.000 0.201 1277 D C 2.045 178.116 176.300 -0.382 0.000 0.980 1277 D CA 1.873 55.749 54.000 -0.206 0.000 0.842 1277 D CB -0.251 40.511 40.800 -0.063 0.000 0.948 1277 D HN 0.414 nan 8.370 nan 0.000 0.472 1278 T N -0.881 113.343 114.554 -0.549 0.000 2.976 1278 T HA -0.037 4.314 4.350 0.001 0.000 0.257 1278 T C 1.175 175.301 174.700 -0.956 0.000 1.051 1278 T CA 0.797 62.396 62.100 -0.835 0.000 1.141 1278 T CB 0.066 68.185 68.868 -1.247 0.000 0.881 1278 T HN 0.185 nan 8.240 nan 0.000 0.461 1279 Y N -0.765 119.170 120.300 -0.609 0.000 2.572 1279 Y HA 0.404 4.955 4.550 0.001 0.000 0.274 1279 Y C 2.076 177.629 175.900 -0.578 0.000 1.135 1279 Y CA -0.627 57.085 58.100 -0.647 0.000 1.230 1279 Y CB -0.151 37.724 38.460 -0.974 0.000 1.293 1279 Y HN -0.077 nan 8.280 nan 0.000 0.501 1280 V N 1.832 121.417 119.914 -0.549 0.000 2.249 1280 V HA -0.222 3.898 4.120 0.001 0.000 0.239 1280 V C 2.256 178.165 176.094 -0.309 0.000 1.038 1280 V CA 2.277 64.339 62.300 -0.397 0.000 1.005 1280 V CB -0.682 30.867 31.823 -0.455 0.000 0.646 1280 V HN 0.382 nan 8.190 nan 0.000 0.455 1281 K N 1.387 121.414 120.400 -0.620 0.000 2.442 1281 K HA -0.157 4.163 4.320 0.001 0.000 0.198 1281 K C 1.491 177.970 176.600 -0.203 0.000 1.044 1281 K CA 1.826 57.873 56.287 -0.400 0.000 0.948 1281 K CB -0.528 31.660 32.500 -0.520 0.000 0.762 1281 K HN 0.632 nan 8.250 nan 0.000 0.472 1282 T N -3.259 111.164 114.554 -0.218 0.000 3.069 1282 T HA 0.232 4.582 4.350 0.001 0.000 0.252 1282 T C 1.115 175.762 174.700 -0.088 0.000 1.053 1282 T CA 0.029 62.045 62.100 -0.141 0.000 0.964 1282 T CB 0.219 68.986 68.868 -0.169 0.000 1.005 1282 T HN 0.370 nan 8.240 nan 0.000 0.532 1283 G N 2.195 110.957 108.800 -0.063 0.000 2.371 1283 G HA2 -0.215 3.745 3.960 0.001 0.000 0.299 1283 G HA3 -0.215 3.745 3.960 0.001 0.000 0.299 1283 G C -0.077 174.797 174.900 -0.042 0.000 1.014 1283 G CA 0.036 45.124 45.100 -0.020 0.000 1.097 1283 G HN 0.713 nan 8.290 nan 0.000 0.512 1284 I N 1.039 121.570 120.570 -0.065 0.000 2.291 1284 I HA 0.165 4.335 4.170 0.001 0.000 0.290 1284 I C -0.050 176.007 176.117 -0.100 0.000 1.050 1284 I CA -0.903 60.364 61.300 -0.055 0.000 1.245 1284 I CB 0.680 38.684 38.000 0.006 0.000 1.405 1284 I HN 0.024 nan 8.210 nan 0.000 0.478 1285 D N 7.110 127.469 120.400 -0.067 0.000 2.423 1285 D HA 0.269 4.909 4.640 0.001 0.000 0.238 1285 D C -0.010 176.217 176.300 -0.121 0.000 1.142 1285 D CA 0.319 54.286 54.000 -0.055 0.000 0.884 1285 D CB 1.210 42.008 40.800 -0.004 0.000 1.199 1285 D HN 0.292 nan 8.370 nan 0.000 0.438 1286 L N 1.242 122.396 121.223 -0.115 0.000 2.334 1286 L HA 0.423 4.763 4.340 0.001 0.000 0.272 1286 L C 0.539 177.365 176.870 -0.073 0.000 1.020 1286 L CA -0.869 53.874 54.840 -0.161 0.000 0.812 1286 L CB 1.430 43.351 42.059 -0.229 0.000 1.264 1286 L HN 0.084 nan 8.230 nan 0.000 0.439 1287 K N 3.068 123.404 120.400 -0.106 0.000 2.394 1287 K HA 0.536 4.857 4.320 0.001 0.000 0.260 1287 K C -1.295 175.218 176.600 -0.144 0.000 0.967 1287 K CA -0.476 55.752 56.287 -0.098 0.000 0.855 1287 K CB 1.241 33.704 32.500 -0.062 0.000 1.101 1287 K HN 0.533 nan 8.250 nan 0.000 0.433 1288 I N 4.613 125.047 120.570 -0.226 0.000 2.330 1288 I HA 0.191 4.361 4.170 0.001 0.000 0.289 1288 I C -0.324 175.701 176.117 -0.152 0.000 1.001 1288 I CA -1.066 60.055 61.300 -0.299 0.000 1.193 1288 I CB 1.825 39.427 38.000 -0.664 0.000 1.345 1288 I HN 0.185 nan 8.210 nan 0.000 0.461 1289 V N 5.208 125.088 119.914 -0.057 0.000 2.383 1289 V HA 0.270 4.391 4.120 0.001 0.000 0.275 1289 V C 0.263 176.408 176.094 0.085 0.000 1.036 1289 V CA -0.192 62.135 62.300 0.044 0.000 0.889 1289 V CB 1.454 33.323 31.823 0.077 0.000 0.985 1289 V HN 0.761 nan 8.190 nan 0.000 0.459 1290 S N 7.069 122.852 115.700 0.138 0.000 2.395 1290 S HA 0.493 4.963 4.470 0.001 0.000 0.207 1290 S C -2.701 171.965 174.600 0.110 0.000 1.454 1290 S CA -1.243 57.057 58.200 0.167 0.000 1.211 1290 S CB 0.933 64.291 63.200 0.262 0.000 1.093 1290 S HN 0.534 nan 8.310 nan 0.000 0.472 1291 P HA 0.372 nan 4.420 nan 0.000 0.275 1291 P C -0.865 176.312 177.300 -0.204 0.000 1.227 1291 P CA -0.070 62.904 63.100 -0.211 0.000 0.781 1291 P CB 0.565 32.084 31.700 -0.302 0.000 0.906 1292 M N 2.022 121.453 119.600 -0.281 0.000 2.271 1292 M HA 0.320 4.801 4.480 0.001 0.000 0.285 1292 M C -0.855 175.294 176.300 -0.252 0.000 1.059 1292 M CA -0.992 54.180 55.300 -0.214 0.000 0.940 1292 M CB 2.656 35.200 32.600 -0.093 0.000 1.636 1292 M HN 0.005 nan 8.290 nan 0.000 0.460 1293 V N 4.123 123.919 119.914 -0.197 0.000 2.567 1293 V HA 0.442 4.562 4.120 0.001 0.000 0.289 1293 V C -0.299 175.704 176.094 -0.153 0.000 1.049 1293 V CA -0.491 61.708 62.300 -0.167 0.000 0.969 1293 V CB 1.775 33.526 31.823 -0.120 0.000 0.995 1293 V HN 0.651 nan 8.190 nan 0.000 0.471 1294 V N 7.870 127.701 119.914 -0.139 0.000 2.479 1294 V HA 0.158 4.278 4.120 0.001 0.000 0.281 1294 V C 0.713 176.763 176.094 -0.073 0.000 1.031 1294 V CA -0.261 61.957 62.300 -0.137 0.000 1.038 1294 V CB 0.485 32.270 31.823 -0.064 0.000 0.981 1294 V HN 0.911 nan 8.190 nan 0.000 0.478 1295 K N 4.000 124.357 120.400 -0.071 0.000 2.489 1295 K HA -0.036 4.284 4.320 0.001 0.000 0.278 1295 K C 1.338 177.925 176.600 -0.022 0.000 1.000 1295 K CA 0.051 56.313 56.287 -0.041 0.000 1.012 1295 K CB 0.561 33.044 32.500 -0.028 0.000 0.903 1295 K HN 0.637 nan 8.250 nan 0.000 0.485 1296 K N 2.823 123.200 120.400 -0.037 0.000 2.127 1296 K HA -0.344 3.976 4.320 0.001 0.000 0.208 1296 K C 1.967 178.561 176.600 -0.010 0.000 1.047 1296 K CA 1.988 58.245 56.287 -0.051 0.000 0.927 1296 K CB 0.041 32.473 32.500 -0.112 0.000 0.716 1296 K HN 0.615 nan 8.250 nan 0.000 0.450 1297 Q N -0.288 119.508 119.800 -0.006 0.000 2.135 1297 Q HA -0.194 4.146 4.340 0.001 0.000 0.204 1297 Q C 1.893 177.922 176.000 0.048 0.000 0.981 1297 Q CA 1.703 57.515 55.803 0.016 0.000 0.856 1297 Q CB -0.008 28.735 28.738 0.008 0.000 0.902 1297 Q HN 0.380 nan 8.270 nan 0.000 0.425 1298 M N -0.597 119.034 119.600 0.052 0.000 2.279 1298 M HA -0.069 4.411 4.480 0.001 0.000 0.264 1298 M C 2.093 178.456 176.300 0.105 0.000 1.062 1298 M CA 1.414 56.761 55.300 0.079 0.000 1.099 1298 M CB -1.030 31.621 32.600 0.085 0.000 1.394 1298 M HN 0.388 nan 8.290 nan 0.000 0.426 1299 G N -0.445 108.440 108.800 0.141 0.000 2.484 1299 G HA2 -0.147 3.813 3.960 0.001 0.000 0.218 1299 G HA3 -0.147 3.813 3.960 0.001 0.000 0.218 1299 G C 1.499 176.536 174.900 0.227 0.000 1.130 1299 G CA 0.178 45.415 45.100 0.228 0.000 0.784 1299 G HN 0.427 nan 8.290 nan 0.000 0.543 1300 Q N 0.294 120.203 119.800 0.181 0.000 2.269 1300 Q HA -0.043 4.297 4.340 0.001 0.000 0.201 1300 Q C 2.606 178.649 176.000 0.072 0.000 0.946 1300 Q CA 1.683 57.565 55.803 0.132 0.000 0.877 1300 Q CB -0.171 28.623 28.738 0.094 0.000 0.963 1300 Q HN 0.661 nan 8.270 nan 0.000 0.472 1301 T N -3.412 111.180 114.554 0.063 0.000 3.000 1301 T HA 0.393 4.744 4.350 0.001 0.000 0.248 1301 T C 0.990 175.716 174.700 0.043 0.000 1.034 1301 T CA 0.508 62.636 62.100 0.046 0.000 1.060 1301 T CB 0.497 69.392 68.868 0.045 0.000 0.983 1301 T HN 0.390 nan 8.240 nan 0.000 0.482 1302 G N -0.018 108.814 108.800 0.054 0.000 2.829 1302 G HA2 0.396 4.356 3.960 0.001 0.000 0.628 1302 G HA3 0.396 4.356 3.960 0.001 0.000 0.628 1302 G C 0.028 174.969 174.900 0.069 0.000 1.412 1302 G CA -0.584 44.548 45.100 0.053 0.000 0.864 1302 G HN 1.919 nan 8.290 nan 0.000 0.544 1303 G N -1.721 107.123 108.800 0.074 0.000 2.361 1303 G HA2 0.608 4.569 3.960 0.001 0.000 0.305 1303 G HA3 0.608 4.569 3.960 0.001 0.000 0.305 1303 G C -0.568 174.387 174.900 0.092 0.000 1.367 1303 G CA 0.582 45.731 45.100 0.082 0.000 0.951 1303 G