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 2vk7_1_B DATA FIRST_RESID 1243 DATA SEQUENCE VEGAVKTEPV DLFHPGFLNS SNYRIPALFK TKEGTLIASI DARRHGGADA DATA SEQUENCE PNNDIDTAVR RSEDGGKTWD EGQIIMDYPD KSSVIDTTLI QDDETGRIFL DATA SEQUENCE LVTHFPSKYG FWNAGLGSGF KNIDGKEYLC LYDSSGKEFT VRENVVYDKD DATA SEQUENCE SNKTEYTTNA LGDLFKNGTK IDNINSSTAP LKAKGTSYIN LVYSDDDGKT DATA SEQUENCE WSEPQNINFQ VKKDWMKFLG IAPGRGIQIK NGEHKGRIVV PVYYTNEKGK DATA SEQUENCE QSSAVIYSDD SGKNWTIGES PNDNRKLENG KIINSKTLSD DAPQLTECQV DATA SEQUENCE VEMPNGQLKL FMRNLSGYLN IATSFDGGAT WDETVEKDTN VLEPYCQLSV DATA SEQUENCE INYSQKVDGK DAVIFSNPNA RSRSNGTVRI GLINQVGTYE NGEPKYEFDW DATA SEQUENCE KYNKLVKPGY YAYSCLTELS NGNIGLLYEG TPSEEMSYIE MNLKYLESG 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 1243 V HA 0.000 nan 4.120 nan 0.000 0.244 1243 V C 0.000 176.097 176.094 0.005 0.000 1.182 1243 V CA 0.000 62.302 62.300 0.003 0.000 1.235 1243 V CB 0.000 31.821 31.823 -0.004 0.000 1.184 1244 E N 3.146 123.350 120.200 0.008 0.000 2.336 1244 E HA 0.813 5.161 4.350 -0.004 0.000 0.267 1244 E C 0.394 177.004 176.600 0.016 0.000 0.906 1244 E CA -0.310 56.098 56.400 0.013 0.000 0.781 1244 E CB 2.107 31.816 29.700 0.013 0.000 1.261 1244 E HN 1.677 nan 8.360 nan 0.000 0.436 1245 G N 0.389 109.203 108.800 0.023 0.000 2.205 1245 G HA2 -0.153 3.804 3.960 -0.004 0.000 0.180 1245 G HA3 -0.153 3.804 3.960 -0.004 0.000 0.180 1245 G C 0.275 175.199 174.900 0.039 0.000 1.004 1245 G CA -0.326 44.789 45.100 0.026 0.000 0.670 1245 G HN 0.736 nan 8.290 nan 0.000 0.496 1246 A N -0.136 122.718 122.820 0.057 0.000 2.567 1246 A HA 0.578 4.896 4.320 -0.004 0.000 0.240 1246 A C 0.354 178.004 177.584 0.110 0.000 1.053 1246 A CA 1.067 53.173 52.037 0.114 0.000 0.755 1246 A CB 1.005 20.096 19.000 0.151 0.000 0.978 1246 A HN 1.644 nan 8.150 nan 0.000 0.507 1247 V N 3.352 123.313 119.914 0.078 0.000 2.808 1247 V HA 0.685 4.802 4.120 -0.004 0.000 0.308 1247 V C -0.609 175.325 176.094 -0.267 0.000 1.099 1247 V CA -0.759 61.512 62.300 -0.048 0.000 0.920 1247 V CB 1.975 33.777 31.823 -0.036 0.000 1.014 1247 V HN 1.003 nan 8.190 nan 0.000 0.425 1248 K N 3.968 124.091 120.400 -0.462 0.000 2.507 1248 K HA 0.597 4.915 4.320 -0.004 0.000 0.252 1248 K C -0.165 176.263 176.600 -0.286 0.000 0.943 1248 K CA -0.324 55.609 56.287 -0.590 0.000 0.808 1248 K CB 1.850 33.635 32.500 -1.192 0.000 1.142 1248 K HN 0.896 nan 8.250 nan 0.000 0.426 1249 T N 0.833 115.274 114.554 -0.188 0.000 2.856 1249 T HA 0.158 4.506 4.350 -0.004 0.000 0.306 1249 T C 0.218 174.872 174.700 -0.076 0.000 1.062 1249 T CA -0.651 61.392 62.100 -0.095 0.000 1.083 1249 T CB 0.788 69.628 68.868 -0.047 0.000 0.984 1249 T HN 0.426 nan 8.240 nan 0.000 0.542 1250 E N 2.493 122.673 120.200 -0.033 0.000 2.360 1250 E HA 0.235 4.583 4.350 -0.004 0.000 0.269 1250 E C -2.177 174.425 176.600 0.002 0.000 1.022 1250 E CA -2.116 54.278 56.400 -0.011 0.000 0.887 1250 E CB 0.187 29.886 29.700 -0.001 0.000 0.990 1250 E HN 0.513 nan 8.360 nan 0.000 0.426 1251 P HA -0.013 nan 4.420 nan 0.000 0.266 1251 P C -0.532 176.762 177.300 -0.010 0.000 1.195 1251 P CA 0.068 63.175 63.100 0.012 0.000 0.768 1251 P CB 0.522 32.253 31.700 0.050 0.000 0.838 1252 V N 3.559 123.464 119.914 -0.015 0.000 2.483 1252 V HA 0.166 4.283 4.120 -0.004 0.000 0.295 1252 V C 0.090 176.106 176.094 -0.129 0.000 1.035 1252 V CA -0.459 61.818 62.300 -0.037 0.000 0.896 1252 V CB 1.598 33.444 31.823 0.039 0.000 0.986 1252 V HN 0.435 nan 8.190 nan 0.000 0.447 1253 D N 4.079 124.388 120.400 -0.151 0.000 2.470 1253 D HA 0.104 4.741 4.640 -0.004 0.000 0.226 1253 D C 0.834 176.959 176.300 -0.290 0.000 1.196 1253 D CA -0.119 53.777 54.000 -0.173 0.000 0.979 1253 D CB 1.407 42.135 40.800 -0.120 0.000 1.059 1253 D HN 0.357 nan 8.370 nan 0.000 0.515 1254 L N 2.071 122.998 121.223 -0.494 0.000 2.156 1254 L HA 0.085 4.423 4.340 -0.004 0.000 0.208 1254 L C -0.189 175.789 176.870 -1.487 0.000 1.095 1254 L CA 1.494 55.741 54.840 -0.988 0.000 0.770 1254 L CB -0.006 41.388 42.059 -1.109 0.000 0.914 1254 L HN 0.067 nan 8.230 nan 0.000 0.439 1255 F N -0.328 119.200 119.950 -0.704 0.000 2.588 1255 F HA 0.551 5.076 4.527 -0.004 0.000 0.314 1255 F C -0.034 175.430 175.800 -0.560 0.000 1.069 1255 F CA -0.900 56.483 58.000 -1.029 0.000 0.931 1255 F CB 1.453 39.642 39.000 -1.352 0.000 1.260 1255 F HN 0.069 nan 8.300 nan 0.000 0.465 1256 H N -1.050 117.905 119.070 -0.192 0.000 2.987 1256 H HA 0.359 4.912 4.556 -0.004 0.000 0.316 1256 H C -3.464 172.048 175.328 0.307 0.000 1.380 1256 H CA -2.381 53.708 56.048 0.068 0.000 1.160 1256 H CB 1.159 30.909 29.762 -0.021 0.000 1.865 1256 H HN 0.170 nan 8.280 nan 0.000 0.521 1257 P HA 0.066 nan 4.420 nan 0.000 0.262 1257 P C 1.073 178.576 177.300 0.339 0.000 1.182 1257 P CA 2.856 66.132 63.100 0.293 0.000 0.761 1257 P CB 0.326 32.137 31.700 0.185 0.000 0.795 1258 G N 2.501 111.446 108.800 0.241 0.000 2.284 1258 G HA2 -0.282 3.676 3.960 -0.004 0.000 0.230 1258 G HA3 -0.282 3.676 3.960 -0.004 0.000 0.230 1258 G C 0.086 175.092 174.900 0.178 0.000 1.021 1258 G CA -0.460 44.759 45.100 0.198 0.000 0.619 1258 G HN 0.533 nan 8.290 nan 0.000 0.510 1259 F N 2.823 122.771 119.950 -0.003 0.000 2.543 1259 F HA 0.515 5.040 4.527 -0.004 0.000 0.375 1259 F C 1.646 177.507 175.800 0.102 0.000 1.075 1259 F CA 0.566 58.499 58.000 -0.111 0.000 1.225 1259 F CB 0.192 38.875 39.000 -0.530 0.000 1.099 1259 F HN 0.371 nan 8.300 nan 0.000 0.561 1260 L N 4.248 125.142 121.223 -0.548 0.000 3.976 1260 L HA -0.428 3.909 4.340 -0.004 0.000 0.418 1260 L C 0.843 177.653 176.870 -0.101 0.000 1.177 1260 L CA 0.894 55.555 54.840 -0.298 0.000 0.968 1260 L CB -1.895 40.065 42.059 -0.164 0.000 1.933 1260 L HN 0.944 nan 8.230 nan 0.000 0.976 1261 N N -0.501 118.162 118.700 -0.061 0.000 2.741 1261 N HA -0.194 4.544 4.740 -0.004 0.000 0.250 1261 N C -0.009 175.476 175.510 -0.041 0.000 1.115 1261 N CA 1.209 54.240 53.050 -0.031 0.000 0.724 1261 N CB -0.530 37.930 38.487 -0.046 0.000 1.090 1261 N HN 0.537 nan 8.380 nan 0.000 0.558 1262 S N -1.143 114.540 115.700 -0.029 0.000 2.442 1262 S HA 0.509 4.977 4.470 -0.004 0.000 0.297 1262 S C 1.366 175.904 174.600 -0.103 0.000 1.131 1262 S CA 0.105 58.206 58.200 -0.165 0.000 1.092 1262 S CB 0.938 63.873 63.200 -0.442 0.000 0.998 1262 S HN 0.392 nan 8.310 nan 0.000 0.478 1263 S N 4.331 119.962 115.700 -0.115 0.000 2.428 1263 S HA 0.102 4.570 4.470 -0.004 0.000 0.230 1263 S C 0.598 175.170 174.600 -0.046 0.000 1.014 1263 S CA 0.300 58.475 58.200 -0.040 0.000 0.957 1263 S CB -0.328 62.855 63.200 -0.029 0.000 0.784 1263 S HN 0.739 nan 8.310 nan 0.000 0.499 1264 N N -0.747 117.843 118.700 -0.185 0.000 2.525 1264 N HA 0.513 5.250 4.740 -0.004 0.000 0.270 1264 N C -2.071 173.205 175.510 -0.389 0.000 1.321 1264 N CA -0.455 52.507 53.050 -0.147 0.000 0.797 1264 N CB 1.782 40.201 38.487 -0.114 0.000 1.529 1264 N HN 0.179 nan 8.380 nan 0.000 0.491 1265 Y N -0.063 120.196 120.300 -0.068 0.000 2.513 1265 Y HA 0.496 5.043 4.550 -0.004 0.000 0.340 1265 Y C -0.149 175.677 175.900 -0.124 0.000 1.055 1265 Y CA -0.672 57.358 58.100 -0.115 0.000 1.020 1265 Y CB 2.246 40.647 38.460 -0.099 0.000 1.301 1265 Y HN 0.218 nan 8.280 nan 0.000 0.453 1266 R N 2.226 122.725 120.500 -0.002 0.000 2.716 1266 R HA 0.595 4.933 4.340 -0.004 0.000 0.271 1266 R C -1.742 174.503 176.300 -0.091 0.000 1.028 1266 R CA -1.057 54.999 56.100 -0.074 0.000 0.883 1266 R CB 2.286 32.500 30.300 -0.143 0.000 1.250 1266 R HN 0.644 nan 8.270 nan 0.000 0.465 1267 I N -0.225 120.281 120.570 -0.107 0.000 6.624 1267 I HA -0.119 4.048 4.170 -0.004 0.000 0.126 1267 I C -2.517 173.607 176.117 0.011 0.000 1.828 1267 I CA -0.459 60.820 61.300 -0.034 0.000 2.037 1267 I CB -1.903 36.082 38.000 -0.026 0.000 3.518 1267 I HN 0.488 nan 8.210 nan 0.000 0.169 1268 P HA 0.549 nan 4.420 nan 0.000 0.278 1268 P C -0.358 176.987 177.300 0.075 0.000 1.238 1268 P CA -0.063 63.062 63.100 0.042 0.000 0.794 1268 P CB 2.016 33.751 31.700 0.059 0.000 0.955 1269 A N 2.673 125.543 122.820 0.083 0.000 2.422 1269 A HA 0.716 5.034 4.320 -0.004 0.000 0.302 1269 A C -1.676 176.015 177.584 0.178 0.000 1.041 1269 A CA -0.623 51.486 52.037 0.120 0.000 0.708 1269 A CB 1.210 20.266 19.000 0.093 0.000 1.257 1269 A HN 0.515 nan 8.150 nan 0.000 0.414 1270 L N 1.831 123.195 121.223 0.235 0.000 2.493 1270 L HA 0.904 5.242 4.340 -0.004 0.000 0.265 1270 L C -1.791 175.308 176.870 0.383 0.000 0.954 1270 L CA -0.396 54.623 54.840 0.297 0.000 0.844 1270 L CB 1.704 43.930 42.059 0.279 0.000 1.302 1270 L HN 0.787 nan 8.230 nan 0.000 0.405 1271 F N 4.042 124.112 119.950 0.200 0.000 2.615 1271 F HA 0.465 4.990 4.527 -0.004 0.000 0.312 1271 F C -1.275 174.624 175.800 0.166 0.000 1.119 1271 F CA -0.645 57.461 58.000 0.177 0.000 0.979 1271 F CB 1.476 40.585 39.000 0.182 0.000 1.266 1271 F HN 0.534 nan 8.300 nan 0.000 0.444 1272 K N 4.546 124.666 120.400 -0.466 0.000 2.234 1272 K HA 0.404 4.722 4.320 -0.004 0.000 0.277 1272 K C -0.219 176.124 176.600 -0.428 0.000 1.038 1272 K CA -0.323 55.789 56.287 -0.292 0.000 0.888 1272 K CB 1.194 33.569 32.500 -0.209 0.000 1.091 1272 K HN 0.805 nan 8.250 nan 0.000 0.467 1273 T N 0.464 114.998 114.554 -0.034 0.000 2.816 1273 T HA 0.105 4.453 4.350 -0.004 0.000 0.282 1273 T C 1.268 175.987 174.700 0.032 0.000 0.993 1273 T CA -0.455 61.719 62.100 0.122 0.000 0.994 1273 T CB 1.211 70.187 68.868 0.180 0.000 1.025 1273 T HN 0.740 nan 8.240 nan 0.000 0.529 1274 K N -0.022 120.428 120.400 0.084 0.000 2.160 1274 K HA -0.150 4.167 4.320 -0.004 0.000 0.206 1274 K C 1.672 178.281 176.600 0.015 0.000 1.047 1274 K CA 1.472 57.786 56.287 0.044 0.000 0.930 1274 K CB -0.033 32.505 32.500 0.064 0.000 0.720 1274 K HN 0.581 nan 8.250 nan 0.000 0.450 1275 E N -1.013 119.197 120.200 0.016 0.000 2.502 1275 E HA 0.013 4.360 4.350 -0.004 0.000 0.194 1275 E C 1.001 177.592 176.600 -0.015 0.000 1.062 1275 E CA 0.821 57.220 56.400 -0.001 0.000 0.867 1275 E CB 0.733 30.431 29.700 -0.003 0.000 0.888 1275 E HN 0.590 nan 8.360 nan 0.000 0.510 1276 G N 1.265 110.053 108.800 -0.020 0.000 2.159 1276 G HA2 -0.230 3.727 3.960 -0.004 0.000 0.227 1276 G HA3 -0.230 3.727 3.960 -0.004 0.000 0.227 1276 G C 0.457 175.328 174.900 -0.049 0.000 0.986 1276 G CA 0.381 45.458 45.100 -0.038 0.000 0.651 1276 G HN 0.231 nan 8.290 nan 0.000 0.523 1277 T N 1.592 116.130 114.554 -0.028 0.000 2.897 1277 T HA 0.575 4.922 4.350 -0.004 0.000 0.294 1277 T C 0.712 175.405 174.700 -0.013 0.000 1.004 1277 T CA -0.073 62.005 62.100 -0.037 0.000 1.106 1277 T CB 1.265 70.135 68.868 0.003 0.000 0.949 1277 T HN 0.317 nan 8.240 nan 0.000 0.520 1278 L N 3.829 125.004 121.223 -0.081 0.000 2.289 1278 L HA 0.494 4.832 4.340 -0.004 0.000 0.285 1278 L C -0.265 176.711 176.870 0.177 0.000 1.049 1278 L CA -0.931 53.919 54.840 0.016 0.000 0.804 1278 L CB 0.795 42.785 42.059 -0.116 0.000 1.195 1278 L HN 0.370 nan 8.230 nan 0.000 0.428 1279 I N 2.854 123.622 120.570 0.330 0.000 2.362 1279 I HA 0.484 4.652 4.170 -0.004 0.000 0.289 1279 I C 0.176 176.540 176.117 0.411 0.000 0.994 1279 I CA -0.399 61.144 61.300 0.405 0.000 1.158 1279 I CB 1.616 39.878 38.000 0.436 0.000 1.315 1279 I HN 0.597 nan 8.210 nan 0.000 0.451 1280 A N 5.452 128.508 122.820 0.393 0.000 2.304 1280 A HA 0.752 5.069 4.320 -0.004 0.000 0.314 1280 A C 0.017 177.753 177.584 0.253 0.000 1.187 1280 A CA -0.410 51.790 52.037 0.271 0.000 0.810 1280 A CB 1.009 20.045 19.000 0.060 0.000 1.183 1280 A HN 0.754 nan 8.150 nan 0.000 0.487 1281 S N 1.560 117.341 115.700 0.135 0.000 2.648 1281 S HA 0.913 5.381 4.470 -0.004 0.000 0.305 1281 S C -0.630 173.885 174.600 -0.142 0.000 1.094 1281 S CA -0.569 57.625 58.200 -0.011 0.000 0.983 1281 S CB 1.479 64.645 63.200 -0.057 0.000 1.101 1281 S HN 1.339 nan 8.310 nan 0.000 0.514 1282 I N 0.161 120.567 120.570 -0.273 0.000 2.897 1282 I HA 0.396 4.564 4.170 -0.004 0.000 0.299 1282 I C -2.125 173.863 176.117 -0.214 0.000 1.527 1282 I CA -0.362 60.732 61.300 -0.344 0.000 0.979 1282 I CB 2.256 39.694 38.000 -0.937 0.000 1.360 1282 I HN 0.729 nan 8.210 nan 0.000 0.495 1283 D N 4.668 124.985 120.400 -0.138 0.000 2.317 1283 D HA 0.572 5.210 4.640 -0.004 0.000 0.252 1283 D C -0.337 175.858 176.300 -0.174 0.000 1.174 1283 D CA 0.189 54.119 54.000 -0.116 0.000 0.866 1283 D CB 1.448 42.194 40.800 -0.090 0.000 1.127 1283 D HN 0.615 nan 8.370 nan 0.000 0.467 1284 A N 4.337 127.012 122.820 -0.241 0.000 2.506 1284 A HA 0.254 4.572 4.320 -0.004 0.000 0.320 1284 A C 0.295 177.639 177.584 -0.399 0.000 1.424 1284 A CA -0.601 51.118 52.037 -0.529 0.000 1.044 1284 A CB 0.031 18.837 19.000 -0.325 0.000 1.140 1284 A HN 0.375 nan 8.150 nan 0.000 0.538 1285 R N 2.462 122.708 120.500 -0.423 0.000 2.196 1285 R HA 0.249 4.587 4.340 -0.004 0.000 0.340 1285 R C 0.200 176.325 176.300 -0.291 0.000 1.043 1285 R CA -0.611 55.329 56.100 -0.267 0.000 0.883 1285 R CB 0.976 31.164 30.300 -0.187 0.000 1.078 1285 R HN 0.598 nan 8.270 nan 0.000 0.462 1286 R N 1.192 121.495 120.500 -0.329 0.000 2.276 1286 R HA 0.028 4.366 4.340 -0.004 0.000 0.196 1286 R C 0.278 176.329 176.300 -0.414 0.000 0.961 1286 R CA 0.762 56.608 56.100 -0.422 0.000 1.024 1286 R CB 0.185 30.171 30.300 -0.524 0.000 0.940 1286 R HN 0.655 nan 8.270 nan 0.000 0.480 1287 H N -0.340 118.689 119.070 -0.069 0.000 2.591 1287 H HA 0.399 4.952 4.556 -0.004 0.000 0.241 1287 H C 0.396 175.693 175.328 -0.052 0.000 1.292 1287 H CA -0.013 56.004 56.048 -0.051 0.000 1.022 1287 H CB 0.844 30.583 29.762 -0.039 0.000 1.875 1287 H HN 0.349 nan 8.280 nan 0.000 0.570 1288 G N -0.327 108.485 108.800 0.020 0.000 2.483 1288 G HA2 -0.147 3.810 3.960 -0.004 0.000 0.521 1288 G HA3 -0.147 3.810 3.960 -0.004 0.000 0.521 1288 G C 0.771 175.647 174.900 -0.040 0.000 1.278 1288 G CA -0.428 44.668 45.100 -0.006 0.000 0.965 1288 G HN 0.374 nan 8.290 nan 0.000 0.504 1289 G N -0.038 108.738 108.800 -0.041 0.000 3.088 1289 G HA2 0.635 4.593 3.960 -0.004 0.000 0.217 1289 G HA3 0.635 4.593 3.960 -0.004 0.000 0.217 1289 G C 0.997 175.866 174.900 -0.051 0.000 1.159 1289 G CA 1.543 46.609 45.100 -0.058 0.000 0.760 1289 G HN 1.946 nan 8.290 nan 0.000 0.550 1290 A N 0.696 123.498 122.820 -0.030 0.000 2.448 1290 A HA 0.425 4.743 4.320 -0.004 0.000 0.239 1290 A C 0.013 177.585 177.584 -0.019 0.000 1.080 1290 A CA -0.231 51.794 52.037 -0.021 0.000 0.779 1290 A CB 0.341 19.335 19.000 -0.011 0.000 1.026 1290 A HN 0.232 nan 8.150 nan 0.000 0.499 1291 D N 0.356 120.751 120.400 -0.009 0.000 2.360 1291 D HA 0.427 5.064 4.640 -0.004 0.000 0.242 1291 D C 0.739 177.038 176.300 -0.002 0.000 1.184 1291 D CA 0.739 54.738 54.000 -0.001 0.000 0.930 1291 D CB 0.595 41.403 40.800 0.013 0.000 1.161 1291 D HN 0.754 nan 8.370 nan 0.000 0.447 1292 A N 1.689 124.506 122.820 -0.006 0.000 2.561 1292 A HA 0.174 4.491 4.320 -0.004 0.000 0.234 1292 A C -1.388 176.122 177.584 -0.123 0.000 1.055 1292 A CA -0.541 51.458 52.037 -0.063 0.000 0.756 1292 A CB -0.024 18.922 19.000 -0.091 0.000 0.986 1292 A HN 0.430 nan 8.150 nan 0.000 0.505 1293 P HA 0.037 nan 4.420 nan 0.000 0.261 1293 P C -0.194 177.079 177.300 -0.045 0.000 1.268 1293 P CA 0.156 63.194 63.100 -0.104 0.000 0.833 1293 P CB 0.164 31.769 31.700 -0.158 0.000 1.231 1294 N N 1.422 120.104 118.700 -0.030 0.000 3.091 1294 N HA 0.103 4.841 4.740 -0.004 0.000 0.301 1294 N C 0.014 175.537 175.510 0.021 0.000 1.325 1294 N CA 0.354 53.396 53.050 -0.014 0.000 1.143 1294 N CB -0.254 38.220 38.487 -0.022 0.000 1.450 1294 N HN 0.219 nan 8.380 nan 0.000 0.542 1295 N N 0.180 118.910 118.700 0.050 0.000 3.373 1295 N HA 0.117 4.854 4.740 -0.004 0.000 0.275 1295 N C -2.254 173.332 175.510 0.127 0.000 1.489 1295 N CA -0.337 52.771 53.050 0.098 0.000 0.872 1295 N CB 1.443 39.950 38.487 0.033 0.000 1.555 1295 N HN -0.053 nan 8.380 nan 0.000 0.500 1296 D N 1.330 121.778 120.400 0.080 0.000 2.476 1296 D HA 0.462 5.100 4.640 -0.004 0.000 0.251 1296 D C -0.977 175.278 176.300 -0.075 0.000 1.291 1296 D CA -0.123 53.893 54.000 0.026 0.000 0.939 1296 D CB 0.509 41.329 40.800 0.033 0.000 1.221 1296 D HN 0.440 nan 8.370 nan 0.000 0.567 1297 I N 2.679 123.249 120.570 -0.001 0.000 2.433 1297 I HA 0.341 4.508 4.170 -0.004 0.000 0.292 1297 I C -0.102 176.016 176.117 0.002 0.000 1.001 1297 I CA -0.811 60.470 61.300 -0.032 0.000 1.119 1297 I CB 1.890 39.893 38.000 0.004 0.000 1.289 1297 I HN 0.099 nan 8.210 nan 0.000 0.438 1298 D N 3.471 123.835 120.400 -0.059 0.000 2.374 1298 D HA 0.406 5.044 4.640 -0.004 0.000 0.239 1298 D C -0.526 175.733 176.300 -0.068 0.000 0.991 1298 D CA -0.389 53.582 54.000 -0.049 0.000 0.960 1298 D CB 2.103 42.855 40.800 -0.079 0.000 1.284 1298 D HN 0.321 nan 8.370 nan 0.000 0.512 1299 T N 0.518 115.028 114.554 -0.073 0.000 2.767 1299 T HA 0.648 4.995 4.350 -0.004 0.000 0.284 1299 T C -0.202 174.433 174.700 -0.109 0.000 0.973 1299 T CA -0.519 61.519 62.100 -0.104 0.000 0.996 1299 T CB 1.192 69.981 68.868 -0.131 0.000 0.927 1299 T HN 0.421 nan 8.240 nan 0.000 0.456 1300 A N 2.961 125.723 122.820 -0.096 0.000 2.356 1300 A HA 0.895 5.213 4.320 -0.004 0.000 0.323 1300 A C -0.856 176.715 177.584 -0.021 0.000 1.119 1300 A CA -0.660 51.367 52.037 -0.015 0.000 0.790 1300 A CB 1.277 20.351 19.000 0.125 0.000 1.273 1300 A HN 0.661 nan 8.150 nan 0.000 0.452 1301 V N 1.548 121.528 119.914 0.109 0.000 2.760 1301 V HA 0.554 4.672 4.120 -0.004 0.000 0.309 1301 V C -0.297 175.998 176.094 0.336 0.000 1.077 1301 V CA -0.626 61.782 62.300 0.180 0.000 0.910 1301 V CB 1.991 33.849 31.823 0.058 0.000 1.008 1301 V HN 1.003 nan 8.190 nan 0.000 0.424 1302 R N 2.837 123.564 120.500 0.378 0.000 2.803 1302 R HA 0.793 5.130 4.340 -0.004 0.000 0.276 1302 R C -0.948 175.617 176.300 0.443 0.000 0.978 1302 R CA -0.982 55.321 56.100 0.338 0.000 0.939 1302 R CB 2.846 33.204 30.300 0.096 0.000 1.179 1302 R HN 0.617 nan 8.270 nan 0.000 0.472 1303 R N 0.132 120.878 120.500 0.409 0.000 2.740 1303 R HA 0.422 4.759 4.340 -0.004 0.000 0.282 1303 R C -0.966 175.359 176.300 0.042 0.000 0.969 1303 R CA -0.672 55.591 56.100 0.271 0.000 0.918 1303 R CB 2.380 32.781 30.300 0.168 0.000 1.175 1303 R HN 0.439 nan 8.270 nan 0.000 0.464 1304 S N 0.644 116.117 115.700 -0.379 0.000 2.532 1304 S HA 0.221 4.688 4.470 -0.004 0.000 0.299 1304 S C -0.150 174.213 174.600 -0.395 0.000 1.105 1304 S CA -0.646 57.134 58.200 -0.700 0.000 1.018 1304 S CB 1.317 63.518 63.200 -1.665 0.000 1.021 1304 S HN 0.697 nan 8.310 nan 0.000 0.483 1305 E N 1.984 122.018 120.200 -0.277 0.000 2.501 1305 E HA 0.090 4.438 4.350 -0.004 0.000 0.200 1305 E C -0.581 175.919 176.600 -0.168 0.000 1.016 1305 E CA 0.074 56.369 56.400 -0.174 0.000 0.921 1305 E CB 0.330 29.966 29.700 -0.106 0.000 1.034 1305 E HN 0.732 nan 8.360 nan 0.000 0.468 1306 D N -0.835 119.427 120.400 -0.230 0.000 2.720 1306 D HA 0.138 4.776 4.640 -0.004 0.000 0.285 1306 D C 0.882 177.074 176.300 -0.179 0.000 1.359 1306 D CA -0.344 53.554 54.000 -0.171 0.000 0.818 1306 D CB 0.257 40.973 40.800 -0.140 0.000 1.108 1306 D HN 0.079 nan 8.370 nan 0.000 0.474 1307 G N -0.222 108.455 108.800 -0.205 0.000 2.176 1307 G HA2 0.014 3.972 3.960 -0.004 0.000 0.252 1307 G HA3 0.014 3.972 3.960 -0.004 0.000 0.252 1307 G C 1.146 175.951 174.900 -0.158 0.000 1.024 1307 G CA 0.350 45.365 45.100 -0.141 0.000 0.755 1307 G HN 1.469 nan 8.290 nan 0.000 0.507 1308 G N -1.300 107.244 108.800 -0.428 0.000 2.157 1308 G HA2 -0.240 3.717 3.960 -0.004 0.000 0.239 1308 G HA3 -0.240 3.717 3.960 -0.004 0.000 0.239 1308 G C 1.209 175.980 174.900 -0.214 0.000 0.982 1308 G CA 1.181 45.969 45.100 -0.519 0.000 0.650 1308 G HN 0.767 nan 8.290 nan 0.000 0.527 1309 K N 0.334 120.615 120.400 -0.198 0.000 2.116 1309 K HA 0.119 4.437 4.320 -0.004 0.000 0.203 1309 K C 1.475 178.037 176.600 -0.063 0.000 1.052 1309 K CA 1.744 58.003 56.287 -0.048 0.000 0.952 1309 K CB -0.202 32.275 32.500 -0.039 0.000 0.729 1309 K HN 0.926 nan 8.250 nan 0.000 0.446 1310 T N -2.642 111.771 114.554 -0.235 0.000 2.903 1310 T HA 0.602 4.950 4.350 -0.004 0.000 0.299 1310 T C -1.283 173.202 174.700 -0.358 0.000 1.093 1310 T CA -0.943 61.077 62.100 -0.133 0.000 1.002 1310 T CB 1.547 70.377 68.868 -0.064 0.000 1.127 1310 T HN 0.094 nan 8.240 nan 0.000 0.488 1311 W N 1.206 122.453 121.300 -0.090 0.000 2.950 1311 W HA 0.502 5.160 4.660 -0.004 0.000 0.340 1311 W C -0.209 176.287 176.519 -0.038 0.000 1.139 1311 W CA -0.564 56.719 57.345 -0.103 0.000 1.188 1311 W CB 1.446 30.782 29.460 -0.207 0.000 1.426 1311 W HN 0.967 nan 8.180 nan 0.000 0.531 1312 D N 0.053 120.594 120.400 0.236 0.000 2.414 1312 D HA 0.018 4.655 4.640 -0.004 0.000 0.259 1312 D C 0.721 177.166 176.300 0.241 0.000 1.269 1312 D CA 0.016 54.126 54.000 0.183 0.000 1.028 1312 D CB 0.644 41.535 40.800 0.152 0.000 1.093 1312 D HN 0.377 nan 8.370 nan 0.000 0.545 1313 E N -0.898 119.421 120.200 0.198 0.000 2.511 1313 E HA 0.207 4.555 4.350 -0.004 0.000 0.196 1313 E C 0.826 177.559 176.600 0.221 0.000 1.066 1313 E CA 0.713 57.233 56.400 0.201 0.000 0.871 1313 E CB -0.574 29.173 29.700 0.078 0.000 0.863 1313 E HN 0.685 nan 8.360 nan 0.000 0.520 1314 G N 2.060 111.035 108.800 0.292 0.000 2.758 1314 G HA2 -0.201 3.756 3.960 -0.004 0.000 0.686 1314 G HA3 -0.201 3.756 3.960 -0.004 0.000 0.686 1314 G C -0.564 174.437 174.900 0.169 0.000 1.389 1314 G CA -0.152 45.142 45.100 0.324 0.000 0.845 1314 G HN 0.215 nan 8.290 nan 0.000 0.572 1315 Q N -0.667 119.240 119.800 0.178 0.000 2.435 1315 Q HA 0.698 5.036 4.340 -0.004 0.000 0.282 1315 Q C -0.886 175.153 176.000 0.065 0.000 1.020 1315 Q CA -1.329 54.532 55.803 0.097 0.000 0.820 1315 Q CB 1.813 30.621 28.738 0.115 0.000 1.436 1315 Q HN 0.633 nan 8.270 nan 0.000 0.395 1316 I N 3.611 124.190 120.570 0.015 0.000 2.325 1316 I HA 0.182 4.349 4.170 -0.004 0.000 0.291 1316 I C 0.998 177.078 176.117 -0.060 0.000 1.019 1316 I CA -0.427 60.857 61.300 -0.028 0.000 1.302 1316 I CB 0.934 38.908 38.000 -0.042 0.000 1.401 1316 I HN 0.886 nan 8.210 nan 0.000 0.485 1317 I N 2.708 123.206 120.570 -0.121 0.000 4.187 1317 I HA 0.351 4.519 4.170 -0.004 0.000 0.326 1317 I C 0.288 176.309 176.117 -0.161 0.000 1.302 1317 I CA 0.302 61.509 61.300 -0.155 0.000 1.196 1317 I CB 0.510 38.303 38.000 -0.343 0.000 1.095 1317 I HN 0.337 nan 8.210 nan 0.000 0.411 1318 M N 1.725 121.228 119.600 -0.162 0.000 2.378 1318 M HA 0.458 4.935 4.480 -0.004 0.000 0.289 1318 M C -1.986 174.211 176.300 -0.171 0.000 1.136 1318 M CA -0.443 54.742 55.300 -0.191 0.000 0.917 1318 M CB 2.686 35.208 32.600 -0.131 0.000 1.669 1318 M HN -0.007 nan 8.290 nan 0.000 0.461 1319 D N 2.480 122.710 120.400 -0.283 0.000 2.738 1319 D HA 0.315 4.952 4.640 -0.004 0.000 0.218 1319 D C -2.096 174.020 176.300 -0.306 0.000 1.345 1319 D CA -0.124 53.770 54.000 -0.177 0.000 0.943 1319 D CB 1.079 41.799 40.800 -0.133 0.000 1.514 1319 D HN 0.383 nan 8.370 nan 0.000 0.585 1320 Y N 2.629 122.914 120.300 -0.024 0.000 2.496 1320 Y HA 0.586 5.133 4.550 -0.004 0.000 0.331 1320 Y C -1.582 174.336 175.900 0.031 0.000 1.140 1320 Y CA -1.518 56.588 58.100 0.010 0.000 1.166 1320 Y CB 1.503 40.011 38.460 0.080 0.000 1.249 1320 Y HN 0.192 nan 8.280 nan 0.000 0.479 1321 P HA 0.085 nan 4.420 nan 0.000 0.281 1321 P C -0.674 176.702 177.300 0.127 0.000 1.264 1321 P CA -0.258 62.910 63.100 0.114 0.000 0.824 1321 P CB 0.975 32.718 31.700 0.071 0.000 1.092 1322 D N 0.730 121.188 120.400 0.097 0.000 2.689 1322 D HA -0.196 4.441 4.640 -0.004 0.000 0.237 1322 D C -0.180 176.179 176.300 0.099 0.000 1.148 1322 D CA 1.189 55.240 54.000 0.085 0.000 0.656 1322 D CB -1.579 39.257 40.800 0.061 0.000 1.050 1322 D HN 0.601 nan 8.370 nan 0.000 0.426 1323 K N -1.974 118.500 120.400 0.123 0.000 3.341 1323 K HA -0.243 4.074 4.320 -0.004 0.000 0.305 1323 K C -0.077 176.601 176.600 0.130 0.000 1.270 1323 K CA 0.923 57.284 56.287 0.122 0.000 0.897 1323 K CB -1.885 30.668 32.500 0.089 0.000 1.264 1323 K HN 0.392 nan 8.250 nan 0.000 0.468 1324 S N 0.819 116.617 115.700 0.164 0.000 2.528 1324 S HA 0.363 4.831 4.470 -0.004 0.000 0.277 1324 S C -0.112 174.641 174.600 0.254 0.000 1.297 1324 S CA -0.335 57.985 58.200 0.201 0.000 1.052 1324 S CB 0.996 64.333 63.200 0.229 0.000 0.917 1324 S HN 0.250 nan 8.310 nan 0.000 0.492 1325 S N 2.622 118.487 115.700 0.275 0.000 2.532 1325 S HA 0.648 5.115 4.470 -0.004 0.000 0.301 1325 S C -0.709 174.108 174.600 0.363 0.000 1.083 1325 S CA -0.786 57.583 58.200 0.282 0.000 1.025 1325 S CB 1.659 64.998 63.200 0.232 0.000 1.056 1325 S HN 0.821 nan 8.310 nan 0.000 0.494 1326 V N 1.521 121.603 119.914 0.280 0.000 2.417 1326 V HA 0.776 4.894 4.120 -0.004 0.000 0.291 1326 V C -0.423 175.766 176.094 0.157 0.000 1.024 1326 V CA -0.628 61.806 62.300 0.222 0.000 0.861 1326 V CB 0.951 32.877 31.823 0.172 0.000 0.985 1326 V HN 0.866 nan 8.190 nan 0.000 0.436 1327 I N 3.124 123.796 120.570 0.170 0.000 2.607 1327 I HA 0.629 4.797 4.170 -0.004 0.000 0.290 1327 I C -1.675 174.530 176.117 0.147 0.000 1.129 1327 I CA 0.050 61.446 61.300 0.159 0.000 1.042 1327 I CB 1.793 39.940 38.000 0.246 0.000 1.242 1327 I HN 0.901 nan 8.210 nan 0.000 0.421 1328 D N 4.249 124.713 120.400 0.108 0.000 4.494 1328 D HA -0.103 4.534 4.640 -0.004 0.000 0.243 1328 D C -0.454 175.894 176.300 0.081 0.000 1.082 1328 D CA 1.142 55.216 54.000 0.125 0.000 1.170 1328 D CB -0.579 40.348 40.800 0.212 0.000 0.792 1328 D HN 0.787 nan 8.370 nan 0.000 0.376 1329 T N -1.111 113.471 114.554 0.046 0.000 2.943 1329 T HA 0.794 5.141 4.350 -0.004 0.000 0.284 1329 T C 0.211 174.930 174.700 0.032 0.000 1.015 1329 T CA -0.526 61.582 62.100 0.013 0.000 1.042 1329 T CB 2.797 71.646 68.868 -0.032 0.000 1.055 1329 T HN 0.308 nan 8.240 nan 0.000 0.500 1330 T N 0.878 115.443 114.554 0.017 0.000 2.916 1330 T HA 0.624 4.971 4.350 -0.004 0.000 0.305 1330 T C -1.620 173.091 174.700 0.019 0.000 1.119 1330 T CA -0.792 61.328 62.100 0.033 0.000 1.008 1330 T CB 0.963 69.852 68.868 0.036 0.000 1.129 1330 T HN 0.662 nan 8.240 nan 0.000 0.480 1331 L N 4.139 125.366 121.223 0.007 0.000 2.362 1331 L HA 0.862 5.199 4.340 -0.004 0.000 0.271 1331 L C -0.903 175.773 176.870 -0.323 0.000 1.002 1331 L CA -0.932 53.842 54.840 -0.111 0.000 0.818 1331 L CB 1.976 43.987 42.059 -0.080 0.000 1.298 1331 L HN 0.617 nan 8.230 nan 0.000 0.420 1332 I N 1.543 121.881 120.570 -0.388 0.000 3.149 1332 I HA 0.447 4.615 4.170 -0.004 0.000 0.310 1332 I C -1.610 174.400 176.117 -0.179 0.000 1.343 1332 I CA -0.220 60.833 61.300 -0.411 0.000 0.955 1332 I CB 2.479 40.499 38.000 0.035 0.000 1.309 1332 I HN 0.706 nan 8.210 nan 0.000 0.478 1333 Q N 2.025 121.875 119.800 0.082 0.000 2.416 1333 Q HA 