HN 1.840 nan 8.290 nan 0.000 0.615 1304 S N -0.717 115.029 115.700 0.075 0.000 2.638 1304 S HA 0.912 5.382 4.470 0.001 0.000 0.298 1304 S C -0.955 173.717 174.600 0.121 0.000 1.111 1304 S CA -0.398 57.812 58.200 0.017 0.000 1.027 1304 S CB 1.238 64.429 63.200 -0.014 0.000 1.064 1304 S HN 1.224 nan 8.310 nan 0.000 0.525 1305 Y N -0.757 119.584 120.300 0.069 0.000 2.562 1305 Y HA 0.757 5.307 4.550 0.001 0.000 0.345 1305 Y C -0.904 175.051 175.900 0.092 0.000 1.045 1305 Y CA -1.222 56.928 58.100 0.082 0.000 1.028 1305 Y CB 0.885 39.409 38.460 0.106 0.000 1.297 1305 Y HN 0.673 nan 8.280 nan 0.000 0.463 1306 E N 1.358 121.708 120.200 0.249 0.000 2.317 1306 E HA 0.542 4.893 4.350 0.001 0.000 0.270 1306 E C -1.874 174.833 176.600 0.179 0.000 0.885 1306 E CA -1.175 55.324 56.400 0.165 0.000 0.760 1306 E CB 2.660 32.399 29.700 0.064 0.000 1.227 1306 E HN 0.606 nan 8.360 nan 0.000 0.434 1307 N N 1.291 120.047 118.700 0.094 0.000 2.269 1307 N HA 0.232 4.972 4.740 0.001 0.000 0.304 1307 N C -1.713 173.743 175.510 -0.089 0.000 1.072 1307 N CA -0.427 52.601 53.050 -0.038 0.000 0.802 1307 N CB 1.969 40.233 38.487 -0.370 0.000 1.348 1307 N HN 0.565 nan 8.380 nan 0.000 0.484 1308 Q N 1.777 121.535 119.800 -0.071 0.000 2.345 1308 Q HA 0.777 5.117 4.340 0.001 0.000 0.275 1308 Q C -1.787 174.136 176.000 -0.128 0.000 1.063 1308 Q CA -0.923 54.802 55.803 -0.130 0.000 0.819 1308 Q CB 1.849 30.496 28.738 -0.150 0.000 1.356 1308 Q HN 0.697 nan 8.270 nan 0.000 0.418 1309 A N 2.264 124.944 122.820 -0.233 0.000 2.346 1309 A HA 0.881 5.202 4.320 0.001 0.000 0.313 1309 A C -1.866 175.372 177.584 -0.576 0.000 1.140 1309 A CA -0.405 51.512 52.037 -0.199 0.000 0.826 1309 A CB 1.073 20.074 19.000 0.002 0.000 1.332 1309 A HN 0.681 nan 8.150 nan 0.000 0.457 1310 Y N -0.412 119.616 120.300 -0.453 0.000 2.504 1310 Y HA 0.459 5.010 4.550 0.001 0.000 0.344 1310 Y C 0.025 175.423 175.900 -0.836 0.000 1.023 1310 Y CA -0.711 57.128 58.100 -0.436 0.000 1.020 1310 Y CB 2.116 40.414 38.460 -0.269 0.000 1.282 1310 Y HN 0.811 nan 8.280 nan 0.000 0.454 1311 Q N 3.039 122.595 119.800 -0.406 0.000 2.266 1311 Q HA 0.782 5.122 4.340 0.001 0.000 0.261 1311 Q C -1.492 174.557 176.000 0.081 0.000 0.985 1311 Q CA -0.804 54.773 55.803 -0.376 0.000 0.873 1311 Q CB 2.394 30.993 28.738 -0.232 0.000 1.306 1311 Q HN 0.747 nan 8.270 nan 0.000 0.447 1312 I N 2.758 123.416 120.570 0.148 0.000 2.466 1312 I HA 0.299 4.470 4.170 0.001 0.000 0.279 1312 I C -1.292 175.041 176.117 0.360 0.000 1.033 1312 I CA -0.846 60.586 61.300 0.221 0.000 1.123 1312 I CB 1.545 39.622 38.000 0.129 0.000 1.237 1312 I HN 0.573 nan 8.210 nan 0.000 0.460 1313 D N 6.997 127.646 120.400 0.415 0.000 2.303 1313 D HA 0.377 5.017 4.640 0.001 0.000 0.236 1313 D C 0.246 176.571 176.300 0.042 0.000 1.068 1313 D CA -0.295 53.840 54.000 0.224 0.000 0.830 1313 D CB 1.357 42.470 40.800 0.522 0.000 1.109 1313 D HN 0.408 nan 8.370 nan 0.000 0.496 1314 F N 1.355 121.161 119.950 -0.239 0.000 3.034 1314 F HA -0.223 4.304 4.527 0.001 0.000 0.286 1314 F C 1.533 177.284 175.800 -0.081 0.000 0.804 1314 F CA 0.780 58.651 58.000 -0.215 0.000 1.161 1314 F CB -1.995 36.951 39.000 -0.090 0.000 1.317 1314 F HN 0.703 nan 8.300 nan 0.000 0.453 1315 G N -1.083 107.755 108.800 0.063 0.000 2.175 1315 G HA2 -0.305 3.655 3.960 0.001 0.000 0.244 1315 G HA3 -0.305 3.655 3.960 0.001 0.000 0.244 1315 G C 0.066 174.971 174.900 0.008 0.000 0.982 1315 G CA 0.012 45.131 45.100 0.033 0.000 0.641 1315 G HN 0.503 nan 8.290 nan 0.000 0.527 1316 N N 1.204 119.938 118.700 0.056 0.000 2.455 1316 N HA 0.519 5.260 4.740 0.001 0.000 0.280 1316 N C 0.481 175.836 175.510 -0.259 0.000 1.055 1316 N CA 0.634 53.632 53.050 -0.087 0.000 0.961 1316 N CB 1.550 40.036 38.487 -0.002 0.000 1.121 1316 N HN 0.458 nan 8.380 nan 0.000 0.476 1317 G N 1.233 109.810 108.800 -0.372 0.000 2.348 1317 G HA2 0.521 4.482 3.960 0.001 0.000 0.312 1317 G HA3 0.521 4.482 3.960 0.001 0.000 0.312 1317 G C -1.297 173.313 174.900 -0.485 0.000 1.126 1317 G CA -0.241 44.679 45.100 -0.299 0.000 0.865 1317 G HN 0.423 nan 8.290 nan 0.000 0.474 1318 Y N 0.326 120.701 120.300 0.126 0.000 2.406 1318 Y HA 0.599 5.150 4.550 0.001 0.000 0.340 1318 Y C 0.409 176.346 175.900 0.062 0.000 0.975 1318 Y CA -0.885 57.282 58.100 0.112 0.000 1.056 1318 Y CB 2.293 40.826 38.460 0.121 0.000 1.210 1318 Y HN 0.776 nan 8.280 nan 0.000 0.448 1319 A N 1.863 124.768 122.820 0.142 0.000 2.312 1319 A HA 0.708 5.028 4.320 0.001 0.000 0.326 1319 A C 0.156 177.636 177.584 -0.173 0.000 1.172 1319 A CA -0.473 51.454 52.037 -0.183 0.000 0.821 1319 A CB 0.534 19.425 19.000 -0.182 0.000 1.166 1319 A HN 0.778 nan 8.150 nan 0.000 0.493 1320 S N 2.301 117.812 115.700 -0.314 0.000 2.681 1320 S HA 0.315 4.785 4.470 0.001 0.000 0.270 1320 S C 0.345 174.863 174.600 -0.137 0.000 1.209 1320 S CA -0.583 57.525 58.200 -0.153 0.000 0.988 1320 S CB 0.267 63.389 63.200 -0.130 0.000 1.006 1320 S HN 0.918 nan 8.310 nan 0.000 0.558 1321 N N 0.203 118.862 118.700 -0.068 0.000 2.340 1321 N HA 0.114 4.855 4.740 0.001 0.000 0.236 1321 N C -0.537 174.929 175.510 -0.072 0.000 1.296 1321 N CA -0.177 52.840 53.050 -0.056 0.000 0.896 1321 N CB -0.053 38.420 38.487 -0.024 0.000 1.127 1321 N HN 0.706 nan 8.380 nan 0.000 0.442 1322 I N 0.416 120.954 120.570 -0.054 0.000 2.377 1322 I HA 0.181 4.352 4.170 0.001 0.000 0.293 1322 I C -0.421 175.685 176.117 -0.018 0.000 0.987 1322 I CA -1.115 60.156 61.300 -0.047 0.000 1.185 1322 I CB 1.773 39.751 38.000 -0.036 0.000 1.341 1322 I HN 0.170 nan 8.210 nan 0.000 0.455 1323 V N 7.599 127.509 119.914 -0.008 0.000 2.370 1323 V HA 0.440 4.560 4.120 0.001 0.000 0.283 1323 V C 0.115 176.237 176.094 0.046 0.000 1.023 1323 V CA -0.415 61.907 62.300 0.037 0.000 0.857 1323 V CB 1.584 33.461 31.823 0.090 0.000 0.985 1323 V HN 0.476 nan 8.190 nan 0.000 0.443 1324 I N 4.972 125.545 120.570 0.004 0.000 2.460 1324 I HA 0.517 4.687 4.170 0.001 0.000 0.298 1324 I C -0.191 175.838 176.117 -0.148 0.000 0.989 1324 I CA -0.310 60.951 61.300 -0.066 0.000 1.173 1324 I CB 1.942 39.908 38.000 -0.057 0.000 1.338 1324 I HN 0.649 nan 8.210 nan 0.000 0.456 1325 N N 3.227 121.688 118.700 -0.399 0.000 2.571 1325 N HA 0.495 5.236 4.740 0.001 0.000 0.273 1325 N C -1.541 173.646 175.510 -0.538 0.000 1.340 1325 N CA -1.000 51.772 53.050 -0.464 0.000 0.789 1325 N CB 1.792 39.963 38.487 -0.528 0.000 1.514 1325 N HN 0.710 nan 8.380 nan 0.000 0.499 1326 N N -1.673 116.863 118.700 -0.273 0.000 2.405 1326 N HA 0.725 5.465 4.740 0.001 0.000 0.285 1326 N C -1.928 173.594 175.510 0.021 0.000 1.262 1326 N CA -0.799 52.176 53.050 -0.125 0.000 0.773 1326 N CB 1.705 40.159 38.487 -0.055 0.000 1.490 1326 N HN 0.134 nan 8.380 nan 0.000 0.486 1327 V N 0.577 120.547 119.914 0.095 0.000 2.495 1327 V HA 0.592 4.712 4.120 0.001 0.000 0.298 1327 V C -2.323 173.811 176.094 0.066 0.000 1.031 1327 V CA -1.607 60.767 62.300 0.125 0.000 0.871 1327 V CB 1.403 33.336 31.823 0.184 0.000 0.988 1327 V HN 0.753 nan 8.190 nan 0.000 0.432 1328 P HA 0.245 nan 4.420 nan 0.000 0.280 1328 P C -0.761 176.525 177.300 -0.023 0.000 1.244 1328 P CA -0.655 62.445 63.100 0.000 0.000 0.784 1328 P CB 0.704 32.390 31.700 -0.023 0.000 0.913 1329 K N 3.895 124.279 120.400 -0.028 0.000 2.378 1329 K HA 0.165 4.485 4.320 0.001 0.000 0.288 1329 K C -0.305 176.214 176.600 -0.135 0.000 1.057 1329 K CA -0.395 55.864 56.287 -0.048 0.000 0.971 1329 K CB 0.023 32.512 32.500 -0.019 0.000 0.975 1329 K HN 0.348 nan 8.250 nan 0.000 0.475 1330 I N 4.360 124.756 120.570 -0.289 0.000 2.291 1330 I HA 0.046 4.216 4.170 0.001 0.000 0.292 1330 I C -0.013 175.899 176.117 -0.341 0.000 