0.426 4.763 4.340 -0.004 0.000 0.281 1333 Q C -1.978 174.225 176.000 0.337 0.000 1.067 1333 Q CA -0.721 55.243 55.803 0.267 0.000 0.809 1333 Q CB 1.826 30.760 28.738 0.326 0.000 1.418 1333 Q HN 0.611 nan 8.270 nan 0.000 0.411 1334 D N 1.537 122.143 120.400 0.343 0.000 2.313 1334 D HA 0.135 4.773 4.640 -0.004 0.000 0.239 1334 D C -0.120 176.280 176.300 0.166 0.000 1.142 1334 D CA -0.070 54.088 54.000 0.263 0.000 0.847 1334 D CB 1.246 42.231 40.800 0.308 0.000 1.082 1334 D HN 0.478 nan 8.370 nan 0.000 0.480 1335 D N 2.551 123.037 120.400 0.143 0.000 2.219 1335 D HA -0.147 4.490 4.640 -0.004 0.000 0.205 1335 D C 1.468 177.810 176.300 0.070 0.000 0.970 1335 D CA 0.746 54.809 54.000 0.104 0.000 0.851 1335 D CB 0.169 41.026 40.800 0.095 0.000 0.943 1335 D HN 0.718 nan 8.370 nan 0.000 0.488 1336 E N -0.222 120.017 120.200 0.065 0.000 2.047 1336 E HA -0.149 4.198 4.350 -0.004 0.000 0.191 1336 E C 1.618 178.237 176.600 0.032 0.000 0.987 1336 E CA 1.775 58.200 56.400 0.041 0.000 0.799 1336 E CB 0.169 29.890 29.700 0.035 0.000 0.752 1336 E HN 0.353 nan 8.360 nan 0.000 0.449 1337 T N -4.288 110.289 114.554 0.038 0.000 3.014 1337 T HA 0.305 4.653 4.350 -0.004 0.000 0.250 1337 T C 1.477 176.179 174.700 0.002 0.000 1.060 1337 T CA 0.553 62.662 62.100 0.014 0.000 1.040 1337 T CB 0.740 69.613 68.868 0.008 0.000 0.971 1337 T HN 0.352 nan 8.240 nan 0.000 0.497 1338 G N 1.992 110.805 108.800 0.023 0.000 2.184 1338 G HA2 -0.324 3.634 3.960 -0.004 0.000 0.264 1338 G HA3 -0.324 3.634 3.960 -0.004 0.000 0.264 1338 G C 0.156 175.034 174.900 -0.037 0.000 0.975 1338 G CA 0.230 45.337 45.100 0.012 0.000 0.642 1338 G HN 0.877 nan 8.290 nan 0.000 0.536 1339 R N 0.331 120.779 120.500 -0.086 0.000 2.442 1339 R HA 0.521 4.858 4.340 -0.004 0.000 0.291 1339 R C 0.278 176.359 176.300 -0.366 0.000 1.069 1339 R CA -0.340 55.599 56.100 -0.268 0.000 1.022 1339 R CB 0.098 30.163 30.300 -0.391 0.000 0.976 1339 R HN 0.287 nan 8.270 nan 0.000 0.443 1340 I N 5.097 125.446 120.570 -0.368 0.000 2.385 1340 I HA 0.270 4.438 4.170 -0.004 0.000 0.294 1340 I C -0.642 175.286 176.117 -0.315 0.000 0.988 1340 I CA -0.507 60.658 61.300 -0.225 0.000 1.265 1340 I CB 1.056 39.014 38.000 -0.071 0.000 1.388 1340 I HN 0.460 nan 8.210 nan 0.000 0.480 1341 F N 6.098 126.174 119.950 0.211 0.000 2.480 1341 F HA 0.639 5.164 4.527 -0.004 0.000 0.329 1341 F C -0.273 175.659 175.800 0.220 0.000 1.091 1341 F CA -0.746 57.421 58.000 0.279 0.000 0.972 1341 F CB 1.645 40.784 39.000 0.233 0.000 1.150 1341 F HN 0.234 nan 8.300 nan 0.000 0.467 1342 L N 4.234 125.687 121.223 0.383 0.000 2.409 1342 L HA 0.727 5.065 4.340 -0.004 0.000 0.272 1342 L C -1.845 175.068 176.870 0.071 0.000 0.980 1342 L CA -0.612 54.297 54.840 0.115 0.000 0.826 1342 L CB 1.290 43.256 42.059 -0.154 0.000 1.268 1342 L HN 0.531 nan 8.230 nan 0.000 0.407 1343 L N 5.455 126.683 121.223 0.008 0.000 2.333 1343 L HA 0.828 5.166 4.340 -0.004 0.000 0.269 1343 L C -0.512 176.329 176.870 -0.048 0.000 1.010 1343 L CA -0.646 54.162 54.840 -0.053 0.000 0.818 1343 L CB 1.969 43.937 42.059 -0.152 0.000 1.306 1343 L HN 0.423 nan 8.230 nan 0.000 0.430 1344 V N -0.405 119.479 119.914 -0.049 0.000 3.178 1344 V HA 0.579 4.697 4.120 -0.004 0.000 0.302 1344 V C -0.877 175.199 176.094 -0.029 0.000 1.262 1344 V CA -0.345 61.944 62.300 -0.018 0.000 1.030 1344 V CB 2.988 34.809 31.823 -0.002 0.000 1.074 1344 V HN 0.804 nan 8.190 nan 0.000 0.438 1345 T N 3.966 118.513 114.554 -0.012 0.000 2.845 1345 T HA 0.432 4.779 4.350 -0.004 0.000 0.288 1345 T C -0.698 173.969 174.700 -0.054 0.000 0.980 1345 T CA 0.041 62.080 62.100 -0.103 0.000 1.071 1345 T CB 0.124 68.939 68.868 -0.088 0.000 0.941 1345 T HN 0.739 nan 8.240 nan 0.000 0.487 1346 H N 2.356 121.258 119.070 -0.279 0.000 2.495 1346 H HA 0.534 5.087 4.556 -0.004 0.000 0.348 1346 H C -1.559 173.561 175.328 -0.347 0.000 1.113 1346 H CA -1.002 54.917 56.048 -0.215 0.000 1.195 1346 H CB 0.796 30.450 29.762 -0.180 0.000 1.521 1346 H HN 0.450 nan 8.280 nan 0.000 0.509 1347 F N 4.442 124.241 119.950 -0.251 0.000 2.540 1347 F HA 0.336 4.861 4.527 -0.003 0.000 0.317 1347 F C -2.151 173.425 175.800 -0.373 0.000 1.104 1347 F CA -2.304 55.555 58.000 -0.235 0.000 0.913 1347 F CB 1.788 40.807 39.000 0.031 0.000 1.170 1347 F HN 0.486 nan 8.300 nan 0.000 0.450 1348 P HA -0.008 nan 4.420 nan 0.000 0.270 1348 P C -0.295 177.136 177.300 0.218 0.000 1.227 1348 P CA -0.195 62.927 63.100 0.036 0.000 0.788 1348 P CB 0.582 32.331 31.700 0.082 0.000 0.926 1349 S N 1.505 117.307 115.700 0.169 0.000 2.558 1349 S HA -0.047 4.420 4.470 -0.004 0.000 0.293 1349 S C 0.531 175.207 174.600 0.127 0.000 1.292 1349 S CA 0.665 58.946 58.200 0.135 0.000 1.063 1349 S CB -0.891 62.368 63.200 0.098 0.000 0.831 1349 S HN 0.497 nan 8.310 nan 0.000 0.499 1350 K N 1.104 121.483 120.400 -0.036 0.000 3.533 1350 K HA -0.173 4.145 4.320 -0.004 0.000 0.289 1350 K C -0.962 175.262 176.600 -0.627 0.000 1.317 1350 K CA 1.019 57.124 56.287 -0.304 0.000 0.967 1350 K CB -1.578 30.693 32.500 -0.382 0.000 1.323 1350 K HN 0.645 nan 8.250 nan 0.000 0.477 1351 Y N 0.086 120.360 120.300 -0.043 0.000 2.509 1351 Y HA 0.685 5.232 4.550 -0.004 0.000 0.341 1351 Y C 0.998 176.605 175.900 -0.489 0.000 1.038 1351 Y CA 0.068 58.101 58.100 -0.111 0.000 1.089 1351 Y CB 2.532 41.036 38.460 0.072 0.000 1.241 1351 Y HN 0.115 nan 8.280 nan 0.000 0.468 1352 G N 0.203 108.646 108.800 -0.595 0.000 2.634 1352 G HA2 0.141 4.098 3.960 -0.004 0.000 0.309 1352 G HA3 0.141 4.098 3.960 -0.004 0.000 0.309 1352 G C -0.493 174.014 174.900 -0.654 0.000 1.299 1352 G CA -0.684 43.648 45.100 -1.281 0.000 0.798 1352 G HN 0.546 nan 8.290 nan 0.000 0.490 1353 F N -0.274 119.355 119.950 -0.535 0.000 2.120 1353 F HA -0.051 4.473 4.527 -0.005 0.000 0.300 1353 F C 1.983 177.561 175.800 -0.370 0.000 1.095 1353 F CA 2.178 59.877 58.000 -0.501 0.000 1.249 1353 F CB -0.044 38.438 39.000 -0.864 0.000 0.995 1353 F HN 0.431 nan 8.300 nan 0.000 0.480 1354 W N 0.377 121.599 121.300 -0.130 0.000 2.576 1354 W HA -0.029 4.630 4.660 -0.002 0.000 0.270 1354 W C 1.669 178.110 176.519 -0.131 0.000 1.255 1354 W CA 0.757 58.017 57.345 -0.141 0.000 1.314 1354 W CB -0.348 29.125 29.460 0.022 0.000 1.101 1354 W HN 0.186 nan 8.180 nan 0.000 0.595 1355 N N 0.076 118.848 118.700 0.119 0.000 2.235 1355 N HA 0.206 4.944 4.740 -0.004 0.000 0.231 1355 N C -0.011 175.619 175.510 0.199 0.000 1.177 1355 N CA -0.021 53.105 53.050 0.128 0.000 0.874 1355 N CB -0.692 37.843 38.487 0.081 0.000 1.097 1355 N HN -0.145 nan 8.380 nan 0.000 0.518 1356 A N 0.395 123.304 122.820 0.148 0.000 2.540 1356 A HA 0.524 4.842 4.320 -0.004 0.000 0.239 1356 A C 0.955 178.570 177.584 0.053 0.000 1.061 1356 A CA 0.260 52.399 52.037 0.171 0.000 0.758 1356 A CB -0.371 18.759 19.000 0.217 0.000 0.991 1356 A HN 0.407 nan 8.150 nan 0.000 0.502 1357 G N 0.715 109.496 108.800 -0.033 0.000 2.562 1357 G HA2 0.478 4.435 3.960 -0.004 0.000 0.275 1357 G HA3 0.478 4.435 3.960 -0.004 0.000 0.275 1357 G C -0.029 174.819 174.900 -0.086 0.000 1.196 1357 G CA -0.896 44.163 45.100 -0.069 0.000 0.908 1357 G HN 0.771 nan 8.290 nan 0.000 0.524 1358 L N 1.012 122.197 121.223 -0.063 0.000 2.453 1358 L HA 0.445 4.782 4.340 -0.004 0.000 0.272 1358 L C 1.248 178.064 176.870 -0.090 0.000 1.182 1358 L CA 1.369 56.175 54.840 -0.057 0.000 0.858 1358 L CB 0.281 42.334 42.059 -0.011 0.000 1.120 1358 L HN 1.134 nan 8.230 nan 0.000 0.474 1359 G N 1.760 110.485 108.800 -0.124 0.000 2.728 1359 G HA2 -0.257 3.701 3.960 -0.004 0.000 0.294 1359 G HA3 -0.257 3.701 3.960 -0.004 0.000 0.294 1359 G C 0.488 175.307 174.900 -0.136 0.000 1.342 1359 G CA -0.100 44.926 45.100 -0.124 0.000 0.866 1359 G HN 0.835 nan 8.290 nan 0.000 0.534 1360 S N -0.965 114.704 115.700 -0.050 0.000 2.489 1360 S HA 0.354 4.822 4.470 -0.004 0.000 0.228 1360 S C 2.470 177.205 174.600 0.224 0.000 0.995 1360 S CA 1.547 59.774 58.200 0.045 0.000 0.934 1360 S CB 0.049 63.330 63.200 0.135 0.000 0.771 1360 S HN 2.904 nan 8.310 nan 0.000 0.522 1361 G N 0.073 108.979 108.800 0.175 0.000 2.162 1361 G HA2 -0.236 3.722 3.960 -0.004 0.000 0.260 1361 G HA3 -0.236 3.722 3.960 -0.004 0.000 0.260 1361 G C -0.124 174.863 174.900 0.146 0.000 0.976 1361 G CA 0.386 45.622 45.100 0.226 0.000 0.655 1361 G HN 0.504 nan 8.290 nan 0.000 0.533 1362 F N -0.022 120.017 119.950 0.148 0.000 2.556 1362 F HA 0.773 5.297 4.527 -0.004 0.000 0.327 1362 F C 0.411 176.267 175.800 0.093 0.000 1.059 1362 F CA -0.898 57.175 58.000 0.121 0.000 0.953 1362 F CB 2.053 41.123 39.000 0.117 0.000 1.227 1362 F HN 0.014 nan 8.300 nan 0.000 0.478 1363 K N 1.595 122.155 120.400 0.266 0.000 2.422 1363 K HA 0.280 4.597 4.320 -0.004 0.000 0.251 1363 K C -1.266 175.429 176.600 0.157 0.000 0.933 1363 K CA -0.782 55.612 56.287 0.178 0.000 0.798 1363 K CB 1.529 34.110 32.500 0.134 0.000 1.238 1363 K HN 0.626 nan 8.250 nan 0.000 0.428 1364 N N 5.124 123.885 118.700 0.102 0.000 2.430 1364 N HA 0.173 4.911 4.740 -0.004 0.000 0.265 1364 N C -1.004 174.559 175.510 0.089 0.000 1.100 1364 N CA -0.071 53.012 53.050 0.055 0.000 0.961 1364 N CB 0.513 39.017 38.487 0.029 0.000 1.075 1364 N HN 0.475 nan 8.380 nan 0.000 0.478 1365 I N 2.931 123.585 120.570 0.139 0.000 2.410 1365 I HA 0.141 4.309 4.170 -0.004 0.000 0.286 1365 I C -0.097 176.095 176.117 0.125 0.000 1.009 1365 I CA -0.403 60.991 61.300 0.158 0.000 1.111 1365 I CB 1.188 39.321 38.000 0.222 0.000 1.262 1365 I HN 0.474 nan 8.210 nan 0.000 0.443 1366 D N 5.444 125.880 120.400 0.060 0.000 2.701 1366 D HA -0.193 4.445 4.640 -0.004 0.000 0.235 1366 D C 1.244 177.555 176.300 0.018 0.000 1.155 1366 D CA 1.758 55.779 54.000 0.036 0.000 0.649 1366 D CB -0.881 39.941 40.800 0.037 0.000 1.050 1366 D HN 1.144 nan 8.370 nan 0.000 0.425 1367 G N -0.768 108.030 108.800 -0.002 0.000 2.141 1367 G HA2 -0.341 3.616 3.960 -0.004 0.000 0.231 1367 G HA3 -0.341 3.616 3.960 -0.004 0.000 0.231 1367 G C 0.240 175.089 174.900 -0.085 0.000 0.984 1367 G CA 0.477 45.560 45.100 -0.029 0.000 0.660 1367 G HN 0.645 nan 8.290 nan 0.000 0.525 1368 K N 0.497 120.798 120.400 -0.165 0.000 2.378 1368 K HA 0.522 4.840 4.320 -0.004 0.000 0.252 1368 K C -0.591 175.654 176.600 -0.591 0.000 0.931 1368 K CA -0.867 55.180 56.287 -0.400 0.000 0.794 1368 K CB 1.151 33.335 32.500 -0.525 0.000 1.181 1368 K HN 0.015 nan 8.250 nan 0.000 0.425 1369 E N 2.963 122.836 120.200 -0.544 0.000 2.229 1369 E HA 0.156 4.503 4.350 -0.004 0.000 0.283 1369 E C -1.100 175.244 176.600 -0.427 0.000 1.030 1369 E CA -0.136 56.051 56.400 -0.355 0.000 0.836 1369 E CB 0.764 30.320 29.700 -0.241 0.000 1.068 1369 E HN 0.379 nan 8.360 nan 0.000 0.401 1370 Y N 0.745 121.149 120.300 0.174 0.000 2.446 1370 Y HA 0.237 4.785 4.550 -0.004 0.000 0.345 1370 Y C 0.188 176.068 175.900 -0.034 0.000 0.984 1370 Y CA -1.140 57.019 58.100 0.098 0.000 1.058 1370 Y CB 1.255 39.707 38.460 -0.012 0.000 1.220 1370 Y HN 0.379 nan 8.280 nan 0.000 0.455 1371 L N 3.013 124.111 121.223 -0.209 0.000 2.499 1371 L HA 0.234 4.571 4.340 -0.004 0.000 0.273 1371 L C -0.515 176.195 176.870 -0.266 0.000 1.195 1371 L CA 0.119 54.547 54.840 -0.687 0.000 0.882 1371 L CB -0.124 41.568 42.059 -0.612 0.000 1.133 1371 L HN 0.775 nan 8.230 nan 0.000 0.483 1372 C N 5.491 124.652 119.300 -0.232 0.000 2.466 1372 C HA 0.562 5.020 4.460 -0.004 0.000 0.379 1372 C C 0.265 175.095 174.990 -0.267 0.000 1.251 1372 C CA -0.811 58.081 59.018 -0.209 0.000 2.263 1372 C CB 0.226 27.873 27.740 -0.156 0.000 2.511 1372 C HN 0.709 nan 8.230 nan 0.000 0.573 1373 L N 1.627 122.623 121.223 -0.378 0.000 2.354 1373 L HA 0.613 4.951 4.340 -0.004 0.000 0.264 1373 L C -1.248 175.286 176.870 -0.560 0.000 1.008 1373 L CA -0.640 54.004 54.840 -0.327 0.000 0.819 1373 L CB 1.347 43.277 42.059 -0.215 0.000 1.339 1373 L HN 0.595 nan 8.230 nan 0.000 0.420 1374 Y N -0.477 119.856 120.300 0.055 0.000 2.442 1374 Y HA 0.340 4.888 4.550 -0.003 0.000 0.344 1374 Y C -0.210 175.715 175.900 0.042 0.000 0.976 1374 Y CA -1.176 56.992 58.100 0.114 0.000 1.040 1374 Y CB 1.737 40.232 38.460 0.058 0.000 1.228 1374 Y HN 0.615 nan 8.280 nan 0.000 0.451 1375 D N -0.811 119.736 120.400 0.245 0.000 2.506 1375 D HA 0.146 4.784 4.640 -0.004 0.000 0.272 1375 D C 1.077 177.454 176.300 0.128 0.000 1.214 1375 D CA -0.301 53.762 54.000 0.104 0.000 1.067 1375 D CB 0.634 41.502 40.800 0.113 0.000 1.117 1375 D HN 0.421 nan 8.370 nan 0.000 0.578 1376 S N -1.062 114.682 115.700 0.073 0.000 2.423 1376 S HA -0.172 4.296 4.470 -0.004 0.000 0.231 1376 S C 1.701 176.344 174.600 0.073 0.000 1.014 1376 S CA 1.006 59.244 58.200 0.063 0.000 0.965 1376 S CB -0.926 62.297 63.200 0.038 0.000 0.785 1376 S HN 0.580 nan 8.310 nan 0.000 0.495 1377 S N 0.312 116.064 115.700 0.088 0.000 2.603 1377 S HA 0.434 4.902 4.470 -0.004 0.000 0.220 1377 S C 1.580 176.238 174.600 0.097 0.000 0.967 1377 S CA 0.461 58.709 58.200 0.080 0.000 0.920 1377 S CB -0.580 62.666 63.200 0.075 0.000 0.773 1377 S HN 1.484 nan 8.310 nan 0.000 0.529 1378 G N 1.063 109.948 108.800 0.143 0.000 2.157 1378 G HA2 -0.250 3.708 3.960 -0.004 0.000 0.248 1378 G HA3 -0.250 3.708 3.960 -0.004 0.000 0.248 1378 G C -0.083 174.971 174.900 0.256 0.000 0.979 1378 G CA 0.010 45.220 45.100 0.183 0.000 0.650 1378 G HN 0.587 nan 8.290 nan 0.000 0.529 1379 