1.064 1330 I CA -0.364 60.637 61.300 -0.498 0.000 1.269 1330 I CB 0.216 37.435 38.000 -1.302 0.000 1.418 1330 I HN 0.550 nan 8.210 nan 0.000 0.485 1331 N N 8.996 127.589 118.700 -0.179 0.000 2.898 1331 N HA 0.383 5.124 4.740 0.001 0.000 0.245 1331 N C -2.686 172.796 175.510 -0.047 0.000 1.185 1331 N CA -1.798 51.201 53.050 -0.084 0.000 0.879 1331 N CB 0.902 39.367 38.487 -0.036 0.000 1.157 1331 N HN 0.181 nan 8.380 nan 0.000 0.503 1332 P HA 0.132 nan 4.420 nan 0.000 0.268 1332 P C -0.890 176.458 177.300 0.080 0.000 1.204 1332 P CA 0.257 63.358 63.100 0.001 0.000 0.768 1332 P CB 0.650 32.232 31.700 -0.197 0.000 0.842 1333 K N 2.141 122.664 120.400 0.203 0.000 2.324 1333 K HA 0.460 4.781 4.320 0.001 0.000 0.253 1333 K C -0.369 176.388 176.600 0.262 0.000 0.932 1333 K CA -0.888 55.511 56.287 0.187 0.000 0.799 1333 K CB 2.303 34.874 32.500 0.118 0.000 1.154 1333 K HN 0.234 nan 8.250 nan 0.000 0.425 1334 K N 2.465 122.988 120.400 0.205 0.000 2.307 1334 K HA 0.230 4.551 4.320 0.001 0.000 0.263 1334 K C -1.204 175.468 176.600 0.119 0.000 0.973 1334 K CA -0.470 55.917 56.287 0.166 0.000 0.846 1334 K CB 0.867 33.468 32.500 0.169 0.000 1.100 1334 K HN 0.456 nan 8.250 nan 0.000 0.438 1335 D N 1.641 122.103 120.400 0.102 0.000 2.467 1335 D HA 0.429 5.069 4.640 0.001 0.000 0.245 1335 D C -0.973 175.449 176.300 0.203 0.000 1.038 1335 D CA -0.498 53.573 54.000 0.118 0.000 1.038 1335 D CB 1.935 42.778 40.800 0.071 0.000 1.278 1335 D HN 0.173 nan 8.370 nan 0.000 0.564 1336 V N 0.283 120.317 119.914 0.201 0.000 2.531 1336 V HA 0.652 4.772 4.120 0.001 0.000 0.301 1336 V C 0.067 176.261 176.094 0.167 0.000 1.034 1336 V CA -0.719 61.725 62.300 0.242 0.000 0.865 1336 V CB 1.425 33.392 31.823 0.239 0.000 0.995 1336 V HN 0.788 nan 8.190 nan 0.000 0.424 1337 T N 1.407 116.077 114.554 0.194 0.000 2.901 1337 T HA 0.719 5.070 4.350 0.001 0.000 0.293 1337 T C 0.422 175.224 174.700 0.170 0.000 1.084 1337 T CA -0.748 61.454 62.100 0.170 0.000 1.008 1337 T CB 1.923 70.926 68.868 0.225 0.000 1.170 1337 T HN 0.266 nan 8.240 nan 0.000 0.509 1338 L N -0.177 121.113 121.223 0.112 0.000 2.408 1338 L HA 0.307 4.647 4.340 0.001 0.000 0.215 1338 L C 1.414 178.319 176.870 0.058 0.000 1.081 1338 L CA 0.048 54.943 54.840 0.092 0.000 0.840 1338 L CB -0.028 42.061 42.059 0.050 0.000 1.002 1338 L HN 0.693 nan 8.230 nan 0.000 0.468 1339 T N -0.292 114.288 114.554 0.045 0.000 2.918 1339 T HA 0.385 4.735 4.350 0.001 0.000 0.286 1339 T C -0.168 174.483 174.700 -0.080 0.000 1.026 1339 T CA -0.404 61.685 62.100 -0.017 0.000 1.031 1339 T CB 1.740 70.593 68.868 -0.026 0.000 1.046 1339 T HN -0.132 nan 8.240 nan 0.000 0.479 1340 L N 3.186 124.289 121.223 -0.200 0.000 2.783 1340 L HA 0.422 4.762 4.340 0.001 0.000 0.236 1340 L C 0.031 176.558 176.870 -0.572 0.000 1.225 1340 L CA 0.257 54.812 54.840 -0.475 0.000 1.026 1340 L CB -0.401 41.470 42.059 -0.313 0.000 1.314 1340 L HN 0.514 nan 8.230 nan 0.000 0.489 1341 D N -0.306 119.879 120.400 -0.357 0.000 2.443 1341 D HA 0.257 4.897 4.640 0.001 0.000 0.221 1341 D C -1.746 174.411 176.300 -0.237 0.000 1.097 1341 D CA -2.099 51.731 54.000 -0.285 0.000 0.865 1341 D CB 1.876 42.588 40.800 -0.147 0.000 1.034 1341 D HN 0.043 nan 8.370 nan 0.000 0.511 1342 P HA -0.077 nan 4.420 nan 0.000 0.220 1342 P C 0.952 178.194 177.300 -0.098 0.000 1.148 1342 P CA 0.829 63.802 63.100 -0.213 0.000 0.803 1342 P CB 0.317 31.729 31.700 -0.480 0.000 0.782 1343 A N -0.365 122.385 122.820 -0.116 0.000 1.969 1343 A HA -0.122 4.198 4.320 0.001 0.000 0.218 1343 A C 1.176 178.741 177.584 -0.032 0.000 1.169 1343 A CA 0.824 52.825 52.037 -0.060 0.000 0.635 1343 A CB -1.379 17.584 19.000 -0.061 0.000 0.810 1343 A HN 0.144 nan 8.150 nan 0.000 0.445 1344 D N 0.204 120.583 120.400 -0.035 0.000 2.401 1344 D HA 0.188 4.829 4.640 0.001 0.000 0.254 1344 D C 1.222 177.535 176.300 0.021 0.000 1.192 1344 D CA 0.940 54.935 54.000 -0.008 0.000 0.885 1344 D CB 0.833 41.626 40.800 -0.012 0.000 1.147 1344 D HN 0.248 nan 8.370 nan 0.000 0.478 1345 T N 0.666 115.233 114.554 0.021 0.000 3.144 1345 T HA 0.068 4.419 4.350 0.001 0.000 0.249 1345 T C 0.845 175.568 174.700 0.039 0.000 1.089 1345 T CA -0.685 61.434 62.100 0.031 0.000 0.989 1345 T CB -0.294 68.587 68.868 0.023 0.000 0.992 1345 T HN 0.197 nan 8.240 nan 0.000 0.540 1346 N N 3.201 121.925 118.700 0.039 0.000 2.454 1346 N HA 0.172 4.912 4.740 0.001 0.000 0.254 1346 N C -0.771 174.773 175.510 0.056 0.000 1.228 1346 N CA 0.189 53.264 53.050 0.041 0.000 0.900 1346 N CB 0.304 38.812 38.487 0.035 0.000 1.089 1346 N HN 0.352 nan 8.380 nan 0.000 0.449 1347 N N 2.302 121.032 118.700 0.051 0.000 2.371 1347 N HA 0.281 5.022 4.740 0.001 0.000 0.291 1347 N C -0.833 174.709 175.510 0.053 0.000 1.053 1347 N CA -0.489 52.598 53.050 0.062 0.000 0.870 1347 N CB 1.441 39.963 38.487 0.059 0.000 1.503 1347 N HN 0.210 nan 8.380 nan 0.000 0.485 1348 V N 1.559 121.508 119.914 0.059 0.000 3.483 1348 V HA 0.116 4.236 4.120 0.001 0.000 0.301 1348 V C 0.098 176.217 176.094 0.040 0.000 1.389 1348 V CA -0.199 62.123 62.300 0.035 0.000 1.101 1348 V CB -0.563 31.268 31.823 0.013 0.000 0.971 1348 V HN 0.666 nan 8.190 nan 0.000 0.434 1349 D N 0.771 121.212 120.400 0.069 0.000 2.533 1349 D HA 0.273 4.913 4.640 0.001 0.000 0.236 1349 D C 1.347 177.679 176.300 0.052 0.000 1.137 1349 D CA 1.867 55.914 54.000 0.079 0.000 0.867 1349 D CB 0.964 41.818 40.800 0.088 0.000 1.170 1349 D HN 0.348 nan 8.370 nan 0.000 0.474 1350 G N 3.678 112.507 108.800 0.049 0.000 2.812 1350 G HA2 -0.311 3.649 3.960 0.001 0.000 0.219 1350 G HA3 -0.311 3.649 3.960 0.001 0.000 0.219 1350 G C 0.628 175.539 174.900 0.019 0.000 1.275 1350 G CA 0.439 45.559 45.100 0.033 0.000 0.769 1350 G HN 0.626 nan 8.290 nan 0.000 0.527 1351 Q N 1.055 120.863 119.800 0.012 0.000 2.967 1351 Q HA 0.444 4.784 4.340 0.001 0.000 0.201 1351 Q C 0.597 176.590 176.000 -0.012 0.000 1.148 1351 Q CA 1.100 56.903 55.803 -0.001 0.000 1.177 1351 Q CB 0.056 28.792 28.738 -0.004 0.000 1.323 1351 Q HN 0.646 nan 8.270 nan 0.000 0.676 1352 T N -1.344 113.197 114.554 -0.021 0.000 2.855 1352 T HA 0.680 5.030 4.350 0.001 0.000 0.281 1352 T C -0.198 174.468 174.700 -0.055 0.000 1.007 1352 T CA -0.813 61.270 62.100 -0.028 0.000 1.009 1352 T CB 0.729 69.588 68.868 -0.014 0.000 0.983 1352 T HN 0.337 nan 8.240 nan 0.000 0.455 1353 I N 2.888 123.409 120.570 -0.081 0.000 2.362 1353 I HA 0.352 4.522 4.170 0.001 0.000 0.289 1353 I C -2.603 173.472 176.117 -0.071 0.000 0.994 1353 I CA -2.837 58.384 61.300 -0.131 0.000 1.158 1353 I CB 1.646 39.454 38.000 -0.320 0.000 1.315 1353 I HN 0.330 nan 8.210 nan 0.000 0.451 1354 P HA 0.085 nan 4.420 nan 0.000 0.268 1354 P C -0.230 177.068 177.300 -0.003 0.000 1.205 1354 P CA -0.433 62.658 63.100 -0.015 0.000 0.771 1354 P CB 0.664 32.358 31.700 -0.010 0.000 0.858 1355 L N 4.023 125.256 121.223 0.016 0.000 2.514 1355 L HA 0.007 4.348 4.340 0.001 0.000 0.280 1355 L C 1.057 177.946 176.870 0.032 0.000 1.223 1355 L CA 0.984 55.843 54.840 0.032 0.000 0.864 1355 L CB -0.616 41.467 42.059 0.039 0.000 1.118 1355 L HN 0.455 nan 8.230 nan 0.000 0.494 1356 N N 0.959 119.686 118.700 0.046 0.000 2.936 1356 N HA -0.193 4.548 4.740 0.001 0.000 0.236 1356 N C -0.071 175.476 175.510 0.063 0.000 0.930 1356 N CA 1.304 54.383 53.050 0.049 0.000 0.966 1356 N CB -1.533 36.971 38.487 0.029 0.000 1.090 1356 N HN 0.777 nan 8.380 nan 0.000 0.592 1357 T N 1.262 115.857 114.554 0.069 0.000 2.934 1357 T HA 0.184 4.534 4.350 0.001 0.000 0.306 1357 T C 0.757 175.563 174.700 0.175 0.000 1.042 1357 T CA 0.003 62.156 62.100 0.089 0.000 1.145 1357 T CB 1.404 70.303 68.868 0.051 0.000 0.982 1357 T HN -0.051 nan 8.240 nan 0.000 0.544 1358 V N 6.038 126.026 119.914 0.123 0.000 2.406 1358 V HA 0.517 4.637 4.120 0.001 0.000 0.272 1358 V C -0.055 176.131 176.094 0.153 0.000 1.043 1358 V CA -0.297 62.059 62.300 0.093 0.000 0.915 1358 V CB -0.498 31.329 31.823 0.007 0.000 0.988 1358 V HN 0.792 nan 8.190 nan 0.000 0.466 1359 F N 3.433 123.328 119.950 -0.093 0.000 2.814 1359 F HA 0.724 5.252 4.527 0.001 0.000 0.353 1359 F C -0.391 175.330 175.800 -0.130 0.000 1.177 1359 F CA -1.248 56.687 58.000 -0.108 0.000 1.036 1359 F CB 1.736 40.656 39.000 -0.134 0.000 1.455 1359 F HN 0.280 nan 8.300 nan 0.000 0.520 1360 N N -0.459 118.179 118.700 -0.105 0.000 2.225 1360 N HA 0.256 4.997 4.740 0.001 0.000 0.298 1360 N C -2.141 173.291 175.510 -0.131 0.000 1.076 1360 N CA -0.516 52.428 53.050 -0.176 0.000 0.792 1360 N CB 2.222 40.804 38.487 0.159 0.000 1.498 1360 N HN 0.463 nan 8.380 nan 0.000 0.474 1361 Y N 0.826 121.094 120.300 -0.054 0.000 2.316 1361 Y HA 0.238 4.789 4.550 0.001 0.000 0.331 1361 Y C 0.889 176.704 175.900 -0.141 0.000 1.083 1361 Y CA -0.378 57.703 58.100 -0.031 0.000 1.206 1361 Y CB 0.764 39.178 38.460 -0.076 0.000 1.195 1361 Y HN 0.259 nan 8.280 nan 0.000 0.497 1362 R N 4.836 125.324 120.500 -0.019 0.000 2.247 1362 R HA 0.457 4.797 4.340 0.001 0.000 0.329 1362 R C -1.734 174.416 176.300 -0.251 0.000 1.014 1362 R CA -0.413 55.465 56.100 -0.371 0.000 0.907 1362 R CB -0.015 30.054 30.300 -0.384 0.000 1.146 1362 R HN 0.739 nan 8.270 nan 0.000 0.499 1363 L N 6.999 128.008 121.223 -0.358 0.000 2.288 1363 L HA 0.393 4.733 4.340 0.001 0.000 0.283 1363 L C -0.038 176.756 176.870 -0.126 0.000 1.072 1363 L CA -0.455 54.100 54.840 -0.475 0.000 0.862 1363 L CB 0.915 42.443 42.059 -0.886 0.000 1.245 1363 L HN 0.519 nan 8.230 nan 0.000 0.432 1364 I N 2.809 123.441 120.570 0.104 0.000 2.337 1364 I HA 0.222 4.392 4.170 0.001 0.000 0.291 1364 I C 1.239 177.598 176.117 0.403 0.000 1.046 1364 I CA -0.107 61.334 61.300 0.235 0.000 1.324 1364 I CB 1.177 39.266 38.000 0.149 0.000 1.409 1364 I HN 0.584 nan 8.210 nan 0.000 0.494 1365 G N 4.355 113.447 108.800 0.485 0.000 2.636 1365 G HA2 0.378 4.339 3.960 0.001 0.000 0.246 1365 G HA3 0.378 4.339 3.960 0.001 0.000 0.246 1365 G C 0.373 175.399 174.900 0.211 0.000 1.216 1365 G CA -0.362 44.963 45.100 0.374 0.000 0.854 1365 G HN 0.748 nan 8.290 nan 0.000 0.572 1366 G N -1.123 107.702 108.800 0.041 0.000 2.569 1366 G HA2 0.433 4.393 3.960 0.001 0.000 0.249 1366 G HA3 0.433 4.393 3.960 0.001 0.000 0.249 1366 G C -0.045 174.902 174.900 0.079 0.000 1.216 1366 G CA -0.695 44.386 45.100 -0.031 0.000 0.845 1366 G HN 0.615 nan 8.290 nan 0.000 0.568 1367 I N 0.997 121.575 120.570 0.014 0.000 2.325 1367 I HA 0.223 4.394 4.170 0.001 0.000 0.291 1367 I C -0.094 176.025 176.117 0.002 0.000 1.019 1367 I CA -0.167 61.150 61.300 0.029 0.000 1.302 1367 I CB 1.271 39.277 38.000 0.010 0.000 1.401 1367 I HN 0.161 nan 8.210 nan 0.000 0.485 1368 I N 8.783 129.370 120.570 0.028 0.000 2.328 1368 I HA 0.299 4.469 4.170 0.001 0.000 0.287 1368 I C -2.233 173.873 176.117 -0.020 0.000 1.012 1368 I CA -1.932 59.339 61.300 -0.050 0.000 1.195 1368 I CB 1.089 39.024 38.000 -0.107 0.000 1.350 1368 I HN 0.242 nan 8.210 nan 0.000 0.464 1369 P HA 0.144 nan 4.420 nan 0.000 0.272 1369 P C -0.184 177.226 177.300 0.183 0.000 1.240 1369 P CA -0.335 62.808 63.100 0.072 0.000 0.791 1369 P CB 0.614 32.347 31.700 0.055 0.000 0.978 1370 A N 1.636 124.540 122.820 0.139 0.000 2.455 1370 A HA 0.027 4.347 4.320 0.001 0.000 0.244 1370 A C 0.955 178.605 177.584 0.109 0.000 1.099 1370 A CA 0.379 52.494 52.037 0.130 0.000 0.786 1370 A CB -1.082 17.953 19.000 0.060 0.000 1.051 1370 A HN 0.879 nan 8.150 nan 0.000 0.508 1371 N N -0.356 118.351 118.700 0.012 0.000 2.738 1371 N HA -0.195 4.546 4.740 0.001 0.000 0.249 1371 N C 0.132 175.644 175.510 0.003 0.000 1.047 1371 N CA 0.633 53.664 53.050 -0.031 0.000 0.707 1371 N CB -1.039 37.446 38.487 -0.002 0.000 0.937 1371 N HN 0.995 nan 8.380 nan 0.000 0.545 1372 H N -1.610 117.461 119.070 0.002 0.000 2.523 1372 H HA 0.391 4.948 4.556 0.001 0.000 0.345 1372 H C 1.084 176.417 175.328 0.009 0.000 1.261 1372 H CA 0.155 56.207 56.048 0.007 0.000 1.343 1372 H CB 1.191 30.957 29.762 0.007 0.000 1.650 1372 H HN 0.174 nan 8.280 nan 0.000 0.591 1373 S N -0.986 114.808 115.700 0.157 0.000 2.492 1373 S HA 0.074 4.544 4.470 0.001 0.000 0.218 1373 S C 0.481 175.134 174.600 0.088 0.000 1.016 1373 S CA -0.127 58.121 58.200 0.080 0.000 0.916 1373 S CB 0.356 63.614 63.200 0.096 0.000 0.791 1373 S HN 0.676 nan 8.310 nan 0.000 0.513 1374 E N 0.586 120.889 120.200 0.170 0.000 2.392 1374 E HA 0.287 4.637 4.350 0.001 0.000 0.269 1374 E C -1.122 175.580 176.600 0.168 0.000 0.924 1374 E CA -0.675 55.813 56.400 0.148 0.000 0.784 1374 E CB 1.631 31.428 29.700 0.162 0.000 1.292 1374 E HN 0.312 nan 8.360 nan 0.000 0.447 1375 E N 1.486 121.756 120.200 0.118 0.000 2.398 1375 E HA 0.110 4.460 4.350 0.001 0.000 0.263 1375 E C -0.096 176.552 176.600 0.080 0.000 1.046 1375 E CA 0.036 56.488 56.400 0.087 0.000 0.908 1375 E CB 0.710 30.455 29.700 0.075 0.000 0.963 1375 E HN 0.349 nan 8.360 nan 0.000 0.431 1376 L N 3.027 124.223 121.223 -0.046 0.000 2.367 1376 L HA 0.074 4.415 4.340 0.001 0.000 0.275 1376 L C 0.742 177.567 176.870 -0.075 0.000 1.129 1376 L CA -0.028 54.695 54.840 -0.195 0.000 0.839 1376 L CB 0.014 41.824 42.059 -0.414 0.000 1.133 1376 L HN 0.626 nan 8.230 nan 0.000 0.453 1377 F N -0.164 119.749 119.950 -0.061 0.000 2.871 1377 F HA 0.455 4.982 4.527 0.000 0.000 0.344 1377 F C 0.185 176.001 175.800 0.027 0.000 1.078 1377 F CA -0.624 57.362 58.000 -0.023 0.000 1.149 1377 F CB 0.303 39.300 39.000 -0.005 0.000 1.087 1377 F HN 0.356 nan 8.300 nan 0.000 0.557 1378 E N 0.144 120.170 120.200 -0.291 0.000 2.321 1378 E HA 0.384 4.734 4.350 0.001 0.000 0.278 1378 E C -2.218 174.383 176.600 0.003 0.000 0.902 1378 E CA -0.786 55.582 56.400 -0.053 0.000 0.758 1378 E CB 2.332 31.996 29.700 -0.060 0.000 1.213 1378 E HN 0.234 nan 8.360 nan 0.000 0.426 1379 Y N 4.133 124.442 120.300 0.017 0.000 2.347 1379 Y HA 0.359 4.910 4.550 0.001 0.000 0.339 1379 Y C -1.553 174.440 175.900 0.154 0.000 1.152 1379 Y CA -0.706 57.415 58.100 0.035 0.000 1.321 1379 Y CB 0.601 39.081 38.460 0.032 0.000 1.137 1379 Y HN 0.475 nan 8.280 nan 0.000 0.486 1380 N N 3.796 122.499 118.700 0.006 0.000 2.459 1380 N HA 0.527 5.267 4.740 0.001 0.000 0.288 1380 N C -1.641 173.806 175.510 -0.105 0.000 1.186 1380 N CA -0.493 52.615 53.050 0.097 0.000 0.917 1380 N CB 1.320 39.887 38.487 0.133 0.000 1.219 1380 N HN 0.382 nan 8.380 nan 0.000 0.525 1381 F N 0.964 121.040 119.950 0.209 0.000 2.500 1381 F HA 0.264 4.791 4.527 0.000 0.000 0.349 1381 F C -0.572 175.371 175.800 0.238 0.000 1.127 1381 F CA -0.994 57.170 58.000 0.272 0.000 0.998 1381 F CB 0.943 39.961 39.000 0.029 0.000 1.237 1381 F HN 0.351 nan 8.300 nan 0.000 0.439 1382 Y N 3.571 124.075 120.300 0.340 0.000 2.341 1382 Y HA 0.510 5.060 4.550 0.001 0.000 0.337 1382 Y C -1.006 175.022 175.900 0.213 0.000 1.014 1382 Y CA -0.750 57.460 58.100 0.184 0.000 1.111 1382 Y CB 1.088 39.602 38.460 0.090 0.000 1.194 1382 Y HN 0.503 nan 8.280 nan 0.000 0.462 1383 D N 5.372 125.402 120.400 -0.617 0.000 2.386 1383 D HA 0.077 4.718 4.640 0.001 0.000 0.247 1383 D C -1.774 174.228 176.300 -0.496 0.000 1.336 1383 D CA -0.348 53.410 54.000 -0.403 0.000 0.976 1383 D CB 0.899 41.617 40.800 -0.137 0.000 1.257 1383 D HN 0.690 nan 8.370 nan 0.000 0.570 1384 D N 4.063 124.134 120.400 -0.549 0.000 2.468 1384 D HA 0.076 4.716 4.640 0.001 0.000 0.218 1384 D C -0.171 176.039 176.300 -0.150 0.000 1.155 1384 