K N 0.729 121.257 120.400 0.213 0.000 2.448 1379 K HA 0.323 4.641 4.320 -0.004 0.000 0.278 1379 K C 0.316 176.992 176.600 0.125 0.000 1.009 1379 K CA 0.111 56.470 56.287 0.120 0.000 0.995 1379 K CB 0.882 33.427 32.500 0.074 0.000 0.917 1379 K HN 0.438 nan 8.250 nan 0.000 0.481 1380 E N 2.758 122.905 120.200 -0.089 0.000 2.175 1380 E HA 0.274 4.622 4.350 -0.004 0.000 0.278 1380 E C -1.203 175.134 176.600 -0.439 0.000 0.969 1380 E CA -0.570 55.691 56.400 -0.232 0.000 0.796 1380 E CB 0.623 30.260 29.700 -0.104 0.000 1.104 1380 E HN 0.234 nan 8.360 nan 0.000 0.395 1381 F N 0.843 120.607 119.950 -0.311 0.000 2.598 1381 F HA 0.444 4.968 4.527 -0.004 0.000 0.327 1381 F C 0.353 176.036 175.800 -0.194 0.000 1.057 1381 F CA -0.660 57.229 58.000 -0.184 0.000 0.957 1381 F CB 2.103 41.006 39.000 -0.162 0.000 1.278 1381 F HN 0.331 nan 8.300 nan 0.000 0.484 1382 T N -1.502 113.100 114.554 0.081 0.000 2.908 1382 T HA 0.743 5.091 4.350 -0.004 0.000 0.290 1382 T C -1.189 173.528 174.700 0.029 0.000 1.034 1382 T CA -0.852 61.249 62.100 0.002 0.000 1.010 1382 T CB 1.524 70.354 68.868 -0.063 0.000 1.068 1382 T HN 0.342 nan 8.240 nan 0.000 0.481 1383 V N 2.899 122.813 119.914 -0.000 0.000 2.350 1383 V HA 0.482 4.600 4.120 -0.004 0.000 0.276 1383 V C 0.167 176.259 176.094 -0.004 0.000 1.028 1383 V CA -0.755 61.563 62.300 0.031 0.000 0.860 1383 V CB 0.511 32.347 31.823 0.021 0.000 0.990 1383 V HN 0.800 nan 8.190 nan 0.000 0.453 1384 R N 4.298 124.765 120.500 -0.055 0.000 2.388 1384 R HA 0.448 4.786 4.340 -0.004 0.000 0.314 1384 R C -0.483 175.843 176.300 0.043 0.000 0.959 1384 R CA -0.646 55.312 56.100 -0.236 0.000 0.851 1384 R CB 1.266 31.086 30.300 -0.799 0.000 1.168 1384 R HN 0.659 nan 8.270 nan 0.000 0.472 1385 E N 2.045 122.321 120.200 0.127 0.000 2.269 1385 E HA -0.292 4.055 4.350 -0.004 0.000 0.223 1385 E C -0.526 176.130 176.600 0.093 0.000 1.244 1385 E CA 1.085 57.550 56.400 0.108 0.000 0.713 1385 E CB -1.830 27.924 29.700 0.092 0.000 1.178 1385 E HN 0.988 nan 8.360 nan 0.000 0.370 1386 N N -3.089 115.669 118.700 0.097 0.000 2.909 1386 N HA -0.205 4.532 4.740 -0.004 0.000 0.242 1386 N C -0.573 174.990 175.510 0.087 0.000 0.975 1386 N CA 1.109 54.211 53.050 0.085 0.000 0.921 1386 N CB -0.598 37.928 38.487 0.065 0.000 1.112 1386 N HN 0.224 nan 8.380 nan 0.000 0.581 1387 V N 1.041 121.023 119.914 0.115 0.000 2.417 1387 V HA 0.457 4.575 4.120 -0.004 0.000 0.291 1387 V C 0.427 176.608 176.094 0.146 0.000 1.024 1387 V CA -0.833 61.528 62.300 0.102 0.000 0.861 1387 V CB 1.926 33.818 31.823 0.115 0.000 0.985 1387 V HN -0.050 nan 8.190 nan 0.000 0.436 1388 V N 5.715 125.669 119.914 0.067 0.000 2.461 1388 V HA 0.358 4.476 4.120 -0.004 0.000 0.275 1388 V C -0.669 175.453 176.094 0.045 0.000 1.047 1388 V CA -0.381 61.985 62.300 0.111 0.000 0.955 1388 V CB 0.670 32.541 31.823 0.079 0.000 0.988 1388 V HN 0.693 nan 8.190 nan 0.000 0.471 1389 Y N 2.848 123.189 120.300 0.070 0.000 2.409 1389 Y HA 0.472 5.019 4.550 -0.004 0.000 0.339 1389 Y C 0.455 176.425 175.900 0.117 0.000 1.033 1389 Y CA -1.383 56.750 58.100 0.055 0.000 1.094 1389 Y CB 1.338 39.761 38.460 -0.063 0.000 1.210 1389 Y HN 0.819 nan 8.280 nan 0.000 0.456 1390 D N 0.587 121.091 120.400 0.173 0.000 2.447 1390 D HA 0.092 4.729 4.640 -0.004 0.000 0.265 1390 D C 0.749 176.941 176.300 -0.180 0.000 1.250 1390 D CA -0.581 53.329 54.000 -0.150 0.000 1.046 1390 D CB 0.595 41.308 40.800 -0.144 0.000 1.095 1390 D HN 0.613 nan 8.370 nan 0.000 0.555 1391 K N -1.073 119.131 120.400 -0.326 0.000 2.362 1391 K HA -0.101 4.217 4.320 -0.004 0.000 0.200 1391 K C 0.072 176.615 176.600 -0.095 0.000 1.046 1391 K CA 1.048 57.215 56.287 -0.200 0.000 0.952 1391 K CB -0.159 32.212 32.500 -0.216 0.000 0.753 1391 K HN 0.232 nan 8.250 nan 0.000 0.466 1392 D N 0.983 121.341 120.400 -0.070 0.000 2.325 1392 D HA 0.057 4.695 4.640 -0.004 0.000 0.225 1392 D C -0.396 175.913 176.300 0.016 0.000 1.096 1392 D CA 0.171 54.156 54.000 -0.024 0.000 0.844 1392 D CB 0.539 41.327 40.800 -0.021 0.000 0.925 1392 D HN 0.131 nan 8.370 nan 0.000 0.513 1393 S N 0.699 116.426 115.700 0.044 0.000 3.635 1393 S HA -0.162 4.306 4.470 -0.004 0.000 0.328 1393 S C 0.128 174.869 174.600 0.234 0.000 1.135 1393 S CA 0.100 58.385 58.200 0.141 0.000 0.942 1393 S CB -1.473 61.750 63.200 0.038 0.000 0.930 1393 S HN 0.383 nan 8.310 nan 0.000 0.512 1394 N N 1.945 120.724 118.700 0.132 0.000 2.499 1394 N HA 0.197 4.934 4.740 -0.004 0.000 0.281 1394 N C 0.079 175.547 175.510 -0.070 0.000 1.098 1394 N CA -0.223 52.860 53.050 0.055 0.000 0.979 1394 N CB 0.699 39.197 38.487 0.018 0.000 1.121 1394 N HN 0.403 nan 8.380 nan 0.000 0.466 1395 K N 0.931 121.179 120.400 -0.254 0.000 2.412 1395 K HA 0.039 4.357 4.320 -0.004 0.000 0.281 1395 K C 0.676 177.127 176.600 -0.249 0.000 1.027 1395 K CA -0.061 55.889 56.287 -0.562 0.000 0.989 1395 K CB 0.457 32.688 32.500 -0.450 0.000 0.935 1395 K HN 0.642 nan 8.250 nan 0.000 0.475 1396 T N -0.183 114.256 114.554 -0.191 0.000 2.867 1396 T HA 0.102 4.450 4.350 -0.004 0.000 0.286 1396 T C 1.019 175.656 174.700 -0.105 0.000 1.022 1396 T CA -0.435 61.647 62.100 -0.031 0.000 0.933 1396 T CB 0.886 69.857 68.868 0.171 0.000 1.280 1396 T HN 0.700 nan 8.240 nan 0.000 0.566 1397 E N -0.952 119.144 120.200 -0.174 0.000 2.489 1397 E HA 0.065 4.412 4.350 -0.004 0.000 0.193 1397 E C -0.769 175.592 176.600 -0.399 0.000 1.057 1397 E CA -0.200 56.005 56.400 -0.325 0.000 0.866 1397 E CB -0.264 29.173 29.700 -0.439 0.000 0.916 1397 E HN 0.638 nan 8.360 nan 0.000 0.500 1398 Y N 1.457 121.719 120.300 -0.064 0.000 2.387 1398 Y HA 0.375 4.923 4.550 -0.004 0.000 0.330 1398 Y C 0.653 176.544 175.900 -0.014 0.000 1.133 1398 Y CA -0.463 57.614 58.100 -0.038 0.000 1.152 1398 Y CB 1.955 40.360 38.460 -0.093 0.000 1.215 1398 Y HN -0.032 nan 8.280 nan 0.000 0.466 1399 T N -2.103 112.588 114.554 0.228 0.000 2.865 1399 T HA 0.808 5.156 4.350 -0.004 0.000 0.294 1399 T C -0.362 174.516 174.700 0.296 0.000 1.119 1399 T CA -0.868 61.340 62.100 0.180 0.000 1.007 1399 T CB 1.762 70.677 68.868 0.077 0.000 1.225 1399 T HN 0.669 nan 8.240 nan 0.000 0.515 1400 T N -1.020 113.675 114.554 0.234 0.000 2.864 1400 T HA 0.787 5.135 4.350 -0.004 0.000 0.289 1400 T C -0.837 174.031 174.700 0.280 0.000 1.082 1400 T CA -0.875 61.392 62.100 0.280 0.000 1.009 1400 T CB 1.607 70.554 68.868 0.132 0.000 1.234 1400 T HN 1.031 nan 8.240 nan 0.000 0.526 1401 N N -0.757 118.123 118.700 0.300 0.000 2.701 1401 N HA 0.610 5.348 4.740 -0.004 0.000 0.290 1401 N C 1.085 176.676 175.510 0.134 0.000 1.338 1401 N CA -0.550 52.619 53.050 0.199 0.000 0.799 1401 N CB 0.664 39.297 38.487 0.244 0.000 1.491 1401 N HN 0.797 nan 8.380 nan 0.000 0.540 1402 A N -0.467 122.413 122.820 0.099 0.000 2.070 1402 A HA 0.051 4.369 4.320 -0.004 0.000 0.220 1402 A C 1.626 179.254 177.584 0.074 0.000 1.159 1402 A CA 0.872 52.959 52.037 0.083 0.000 0.656 1402 A CB -0.959 18.080 19.000 0.066 0.000 0.800 1402 A HN 0.592 nan 8.150 nan 0.000 0.453 1403 L N -1.627 119.627 121.223 0.052 0.000 2.591 1403 L HA 0.196 4.534 4.340 -0.004 0.000 0.228 1403 L C 1.701 178.643 176.870 0.120 0.000 1.133 1403 L CA 0.543 55.383 54.840 -0.001 0.000 0.880 1403 L CB -0.215 41.796 42.059 -0.080 0.000 1.033 1403 L HN 0.557 nan 8.230 nan 0.000 0.450 1404 G N -0.473 108.401 108.800 0.125 0.000 2.175 1404 G HA2 -0.221 3.736 3.960 -0.004 0.000 0.244 1404 G HA3 -0.221 3.736 3.960 -0.004 0.000 0.244 1404 G C -0.064 174.862 174.900 0.043 0.000 0.982 1404 G CA -0.208 44.957 45.100 0.109 0.000 0.641 1404 G HN 0.321 nan 8.290 nan 0.000 0.527 1405 D N -0.032 120.378 120.400 0.017 0.000 2.423 1405 D HA 0.397 5.035 4.640 -0.004 0.000 0.238 1405 D C 0.334 176.508 176.300 -0.210 0.000 1.142 1405 D CA 0.198 54.095 54.000 -0.171 0.000 0.884 1405 D CB 1.615 42.236 40.800 -0.299 0.000 1.199 1405 D HN 0.283 nan 8.370 nan 0.000 0.438 1406 L N 2.848 123.863 121.223 -0.346 0.000 2.325 1406 L HA 0.443 4.780 4.340 -0.004 0.000 0.281 1406 L C -1.489 175.208 176.870 -0.288 0.000 1.004 1406 L CA -0.459 54.279 54.840 -0.170 0.000 0.823 1406 L CB 0.677 42.671 42.059 -0.108 0.000 1.236 1406 L HN 0.157 nan 8.230 nan 0.000 0.415 1407 F N 4.063 124.066 119.950 0.089 0.000 2.482 1407 F HA 0.515 5.039 4.527 -0.004 0.000 0.331 1407 F C 0.100 175.932 175.800 0.053 0.000 1.115 1407 F CA -0.648 57.386 58.000 0.056 0.000 0.955 1407 F CB 1.688 40.698 39.000 0.018 0.000 1.136 1407 F HN 0.338 nan 8.300 nan 0.000 0.452 1408 K N 3.177 123.653 120.400 0.126 0.000 2.293 1408 K HA 0.268 4.586 4.320 -0.004 0.000 0.267 1408 K C -0.159 176.390 176.600 -0.086 0.000 1.010 1408 K CA -0.388 55.815 56.287 -0.139 0.000 0.875 1408 K CB 0.430 32.813 32.500 -0.195 0.000 1.106 1408 K HN 0.722 nan 8.250 nan 0.000 0.450 1409 N N 3.231 121.852 118.700 -0.132 0.000 2.721 1409 N HA -0.217 4.521 4.740 -0.004 0.000 0.249 1409 N C 0.474 175.969 175.510 -0.025 0.000 1.072 1409 N CA 1.490 54.490 53.050 -0.084 0.000 0.710 1409 N CB -1.294 37.138 38.487 -0.092 0.000 0.993 1409 N HN 1.097 nan 8.380 nan 0.000 0.547 1410 G N -2.520 106.291 108.800 0.019 0.000 2.159 1410 G HA2 -0.301 3.656 3.960 -0.004 0.000 0.256 1410 G HA3 -0.301 3.656 3.960 -0.004 0.000 0.256 1410 G C 0.093 175.080 174.900 0.144 0.000 0.977 1410 G CA 0.705 45.816 45.100 0.017 0.000 0.652 1410 G HN 0.528 nan 8.290 nan 0.000 0.531 1411 T N 0.631 115.304 114.554 0.198 0.000 2.792 1411 T HA 0.494 4.842 4.350 -0.004 0.000 0.280 1411 T C 0.145 174.965 174.700 0.200 0.000 0.990 1411 T CA -0.467 61.754 62.100 0.201 0.000 0.960 1411 T CB 1.865 70.781 68.868 0.080 0.000 0.939 1411 T HN 0.447 nan 8.240 nan 0.000 0.439 1412 K N 3.290 123.766 120.400 0.126 0.000 2.451 1412 K HA 0.181 4.498 4.320 -0.004 0.000 0.280 1412 K C 0.987 177.499 176.600 -0.147 0.000 1.020 1412 K CA 0.049 56.160 56.287 -0.293 0.000 1.008 1412 K CB 0.176 32.456 32.500 -0.367 0.000 0.917 1412 K HN 0.714 nan 8.250 nan 0.000 0.478 1413 I N -0.459 120.018 120.570 -0.156 0.000 4.312 1413 I HA 0.364 4.532 4.170 -0.004 0.000 0.324 1413 I C 0.224 176.292 176.117 -0.082 0.000 1.298 1413 I CA -0.234 61.025 61.300 -0.069 0.000 1.231 1413 I CB 0.493 38.497 38.000 0.007 0.000 1.152 1413 I HN 0.504 nan 8.210 nan 0.000 0.421 1414 D N 0.166 120.487 120.400 -0.132 0.000 3.235 1414 D HA 0.226 4.864 4.640 -0.004 0.000 0.360 1414 D C -1.822 174.399 176.300 -0.131 0.000 1.465 1414 D CA -0.495 53.444 54.000 -0.102 0.000 0.874 1414 D CB 1.050 41.810 40.800 -0.068 0.000 1.465 1414 D HN 0.089 nan 8.370 nan 0.000 0.533 1415 N N 0.811 119.465 118.700 -0.076 0.000 2.369 1415 N HA 0.214 4.952 4.740 -0.004 0.000 0.287 1415 N C 0.912 176.410 175.510 -0.020 0.000 1.067 1415 N CA -0.337 52.685 53.050 -0.047 0.000 0.888 1415 N CB 1.669 40.158 38.487 0.003 0.000 1.616 1415 N HN 0.534 nan 8.380 nan 0.000 0.482 1416 I N 0.222 120.778 120.570 -0.023 0.000 3.010 1416 I HA -0.019 4.149 4.170 -0.004 0.000 0.271 1416 I C 0.288 176.402 176.117 -0.004 0.000 1.293 1416 I CA 0.866 62.145 61.300 -0.036 0.000 1.452 1416 I CB -0.105 37.859 38.000 -0.061 0.000 1.082 1416 I HN 0.251 nan 8.210 nan 0.000 0.484 1417 N N 1.556 120.281 118.700 0.042 0.000 2.280 1417 N HA 0.050 4.788 4.740 -0.004 0.000 0.192 1417 N C 0.891 176.452 175.510 0.085 0.000 1.109 1417 N CA 0.520 53.606 53.050 0.060 0.000 0.855 1417 N CB 0.396 38.952 38.487 0.116 0.000 0.974 1417 N HN 0.573 nan 8.380 nan 0.000 0.482 1418 S N 0.114 115.854 115.700 0.066 0.000 2.686 1418 S HA 0.190 4.658 4.470 -0.004 0.000 0.270 1418 S C 1.417 176.051 174.600 0.056 0.000 1.194 1418 S CA -0.299 57.939 58.200 0.063 0.000 0.990 1418 S CB 1.389 64.612 63.200 0.038 0.000 1.029 1418 S HN 0.161 nan 8.310 nan 0.000 0.560 1419 S N -0.836 114.892 115.700 0.046 0.000 2.562 1419 S HA 0.015 4.482 4.470 -0.004 0.000 0.221 1419 S C 1.310 175.923 174.600 0.023 0.000 0.975 1419 S CA 0.625 58.849 58.200 0.040 0.000 0.918 1419 S CB -0.959 62.256 63.200 0.025 0.000 0.772 1419 S HN 0.999 nan 8.310 nan 0.000 0.531 1420 T N -1.668 112.894 114.554 0.012 0.000 3.010 1420 T HA 0.598 4.946 4.350 -0.004 0.000 0.257 1420 T C 0.659 175.349 174.700 -0.015 0.000 1.020 1420 T CA 0.184 62.283 62.100 -0.001 0.000 0.938 1420 T CB -0.024 68.842 68.868 -0.004 0.000 1.049 1420 T HN 0.487 nan 8.240 nan 0.000 0.522 1421 A N 3.456 126.262 122.820 -0.022 0.000 2.445 1421 A HA 0.492 4.809 4.320 -0.004 0.000 0.242 1421 A C -0.753 176.784 177.584 -0.079 0.000 1.075 1421 A CA -1.265 50.738 52.037 -0.057 0.000 0.777 1421 A CB 0.339 19.299 19.000 -0.068 0.000 1.013 1421 A HN 0.230 nan 8.150 nan 0.000 0.493 1422 P HA 0.030 nan 4.420 nan 0.000 0.229 1422 P C -0.166 176.983 177.300 -0.252 0.000 1.160 1422 P CA 1.029 64.032 63.100 -0.160 0.000 0.777 1422 P CB 0.089 31.688 31.700 -0.168 0.000 0.814 1423 L N -0.376 120.661 121.223 -0.310 0.000 2.381 1423 L HA 0.444 4.781 4.340 -0.004 0.000 0.274 1423 L C 0.088 176.854 176.870 -0.174 0.000 0.988 1423 L CA -0.673 53.970 54.840 -0.329 0.000 0.824 1423 L CB 2.618 44.335 42.059 -0.570 0.000 1.263 1423 L HN -0.294 nan 8.230 nan 0.000 0.410 1424 K N 1.905 122.264 120.400 -0.068 0.000 2.375 1424 K HA 0.749 5.067 4.320 -0.004 0.000 0.249 1424 K C -0.511 176.121 176.600 0.054 0.000 0.942 1424 K CA -0.757 55.530 56.287 -0.001 0.000 0.806 1424 K CB 2.586 35.114 32.500 0.047 