D CA -0.254 53.553 54.000 -0.322 0.000 0.924 1384 D CB -0.275 40.442 40.800 -0.139 0.000 1.029 1384 D HN 0.370 nan 8.370 nan 0.000 0.515 1385 Y N 0.279 120.501 120.300 -0.130 0.000 2.344 1385 Y HA 0.465 5.015 4.550 0.001 0.000 0.330 1385 Y C 0.344 176.249 175.900 0.007 0.000 1.330 1385 Y CA -1.263 56.800 58.100 -0.061 0.000 1.479 1385 Y CB 0.361 38.803 38.460 -0.029 0.000 1.428 1385 Y HN 0.008 nan 8.280 nan 0.000 0.544 1386 D N 1.244 121.760 120.400 0.194 0.000 2.456 1386 D HA 0.031 4.672 4.640 0.001 0.000 0.219 1386 D C 0.586 176.959 176.300 0.121 0.000 1.126 1386 D CA -0.599 53.475 54.000 0.123 0.000 0.890 1386 D CB 0.691 41.633 40.800 0.237 0.000 1.025 1386 D HN 0.683 nan 8.370 nan 0.000 0.511 1387 Q N 2.074 121.885 119.800 0.018 0.000 2.541 1387 Q HA -0.081 4.260 4.340 0.001 0.000 0.215 1387 Q C 0.689 176.722 176.000 0.055 0.000 0.977 1387 Q CA 0.659 56.523 55.803 0.101 0.000 0.934 1387 Q CB -0.507 28.260 28.738 0.048 0.000 0.988 1387 Q HN 0.283 nan 8.270 nan 0.000 0.521 1388 T N 0.387 114.960 114.554 0.032 0.000 2.867 1388 T HA -0.025 4.325 4.350 0.001 0.000 0.268 1388 T C 1.512 176.107 174.700 -0.175 0.000 1.057 1388 T CA 1.596 63.725 62.100 0.048 0.000 1.136 1388 T CB -0.100 68.914 68.868 0.242 0.000 0.874 1388 T HN 0.659 nan 8.240 nan 0.000 0.466 1389 G N -0.081 108.298 108.800 -0.701 0.000 2.815 1389 G HA2 0.158 4.118 3.960 0.001 0.000 0.215 1389 G HA3 0.158 4.118 3.960 0.001 0.000 0.215 1389 G C -0.455 174.167 174.900 -0.463 0.000 1.054 1389 G CA -0.277 44.073 45.100 -1.249 0.000 0.832 1389 G HN 0.276 nan 8.290 nan 0.000 0.557 1390 D N 0.298 120.604 120.400 -0.157 0.000 2.425 1390 D HA 0.366 5.006 4.640 0.001 0.000 0.240 1390 D C -1.300 175.142 176.300 0.238 0.000 1.080 1390 D CA -0.404 53.669 54.000 0.123 0.000 0.836 1390 D CB 1.727 42.703 40.800 0.292 0.000 1.125 1390 D HN 0.247 nan 8.370 nan 0.000 0.525 1391 H N 1.817 120.920 119.070 0.055 0.000 2.541 1391 H HA 0.218 4.774 4.556 0.001 0.000 0.316 1391 H C -1.220 174.100 175.328 -0.013 0.000 1.043 1391 H CA -0.759 55.335 56.048 0.078 0.000 1.232 1391 H CB 0.358 30.138 29.762 0.029 0.000 1.406 1391 H HN 0.276 nan 8.280 nan 0.000 0.469 1392 Y N 4.756 124.712 120.300 -0.573 0.000 2.605 1392 Y HA 0.075 4.625 4.550 0.000 0.000 0.336 1392 Y C 1.304 176.785 175.900 -0.698 0.000 1.111 1392 Y CA 0.460 58.199 58.100 -0.601 0.000 1.422 1392 Y CB 0.669 38.874 38.460 -0.424 0.000 1.193 1392 Y HN 0.836 nan 8.280 nan 0.000 0.526 1393 T N 1.639 115.660 114.554 -0.888 0.000 3.160 1393 T HA 0.184 4.535 4.350 0.001 0.000 0.257 1393 T C 1.426 175.660 174.700 -0.776 0.000 1.147 1393 T CA 0.519 62.223 62.100 -0.660 0.000 1.064 1393 T CB -0.686 67.964 68.868 -0.364 0.000 0.949 1393 T HN 1.387 nan 8.240 nan 0.000 0.526 1394 G N 1.151 109.004 108.800 -1.578 0.000 2.176 1394 G HA2 -0.252 3.709 3.960 0.001 0.000 0.253 1394 G HA3 -0.252 3.709 3.960 0.001 0.000 0.253 1394 G C -0.176 174.406 174.900 -0.529 0.000 0.979 1394 G CA 0.222 44.698 45.100 -1.040 0.000 0.641 1394 G HN 1.064 nan 8.290 nan 0.000 0.530 1395 Q N -0.751 118.748 119.800 -0.502 0.000 2.337 1395 Q HA 0.751 5.091 4.340 0.001 0.000 0.270 1395 Q C -0.641 175.437 176.000 0.131 0.000 1.043 1395 Q CA -1.321 54.419 55.803 -0.105 0.000 0.794 1395 Q CB 1.824 30.464 28.738 -0.162 0.000 1.281 1395 Q HN 1.163 nan 8.270 nan 0.000 0.446 1396 Y N -0.292 120.023 120.300 0.024 0.000 2.588 1396 Y HA 0.746 5.297 4.550 0.001 0.000 0.343 1396 Y C -1.722 174.130 175.900 -0.080 0.000 1.065 1396 Y CA -1.080 57.025 58.100 0.010 0.000 1.038 1396 Y CB 2.059 40.523 38.460 0.006 0.000 1.297 1396 Y HN 0.648 nan 8.280 nan 0.000 0.467 1397 K N 1.880 122.240 120.400 -0.065 0.000 2.477 1397 K HA 0.781 5.101 4.320 0.001 0.000 0.255 1397 K C -1.904 174.573 176.600 -0.205 0.000 0.952 1397 K CA -1.201 54.906 56.287 -0.299 0.000 0.826 1397 K CB 3.140 35.461 32.500 -0.298 0.000 1.331 1397 K HN 0.575 nan 8.250 nan 0.000 0.437 1398 V N 2.618 122.238 119.914 -0.490 0.000 2.638 1398 V HA 0.540 4.661 4.120 0.001 0.000 0.306 1398 V C -1.317 174.464 176.094 -0.522 0.000 1.052 1398 V CA -0.857 61.248 62.300 -0.326 0.000 0.885 1398 V CB 1.167 32.878 31.823 -0.186 0.000 0.999 1398 V HN 0.572 nan 8.190 nan 0.000 0.424 1399 F N 1.844 121.880 119.950 0.144 0.000 2.551 1399 F HA 0.800 5.328 4.527 0.000 0.000 0.316 1399 F C 0.617 176.498 175.800 0.135 0.000 1.089 1399 F CA -0.833 57.249 58.000 0.137 0.000 0.915 1399 F CB 1.774 40.854 39.000 0.133 0.000 1.186 1399 F HN 0.593 nan 8.300 nan 0.000 0.456 1400 A N 2.161 125.146 122.820 0.274 0.000 2.445 1400 A HA 0.303 4.623 4.320 0.001 0.000 0.242 1400 A C 0.803 178.447 177.584 0.100 0.000 1.075 1400 A CA -0.153 51.947 52.037 0.105 0.000 0.777 1400 A CB 0.405 19.454 19.000 0.082 0.000 1.013 1400 A HN 0.971 nan 8.150 nan 0.000 0.493 1401 K N 0.654 121.055 120.400 0.002 0.000 2.402 1401 K HA 0.329 4.650 4.320 0.001 0.000 0.204 1401 K C -0.246 176.349 176.600 -0.009 0.000 1.056 1401 K CA 0.520 56.822 56.287 0.026 0.000 1.069 1401 K CB 0.386 32.916 32.500 0.050 0.000 0.888 1401 K HN 0.754 nan 8.250 nan 0.000 0.546 1402 V N -2.126 117.759 119.914 -0.048 0.000 3.160 1402 V HA 0.481 4.602 4.120 0.001 0.000 0.310 1402 V C -1.083 175.000 176.094 -0.017 0.000 1.181 1402 V CA -1.327 60.956 62.300 -0.028 0.000 1.047 1402 V CB 1.576 33.376 31.823 -0.039 0.000 1.068 1402 V HN -0.144 nan 8.190 nan 0.000 0.441 1403 D N 1.433 121.838 120.400 0.007 0.000 2.424 1403 D HA 0.525 5.165 4.640 0.001 0.000 0.244 1403 D C -0.359 175.958 176.300 0.027 0.000 1.134 1403 D CA 0.766 54.780 54.000 0.024 0.000 0.881 1403 D CB 0.742 41.559 40.800 0.028 0.000 1.191 1403 D HN 0.596 nan 8.370 nan 0.000 0.445 1404 I N 2.578 123.177 120.570 0.048 0.000 2.509 1404 I HA 0.385 4.556 4.170 0.001 0.000 0.293 1404 I C -0.252 175.903 176.117 0.062 0.000 1.020 1404 I CA -0.828 60.516 61.300 0.072 0.000 1.088 1404 I CB 1.627 39.699 38.000 0.120 0.000 1.267 1404 I HN 0.077 nan 8.210 nan 0.000 0.430 1405 I N 6.141 126.737 120.570 0.043 0.000 2.433 1405 I HA 0.395 4.566 4.170 0.001 0.000 0.292 1405 I C -0.253 175.853 176.117 -0.017 0.000 1.001 1405 I CA -0.478 60.833 61.300 0.018 0.000 1.119 1405 I CB 1.543 39.550 38.000 0.011 0.000 1.289 1405 I HN 0.285 nan 8.210 nan 0.000 0.438 1406 L N 5.323 126.533 121.223 -0.022 0.000 2.439 1406 L HA 0.362 4.702 4.340 0.001 0.000 0.259 1406 L C 1.465 178.306 176.870 -0.049 0.000 1.129 1406 L CA -0.683 54.121 54.840 -0.060 0.000 0.803 1406 L CB 0.738 42.772 42.059 -0.043 0.000 1.161 1406 L HN 0.630 nan 8.230 nan 0.000 0.462 1407 K N 0.973 121.334 120.400 -0.065 0.000 2.103 1407 K HA -0.187 4.133 4.320 0.001 0.000 0.207 1407 K C 1.375 177.958 176.600 -0.028 0.000 1.048 1407 K CA 1.846 58.102 56.287 -0.051 0.000 0.930 1407 K CB -0.191 32.276 32.500 -0.055 0.000 0.716 1407 K HN 0.649 nan 8.250 nan 0.000 0.444 1408 N N -0.352 118.338 118.700 -0.017 0.000 2.521 1408 N HA -0.016 4.725 4.740 0.001 0.000 0.188 1408 N C 0.963 176.475 175.510 0.004 0.000 1.146 1408 N CA 1.039 54.088 53.050 -0.002 0.000 0.893 1408 N CB 0.384 38.877 38.487 0.010 0.000 0.975 1408 N HN 0.281 nan 8.380 nan 0.000 0.451 1409 G N -1.081 107.718 108.800 -0.000 0.000 2.199 1409 G HA2 -0.281 3.679 3.960 0.001 0.000 0.254 1409 G HA3 -0.281 3.679 3.960 0.001 0.000 0.254 1409 G C -0.144 174.767 174.900 0.018 0.000 0.982 1409 G CA 0.193 45.296 45.100 0.006 0.000 0.632 1409 G HN 0.334 nan 8.290 nan 0.000 0.529 1410 V N 1.849 121.779 119.914 0.026 0.000 2.673 1410 V HA 0.326 4.447 4.120 0.001 0.000 0.303 1410 V C 1.087 177.210 176.094 0.049 0.000 1.046 1410 V CA 0.564 62.891 62.300 0.044 0.000 1.126 1410 V CB 1.076 32.937 31.823 0.063 0.000 0.934 1410 V HN 0.340 nan 8.190 nan 0.000 0.487 1411 I N 5.727 126.331 120.570 0.056 0.000 2.460 1411 I HA 0.487 4.658 4.170 0.001 0.000 0.298 1411 I C -0.291 175.877 176.117 0.085 0.000 0.989 1411 I CA -0.370 60.967 61.300 0.060 0.000 1.173 1411 I CB 1.668 39.697 38.000 0.047 0.000 1.338 1411 I HN 0.405 nan 8.210 nan 0.000 0.456 1412 I N 5.922 126.551 120.570 0.099 0.000 2.410 1412 I HA 0.281 4.451 4.170 0.001 0.000 0.286 1412 I C -0.225 175.951 176.117 0.099 0.000 1.009 1412 I CA -0.993 60.383 61.300 0.126 0.000 1.111 1412 I CB 1.283 39.397 38.000 0.190 0.000 1.262 1412 I HN 0.389 nan 8.210 nan 0.000 0.443 1413 K N 3.466 123.918 120.400 0.087 0.000 2.295 1413 K HA 0.190 4.511 4.320 0.001 0.000 0.270 1413 K C 0.257 176.901 176.600 0.073 0.000 1.011 1413 K CA -0.102 56.225 56.287 0.068 0.000 0.953 1413 K CB 1.194 33.729 32.500 0.058 0.000 0.956 1413 K HN 0.550 nan 8.250 nan 0.000 0.477 1414 S N 0.328 116.059 115.700 0.053 0.000 2.558 1414 S HA 0.181 4.651 4.470 0.001 0.000 0.293 1414 S C 1.246 175.887 174.600 0.068 0.000 1.292 1414 S CA 1.469 59.699 58.200 0.051 0.000 1.063 1414 S CB -0.230 62.988 63.200 0.031 0.000 0.831 1414 S HN 0.768 nan 8.310 nan 0.000 0.499 1415 G N 3.169 112.029 108.800 0.099 0.000 2.234 1415 G HA2 -0.234 3.726 3.960 0.001 0.000 0.235 1415 G HA3 -0.234 3.726 3.960 0.001 0.000 0.235 1415 G C 0.284 175.309 174.900 0.207 0.000 0.997 1415 G CA 0.199 45.361 45.100 0.102 0.000 0.623 1415 G HN 0.940 nan 8.290 nan 0.000 0.514 1416 T N 1.608 116.275 114.554 0.189 0.000 2.902 1416 T HA 0.376 4.726 4.350 0.001 0.000 0.301 1416 T C 0.427 175.282 174.700 0.259 0.000 1.012 1416 T CA 0.585 62.804 62.100 0.199 0.000 1.151 1416 T CB 1.428 70.390 68.868 0.156 0.000 0.946 1416 T HN 0.499 nan 8.240 nan 0.000 0.542 1417 E N 2.681 123.001 120.200 0.200 0.000 2.366 1417 E HA 0.086 4.436 4.350 0.001 0.000 0.266 1417 E C 0.249 176.806 176.600 -0.072 0.000 1.015 1417 E CA -0.203 56.159 56.400 -0.063 0.000 0.906 1417 E CB 0.288 29.876 29.700 -0.186 0.000 0.979 1417 E HN 0.599 nan 8.360 nan 0.000 0.443 1418 L N 3.941 125.104 121.223 -0.102 0.000 2.766 1418 L HA 0.053 4.394 4.340 0.001 0.000 0.242 1418 L C 1.673 178.461 176.870 -0.136 0.000 1.136 1418 L CA -0.010 54.858 54.840 0.047 0.000 0.933 1418 L CB 0.177 42.431 42.059 0.325 0.000 1.241 1418 L HN 0.638 nan 8.230 nan 0.000 0.522 1419 T N 0.489 114.871 114.554 -0.286 0.000 2.751 1419 T HA -0.310 4.040 4.350 0.001 0.000 0.268 1419 T C 1.771 176.292 174.700 -0.298 0.000 1.045 1419 T CA 2.173 64.079 62.100 -0.323 0.000 1.142 1419 T CB -0.238 68.370 68.868 -0.434 0.000 0.851 1419 T HN 0.591 nan 8.240 nan 0.000 0.474 1420 Q N 0.066 119.638 119.800 -0.380 0.000 2.291 1420 Q HA -0.094 4.247 4.340 0.001 0.000 0.205 1420 Q C 0.921 176.635 176.000 -0.476 0.000 0.970 1420 Q CA 1.319 56.846 55.803 -0.458 0.000 0.876 1420 Q CB -0.527 27.857 28.738 -0.591 0.000 0.935 1420 Q HN 0.568 nan 8.270 nan 0.000 0.455 1421 Y N 1.688 121.855 120.300 -0.222 0.000 2.532 1421 Y HA 0.252 4.802 4.550 0.000 0.000 0.283 1421 Y C 0.292 176.119 175.900 -0.122 0.000 1.181 1421 Y CA 0.098 58.079 58.100 -0.199 0.000 1.256 1421 Y CB 0.334 38.463 38.460 -0.552 0.000 1.112 1421 Y HN 0.196 nan 8.280 nan 0.000 0.521 1422 T N -2.902 111.613 114.554 -0.065 0.000 2.883 1422 T HA 0.751 5.102 4.350 0.001 0.000 0.296 1422 T C -0.117 174.612 174.700 0.048 0.000 1.117 1422 T CA -0.636 61.423 62.100 -0.069 0.000 1.006 1422 T CB 2.542 71.296 68.868 -0.190 0.000 1.191 1422 T HN 0.030 nan 8.240 nan 0.000 0.508 1423 T N -1.580 113.014 114.554 0.067 0.000 2.887 1423 T HA 0.850 5.200 4.350 0.001 0.000 0.292 1423 T C -0.708 174.002 174.700 0.017 0.000 1.087 1423 T CA -0.905 61.251 62.100 0.093 0.000 1.009 1423 T CB 1.543 70.455 68.868 0.074 0.000 1.203 1423 T HN 1.381 nan 8.240 nan 0.000 0.518 1424 A N 0.741 123.566 122.820 0.008 0.000 2.359 1424 A HA 0.700 5.021 4.320 0.001 0.000 0.303 1424 A C -0.556 177.011 177.584 -0.028 0.000 1.066 1424 A CA -0.733 51.219 52.037 -0.141 0.000 0.730 1424 A CB 1.276 20.058 19.000 -0.363 0.000 1.211 1424 A HN 0.906 nan 8.150 nan 0.000 0.439 1425 E N 2.396 122.580 120.200 -0.027 0.000 2.092 1425 E HA 0.497 4.847 4.350 0.001 0.000 0.271 1425 E C -0.967 175.641 176.600 0.013 0.000 0.919 1425 E CA -0.462 55.950 56.400 0.019 0.000 0.760 1425 E CB 1.059 30.785 29.700 0.043 0.000 1.106 1425 E HN 0.533 nan 8.360 nan 0.000 0.408 1426 V N 2.351 122.287 119.914 0.036 0.000 2.439 1426 V HA 0.296 4.416 4.120 0.001 0.000 0.282 1426 V C 0.085 176.214 176.094 0.058 0.000 1.039 1426 V CA -0.880 61.447 62.300 0.045 0.000 0.913 1426 V CB 1.517 33.404 31.823 0.107 0.000 0.983 1426 V HN 0.608 nan 8.190 nan 0.000 0.460 1427 D N 2.988 123.418 120.400 0.051 0.000 2.485 1427 D HA 0.190 4.831 4.640 0.001 0.000 0.229 1427 D C 1.009 177.331 176.300 0.037 0.000 1.101 1427 D CA -0.020 54.008 54.000 0.046 0.000 0.906 1427 D CB 1.789 42.618 40.800 0.048 0.000 1.019 1427 D HN 0.706 nan 8.370 nan 0.000 0.516 1428 T N 1.457 116.045 114.554 0.056 0.000 2.951 1428 T HA -0.089 4.261 4.350 0.001 0.000 0.268 1428 T C 1.590 176.314 174.700 0.040 0.000 1.073 1428 T CA 1.533 63.675 62.100 0.071 0.000 1.134 1428 T CB 0.313 69.234 68.868 0.088 0.000 0.884 1428 T HN 0.313 nan 8.240 nan 0.000 0.479 1429 T N 1.110 115.681 114.554 0.027 0.000 2.770 1429 T HA 0.020 4.370 4.350 0.001 0.000 0.263 1429 T C 1.898 176.594 174.700 -0.007 0.000 1.039 1429 T CA 0.982 63.092 62.100 0.016 0.000 1.142 1429 T CB -0.133 68.746 68.868 0.018 0.000 0.868 1429 T HN 0.330 nan 8.240 nan 0.000 0.435 1430 K N 0.652 121.041 120.400 -0.018 0.000 2.418 1430 K HA 0.084 4.405 4.320 0.001 0.000 0.195 1430 K C 0.957 177.481 176.600 -0.127 0.000 1.035 1430 K CA 0.602 56.864 56.287 -0.042 0.000 1.003 1430 K CB -0.122 32.373 32.500 -0.009 0.000 0.793 1430 K HN 0.408 nan 8.250 nan 0.000 0.494 1431 G N 0.806 109.506 108.800 -0.167 0.000 2.289 1431 G HA2 -0.207 3.753 3.960 0.001 0.000 0.280 1431 G HA3 -0.207 3.753 3.960 0.001 0.000 0.280 1431 G C -0.221 174.221 174.900 -0.763 0.000 1.089 1431 G CA 0.356 45.204 45.100 -0.420 0.000 0.939 1431 G HN 0.609 nan 8.290 nan 0.000 0.499 1432 A N -0.679 121.960 122.820 -0.301 0.000 2.566 1432 A HA 0.957 5.277 4.320 0.001 0.000 0.292 1432 A C -0.613 176.961 177.584 -0.018 0.000 1.112 1432 A CA -0.257 51.672 52.037 -0.181 0.000 0.707 1432 A CB 2.050 20.957 19.000 -0.155 0.000 1.302 1432 A HN 1.675 nan 8.150 nan 0.000 0.409 1433 I N 0.211 120.722 120.570 -0.099 0.000 2.692 1433 I HA 0.587 4.758 4.170 0.001 0.000 0.293 1433 I C -1.300 174.744 176.117 -0.122 0.000 1.200 1433 I CA -0.112 61.092 61.300 -0.160 0.000 1.036 1433 I CB 2.412 40.168 38.000 -0.407 0.000 1.258 1433 I HN 0.604 nan 8.210 nan 0.000 0.421 1434 T N 7.754 122.295 114.554 -0.020 0.000 2.786 1434 T HA 0.544 4.894 4.350 0.001 0.000 0.283 1434 T C -0.287 174.395 174.700 -0.031 0.000 0.992 1434 T CA -0.259 61.889 62.100 0.081 0.000 0.954 1434 T CB 1.055 70.056 68.868 0.221 0.000 0.934 1434 T HN 0.307 nan 8.240 nan 0.000 0.440 1435 I N 3.570 124.124 120.570 -0.028 0.000 2.325 1435 I HA 0.346 4.517 4.170 0.001 0.000 0.291 1435 I C 0.321 176.533 176.117 0.158 0.000 1.019 1435 I CA -0.401 60.831 61.300 -0.114 0.000 1.302 1435 I CB 0.810 38.633 38.000 -0.296 0.000 1.401 1435 I HN 0.322 nan 8.210 nan 0.000 0.485 1436 K N 6.135 126.593 120.400 0.096 0.000 2.376 1436 K HA 0.459 4.779 4.320 0.001 0.000 0.257 1436 K C -1.075 175.641 176.600 0.194 0.000 0.939 1436 K CA -0.683 55.723 56.287 0.199 0.000 0.809 1436 K CB 2.006 34.600 32.500 0.157 0.000 1.121 1436 K HN 0.227 nan 8.250 nan 0.000 0.425 1437 F N 2.611 122.752 119.950 0.320 0.000 2.443 1437 F