0.000 1.227 1424 K HN 0.623 nan 8.250 nan 0.000 0.430 1425 A N 1.970 124.796 122.820 0.010 0.000 2.448 1425 A HA 0.043 4.360 4.320 -0.004 0.000 0.239 1425 A C 0.016 177.681 177.584 0.134 0.000 1.080 1425 A CA 0.082 52.139 52.037 0.033 0.000 0.779 1425 A CB 0.106 19.035 19.000 -0.120 0.000 1.026 1425 A HN 0.765 nan 8.150 nan 0.000 0.499 1426 K N 0.781 121.312 120.400 0.219 0.000 2.448 1426 K HA 0.214 4.532 4.320 -0.004 0.000 0.278 1426 K C 0.650 177.163 176.600 -0.145 0.000 1.009 1426 K CA 0.598 56.907 56.287 0.036 0.000 0.995 1426 K CB 0.252 32.791 32.500 0.065 0.000 0.917 1426 K HN 0.737 nan 8.250 nan 0.000 0.481 1427 G N 2.787 111.276 108.800 -0.518 0.000 2.605 1427 G HA2 0.189 4.147 3.960 -0.004 0.000 0.301 1427 G HA3 0.189 4.147 3.960 -0.004 0.000 0.301 1427 G C -0.369 174.038 174.900 -0.821 0.000 0.881 1427 G CA 0.019 44.350 45.100 -1.280 0.000 1.553 1427 G HN 0.594 nan 8.290 nan 0.000 0.483 1428 T N 0.043 114.366 114.554 -0.384 0.000 2.693 1428 T HA 0.549 4.897 4.350 -0.004 0.000 0.304 1428 T C 0.161 174.669 174.700 -0.319 0.000 1.471 1428 T CA -0.012 61.934 62.100 -0.257 0.000 0.993 1428 T CB 0.880 69.523 68.868 -0.375 0.000 1.554 1428 T HN 0.771 nan 8.240 nan 0.000 0.496 1429 S N 0.902 116.361 115.700 -0.401 0.000 2.580 1429 S HA 0.651 5.118 4.470 -0.004 0.000 0.274 1429 S C -1.269 172.760 174.600 -0.951 0.000 1.329 1429 S CA -0.277 57.438 58.200 -0.808 0.000 1.036 1429 S CB 0.116 62.893 63.200 -0.704 0.000 0.919 1429 S HN 0.568 nan 8.310 nan 0.000 0.515 1430 Y N 0.483 120.515 120.300 -0.447 0.000 2.477 1430 Y HA 0.485 5.032 4.550 -0.004 0.000 0.347 1430 Y C -0.043 175.718 175.900 -0.231 0.000 0.981 1430 Y CA -1.371 56.591 58.100 -0.229 0.000 1.033 1430 Y CB 1.262 39.676 38.460 -0.078 0.000 1.245 1430 Y HN 0.509 nan 8.280 nan 0.000 0.455 1431 I N 3.545 124.069 120.570 -0.076 0.000 2.352 1431 I HA 0.171 4.338 4.170 -0.004 0.000 0.290 1431 I C -0.461 175.630 176.117 -0.043 0.000 1.036 1431 I CA -0.485 60.739 61.300 -0.128 0.000 1.336 1431 I CB 0.290 38.148 38.000 -0.236 0.000 1.407 1431 I HN 0.623 nan 8.210 nan 0.000 0.497 1432 N N 6.417 125.101 118.700 -0.027 0.000 2.417 1432 N HA 0.602 5.340 4.740 -0.004 0.000 0.300 1432 N C -0.879 174.610 175.510 -0.036 0.000 1.102 1432 N CA -0.481 52.574 53.050 0.008 0.000 0.886 1432 N CB 2.605 41.118 38.487 0.043 0.000 1.203 1432 N HN 0.545 nan 8.380 nan 0.000 0.496 1433 L N 1.518 122.747 121.223 0.010 0.000 2.410 1433 L HA 0.709 5.047 4.340 -0.004 0.000 0.270 1433 L C -0.927 176.040 176.870 0.163 0.000 0.983 1433 L CA -0.790 54.087 54.840 0.062 0.000 0.822 1433 L CB 1.343 43.422 42.059 0.033 0.000 1.285 1433 L HN 0.379 nan 8.230 nan 0.000 0.409 1434 V N 1.538 121.569 119.914 0.196 0.000 3.046 1434 V HA 0.740 4.858 4.120 -0.004 0.000 0.316 1434 V C -1.267 175.067 176.094 0.399 0.000 1.104 1434 V CA -0.586 61.833 62.300 0.198 0.000 1.006 1434 V CB 1.690 33.580 31.823 0.112 0.000 1.058 1434 V HN 0.837 nan 8.190 nan 0.000 0.440 1435 Y N -0.457 120.043 120.300 0.333 0.000 2.615 1435 Y HA 0.883 5.431 4.550 -0.004 0.000 0.341 1435 Y C -0.480 175.363 175.900 -0.096 0.000 1.089 1435 Y CA -0.992 57.169 58.100 0.102 0.000 1.049 1435 Y CB 1.510 39.870 38.460 -0.165 0.000 1.296 1435 Y HN 0.880 nan 8.280 nan 0.000 0.470 1436 S N 0.347 115.893 115.700 -0.257 0.000 2.557 1436 S HA 0.429 4.896 4.470 -0.004 0.000 0.291 1436 S C -1.119 173.313 174.600 -0.281 0.000 1.116 1436 S CA -0.612 57.248 58.200 -0.568 0.000 0.992 1436 S CB 1.036 63.410 63.200 -1.377 0.000 1.028 1436 S HN 0.751 nan 8.310 nan 0.000 0.484 1437 D N 2.287 122.584 120.400 -0.172 0.000 2.431 1437 D HA 0.170 4.808 4.640 -0.004 0.000 0.213 1437 D C -0.197 176.029 176.300 -0.123 0.000 1.130 1437 D CA 0.212 54.146 54.000 -0.109 0.000 0.834 1437 D CB 0.564 41.347 40.800 -0.027 0.000 0.985 1437 D HN 0.728 nan 8.370 nan 0.000 0.504 1438 D N -0.452 119.839 120.400 -0.181 0.000 2.819 1438 D HA 0.100 4.737 4.640 -0.004 0.000 0.326 1438 D C -0.044 176.166 176.300 -0.150 0.000 1.408 1438 D CA -0.536 53.381 54.000 -0.139 0.000 0.811 1438 D CB 0.105 40.834 40.800 -0.118 0.000 1.148 1438 D HN -0.241 nan 8.370 nan 0.000 0.457 1439 D N -0.044 120.261 120.400 -0.158 0.000 2.907 1439 D HA -0.122 4.516 4.640 -0.004 0.000 0.226 1439 D C 1.270 177.502 176.300 -0.114 0.000 1.141 1439 D CA 1.888 55.828 54.000 -0.100 0.000 0.779 1439 D CB -1.284 39.489 40.800 -0.045 0.000 1.095 1439 D HN 0.780 nan 8.370 nan 0.000 0.430 1440 G N -0.807 107.806 108.800 -0.311 0.000 2.175 1440 G HA2 -0.401 3.557 3.960 -0.004 0.000 0.244 1440 G HA3 -0.401 3.557 3.960 -0.004 0.000 0.244 1440 G C 1.146 175.942 174.900 -0.173 0.000 0.982 1440 G CA 0.785 45.697 45.100 -0.314 0.000 0.641 1440 G HN 0.549 nan 8.290 nan 0.000 0.527 1441 K N 0.074 120.361 120.400 -0.188 0.000 2.062 1441 K HA 0.124 4.442 4.320 -0.004 0.000 0.205 1441 K C 1.461 178.019 176.600 -0.071 0.000 1.051 1441 K CA 1.581 57.834 56.287 -0.057 0.000 0.941 1441 K CB -0.058 32.412 32.500 -0.050 0.000 0.719 1441 K HN 0.674 nan 8.250 nan 0.000 0.440 1442 T N -2.338 112.053 114.554 -0.272 0.000 2.906 1442 T HA 0.525 4.873 4.350 -0.004 0.000 0.295 1442 T C -1.412 173.000 174.700 -0.480 0.000 1.075 1442 T CA -0.995 60.994 62.100 -0.185 0.000 1.005 1442 T CB 1.333 70.147 68.868 -0.091 0.000 1.136 1442 T HN 0.132 nan 8.240 nan 0.000 0.498 1443 W N 0.863 122.119 121.300 -0.073 0.000 2.950 1443 W HA 0.625 5.283 4.660 -0.004 0.000 0.340 1443 W C 0.504 176.895 176.519 -0.214 0.000 1.139 1443 W CA -0.759 56.504 57.345 -0.137 0.000 1.188 1443 W CB 1.950 31.352 29.460 -0.097 0.000 1.426 1443 W HN 1.015 nan 8.180 nan 0.000 0.531 1444 S N 0.057 115.648 115.700 -0.182 0.000 2.617 1444 S HA 0.343 4.810 4.470 -0.004 0.000 0.259 1444 S C 0.011 174.541 174.600 -0.117 0.000 1.301 1444 S CA -0.691 57.322 58.200 -0.312 0.000 0.984 1444 S CB 0.739 63.412 63.200 -0.879 0.000 0.954 1444 S HN 0.525 nan 8.310 nan 0.000 0.572 1445 E N 1.607 121.755 120.200 -0.088 0.000 2.374 1445 E HA 0.278 4.626 4.350 -0.004 0.000 0.260 1445 E C -2.289 174.303 176.600 -0.013 0.000 1.101 1445 E CA -2.053 54.322 56.400 -0.042 0.000 0.907 1445 E CB 0.072 29.762 29.700 -0.017 0.000 1.014 1445 E HN 0.495 nan 8.360 nan 0.000 0.427 1446 P HA -0.042 nan 4.420 nan 0.000 0.268 1446 P C -1.065 176.294 177.300 0.098 0.000 1.204 1446 P CA 0.405 63.534 63.100 0.049 0.000 0.768 1446 P CB 0.471 32.204 31.700 0.055 0.000 0.842 1447 Q N 2.040 121.919 119.800 0.132 0.000 2.314 1447 Q HA 0.238 4.575 4.340 -0.004 0.000 0.259 1447 Q C 0.050 176.148 176.000 0.163 0.000 0.951 1447 Q CA -0.574 55.336 55.803 0.177 0.000 0.909 1447 Q CB 1.035 29.907 28.738 0.224 0.000 1.236 1447 Q HN 0.309 nan 8.270 nan 0.000 0.444 1448 N N 3.650 122.484 118.700 0.223 0.000 2.415 1448 N HA 0.105 4.842 4.740 -0.004 0.000 0.246 1448 N C 0.024 175.701 175.510 0.278 0.000 1.078 1448 N CA -0.159 53.050 53.050 0.265 0.000 0.942 1448 N CB 0.515 39.217 38.487 0.359 0.000 1.140 1448 N HN 0.700 nan 8.380 nan 0.000 0.501 1449 I N 0.180 120.780 120.570 0.050 0.000 3.904 1449 I HA 0.300 4.468 4.170 -0.004 0.000 0.333 1449 I C 0.815 176.708 176.117 -0.372 0.000 1.361 1449 I CA -0.347 60.818 61.300 -0.224 0.000 1.116 1449 I CB -0.094 37.706 38.000 -0.334 0.000 1.028 1449 I HN 0.116 nan 8.210 nan 0.000 0.398 1450 N N 2.613 121.245 118.700 -0.113 0.000 2.137 1450 N HA -0.241 4.496 4.740 -0.004 0.000 0.190 1450 N C 1.665 176.987 175.510 -0.314 0.000 1.017 1450 N CA 2.113 55.087 53.050 -0.125 0.000 0.859 1450 N CB -0.469 38.154 38.487 0.227 0.000 1.002 1450 N HN 0.759 nan 8.380 nan 0.000 0.428 1451 F N 0.033 119.578 119.950 -0.676 0.000 2.269 1451 F HA -0.025 4.500 4.527 -0.004 0.000 0.301 1451 F C 1.802 177.388 175.800 -0.357 0.000 1.082 1451 F CA 0.899 58.487 58.000 -0.686 0.000 1.360 1451 F CB -0.598 37.695 39.000 -1.178 0.000 1.041 1451 F HN 0.042 nan 8.300 nan 0.000 0.512 1452 Q N 0.472 119.689 119.800 -0.972 0.000 2.376 1452 Q HA 0.087 4.425 4.340 -0.004 0.000 0.206 1452 Q C 2.015 177.782 176.000 -0.388 0.000 0.921 1452 Q CA 1.225 56.640 55.803 -0.648 0.000 0.911 1452 Q CB 0.538 28.852 28.738 -0.707 0.000 1.032 1452 Q HN 0.583 nan 8.270 nan 0.000 0.510 1453 V N -3.388 116.302 119.914 -0.373 0.000 3.562 1453 V HA 0.304 4.422 4.120 -0.004 0.000 0.270 1453 V C 0.307 176.209 176.094 -0.321 0.000 1.418 1453 V CA -0.188 61.931 62.300 -0.300 0.000 1.033 1453 V CB 0.380 32.038 31.823 -0.275 0.000 0.820 1453 V HN -0.075 nan 8.190 nan 0.000 0.441 1454 K N 2.125 122.329 120.400 -0.327 0.000 2.235 1454 K HA 0.481 4.799 4.320 -0.004 0.000 0.266 1454 K C -0.305 176.062 176.600 -0.388 0.000 0.980 1454 K CA -0.558 55.500 56.287 -0.381 0.000 0.849 1454 K CB 1.318 33.620 32.500 -0.331 0.000 1.098 1454 K HN 0.346 nan 8.250 nan 0.000 0.445 1455 K N 1.815 121.869 120.400 -0.577 0.000 2.107 1455 K HA 0.024 4.342 4.320 -0.004 0.000 0.251 1455 K C 0.593 176.864 176.600 -0.548 0.000 1.012 1455 K CA -0.442 55.477 56.287 -0.613 0.000 0.920 1455 K CB 0.714 32.599 32.500 -1.025 0.000 1.033 1455 K HN 0.667 nan 8.250 nan 0.000 0.478 1456 D N 0.627 120.839 120.400 -0.313 0.000 2.312 1456 D HA -0.159 4.478 4.640 -0.004 0.000 0.211 1456 D C 0.968 177.240 176.300 -0.047 0.000 0.964 1456 D CA 0.913 54.843 54.000 -0.116 0.000 0.877 1456 D CB -0.132 40.678 40.800 0.017 0.000 0.924 1456 D HN 0.717 nan 8.370 nan 0.000 0.515 1457 W N -0.362 120.901 121.300 -0.062 0.000 3.278 1457 W HA 0.404 5.062 4.660 -0.004 0.000 0.308 1457 W C -0.090 176.396 176.519 -0.054 0.000 1.253 1457 W CA -0.845 56.473 57.345 -0.045 0.000 1.759 1457 W CB -0.794 28.649 29.460 -0.028 0.000 1.093 1457 W HN -0.172 nan 8.180 nan 0.000 0.648 1458 M N 1.956 121.311 119.600 -0.408 0.000 2.216 1458 M HA 0.182 4.660 4.480 -0.004 0.000 0.356 1458 M C 1.161 177.370 176.300 -0.151 0.000 1.205 1458 M CA 0.306 55.409 55.300 -0.328 0.000 1.122 1458 M CB 1.967 34.172 32.600 -0.658 0.000 1.571 1458 M HN -0.185 nan 8.290 nan 0.000 0.464 1459 K N 1.928 122.303 120.400 -0.041 0.000 2.167 1459 K HA 0.190 4.507 4.320 -0.004 0.000 0.214 1459 K C 0.139 176.710 176.600 -0.048 0.000 1.024 1459 K CA 0.526 56.789 56.287 -0.041 0.000 0.951 1459 K CB 0.194 32.692 32.500 -0.004 0.000 0.907 1459 K HN 0.508 nan 8.250 nan 0.000 0.459 1460 F N 2.045 121.877 119.950 -0.197 0.000 2.396 1460 F HA 0.395 4.920 4.527 -0.003 0.000 0.343 1460 F C -0.832 174.860 175.800 -0.179 0.000 1.104 1460 F CA -0.993 56.882 58.000 -0.208 0.000 1.161 1460 F CB 0.810 39.600 39.000 -0.350 0.000 1.146 1460 F HN -0.115 nan 8.300 nan 0.000 0.522 1461 L N 6.215 126.857 121.223 -0.968 0.000 2.441 1461 L HA 0.827 5.165 4.340 -0.004 0.000 0.270 1461 L C -0.839 175.257 176.870 -1.289 0.000 0.973 1461 L CA -0.066 54.221 54.840 -0.921 0.000 0.842 1461 L CB 1.579 43.329 42.059 -0.514 0.000 1.239 1461 L HN 0.746 nan 8.230 nan 0.000 0.406 1462 G N 4.684 112.685 108.800 -1.331 0.000 2.574 1462 G HA2 0.537 4.494 3.960 -0.004 0.000 0.299 1462 G HA3 0.537 4.494 3.960 -0.004 0.000 0.299 1462 G C -0.990 173.794 174.900 -0.193 0.000 1.298 1462 G CA -0.829 43.808 45.100 -0.771 0.000 0.952 1462 G HN 0.434 nan 8.290 nan 0.000 0.477 1463 I N 1.178 121.717 120.570 -0.051 0.000 2.710 1463 I HA 0.204 4.371 4.170 -0.004 0.000 0.286 1463 I C 1.108 177.377 176.117 0.254 0.000 1.181 1463 I CA -0.259 61.081 61.300 0.067 0.000 1.430 1463 I CB 0.871 38.888 38.000 0.030 0.000 1.367 1463 I HN 0.510 nan 8.210 nan 0.000 0.577 1464 A N 9.823 132.783 122.820 0.233 0.000 2.279 1464 A HA 0.542 4.859 4.320 -0.004 0.000 0.306 1464 A C -2.147 175.494 177.584 0.094 0.000 1.300 1464 A CA -1.316 50.832 52.037 0.185 0.000 0.925 1464 A CB -0.250 18.800 19.000 0.084 0.000 1.152 1464 A HN 0.475 nan 8.150 nan 0.000 0.544 1465 P HA 0.453 nan 4.420 nan 0.000 0.272 1465 P C 0.789 178.119 177.300 0.050 0.000 1.223 1465 P CA 1.052 64.207 63.100 0.093 0.000 0.784 1465 P CB 1.599 33.393 31.700 0.156 0.000 0.923 1466 G N 2.150 110.990 108.800 0.066 0.000 1.695 1466 G HA2 -0.030 3.928 3.960 -0.004 0.000 0.089 1466 G HA3 -0.030 3.928 3.960 -0.004 0.000 0.089 1466 G C -0.856 174.105 174.900 0.101 0.000 1.061 1466 G CA -0.324 44.820 45.100 0.072 0.000 1.207 1466 G HN 0.807 nan 8.290 nan 0.000 0.389 1467 R N 0.193 120.757 120.500 0.108 0.000 2.817 1467 R HA 0.730 5.068 4.340 -0.004 0.000 0.268 1467 R C 0.152 176.529 176.300 0.128 0.000 1.027 1467 R CA -0.412 55.774 56.100 0.143 0.000 0.928 1467 R CB 1.334 31.789 30.300 0.259 0.000 1.228 1467 R HN 1.173 nan 8.270 nan 0.000 0.469 1468 G N 0.442 109.321 108.800 0.132 0.000 2.795 1468 G HA2 0.722 4.680 3.960 -0.004 0.000 0.267 1468 G HA3 0.722 4.680 3.960 -0.004 0.000 0.267 1468 G C -0.358 174.661 174.900 0.198 0.000 1.362 1468 G CA -1.062 44.130 45.100 0.154 0.000 1.048 1468 G HN 0.701 nan 8.290 nan 0.000 0.547 1469 I N -3.522 117.163 120.570 0.191 0.000 3.074 1469 I HA 0.700 4.867 4.170 -0.004 0.000 0.310 1469 I C -1.169 175.053 176.117 0.175 0.000 1.153 1469 I CA -1.147 60.270 61.300 0.196 0.000 0.993 1469 I CB 2.547 40.647 38.000 0.166 0.000 1.237 1469 I HN 0.482 nan 8.210 nan 0.000 0.443 1470 Q N 3.101 123.001 119.800 0.167 0.000 2.331 1470 Q HA 0.568 4.906 4.340 -0.004 0.000 0.267 1470 Q C -1.295 174.766 176.000 0.103 0.000 1.006 1470 Q CA -0.803 55.077 55.803 0.128 0.000 0.818 1470 Q CB 2.090 30.911 28.738 0.139 0.000 1.276 