HA 0.114 4.641 4.527 0.000 0.000 0.353 1437 F C 0.913 176.872 175.800 0.266 0.000 1.101 1437 F CA -0.009 58.189 58.000 0.330 0.000 1.226 1437 F CB 0.646 39.883 39.000 0.396 0.000 1.140 1437 F HN 0.188 nan 8.300 nan 0.000 0.557 1438 K N 3.167 123.833 120.400 0.443 0.000 2.484 1438 K HA -0.083 4.237 4.320 0.001 0.000 0.280 1438 K C 1.205 178.015 176.600 0.350 0.000 1.013 1438 K CA 0.123 56.617 56.287 0.344 0.000 1.029 1438 K CB 0.508 33.201 32.500 0.322 0.000 0.902 1438 K HN 0.730 nan 8.250 nan 0.000 0.481 1439 E N 2.775 123.126 120.200 0.251 0.000 2.110 1439 E HA -0.248 4.102 4.350 0.001 0.000 0.193 1439 E C 1.670 178.362 176.600 0.153 0.000 0.988 1439 E CA 1.323 57.844 56.400 0.202 0.000 0.804 1439 E CB 0.108 29.914 29.700 0.177 0.000 0.745 1439 E HN 0.742 nan 8.360 nan 0.000 0.458 1440 A N 0.564 123.484 122.820 0.167 0.000 1.898 1440 A HA -0.160 4.160 4.320 0.001 0.000 0.216 1440 A C 1.933 179.590 177.584 0.123 0.000 1.181 1440 A CA 1.118 53.232 52.037 0.128 0.000 0.620 1440 A CB -0.789 18.295 19.000 0.139 0.000 0.819 1440 A HN 0.489 nan 8.150 nan 0.000 0.442 1441 F N 0.811 120.792 119.950 0.052 0.000 2.069 1441 F HA -0.172 4.356 4.527 0.000 0.000 0.298 1441 F C 1.924 177.632 175.800 -0.153 0.000 1.113 1441 F CA 1.800 59.760 58.000 -0.067 0.000 1.214 1441 F CB -0.442 38.527 39.000 -0.051 0.000 0.978 1441 F HN 0.145 nan 8.300 nan 0.000 0.474 1442 L N 0.087 121.166 121.223 -0.240 0.000 2.012 1442 L HA -0.250 4.091 4.340 0.001 0.000 0.210 1442 L C 2.616 179.232 176.870 -0.424 0.000 1.073 1442 L CA 1.737 56.269 54.840 -0.514 0.000 0.748 1442 L CB -0.691 41.202 42.059 -0.277 0.000 0.891 1442 L HN 0.083 nan 8.230 nan 0.000 0.431 1443 R N -0.318 120.066 120.500 -0.195 0.000 2.237 1443 R HA -0.090 4.250 4.340 0.001 0.000 0.219 1443 R C 2.396 178.600 176.300 -0.160 0.000 1.080 1443 R CA 1.237 57.264 56.100 -0.122 0.000 0.995 1443 R CB -0.226 30.061 30.300 -0.022 0.000 0.875 1443 R HN 0.462 nan 8.270 nan 0.000 0.462 1444 S N -0.248 115.311 115.700 -0.236 0.000 2.527 1444 S HA 0.040 4.510 4.470 0.001 0.000 0.222 1444 S C 0.930 175.366 174.600 -0.275 0.000 0.985 1444 S CA -0.272 57.801 58.200 -0.211 0.000 0.921 1444 S CB 0.087 63.182 63.200 -0.175 0.000 0.772 1444 S HN -0.090 nan 8.310 nan 0.000 0.529 1445 V N 2.754 122.423 119.914 -0.409 0.000 2.740 1445 V HA 0.265 4.385 4.120 0.001 0.000 0.303 1445 V C 0.828 176.813 176.094 -0.183 0.000 1.054 1445 V CA -0.275 61.823 62.300 -0.337 0.000 1.106 1445 V CB 1.120 32.667 31.823 -0.460 0.000 0.957 1445 V HN 0.505 nan 8.190 nan 0.000 0.486 1446 S N 3.696 119.324 115.700 -0.121 0.000 2.564 1446 S HA 0.188 4.658 4.470 0.001 0.000 0.278 1446 S C 1.278 175.790 174.600 -0.145 0.000 1.333 1446 S CA -0.394 57.742 58.200 -0.106 0.000 1.048 1446 S CB 0.330 63.481 63.200 -0.080 0.000 0.900 1446 S HN 0.645 nan 8.310 nan 0.000 0.505 1447 I N 1.297 121.739 120.570 -0.213 0.000 2.700 1447 I HA -0.037 4.134 4.170 0.001 0.000 0.261 1447 I C 0.715 176.445 176.117 -0.646 0.000 1.219 1447 I CA 1.298 62.301 61.300 -0.495 0.000 1.463 1447 I CB -0.227 37.571 38.000 -0.337 0.000 1.092 1447 I HN 0.429 nan 8.210 nan 0.000 0.452 1448 D N 1.050 121.278 120.400 -0.287 0.000 2.347 1448 D HA 0.029 4.669 4.640 0.001 0.000 0.213 1448 D C 1.207 177.460 176.300 -0.079 0.000 0.985 1448 D CA 0.451 54.345 54.000 -0.176 0.000 0.879 1448 D CB 0.179 40.922 40.800 -0.095 0.000 0.919 1448 D HN 0.362 nan 8.370 nan 0.000 0.526 1449 S N 0.045 115.724 115.700 -0.035 0.000 2.601 1449 S HA 0.490 4.960 4.470 0.001 0.000 0.271 1449 S C 0.117 174.830 174.600 0.188 0.000 1.305 1449 S CA -0.685 57.556 58.200 0.068 0.000 1.022 1449 S CB 1.117 64.357 63.200 0.066 0.000 0.940 1449 S HN 0.158 nan 8.310 nan 0.000 0.525 1450 A N 2.776 125.679 122.820 0.138 0.000 2.313 1450 A HA 0.689 5.009 4.320 0.001 0.000 0.261 1450 A C -0.679 177.004 177.584 0.165 0.000 1.090 1450 A CA -0.310 51.810 52.037 0.138 0.000 0.807 1450 A CB 0.044 19.084 19.000 0.068 0.000 1.055 1450 A HN 0.920 nan 8.150 nan 0.000 0.492 1451 F N -0.415 119.500 119.950 -0.059 0.000 2.604 1451 F HA 0.562 5.089 4.527 0.000 0.000 0.316 1451 F C -0.680 175.048 175.800 -0.120 0.000 1.136 1451 F CA -0.136 57.783 58.000 -0.136 0.000 0.989 1451 F CB 1.644 40.495 39.000 -0.248 0.000 1.258 1451 F HN 0.753 nan 8.300 nan 0.000 0.451 1452 Q N 4.618 123.921 119.800 -0.829 0.000 2.403 1452 Q HA 0.762 5.102 4.340 0.001 0.000 0.267 1452 Q C -2.215 173.452 176.000 -0.554 0.000 0.991 1452 Q CA -0.685 54.851 55.803 -0.444 0.000 0.906 1452 Q CB 2.239 30.916 28.738 -0.102 0.000 1.422 1452 Q HN 1.032 nan 8.270 nan 0.000 0.400 1453 A N 2.550 125.286 122.820 -0.141 0.000 2.569 1453 A HA 0.869 5.189 4.320 0.001 0.000 0.290 1453 A C -1.720 176.191 177.584 0.544 0.000 1.136 1453 A CA -0.562 51.588 52.037 0.188 0.000 0.710 1453 A CB 1.889 21.107 19.000 0.364 0.000 1.303 1453 A HN 0.768 nan 8.150 nan 0.000 0.413 1454 E N 0.068 120.521 120.200 0.422 0.000 2.356 1454 E HA 0.700 5.050 4.350 0.001 0.000 0.275 1454 E C -1.353 175.209 176.600 -0.063 0.000 0.904 1454 E CA -0.782 55.768 56.400 0.249 0.000 0.757 1454 E CB 1.992 31.781 29.700 0.148 0.000 1.232 1454 E HN 0.294 nan 8.360 nan 0.000 0.442 1455 S N 1.076 116.490 115.700 -0.478 0.000 2.503 1455 S HA 0.430 4.900 4.470 0.001 0.000 0.301 1455 S C -1.452 172.976 174.600 -0.286 0.000 1.087 1455 S CA -0.575 57.325 58.200 -0.500 0.000 1.042 1455 S CB 0.524 63.090 63.200 -1.057 0.000 1.043 1455 S HN 0.419 nan 8.310 nan 0.000 0.489 1456 Y N 2.651 122.922 120.300 -0.049 0.000 2.328 1456 Y HA 0.513 5.063 4.550 0.001 0.000 0.337 1456 Y C 0.346 176.244 175.900 -0.003 0.000 0.966 1456 Y CA -0.903 57.201 58.100 0.005 0.000 1.136 1456 Y CB 0.838 39.356 38.460 0.097 0.000 1.170 1456 Y HN 0.532 nan 8.280 nan 0.000 0.470 1457 I N 1.089 121.703 120.570 0.073 0.000 2.339 1457 I HA 0.471 4.641 4.170 0.001 0.000 0.290 1457 I C -0.557 175.553 176.117 -0.013 0.000 0.994 1457 I CA -1.048 60.292 61.300 0.067 0.000 1.191 1457 I CB 1.613 39.552 38.000 -0.102 0.000 1.343 1457 I HN 0.548 nan 8.210 nan 0.000 0.458 1458 Q N 6.869 126.674 119.800 0.009 0.000 2.293 1458 Q HA 0.373 4.714 4.340 0.001 0.000 0.263 1458 Q C -1.061 174.744 176.000 -0.325 0.000 1.002 1458 Q CA -0.379 55.313 55.803 -0.186 0.000 0.910 1458 Q CB 0.851 29.497 28.738 -0.154 0.000 1.185 1458 Q HN 0.641 nan 8.270 nan 0.000 0.401 1459 M N 2.986 122.202 119.600 -0.640 0.000 2.662 1459 M HA 0.456 4.937 4.480 0.001 0.000 0.310 1459 M C -0.849 175.125 176.300 -0.543 0.000 1.204 1459 M CA -0.648 54.224 55.300 -0.714 0.000 0.891 1459 M CB 1.720 33.636 32.600 -1.141 0.000 1.732 1459 M HN 0.466 nan 8.290 nan 0.000 0.467 1460 K N 1.511 121.808 120.400 -0.171 0.000 2.323 1460 K HA 0.452 4.772 4.320 0.001 0.000 0.259 1460 K C -0.774 175.955 176.600 0.216 0.000 0.947 1460 K CA -0.679 55.656 56.287 0.079 0.000 0.819 1460 K CB 1.697 34.262 32.500 0.109 0.000 1.109 1460 K HN 0.537 nan 8.250 nan 0.000 0.429 1461 R N 5.006 125.713 120.500 0.345 0.000 2.291 1461 R HA 0.116 4.456 4.340 0.001 0.000 0.333 1461 R C 0.066 176.420 176.300 0.091 0.000 1.082 1461 R CA 0.001 56.226 56.100 0.207 0.000 0.948 1461 R CB -0.543 29.814 30.300 0.096 0.000 1.009 1461 R HN 0.716 nan 8.270 nan 0.000 0.460 1462 I N 1.601 122.195 120.570 0.041 0.000 3.517 1462 I HA 0.684 4.854 4.170 0.001 0.000 0.346 1462 I C -0.342 175.792 176.117 0.027 0.000 1.510 1462 I CA -0.259 61.056 61.300 0.025 0.000 1.090 1462 I CB 0.438 38.442 38.000 0.007 0.000 1.506 1462 I HN 0.582 nan 8.210 nan 0.000 0.477 1463 A N 0.692 123.552 122.820 0.066 0.000 2.519 1463 A HA 0.512 4.833 4.320 0.001 0.000 0.298 1463 A C -0.877 176.865 177.584 0.264 0.000 0.963 1463 A CA -0.289 51.836 52.037 0.147 0.000 0.624 1463 A CB 0.275 19.381 19.000 0.176 0.000 1.356 1463 A HN 0.886 nan 8.150 nan 0.000 0.441 1464 V N -0.128 119.923 119.914 0.228 0.000 2.743 1464 V HA 0.974 5.094 4.120 0.001 0.000 0.301 1464 V C 0.614 176.814 176.094 0.176 0.000 1.057 1464 V CA 0.971 63.384 62.300 0.188 0.000 1.006 1464 V CB 0.800 32.677 31.823 0.091 0.000 1.024 1464 V HN 2.939 nan 8.190 nan 0.000 0.473 1465 G N 2.552 111.364 108.800 0.020 0.000 2.325 1465 G HA2 0.269 4.229 3.960 0.001 0.000 0.285 1465 G HA3 0.269 4.229 3.960 0.001 0.000 0.285 1465 G C -0.587 174.037 174.900 -0.461 0.000 1.303 1465 G CA -0.269 44.658 45.100 -0.287 0.000 0.970 1465 G HN 1.105 nan 8.290 nan 0.000 0.490 1466 T N 0.804 114.943 114.554 -0.691 0.000 2.792 1466 T HA 0.688 5.039 4.350 0.001 0.000 0.280 1466 T C -1.227 173.077 174.700 -0.660 0.000 0.990 1466 T CA 0.021 61.846 62.100 -0.459 0.000 0.960 1466 T CB 0.627 69.360 68.868 -0.224 0.000 0.939 1466 T HN 0.456 nan 8.240 nan 0.000 0.439 1467 F N 1.700 121.691 119.950 0.069 0.000 2.529 1467 F HA 0.478 5.006 4.527 0.001 0.000 0.320 1467 F C 0.636 176.500 175.800 0.107 0.000 1.118 1467 F CA -1.039 57.022 58.000 0.101 0.000 0.915 1467 F CB 1.755 40.843 39.000 0.146 0.000 1.161 1467 F HN 0.429 nan 8.300 nan 0.000 0.445 1468 E N 1.213 121.571 120.200 0.263 0.000 2.222 1468 E HA 0.516 4.866 4.350 0.001 0.000 0.267 1468 E C -1.228 175.445 176.600 0.122 0.000 0.963 1468 E CA -1.200 55.296 56.400 0.160 0.000 0.837 1468 E CB 2.474 32.233 29.700 0.097 0.000 1.183 1468 E HN 0.551 nan 8.360 nan 0.000 0.403 1469 N N -0.222 118.492 118.700 0.023 0.000 2.504 1469 N HA 0.363 5.103 4.740 0.001 0.000 0.268 1469 N C -2.016 173.447 175.510 -0.079 0.000 1.184 1469 N CA -0.252 52.739 53.050 -0.099 0.000 0.875 1469 N CB 2.107 40.324 38.487 -0.451 0.000 1.630 1469 N HN 0.324 nan 8.380 nan 0.000 0.486 1470 T N 1.163 115.693 114.554 -0.040 0.000 2.894 1470 T HA 0.485 4.836 4.350 0.001 0.000 0.309 1470 T C -1.655 173.100 174.700 0.090 0.000 1.208 1470 T CA -0.552 61.564 62.100 0.027 0.000 1.016 1470 T CB 0.919 69.801 68.868 0.023 0.000 1.192 1470 T HN 0.505 nan 8.240 nan 0.000 0.491 1471 Y N 0.535 120.823 120.300 -0.020 0.000 2.609 1471 Y HA 0.839 5.390 4.550 0.001 0.000 0.342 1471 Y C -1.829 174.112 175.900 0.069 0.000 1.058 1471 Y CA -1.601 56.507 58.100 0.013 0.000 1.055 1471 Y CB 1.343 39.811 38.460 0.014 0.000 1.292 1471 Y HN 0.498 nan 8.280 nan 0.000 0.476 1472 I N 3.526 124.017 120.570 -0.131 0.000 2.362 1472 I HA 0.259 4.430 4.170 0.001 0.000 0.289 1472 I C -0.810 175.167 176.117 -0.234 0.000 0.994 1472 I CA -0.537 60.634 61.300 -0.215 0.000 1.158 1472 I CB 1.409 39.448 38.000 0.066 0.000 1.315 1472 I HN 0.806 nan 8.210 nan 0.000 0.451 1473 N N 4.780 123.227 118.700 -0.422 0.000 2.426 1473 N HA 0.275 5.015 4.740 0.001 0.000 0.257 1473 N C -0.808 174.608 175.510 -0.156 0.000 1.002 1473 N CA -0.182 52.701 53.050 -0.278 0.000 0.942 1473 N CB 0.961 39.240 38.487 -0.346 0.000 1.112 1473 N HN 0.498 nan 8.380 nan 0.000 0.499 1474 T N 2.666 117.121 114.554 -0.165 0.000 2.749 1474 T HA 0.283 4.634 4.350 0.001 0.000 0.287 1474 T C -0.259 174.351 174.700 -0.150 0.000 0.970 1474 T CA -0.422 61.613 62.100 -0.109 0.000 0.980 1474 T CB 1.255 70.076 68.868 -0.077 0.000 0.924 1474 T HN 0.161 nan 8.240 nan 0.000 0.456 1475 V N 4.752 124.623 119.914 -0.070 0.000 2.407 1475 V HA 0.329 4.449 4.120 0.001 0.000 0.291 1475 V C 0.007 176.001 176.094 -0.166 0.000 1.018 1475 V CA -1.137 61.095 62.300 -0.113 0.000 0.842 1475 V CB 1.104 32.897 31.823 -0.049 0.000 0.996 1475 V HN 0.944 nan 8.190 nan 0.000 0.426 1476 N N 4.234 122.682 118.700 -0.419 0.000 2.705 1476 N HA -0.210 4.530 4.740 0.001 0.000 0.255 1476 N C 1.160 176.550 175.510 -0.201 0.000 1.008 1476 N CA 1.729 54.329 53.050 -0.750 0.000 0.742 1476 N CB -1.014 37.069 38.487 -0.674 0.000 0.906 1476 N HN 1.491 nan 8.380 nan 0.000 0.541 1477 G N -3.480 105.271 108.800 -0.082 0.000 2.176 1477 G HA2 -0.279 3.681 3.960 0.001 0.000 0.253 1477 G HA3 -0.279 3.681 3.960 0.001 0.000 0.253 1477 G C -0.067 174.796 174.900 -0.062 0.000 0.979 1477 G CA 0.239 45.352 45.100 0.021 0.000 0.641 1477 G HN 0.583 nan 8.290 nan 0.000 0.530 1478 V N 2.086 121.929 119.914 -0.119 0.000 2.448 1478 V HA 0.681 4.801 4.120 0.001 0.000 0.295 1478 V C 0.681 176.527 176.094 -0.413 0.000 1.025 1478 V CA -0.065 62.074 62.300 -0.268 0.000 0.859 1478 V CB 1.603 33.245 31.823 -0.301 0.000 0.988 1478 V HN 0.690 nan 8.190 nan 0.000 0.431 1479 T N 1.895 116.184 114.554 -0.442 0.000 2.845 1479 T HA 0.696 5.046 4.350 0.001 0.000 0.288 1479 T C -0.982 173.401 174.700 -0.528 0.000 0.980 1479 T CA -0.371 61.515 62.100 -0.356 0.000 1.071 1479 T CB 0.584 69.318 68.868 -0.223 0.000 0.941 1479 T HN 0.417 nan 8.240 nan 0.000 0.487 1480 Y N 0.542 120.740 120.300 -0.169 0.000 2.373 1480 Y HA 0.521 5.071 4.550 0.001 0.000 0.336 1480 Y C 0.370 176.131 175.900 -0.231 0.000 0.979 1480 Y CA -1.017 56.981 58.100 -0.171 0.000 1.080 1480 Y CB 2.320 40.677 38.460 -0.172 0.000 1.190 1480 Y HN 0.680 nan 8.280 nan 0.000 0.446 1481 S N 1.829 117.499 115.700 -0.050 0.000 2.554 1481 S HA 0.438 4.908 4.470 0.001 0.000 0.278 1481 S C 0.012 174.531 174.600 -0.135 0.000 1.242 1481 S CA -0.842 57.282 58.200 -0.127 0.000 1.051 1481 S CB 0.790 63.950 63.200 -0.067 0.000 0.986 1481 S HN 0.735 nan 8.310 nan 0.000 0.502 1482 S N 3.262 118.832 115.700 -0.216 0.000 2.655 1482 S HA 0.286 4.756 4.470 0.001 0.000 0.265 1482 S C 0.227 174.820 174.600 -0.012 0.000 1.240 1482 S CA -0.989 57.155 58.200 -0.094 0.000 0.986 1482 S CB 0.091 63.287 63.200 -0.007 0.000 0.985 1482 S HN 0.811 nan 8.310 nan 0.000 0.562 1483 N N 0.162 118.880 118.700 0.029 0.000 2.340 1483 N HA 0.040 4.781 4.740 0.001 0.000 0.236 1483 N C -0.812 174.724 175.510 0.043 0.000 1.296 1483 N CA -0.078 52.993 53.050 0.035 0.000 0.896 1483 N CB -0.369 38.146 38.487 0.046 0.000 1.127 1483 N HN 0.603 nan 8.380 nan 0.000 0.442 1484 T N 0.577 115.153 114.554 0.036 0.000 2.743 1484 T HA 0.327 4.677 4.350 0.001 0.000 0.292 1484 T C 0.474 175.202 174.700 0.046 0.000 0.972 1484 T CA -0.815 61.306 62.100 0.036 0.000 0.967 1484 T CB 0.425 69.311 68.868 0.030 0.000 0.926 1484 T HN 0.492 nan 8.240 nan 0.000 0.459 1485 V N 1.760 121.704 119.914 0.051 0.000 2.904 1485 V HA 0.737 4.857 4.120 0.001 0.000 0.305 1485 V C -0.131 176.020 176.094 0.094 0.000 1.067 1485 V CA -0.829 61.520 62.300 0.081 0.000 1.044 1485 V CB 1.223 33.118 31.823 0.121 0.000 1.050 1485 V HN 0.831 nan 8.190 nan 0.000 0.475 1486 K N 1.625 122.088 120.400 0.105 0.000 2.565 1486 K HA 0.614 4.935 4.320 0.001 0.000 0.251 1486 K C -0.714 175.946 176.600 0.099 0.000 0.956 1486 K CA -0.062 56.288 56.287 0.106 0.000 0.809 1486 K CB 2.045 34.584 32.500 0.064 0.000 1.267 1486 K HN 1.188 nan 8.250 nan 0.000 0.438 1487 T N -0.696 113.932 114.554 0.123 0.000 2.926 1487 T HA 0.605 4.955 4.350 0.001 0.000 0.289 1487 T C -0.458 174.286 174.700 0.073 0.000 1.054 1487 T CA -0.693 61.452 62.100 0.074 0.000 1.015 1487 T CB 1.855 70.741 68.868 0.030 0.000 1.167 1487 T HN 0.324 nan 8.240 nan 0.000 0.526 1488 T N 1.291 115.865 114.554 0.034 0.000 2.876 1488 T HA 0.721 5.071 4.350 0.001 0.000 0.289 1488 T C -0.507 174.216 174.700 0.039 0.000 1.014 1488 T CA -0.481 61.634 62.100 0.026 0.000 0.986 1488 T CB 1.930 70.793 68.868 -0.008 0.000 1.021 1488 T HN 0.841 nan 8.240 nan 0.000 0.458 1489 T N 0.000 114.598 114.554 0.073 0.000 3.816 1489 T HA 0.000 4.350 4.350 0.001 0.000 0.228 1489 T CA 0.000 62.142 62.100 0.071 0.000 1.349 1489 T CB 0.000 68.943 68.868 0.124 0.000 0.612 1489 T HN 0.000 nan 8.240 nan 0.000 0.658