1470 Q HN 0.706 nan 8.270 nan 0.000 0.450 1471 I N 4.107 124.724 120.570 0.078 0.000 2.648 1471 I HA -0.047 4.120 4.170 -0.004 0.000 0.284 1471 I C 0.927 177.080 176.117 0.061 0.000 1.153 1471 I CA 0.078 61.419 61.300 0.068 0.000 1.426 1471 I CB 0.604 38.639 38.000 0.058 0.000 1.381 1471 I HN 0.616 nan 8.210 nan 0.000 0.571 1472 K N 4.138 124.572 120.400 0.056 0.000 2.335 1472 K HA 0.244 4.561 4.320 -0.004 0.000 0.195 1472 K C 0.005 176.626 176.600 0.034 0.000 1.058 1472 K CA 0.499 56.812 56.287 0.045 0.000 0.988 1472 K CB 0.181 32.707 32.500 0.042 0.000 0.880 1472 K HN 0.574 nan 8.250 nan 0.000 0.513 1473 N N 0.136 118.858 118.700 0.036 0.000 2.265 1473 N HA 0.404 5.141 4.740 -0.004 0.000 0.300 1473 N C 0.161 175.687 175.510 0.027 0.000 1.148 1473 N CA 0.246 53.314 53.050 0.029 0.000 0.772 1473 N CB 2.512 41.020 38.487 0.034 0.000 1.434 1473 N HN 0.150 nan 8.380 nan 0.000 0.481 1474 G N 0.837 109.643 108.800 0.011 0.000 2.681 1474 G HA2 -0.250 3.708 3.960 -0.004 0.000 0.220 1474 G HA3 -0.250 3.708 3.960 -0.004 0.000 0.220 1474 G C 0.402 175.265 174.900 -0.061 0.000 1.353 1474 G CA -0.215 44.879 45.100 -0.009 0.000 0.872 1474 G HN 0.623 nan 8.290 nan 0.000 0.557 1475 E N -0.240 119.877 120.200 -0.139 0.000 2.265 1475 E HA -0.103 4.245 4.350 -0.004 0.000 0.196 1475 E C 1.237 177.585 176.600 -0.419 0.000 0.996 1475 E CA 1.113 57.332 56.400 -0.301 0.000 0.832 1475 E CB -0.069 29.368 29.700 -0.439 0.000 0.756 1475 E HN 0.526 nan 8.360 nan 0.000 0.491 1476 H N 0.294 119.340 119.070 -0.041 0.000 2.505 1476 H HA 0.140 4.694 4.556 -0.004 0.000 0.286 1476 H C 0.122 175.425 175.328 -0.042 0.000 1.072 1476 H CA -0.101 55.911 56.048 -0.061 0.000 1.141 1476 H CB -0.023 29.674 29.762 -0.107 0.000 1.550 1476 H HN -0.003 nan 8.280 nan 0.000 0.547 1477 K N 0.736 121.158 120.400 0.036 0.000 2.504 1477 K HA 0.008 4.326 4.320 -0.004 0.000 0.278 1477 K C 1.024 177.642 176.600 0.031 0.000 1.025 1477 K CA 1.254 57.560 56.287 0.031 0.000 1.093 1477 K CB 0.122 32.630 32.500 0.012 0.000 0.873 1477 K HN 0.515 nan 8.250 nan 0.000 0.483 1478 G N 3.338 112.160 108.800 0.037 0.000 2.234 1478 G HA2 -0.308 3.649 3.960 -0.004 0.000 0.235 1478 G HA3 -0.308 3.649 3.960 -0.004 0.000 0.235 1478 G C 0.140 175.050 174.900 0.018 0.000 0.997 1478 G CA 0.224 45.342 45.100 0.030 0.000 0.623 1478 G HN 0.724 nan 8.290 nan 0.000 0.514 1479 R N 0.878 121.390 120.500 0.020 0.000 2.522 1479 R HA 0.464 4.802 4.340 -0.004 0.000 0.284 1479 R C 0.142 176.446 176.300 0.007 0.000 1.032 1479 R CA -0.175 55.921 56.100 -0.007 0.000 1.049 1479 R CB 0.010 30.289 30.300 -0.035 0.000 0.956 1479 R HN 0.303 nan 8.270 nan 0.000 0.422 1480 I N 5.158 125.709 120.570 -0.032 0.000 2.331 1480 I HA 0.193 4.360 4.170 -0.004 0.000 0.292 1480 I C -0.542 175.651 176.117 0.127 0.000 0.998 1480 I CA -0.717 60.594 61.300 0.019 0.000 1.267 1480 I CB 1.738 39.684 38.000 -0.089 0.000 1.386 1480 I HN 0.309 nan 8.210 nan 0.000 0.476 1481 V N 7.384 127.411 119.914 0.189 0.000 2.487 1481 V HA 0.410 4.528 4.120 -0.004 0.000 0.298 1481 V C -0.265 175.979 176.094 0.251 0.000 1.028 1481 V CA -0.654 61.793 62.300 0.246 0.000 0.860 1481 V CB 2.108 34.039 31.823 0.179 0.000 0.991 1481 V HN 0.388 nan 8.190 nan 0.000 0.427 1482 V N 7.081 127.160 119.914 0.276 0.000 2.409 1482 V HA 0.385 4.502 4.120 -0.004 0.000 0.290 1482 V C -2.493 173.693 176.094 0.155 0.000 1.017 1482 V CA -2.034 60.371 62.300 0.175 0.000 0.841 1482 V CB 2.106 33.978 31.823 0.082 0.000 1.003 1482 V HN 0.701 nan 8.190 nan 0.000 0.426 1483 P HA 0.224 nan 4.420 nan 0.000 0.265 1483 P C -0.554 176.820 177.300 0.123 0.000 1.193 1483 P CA 0.373 63.552 63.100 0.132 0.000 0.765 1483 P CB 0.833 32.593 31.700 0.100 0.000 0.823 1484 V N 1.401 121.408 119.914 0.154 0.000 3.182 1484 V HA 0.855 4.973 4.120 -0.004 0.000 0.308 1484 V C -1.380 174.905 176.094 0.319 0.000 1.240 1484 V CA -1.144 61.273 62.300 0.195 0.000 1.063 1484 V CB 1.929 33.808 31.823 0.093 0.000 1.076 1484 V HN 0.634 nan 8.190 nan 0.000 0.446 1485 Y N -0.301 120.044 120.300 0.074 0.000 2.609 1485 Y HA 0.921 5.468 4.550 -0.004 0.000 0.336 1485 Y C -1.337 174.673 175.900 0.183 0.000 1.129 1485 Y CA -1.318 56.816 58.100 0.057 0.000 1.040 1485 Y CB 1.709 40.211 38.460 0.069 0.000 1.310 1485 Y HN 1.062 nan 8.280 nan 0.000 0.460 1486 Y N -1.069 119.325 120.300 0.156 0.000 2.615 1486 Y HA 0.841 5.389 4.550 -0.004 0.000 0.341 1486 Y C -0.906 175.112 175.900 0.197 0.000 1.089 1486 Y CA -1.090 57.038 58.100 0.046 0.000 1.049 1486 Y CB 1.408 39.806 38.460 -0.102 0.000 1.296 1486 Y HN 0.817 nan 8.280 nan 0.000 0.470 1487 T N -0.337 114.444 114.554 0.378 0.000 2.918 1487 T HA 0.561 4.909 4.350 -0.004 0.000 0.286 1487 T C -0.377 174.530 174.700 0.346 0.000 1.026 1487 T CA -0.827 61.438 62.100 0.275 0.000 1.031 1487 T CB 1.462 70.360 68.868 0.050 0.000 1.046 1487 T HN 0.928 nan 8.240 nan 0.000 0.479 1488 N N 0.841 119.759 118.700 0.363 0.000 2.495 1488 N HA 0.230 4.967 4.740 -0.004 0.000 0.294 1488 N C 0.783 176.437 175.510 0.238 0.000 1.276 1488 N CA -0.797 52.502 53.050 0.416 0.000 0.973 1488 N CB 0.031 38.763 38.487 0.409 0.000 1.143 1488 N HN 0.755 nan 8.380 nan 0.000 0.589 1489 E N -0.637 119.695 120.200 0.220 0.000 2.204 1489 E HA -0.108 4.240 4.350 -0.004 0.000 0.195 1489 E C 0.819 177.479 176.600 0.099 0.000 0.990 1489 E CA 0.993 57.475 56.400 0.137 0.000 0.821 1489 E CB -0.108 29.665 29.700 0.121 0.000 0.750 1489 E HN 0.526 nan 8.360 nan 0.000 0.477 1490 K N -0.641 119.820 120.400 0.102 0.000 2.487 1490 K HA 0.056 4.373 4.320 -0.004 0.000 0.192 1490 K C 1.012 177.670 176.600 0.097 0.000 1.027 1490 K CA 0.452 56.791 56.287 0.086 0.000 1.054 1490 K CB 0.615 33.159 32.500 0.075 0.000 0.824 1490 K HN 0.211 nan 8.250 nan 0.000 0.510 1491 G N 1.641 110.500 108.800 0.098 0.000 2.159 1491 G HA2 -0.225 3.732 3.960 -0.004 0.000 0.256 1491 G HA3 -0.225 3.732 3.960 -0.004 0.000 0.256 1491 G C -0.316 174.645 174.900 0.101 0.000 0.977 1491 G CA -0.075 45.069 45.100 0.074 0.000 0.652 1491 G HN 0.056 nan 8.290 nan 0.000 0.531 1492 K N 0.750 121.228 120.400 0.130 0.000 2.172 1492 K HA 0.468 4.786 4.320 -0.004 0.000 0.276 1492 K C 0.551 177.248 176.600 0.162 0.000 1.013 1492 K CA -0.306 56.064 56.287 0.139 0.000 0.913 1492 K CB 1.163 33.732 32.500 0.115 0.000 1.055 1492 K HN 0.532 nan 8.250 nan 0.000 0.461 1493 Q N 0.752 120.653 119.800 0.168 0.000 2.243 1493 Q HA 0.376 4.714 4.340 -0.004 0.000 0.252 1493 Q C -0.632 175.405 176.000 0.061 0.000 0.909 1493 Q CA -0.305 55.607 55.803 0.182 0.000 0.922 1493 Q CB 1.503 30.417 28.738 0.293 0.000 1.215 1493 Q HN 0.414 nan 8.270 nan 0.000 0.427 1494 S N 0.851 116.482 115.700 -0.116 0.000 2.548 1494 S HA 0.392 4.860 4.470 -0.004 0.000 0.276 1494 S C -0.852 173.511 174.600 -0.394 0.000 1.129 1494 S CA -0.760 57.281 58.200 -0.266 0.000 0.931 1494 S CB 1.880 64.882 63.200 -0.331 0.000 1.068 1494 S HN 0.522 nan 8.310 nan 0.000 0.480 1495 S N 1.709 117.286 115.700 -0.203 0.000 2.603 1495 S HA 0.862 5.329 4.470 -0.004 0.000 0.268 1495 S C 0.237 174.772 174.600 -0.107 0.000 1.317 1495 S CA -0.406 57.717 58.200 -0.129 0.000 1.012 1495 S CB 1.168 64.269 63.200 -0.165 0.000 0.926 1495 S HN 1.037 nan 8.310 nan 0.000 0.539 1496 A N 0.542 123.386 122.820 0.039 0.000 2.467 1496 A HA 0.745 5.063 4.320 -0.004 0.000 0.301 1496 A C -1.090 176.634 177.584 0.233 0.000 1.126 1496 A CA -0.567 51.582 52.037 0.186 0.000 0.632 1496 A CB 0.436 19.664 19.000 0.380 0.000 1.331 1496 A HN 1.312 nan 8.150 nan 0.000 0.482 1497 V N -0.926 119.204 119.914 0.360 0.000 2.823 1497 V HA 0.868 4.986 4.120 -0.004 0.000 0.312 1497 V C -0.196 176.091 176.094 0.323 0.000 1.072 1497 V CA -0.603 61.898 62.300 0.334 0.000 0.937 1497 V CB 1.315 33.380 31.823 0.403 0.000 1.013 1497 V HN 1.426 nan 8.190 nan 0.000 0.430 1498 I N 2.254 122.971 120.570 0.246 0.000 2.577 1498 I HA 0.917 5.084 4.170 -0.004 0.000 0.305 1498 I C -0.610 175.758 176.117 0.418 0.000 0.986 1498 I CA -0.759 60.666 61.300 0.208 0.000 1.189 1498 I CB 1.819 39.861 38.000 0.069 0.000 1.355 1498 I HN 0.970 nan 8.210 nan 0.000 0.476 1499 Y N 1.703 122.181 120.300 0.296 0.000 2.609 1499 Y HA 0.754 5.301 4.550 -0.004 0.000 0.336 1499 Y C -1.028 174.749 175.900 -0.206 0.000 1.129 1499 Y CA -1.210 56.963 58.100 0.122 0.000 1.040 1499 Y CB 1.184 39.651 38.460 0.011 0.000 1.310 1499 Y HN 0.679 nan 8.280 nan 0.000 0.460 1500 S N 0.537 116.007 115.700 -0.383 0.000 2.557 1500 S HA 0.392 4.859 4.470 -0.004 0.000 0.291 1500 S C -1.002 173.404 174.600 -0.324 0.000 1.116 1500 S CA -0.624 57.136 58.200 -0.732 0.000 0.992 1500 S CB 1.024 63.209 63.200 -1.692 0.000 1.028 1500 S HN 0.768 nan 8.310 nan 0.000 0.484 1501 D N 2.302 122.582 120.400 -0.200 0.000 2.369 1501 D HA 0.133 4.770 4.640 -0.004 0.000 0.211 1501 D C -0.169 176.057 176.300 -0.123 0.000 1.077 1501 D CA 0.280 54.222 54.000 -0.098 0.000 0.842 1501 D CB 0.436 41.230 40.800 -0.010 0.000 0.947 1501 D HN 0.736 nan 8.370 nan 0.000 0.509 1502 D N -0.883 119.396 120.400 -0.202 0.000 2.957 1502 D HA 0.085 4.723 4.640 -0.004 0.000 0.352 1502 D C -0.129 176.073 176.300 -0.162 0.000 1.352 1502 D CA -0.757 53.153 54.000 -0.151 0.000 0.831 1502 D CB 0.105 40.829 40.800 -0.127 0.000 1.147 1502 D HN -0.315 nan 8.370 nan 0.000 0.467 1503 S N -0.392 115.215 115.700 -0.155 0.000 3.635 1503 S HA -0.056 4.412 4.470 -0.004 0.000 0.328 1503 S C 1.415 175.969 174.600 -0.077 0.000 1.135 1503 S CA 1.047 59.212 58.200 -0.058 0.000 0.942 1503 S CB -1.595 61.618 63.200 0.022 0.000 0.930 1503 S HN 1.459 nan 8.310 nan 0.000 0.512 1504 G N 0.319 108.861 108.800 -0.430 0.000 2.157 1504 G HA2 -0.359 3.599 3.960 -0.004 0.000 0.248 1504 G HA3 -0.359 3.599 3.960 -0.004 0.000 0.248 1504 G C 0.570 175.359 174.900 -0.186 0.000 0.979 1504 G CA 1.076 45.838 45.100 -0.564 0.000 0.650 1504 G HN 0.660 nan 8.290 nan 0.000 0.529 1505 K N -0.088 120.201 120.400 -0.185 0.000 2.116 1505 K HA 0.032 4.350 4.320 -0.004 0.000 0.203 1505 K C 0.673 177.236 176.600 -0.060 0.000 1.052 1505 K CA 1.290 57.553 56.287 -0.041 0.000 0.952 1505 K CB -0.048 32.429 32.500 -0.038 0.000 0.729 1505 K HN 0.540 nan 8.250 nan 0.000 0.446 1506 N N -1.261 117.269 118.700 -0.283 0.000 2.229 1506 N HA 0.296 5.034 4.740 -0.004 0.000 0.298 1506 N C -1.815 173.360 175.510 -0.558 0.000 1.114 1506 N CA -0.741 52.167 53.050 -0.237 0.000 0.776 1506 N CB 1.283 39.674 38.487 -0.159 0.000 1.501 1506 N HN 0.021 nan 8.380 nan 0.000 0.474 1507 W N -0.164 120.983 121.300 -0.256 0.000 2.962 1507 W HA 0.722 5.380 4.660 -0.004 0.000 0.341 1507 W C 0.030 176.317 176.519 -0.387 0.000 1.155 1507 W CA -0.527 56.631 57.345 -0.313 0.000 1.165 1507 W CB 2.058 31.336 29.460 -0.303 0.000 1.435 1507 W HN 0.217 nan 8.180 nan 0.000 0.546 1508 T N 1.492 115.872 114.554 -0.290 0.000 2.816 1508 T HA 0.618 4.966 4.350 -0.004 0.000 0.299 1508 T C -1.687 172.753 174.700 -0.434 0.000 1.230 1508 T CA -0.645 61.230 62.100 -0.375 0.000 1.007 1508 T CB 1.175 69.793 68.868 -0.418 0.000 1.289 1508 T HN 0.416 nan 8.240 nan 0.000 0.508 1509 I N 1.884 122.295 120.570 -0.265 0.000 2.412 1509 I HA 0.703 4.870 4.170 -0.004 0.000 0.296 1509 I C 0.836 176.969 176.117 0.027 0.000 0.987 1509 I CA -0.371 60.866 61.300 -0.105 0.000 1.180 1509 I CB 1.157 39.102 38.000 -0.092 0.000 1.340 1509 I HN 0.771 nan 8.210 nan 0.000 0.455 1510 G N 5.120 114.067 108.800 0.245 0.000 2.588 1510 G HA2 0.262 4.219 3.960 -0.004 0.000 0.281 1510 G HA3 0.262 4.219 3.960 -0.004 0.000 0.281 1510 G C -0.498 174.600 174.900 0.331 0.000 1.236 1510 G CA -0.503 44.810 45.100 0.355 0.000 0.969 1510 G HN 0.698 nan 8.290 nan 0.000 0.504 1511 E N -0.546 119.856 120.200 0.337 0.000 2.408 1511 E HA 0.227 4.575 4.350 -0.004 0.000 0.259 1511 E C 0.283 177.187 176.600 0.506 0.000 1.110 1511 E CA -0.045 56.584 56.400 0.381 0.000 0.929 1511 E CB 0.904 30.797 29.700 0.321 0.000 0.971 1511 E HN 0.304 nan 8.360 nan 0.000 0.438 1512 S N 1.268 117.224 115.700 0.426 0.000 2.592 1512 S HA 0.110 4.578 4.470 -0.004 0.000 0.271 1512 S C -1.826 172.883 174.600 0.182 0.000 1.326 1512 S CA -1.475 56.873 58.200 0.247 0.000 1.024 1512 S CB 0.628 63.939 63.200 0.185 0.000 0.921 1512 S HN 0.213 nan 8.310 nan 0.000 0.527 1513 P HA 0.002 nan 4.420 nan 0.000 0.225 1513 P C 0.628 177.949 177.300 0.035 0.000 1.148 1513 P CA 0.717 63.777 63.100 -0.067 0.000 0.779 1513 P CB 0.033 31.543 31.700 -0.317 0.000 0.780 1514 N N -0.719 117.998 118.700 0.029 0.000 2.494 1514 N HA -0.048 4.690 4.740 -0.004 0.000 0.182 1514 N C -0.034 175.536 175.510 0.099 0.000 1.076 1514 N CA 0.836 53.920 53.050 0.057 0.000 0.908 1514 N CB -0.491 38.021 38.487 0.042 0.000 0.967 1514 N HN 0.159 nan 8.380 nan 0.000 0.449 1515 D N 1.900 122.388 120.400 0.148 0.000 2.339 1515 D HA 0.095 4.733 4.640 -0.004 0.000 0.256 1515 D C 0.376 176.752 176.300 0.126 0.000 1.214 1515 D CA 0.076 54.164 54.000 0.148 0.000 0.877 1515 D CB 0.217 41.137 40.800 0.200 0.000 1.111 1515 D HN 0.058 nan 8.370 nan 0.000 0.478 1516 N N 1.401 120.155 118.700 0.090 0.000 2.741 1516 N HA -0.246 4.492 4.740 -0.004 0.000 0.250 1516 N C 0.172 175.732 175.510 0.084 0.000 1.115 1516 N CA 0.475 53.572 53.050 0.079 0.000 0.724 1516 N CB -0.942 37.594 38.487 0.082 0.000 1.090 1516 N HN 0.546 nan 8.380 nan 0.000 0.558 1517 R N 1.639 122.187 120.500 0.080 0.000 2.543 1517 R HA 0.157 4.495 4.340 -0.004 0.000 0.277 1517 R C 0.274 176.611 176.300 0.061 0.000 1.074 1517 R CA -0.040 56.105 56.100 0.075 0.000 1.076 1517 R CB 0.641 30.979 30.300 0.062 0.000 0.993 1517 R HN 0.096 nan 8.270 nan 0.000 0.459 1518 K N 5.662 126.100 120.400 0.063 0.000 2.253 1518 K HA 0.218 4.535 4.320 -0.004 0.000 0.277 1518 K C -0.420 176.207 176.600 0.046 0.000 1.053 1518 K CA -0.487 55.832 56.287 0.053 0.000 0.892 1518 K CB 0.637 33.172 32.500 0.058 0.000 1.102 1518 K HN 0.501 nan 8.250 nan 0.000 0.469 1519 L N 2.880 124.125 121.223 0.037 0.000 2.475 1519 L HA 0.125 4.463 4.340 -0.004 0.000 0.253 1519 L C 1.743 178.630 176.870 0.028 0.000 1.198 1519 L CA -0.112 54.746 54.840 0.031 0.000 0.814 1519 L CB 0.543 42.617 42.059 0.026 0.000 1.134 1519 L HN 0.798 nan 8.230 nan 0.000 0.478 1520 E N 1.026 121.240 120.200 0.023 0.000 2.153 1520 E HA -0.228 4.120 4.350 -0.004 0.000 0.194 1520 E C 1.371 177.981 176.600 0.017 0.000 0.988 1520 E CA 1.489 57.901 56.400 0.019 0.000 0.811 1520 E CB 0.100 29.809 29.700 0.015 0.000 0.746 1520 E HN 0.770 nan 8.360 nan 0.000 0.466 1521 N N -0.497 118.213 118.700 0.017 0.000 2.521 1521 N HA -0.000 4.737 4.740 -0.004 0.000 0.188 1521 N C 1.200 176.719 175.510 0.016 0.000 1.146 1521 N CA 1.107 54.166 53.050 0.015 0.000 0.893 1521 N CB 0.334 38.829 38.487 0.014 0.000 0.975 1521 N HN 0.279 nan 8.380 nan 0.000 0.451 1522 G N -0.377 108.435 108.800 0.020 0.000 2.213 1522 G HA2 -0.342 3.616 3.960 -0.004 0.000 0.236 1522 G HA3 -0.342 3.616 3.960 -0.004 0.000 0.236 1522 G C -0.003 174.911 174.900 0.024 0.000 0.991 1522 G CA 0.244 45.357 45.100 0.022 0.000 0.629 1522 G HN 0.722 nan 8.290 nan 0.000 0.517 1523 K N 0.855 121.268 120.400 0.022 0.000 2.258 1523 K HA 0.501 4.819 4.320 -0.004 0.000 0.264 1523 K C 0.304 176.920 176.600 0.027 0.000 1.007 1523 K CA -0.454 55.846 56.287 0.022 0.000 0.941 1523 K CB 0.228 32.739 32.500 0.019 0.000 0.966 1523 K HN 0.046 nan 8.250 nan 0.000 0.480 1524 I N 5.962 126.548 120.570 0.026 0.000 2.377 1524 I HA 0.305 4.472 4.170 -0.004 0.000 0.293 1524 I C 0.338 176.471 176.117 0.027 0.000 0.987 1524 I CA -0.664 60.655 61.300 0.031 0.000 1.185 1524 I CB 0.664 38.683 38.000 0.031 0.000 1.341 1524 I HN 0.687 nan 8.210 nan 0.000 0.455 1525 I N 3.970 124.559 120.570 0.032 0.000 3.170 1525 I HA 0.723 4.891 4.170 -0.004 0.000 0.312 1525 I C -0.659 175.477 176.117 0.032 0.000 1.085 1525 I CA -0.766 60.551 61.300 0.027 0.000 0.999 1525 I CB 2.413 40.431 38.000 0.029 0.000 1.233 1525 I HN 0.596 nan 8.210 nan 0.000 0.467 1526 N N 0.374 119.088 118.700 0.022 0.000 2.494 1526 N HA 0.200 4.937 4.740 -0.004 0.000 0.270 1526 N C 0.026 175.558 175.510 0.037 0.000 1.285 1526 N CA -0.054 53.015 53.050 0.031 0.000 0.812 1526 N CB 1.840 40.330 38.487 0.005 0.000 1.557 1526 N HN 0.813 nan 8.380 nan 0.000 0.487 1527 S N 0.666 116.427 115.700 0.102 0.000 2.423 1527 S HA -0.141 4.326 4.470 -0.004 0.000 0.231 1527 S C 1.478 176.150 174.600 0.120 0.000 1.014 1527 S CA 1.070 59.388 58.200 0.196 0.000 0.965 1527 S CB -0.220 63.232 63.200 0.419 0.000 0.785 1527 S HN 0.730 nan 8.310 nan 0.000 0.495 1528 K N 1.476 121.745 120.400 -0.218 0.000 2.155 1528 K HA -0.051 4.267 4.320 -0.004 0.000 0.203 1528 K C 1.805 178.230 176.600 -0.291 0.000 1.052 1528 K CA 1.598 57.471 56.287 -0.691 0.000 0.948 1528 K CB -0.237 31.561 32.500 -1.169 0.000 0.728 1528 K HN 0.646 nan 8.250 nan 0.000 0.448 1529 T N -1.264 113.195 114.554 -0.159 0.000 3.054 1529 T HA 0.132 4.479 4.350 -0.004 0.000 0.255 1529 T C 0.417 175.108 174.700 -0.016 0.000 1.035 1529 T CA -0.574 61.476 62.100 -0.084 0.000 0.941 1529 T CB 0.009 68.830 68.868 -0.079 0.000 1.026 1529 T HN 0.048 nan 8.240 nan 0.000 0.533 1530 L N 4.050 125.282 121.223 0.013 0.000 2.667 1530 L HA 0.220 4.558 4.340 -0.004 0.000 0.278 1530 L C 0.995 177.893 176.870 0.045 0.000 1.217 1530 L CA 0.632 55.495 54.840 0.038 0.000 0.935 1530 L CB 0.380 42.476 42.059 0.062 0.000 1.193 1530 L HN 0.383 nan 8.230 nan 0.000 0.493 1531 S N 1.131 116.853 115.700 0.037 0.000 2.666 1531 S HA 0.270 4.737 4.470 -0.004 0.000 0.239 1531 S C -0.138 174.487 174.600 0.041 0.000 1.031 1531 S CA -0.209 58.015 58.200 0.040 0.000 1.015 1531 S CB -0.219 62.997 63.200 0.027 0.000 0.981 1531 S HN 0.750 nan 8.310 nan 0.000 0.547 1532 D N 0.450 120.874 120.400 0.039 0.000 2.423 1532 D HA 0.384 5.021 4.640 -0.004 0.000 0.235 1532 D C -0.415 175.908 176.300 0.039 0.000 1.011 1532 D CA -0.495 53.527 54.000 0.036 0.000 0.963 1532 D CB 1.027 41.842 40.800 0.025 0.000 1.349 1532 D HN -0.218 nan 8.370 nan 0.000 0.508 1533 D N 0.316 120.736 120.400 0.032 0.000 2.194 1533 D HA 0.003 4.641 4.640 -0.004 0.000 0.204 1533 D C 1.935 178.237 176.300 0.003 0.000 0.964 1533 D CA 1.413 55.428 54.000 0.025 0.000 0.846 1533 D CB -0.258 40.550 40.800 0.013 0.000 0.962 1533 D HN 0.565 nan 8.370 nan 0.000 0.490 1534 A N 1.477 124.297 122.820 -0.000 0.000 1.908 1534 A HA -0.115 4.203 4.320 -0.004 0.000 0.218 1534 A C -0.400 177.183 177.584 -0.002 0.000 1.181 1534 A CA 1.144 53.176 52.037 -0.009 0.000 0.627 1534 A CB -1.429 17.569 19.000 -0.003 0.000 0.818 1534 A HN 0.203 nan 8.150 nan 0.000 0.445 1535 P HA 0.060 nan 4.420 nan 0.000 0.253 1535 P C -0.061 177.249 177.300 0.017 0.000 1.260 1535 P CA 0.039 63.148 63.100 0.015 0.000 0.800 1535 P CB -0.041 31.672 31.700 0.021 0.000 1.162 1536 Q N 0.293 120.106 119.800 0.023 0.000 2.349 1536 Q HA 0.204 4.542 4.340 -0.004 0.000 0.287 1536 Q C -0.271 175.747 176.000 0.031 0.000 1.044 1536 Q CA 0.473 56.300 55.803 0.040 0.000 0.918 1536 Q CB 0.371 29.150 28.738 0.069 0.000 1.242 1536 Q HN 0.197 nan 8.270 nan 0.000 0.405 1537 L N 1.739 122.971 121.223 0.015 0.000 2.385 1537 L HA 0.437 4.774 4.340 -0.004 0.000 0.273 1537 L C 0.455 177.309 176.870 -0.027 0.000 0.990 1537 L CA -0.392 54.434 54.840 -0.023 0.000 0.821 1537 L CB 1.910 43.926 42.059 -0.073 0.000 1.279 1537 L HN 0.856 nan 8.230 nan 0.000 0.412 1538 T N -1.303 113.195 114.554 -0.093 0.000 1.654 1538 T HA 0.340 4.688 4.350 -0.004 0.000 0.183 1538 T C 0.257 174.610 174.700 -0.578 0.000 0.710 1538 T CA -0.597 61.352 62.100 -0.251 0.000 1.182 1538 T CB 0.091 68.827 68.868 -0.220 0.000 3.311 1538 T HN 0.450 nan 8.240 nan 0.000 0.424 1539 E N 0.806 120.444 120.200 -0.937 0.000 2.436 1539 E HA 0.417 4.765 4.350 -0.004 0.000 0.262 1539 E C -0.204 176.193 176.600 -0.338 0.000 1.063 1539 E CA -0.007 55.962 56.400 -0.718 0.000 0.944 1539 E CB 0.200 29.515 29.700 -0.642 0.000 0.950 1539 E HN 0.806 nan 8.360 nan 0.000 0.444 1540 C N 0.333 119.519 119.300 -0.191 0.000 3.311 1540 C HA 0.559 5.016 4.460 -0.004 0.000 0.325 1540 C C -1.407 173.571 174.990 -0.020 0.000 1.352 1540 C CA -1.134 57.836 59.018 -0.079 0.000 1.308 1540 C CB 1.641 29.339 27.740 -0.070 0.000 1.619 1540 C HN 0.596 nan 8.230 nan 0.000 0.469 1541 Q N 0.319 120.142 119.800 0.038 0.000 2.421 1541 Q HA 0.780 5.117 4.340 -0.004 0.000 0.280 1541 Q C -1.394 174.669 176.000 0.105 0.000 1.085 1541 Q CA -0.511 55.320 55.803 0.047 0.000 0.807 1541 Q CB 2.664 31.394 28.738 -0.014 0.000 1.405 1541 Q HN 0.917 nan 8.270 nan 0.000 0.419 1542 V N 1.369 121.353 119.914 0.116 0.000 2.769 1542 V HA 0.822 4.940 4.120 -0.004 0.000 0.312 1542 V C -0.816 175.363 176.094 0.141 0.000 1.061 1542 V CA -0.563 61.849 62.300 0.187 0.000 0.931 1542 V CB 2.011 33.977 31.823 0.239 0.000 1.010 1542 V HN 0.612 nan 8.190 nan 0.000 0.433 1543 V N 2.619 122.644 119.914 0.185 0.000 3.160 1543 V HA 0.732 4.849 4.120 -0.004 0.000 0.310 1543 V C -0.717 175.494 176.094 0.195 0.000 1.181 1543 V CA -0.809 61.583 62.300 0.154 0.000 1.047 1543 V CB 1.879 33.763 31.823 0.102 0.000 1.068 1543 V HN 0.970 nan 8.190 nan 0.000 0.441 1544 E N 1.602 121.887 120.200 0.142 0.000 2.183 1544 E HA 0.534 4.882 4.350 -0.004 0.000 0.271 1544 E C -0.948 175.675 176.600 0.038 0.000 0.919 1544 E CA -0.981 55.479 56.400 0.100 0.000 0.781 1544 E CB 1.671 31.419 29.700 0.080 0.000 1.140 1544 E HN 0.694 nan 8.360 nan 0.000 0.402 1545 M N 3.606 123.181 119.600 -0.042 0.000 2.267 1545 M HA 0.235 4.713 4.480 -0.004 0.000 0.303 1545 M C -1.766 174.416 176.300 -0.196 0.000 1.164 1545 M CA -2.424 52.705 55.300 -0.285 0.000 1.060 1545 M CB -0.169 32.061 32.600 -0.615 0.000 1.455 1545 M HN 0.351 nan 8.290 nan 0.000 0.483 1546 P HA -0.140 nan 4.420 nan 0.000 0.218 1546 P C 0.684 178.000 177.300 0.026 0.000 1.146 1546 P CA 1.376 64.440 63.100 -0.060 0.000 0.813 1546 P CB -0.040 31.650 31.700 -0.017 0.000 0.778 1547 N N -1.765 116.985 118.700 0.083 0.000 2.280 1547 N HA 0.077 4.815 4.740 -0.004 0.000 0.192 1547 N C 1.218 176.789 175.510 0.101 0.000 1.109 1547 N CA 0.828 53.955 53.050 0.128 0.000 0.855 1547 N CB -0.302 38.316 38.487 0.218 0.000 0.974 1547 N HN 0.197 nan 8.380 nan 0.000 0.482 1548 G N -0.013 108.830 108.800 0.073 0.000 2.238 1548 G HA2 -0.288 3.670 3.960 -0.004 0.000 0.217 1548 G HA3 -0.288 3.670 3.960 -0.004 0.000 0.217 1548 G C -0.177 174.773 174.900 0.084 0.000 0.996 1548 G CA 0.094 45.237 45.100 0.072 0.000 0.632 1548 G HN 0.597 nan 8.290 nan 0.000 0.503 1549 Q N 0.691 120.566 119.800 0.125 0.000 2.349 1549 Q HA 0.464 4.802 4.340 -0.004 0.000 0.287 1549 Q C 0.218 176.269 176.000 0.086 0.000 1.044 1549 Q CA 0.170 56.052 55.803 0.131 0.000 0.918 1549 Q CB 0.228 29.131 28.738 0.275 0.000 1.242 1549 Q HN 0.492 nan 8.270 nan 0.000 0.405 1550 L N 3.371 124.620 121.223 0.044 0.000 2.334 1550 L HA 0.517 4.854 4.340 -0.004 0.000 0.275 1550 L C -0.266 176.786 176.870 0.304 0.000 1.036 1550 L CA -0.881 54.050 54.840 0.151 0.000 0.807 1550 L CB 1.436 43.559 42.059 0.107 0.000 1.231 1550 L HN 0.514 nan 8.230 nan 0.000 0.438 1551 K N 3.266 123.918 120.400 0.420 0.000 2.413 1551 K HA 0.464 4.781 4.320 -0.004 0.000 0.257 1551 K C -1.294 175.631 176.600 0.543 0.000 0.946 1551 K CA -0.718 55.886 56.287 0.527 0.000 0.823 1551 K CB 2.556 35.477 32.500 0.701 0.000 1.109 1551 K HN 0.283 nan 8.250 nan 0.000 0.427 1552 L N 4.179 125.624 121.223 0.370 0.000 2.265 1552 L HA 0.439 4.776 4.340 -0.004 0.000 0.289 1552 L C -1.217 175.767 176.870 0.190 0.000 1.033 1552 L CA -0.347 54.586 54.840 0.155 0.000 0.814 1552 L CB 0.188 41.991 42.059 -0.426 0.000 1.203 1552 L HN 0.312 nan 8.230 nan 0.000 0.423 1553 F N 5.874 125.833 119.950 0.015 0.000 2.411 1553 F HA 0.563 5.088 4.527 -0.004 0.000 0.350 1553 F C 0.200 175.985 175.800 -0.025 0.000 1.114 1553 F CA -0.314 57.705 58.000 0.032 0.000 1.135 1553 F CB 1.121 40.188 39.000 0.112 0.000 1.120 1553 F HN 0.344 nan 8.300 nan 0.000 0.495 1554 M N 3.656 123.295 119.600 0.064 0.000 2.395 1554 M HA 0.396 4.874 4.480 -0.004 0.000 0.307 1554 M C -0.150 176.134 176.300 -0.027 0.000 1.091 1554 M CA -0.797 54.487 55.300 -0.026 0.000 0.919 1554 M CB 2.633 35.182 32.600 -0.084 0.000 1.662 1554 M HN 0.470 nan 8.290 nan 0.000 0.440 1555 R N 2.741 123.190 120.500 -0.086 0.000 2.570 1555 R HA 0.244 4.581 4.340 -0.004 0.000 0.277 1555 R C -0.779 175.529 176.300 0.012 0.000 1.039 1555 R CA 0.648 56.700 56.100 -0.079 0.000 1.065 1555 R CB 0.348 30.501 30.300 -0.244 0.000 0.964 1555 R HN 0.980 nan 8.270 nan 0.000 0.428 1556 N N 1.621 120.393 118.700 0.121 0.000 3.277 1556 N HA 0.139 4.877 4.740 -0.004 0.000 0.278 1556 N C -0.779 174.792 175.510 0.101 0.000 1.544 1556 N CA -0.925 52.192 53.050 0.111 0.000 0.869 1556 N CB 0.724 39.232 38.487 0.035 0.000 1.584 1556 N HN 0.411 nan 8.380 nan 0.000 0.564 1557 L N 0.321 121.530 121.223 -0.022 0.000 2.769 1557 L HA 0.287 4.624 4.340 -0.004 0.000 0.240 1557 L C 1.445 178.278 176.870 -0.063 0.000 1.163 1557 L CA 0.106 54.869 54.840 -0.129 0.000 0.962 1557 L CB 0.074 42.008 42.059 -0.208 0.000 1.258 1557 L HN 0.803 nan 8.230 nan 0.000 0.513 1558 S N -1.032 114.665 115.700 -0.005 0.000 2.496 1558 S HA 0.071 4.539 4.470 -0.004 0.000 0.224 1558 S C 1.664 176.277 174.600 0.022 0.000 0.996 1558 S CA 0.712 58.938 58.200 0.042 0.000 0.927 1558 S CB 0.313 63.573 63.200 0.101 0.000 0.774 1558 S HN 0.513 nan 8.310 nan 0.000 0.524 1559 G N -0.532 108.214 108.800 -0.089 0.000 2.217 1559 G HA2 -0.211 3.747 3.960 -0.004 0.000 0.246 1559 G HA3 -0.211 3.747 3.960 -0.004 0.000 0.246 1559 G C -0.118 174.432 174.900 -0.583 0.000 0.990 1559 G CA 0.324 45.223 45.100 -0.335 0.000 0.627 1559 G HN 0.580 nan 8.290 nan 0.000 0.522 1560 Y N -1.111 119.175 120.300 -0.022 0.000 2.609 1560 Y HA 0.688 5.236 4.550 -0.004 0.000 0.342 1560 Y C 0.283 176.152 175.900 -0.052 0.000 1.058 1560 Y CA -1.223 56.850 58.100 -0.044 0.000 1.055 1560 Y CB 1.188 39.619 38.460 -0.048 0.000 1.292 1560 Y HN 0.250 nan 8.280 nan 0.000 0.476 1561 L N 2.725 123.999 121.223 0.085 0.000 2.514 1561 L HA 0.153 4.491 4.340 -0.004 0.000 0.280 1561 L C -0.801 176.050 176.870 -0.032 0.000 1.223 1561 L CA 0.279 55.108 54.840 -0.018 0.000 0.864 1561 L CB -0.169 41.790 42.059 -0.166 0.000 1.118 1561 L HN 0.590 nan 8.230 nan 0.000 0.494 1562 N N 5.085 123.751 118.700 -0.056 0.000 2.314 1562 N HA 0.637 5.375 4.740 -0.004 0.000 0.304 1562 N C -1.199 174.216 175.510 -0.159 0.000 1.073 1562 N CA -0.263 52.742 53.050 -0.075 0.000 0.822 1562 N CB 1.735 40.198 38.487 -0.040 0.000 1.280 1562 N HN 0.524 nan 8.380 nan 0.000 0.489 1563 I N 0.822 121.301 120.570 -0.152 0.000 2.534 1563 I HA 0.591 4.759 4.170 -0.004 0.000 0.288 1563 I C -0.457 175.638 176.117 -0.038 0.000 1.077 1563 I CA -0.946 60.243 61.300 -0.184 0.000 1.051 1563 I CB 1.905 39.745 38.000 -0.267 0.000 1.234 1563 I HN 0.419 nan 8.210 nan 0.000 0.425 1564 A N 4.036 126.840 122.820 -0.026 0.000 2.311 1564 A HA 0.920 5.237 4.320 -0.004 0.000 0.334 1564 A C -0.404 177.359 177.584 0.299 0.000 1.139 1564 A CA -0.469 51.605 52.037 0.062 0.000 0.830 1564 A CB 1.425 20.316 19.000 -0.182 0.000 1.234 1564 A HN 0.612 nan 8.150 nan 0.000 0.483 1565 T N 1.060 115.830 114.554 0.361 0.000 2.841 1565 T HA 0.597 4.944 4.350 -0.004 0.000 0.283 1565 T C -0.459 174.176 174.700 -0.109 0.000 1.000 1565 T CA -0.329 61.871 62.100 0.165 0.000 0.977 1565 T CB 1.373 70.211 68.868 -0.050 0.000 0.979 1565 T HN 0.757 nan 8.240 nan 0.000 0.446 1566 S N 1.440 116.875 115.700 -0.442 0.000 2.532 1566 S HA 0.554 5.022 4.470 -0.004 0.000 0.299 1566 S C -0.288 173.899 174.600 -0.688 0.000 1.105 1566 S CA -0.725 56.937 58.200 -0.896 0.000 1.018 1566 S CB 0.310 62.602 63.200 -1.512 0.000 1.021 1566 S HN 0.510 nan 8.310 nan 0.000 0.483 1567 F N 2.126 121.930 119.950 -0.244 0.000 2.776 1567 F HA 0.249 4.774 4.527 -0.004 0.000 0.300 1567 F C 1.129 176.859 175.800 -0.116 0.000 1.116 1567 F CA -0.364 57.549 58.000 -0.145 0.000 1.375 1567 F CB 0.186 39.101 39.000 -0.141 0.000 1.109 1567 F HN 0.594 nan 8.300 nan 0.000 0.585 1568 D N -1.793 118.551 120.400 -0.093 0.000 2.804 1568 D HA 0.277 4.915 4.640 -0.004 0.000 0.308 1568 D C 1.289 177.354 176.300 -0.392 0.000 1.371 1568 D CA -0.197 53.751 54.000 -0.087 0.000 0.823 1568 D CB -0.122 40.631 40.800 -0.077 0.000 1.126 1568 D HN 0.143 nan 8.370 nan 0.000 0.467 1569 G N -0.135 108.456 108.800 -0.348 0.000 2.198 1569 G HA2 -0.004 3.953 3.960 -0.004 0.000 0.260 1569 G HA3 -0.004 3.953 3.960 -0.004 0.000 0.260 1569 G C 1.172 175.696 174.900 -0.627 0.000 1.025 1569 G CA 0.439 45.234 45.100 -0.508 0.000 0.769 1569 G HN 1.495 nan 8.290 nan 0.000 0.507 1570 G N -1.972 106.442 108.800 -0.643 0.000 2.175 1570 G HA2 0.111 4.068 3.960 -0.004 0.000 0.244 1570 G HA3 0.111 4.068 3.960 -0.004 0.000 0.244 1570 G C 1.549 176.213 174.900 -0.393 0.000 0.982 1570 G CA 1.193 45.954 45.100 -0.565 0.000 0.641 1570 G HN 2.023 nan 8.290 nan 0.000 0.527 1571 A N -0.559 121.996 122.820 -0.440 0.000 1.930 1571 A HA 0.456 4.774 4.320 -0.004 0.000 0.217 1571 A C 1.674 179.196 177.584 -0.103 0.000 1.175 1571 A CA 2.758 54.710 52.037 -0.141 0.000 0.627 1571 A CB -0.275 18.646 19.000 -0.131 0.000 0.815 1571 A HN 2.054 nan 8.150 nan 0.000 0.443 1572 T N -6.182 108.173 114.554 -0.333 0.000 2.841 1572 T HA 0.566 4.914 4.350 -0.004 0.000 0.296 1572 T C -1.312 173.000 174.700 -0.645 0.000 1.166 1572 T CA -0.855 61.106 62.100 -0.232 0.000 1.007 1572 T CB 1.036 69.874 68.868 -0.049 0.000 1.253 1572 T HN 0.355 nan 8.240 nan 0.000 0.511 1573 W N -0.017 121.280 121.300 -0.004 0.000 2.962 1573 W HA 0.585 5.243 4.660 -0.003 0.000 0.341 1573 W C -0.356 176.128 176.519 -0.058 0.000 1.155 1573 W CA -0.567 56.736 57.345 -0.070 0.000 1.165 1573 W CB 1.123 30.566 29.460 -0.028 0.000 1.435 1573 W HN 0.935 nan 8.180 nan 0.000 0.546 1574 D N 1.079 121.508 120.400 0.048 0.000 2.400 1574 D HA -0.048 4.590 4.640 -0.004 0.000 0.238 1574 D C 1.425 177.815 176.300 0.150 0.000 1.157 1574 D CA 0.402 54.448 54.000 0.077 0.000 0.889 1574 D CB 1.086 41.875 40.800 -0.019 0.000 1.199 1574 D HN 0.613 nan 8.370 nan 0.000 0.436 1575 E N 0.449 120.736 120.200 0.145 0.000 2.338 1575 E HA -0.076 4.271 4.350 -0.004 0.000 0.197 1575 E C -0.121 176.551 176.600 0.120 0.000 1.007 1575 E CA 0.496 56.973 56.400 0.128 0.000 0.849 1575 E CB -0.082 29.684 29.700 0.110 0.000 0.774 1575 E HN 0.202 nan 8.360 nan 0.000 0.506 1576 T N 1.880 116.517 114.554 0.139 0.000 2.743 1576 T HA 0.334 4.681 4.350 -0.004 0.000 0.292 1576 T C -0.553 174.214 174.700 0.112 0.000 0.972 1576 T CA -0.605 61.569 62.100 0.123 0.000 0.967 1576 T CB 1.810 70.767 68.868 0.148 0.000 0.926 1576 T HN -0.072 nan 8.240 nan 0.000 0.459 1577 V N 4.775 124.733 119.914 0.073 0.000 2.406 1577 V HA 0.208 4.325 4.120 -0.004 0.000 0.272 1577 V C 0.596 176.714 176.094 0.039 0.000 1.043 1577 V CA -0.662 61.665 62.300 0.045 0.000 0.915 1577 V CB 0.826 32.657 31.823 0.012 0.000 0.988 1577 V HN 0.836 nan 8.190 nan 0.000 0.466 1578 E N 3.742 123.966 120.200 0.040 0.000 2.354 1578 E HA 0.289 4.636 4.350 -0.004 0.000 0.269 1578 E C -0.255 176.345 176.600 -0.000 0.000 1.036 1578 E CA -0.407 56.011 56.400 0.031 0.000 0.876 1578 E CB 1.279 31.011 29.700 0.054 0.000 1.009 1578 E HN 0.499 nan 8.360 nan 0.000 0.416 1579 K N 2.571 122.968 120.400 -0.005 0.000 2.235 1579 K HA 0.107 4.425 4.320 -0.004 0.000 0.266 1579 K C -1.231 175.346 176.600 -0.040 0.000 0.980 1579 K CA -0.567 55.710 56.287 -0.017 0.000 0.849 1579 K CB 1.003 33.494 32.500 -0.015 0.000 1.098 1579 K HN 0.303 nan 8.250 nan 0.000 0.445 1580 D N 3.499 123.880 120.400 -0.033 0.000 2.454 1580 D HA 0.043 4.681 4.640 -0.004 0.000 0.225 1580 D C 0.609 176.863 176.300 -0.077 0.000 1.081 1580 D CA -0.292 53.694 54.000 -0.023 0.000 0.864 1580 D CB 1.424 42.250 40.800 0.044 0.000 1.040 1580 D HN 0.703 nan 8.370 nan 0.000 0.517 1581 T N 0.412 114.832 114.554 -0.223 0.000 3.160 1581 T HA -0.026 4.322 4.350 -0.004 0.000 0.257 1581 T C 1.116 175.736 174.700 -0.135 0.000 1.147 1581 T CA 0.157 61.959 62.100 -0.496 0.000 1.064 1581 T CB 0.001 68.433 68.868 -0.727 0.000 0.949 1581 T HN 0.212 nan 8.240 nan 0.000 0.526 1582 N N 1.123 119.801 118.700 -0.036 0.000 2.512 1582 N HA 0.038 4.775 4.740 -0.004 0.000 0.183 1582 N C -0.193 175.274 175.510 -0.071 0.000 1.073 1582 N CA 0.381 53.433 53.050 0.003 0.000 0.911 1582 N CB 0.376 38.924 38.487 0.102 0.000 0.964 1582 N HN 0.344 nan 8.380 nan 0.000 0.447 1583 V N 2.396 122.257 119.914 -0.088 0.000 2.357 1583 V HA 0.280 4.397 4.120 -0.004 0.000 0.281 1583 V C 0.206 176.293 176.094 -0.011 0.000 1.015 1583 V CA -0.649 61.511 62.300 -0.233 0.000 0.827 1583 V CB 1.810 33.238 31.823 -0.658 0.000 1.018 1583 V HN 0.028 nan 8.190 nan 0.000 0.432 1584 L N 3.552 124.768 121.223 -0.012 0.000 2.483 1584 L HA 0.331 4.668 4.340 -0.004 0.000 0.276 1584 L C 0.598 177.420 176.870 -0.080 0.000 1.213 1584 L CA 0.555 55.331 54.840 -0.107 0.000 0.843 1584 L CB 0.404 42.384 42.059 -0.132 0.000 1.107 1584 L HN 0.560 nan 8.230 nan 0.000 0.487 1585 E N 4.638 124.763 120.200 -0.124 0.000 2.502 1585 E HA 0.222 4.570 4.350 -0.004 0.000 0.261 1585 E C -2.309 174.259 176.600 -0.052 0.000 0.974 1585 E CA -1.716 54.660 56.400 -0.040 0.000 0.795 1585 E CB 1.613 31.315 29.700 0.004 0.000 1.385 1585 E HN 0.222 nan 8.360 nan 0.000 0.400 1586 P HA 0.035 nan 4.420 nan 0.000 0.255 1586 P C -0.376 176.985 177.300 0.102 0.000 1.357 1586 P CA -0.230 62.867 63.100 -0.006 0.000 0.839 1586 P CB -0.520 31.169 31.700 -0.019 0.000 1.356 1587 Y N -1.733 118.523 120.300 -0.073 0.000 3.101 1587 Y HA -0.197 4.351 4.550 -0.004 0.000 0.165 1587 Y C -0.994 174.868 175.900 -0.064 0.000 1.901 1587 Y CA -0.478 57.582 58.100 -0.066 0.000 1.173 1587 Y CB -1.894 36.540 38.460 -0.043 0.000 1.568 1587 Y HN 0.341 nan 8.280 nan 0.000 0.405 1588 C N 3.454 122.632 119.300 -0.205 0.000 3.170 1588 C HA 0.542 5.000 4.460 -0.004 0.000 0.319 1588 C C 0.028 174.770 174.990 -0.414 0.000 1.260 1588 C CA -0.655 58.204 59.018 -0.266 0.000 1.374 1588 C CB 1.491 29.160 27.740 -0.118 0.000 1.739 1588 C HN 0.677 nan 8.230 nan 0.000 0.479 1589 Q N 1.794 121.139 119.800 -0.759 0.000 2.428 1589 Q HA 0.348 4.686 4.340 -0.004 0.000 0.276 1589 Q C -1.026 174.688 176.000 -0.477 0.000 1.059 1589 Q CA 0.681 55.990 55.803 -0.823 0.000 0.923 1589 Q CB 0.756 28.531 28.738 -1.604 0.000 1.283 1589 Q HN 0.720 nan 8.270 nan 0.000 0.447 1590 L N -0.573 120.430 121.223 -0.366 0.000 2.327 1590 L HA 0.745 5.083 4.340 -0.004 0.000 0.258 1590 L C -0.683 175.987 176.870 -0.332 0.000 1.024 1590 L CA -0.820 53.808 54.840 -0.355 0.000 0.825 1590 L CB 1.848 43.732 42.059 -0.292 0.000 1.386 1590 L HN 0.414 nan 8.230 nan 0.000 0.417 1591 S N 0.255 115.695 115.700 -0.434 0.000 2.500 1591 S HA 0.902 5.369 4.470 -0.004 0.000 0.301 1591 S C -1.395 172.981 174.600 -0.374 0.000 1.092 1591 S CA -0.448 57.576 58.200 -0.293 0.000 1.030 1591 S CB 1.701 64.801 63.200 -0.167 0.000 1.031 1591 S HN 1.051 nan 8.310 nan 0.000 0.483 1592 V N 6.453 126.235 119.914 -0.220 0.000 2.851 1592 V HA 0.760 4.878 4.120 -0.004 0.000 0.307 1592 V C -1.290 174.743 176.094 -0.102 0.000 1.129 1592 V CA -0.769 61.411 62.300 -0.200 0.000 0.932 1592 V CB 1.710 33.245 31.823 -0.479 0.000 1.024 1592 V HN 0.935 nan 8.190 nan 0.000 0.426 1593 I N 2.274 122.834 120.570 -0.016 0.000 2.865 1593 I HA 0.653 4.821 4.170 -0.004 0.000 0.302 1593 I C -0.445 175.730 176.117 0.097 0.000 1.140 1593 I CA -0.988 60.345 61.300 0.055 0.000 1.021 1593 I CB 2.375 40.432 38.000 0.096 0.000 1.233 1593 I HN 0.545 nan 8.210 nan 0.000 0.427 1594 N N 2.275 121.043 118.700 0.112 0.000 2.492 1594 N HA 0.199 4.937 4.740 -0.004 0.000 0.260 1594 N C -1.395 174.232 175.510 0.194 0.000 1.215 1594 N CA 0.058 53.193 53.050 0.142 0.000 0.923 1594 N CB 0.404 38.954 38.487 0.105 0.000 1.092 1594 N HN 0.540 nan 8.380 nan 0.000 0.448 1595 Y N 0.691 121.030 120.300 0.066 0.000 2.361 1595 Y HA 0.236 4.784 4.550 -0.004 0.000 0.332 1595 Y C 1.223 177.150 175.900 0.045 0.000 1.101 1595 Y CA -0.972 57.162 58.100 0.057 0.000 1.137 1595 Y CB 1.155 39.656 38.460 0.069 0.000 1.207 1595 Y HN 0.661 nan 8.280 nan 0.000 0.463 1596 S N 2.323 117.662 115.700 -0.601 0.000 2.527 1596 S HA 0.133 4.601 4.470 -0.004 0.000 0.222 1596 S C 0.047 174.445 174.600 -0.337 0.000 0.985 1596 S CA 0.123 58.105 58.200 -0.364 0.000 0.921 1596 S CB -0.021 62.990 63.200 -0.315 0.000 0.772 1596 S HN 0.625 nan 8.310 nan 0.000 0.529 1597 Q N 1.314 120.814 119.800 -0.499 0.000 2.348 1597 Q HA 0.486 4.824 4.340 -0.004 0.000 0.271 1597 Q C -0.653 175.403 176.000 0.094 0.000 1.067 1597 Q CA -0.737 54.979 55.803 -0.145 0.000 0.839 1597 Q CB 1.297 29.974 28.738 -0.102 0.000 1.354 1597 Q HN 0.186 nan 8.270 nan 0.000 0.447 1598 K N 0.709 121.162 120.400 0.088 0.000 2.319 1598 K HA 0.329 4.646 4.320 -0.004 0.000 0.265 1598 K C -0.353 176.344 176.600 0.162 0.000 1.000 1598 K CA -0.199 56.158 56.287 0.116 0.000 0.943 1598 K CB 0.526 33.070 32.500 0.073 0.000 0.950 1598 K HN 0.299 nan 8.250 nan 0.000 0.485 1599 V N 2.621 122.628 119.914 0.156 0.000 2.531 1599 V HA 0.055 4.172 4.120 -0.004 0.000 0.301 1599 V C -0.459 175.713 176.094 0.130 0.000 1.034 1599 V CA -0.730 61.656 62.300 0.143 0.000 0.865 1599 V CB 1.498 33.411 31.823 0.151 0.000 0.995 1599 V HN 0.796 nan 8.190 nan 0.000 0.424 1600 D N 3.882 124.353 120.400 0.117 0.000 2.811 1600 D HA -0.202 4.435 4.640 -0.004 0.000 0.231 1600 D C 1.337 177.681 176.300 0.074 0.000 1.157 1600 D CA 1.863 55.925 54.000 0.104 0.000 0.716 1600 D CB -1.147 39.735 40.800 0.137 0.000 1.077 1600 D HN 1.508 nan 8.370 nan 0.000 0.428 1601 G N -1.010 107.831 108.800 0.068 0.000 2.162 1601 G HA2 -0.366 3.592 3.960 -0.004 0.000 0.260 1601 G HA3 -0.366 3.592 3.960 -0.004 0.000 0.260 1601 G C 0.269 175.199 174.900 0.051 0.000 0.976 1601 G CA 0.822 45.953 45.100 0.052 0.000 0.655 1601 G HN 0.524 nan 8.290 nan 0.000 0.533 1602 K N 0.318 120.756 120.400 0.064 0.000 2.328 1602 K HA 0.455 4.772 4.320 -0.004 0.000 0.246 1602 K C -0.758 175.885 176.600 0.071 0.000 0.955 1602 K CA -1.105 55.215 56.287 0.055 0.000 0.817 1602 K CB 1.353 33.879 32.500 0.043 0.000 1.208 1602 K HN 0.051 nan 8.250 nan 0.000 0.432 1603 D N 1.010 121.442 120.400 0.053 0.000 2.399 1603 D HA 0.277 4.915 4.640 -0.004 0.000 0.241 1603 D C -0.513 175.841 176.300 0.090 0.000 1.133 1603 D CA 0.365 54.403 54.000 0.063 0.000 0.890 1603 D CB 1.299 42.111 40.800 0.021 0.000 1.201 1603 D HN 0.562 nan 8.370 nan 0.000 0.432 1604 A N 0.750 123.660 122.820 0.150 0.000 2.556 1604 A HA 0.658 4.976 4.320 -0.004 0.000 0.294 1604 A C -0.631 177.089 177.584 0.225 0.000 1.091 1604 A CA -0.718 51.429 52.037 0.183 0.000 0.704 1604 A CB 1.600 20.728 19.000 0.213 0.000 1.300 1604 A HN 0.367 nan 8.150 nan 0.000 0.406 1605 V N -0.966 119.083 119.914 0.225 0.000 2.960 1605 V HA 0.843 4.960 4.120 -0.004 0.000 0.315 1605 V C -0.813 175.419 176.094 0.230 0.000 1.087 1605 V CA -0.963 61.471 62.300 0.224 0.000 0.982 1605 V CB 1.696 33.640 31.823 0.202 0.000 1.039 1605 V HN 0.677 nan 8.190 nan 0.000 0.437 1606 I N 2.890 123.581 120.570 0.202 0.000 2.441 1606 I HA 0.594 4.762 4.170 -0.004 0.000 0.295 1606 I C -0.708 175.547 176.117 0.229 0.000 0.994 1606 I CA -0.370 61.048 61.300 0.195 0.000 1.144 1606 I CB 1.382 39.439 38.000 0.096 0.000 1.314 1606 I HN 0.863 nan 8.210 nan 0.000 0.445 1607 F N 4.331 124.330 119.950 0.083 0.000 2.565 1607 F HA 0.636 5.160 4.527 -0.004 0.000 0.313 1607 F C -0.467 175.312 175.800 -0.036 0.000 1.091 1607 F CA -0.349 57.642 58.000 -0.016 0.000 0.915 1607 F CB 1.929 40.884 39.000 -0.074 0.000 1.208 1607 F HN 0.446 nan 8.300 nan 0.000 0.453 1608 S N 5.603 120.866 115.700 -0.728 0.000 2.571 1608 S HA 0.763 5.230 4.470 -0.004 0.000 0.284 1608 S C -1.632 172.596 174.600 -0.619 0.000 1.128 1608 S CA -0.437 57.507 58.200 -0.427 0.000 0.970 1608 S CB 1.208 64.327 63.200 -0.134 0.000 1.039 1608 S HN 1.078 nan 8.310 nan 0.000 0.485 1609 N N 2.502 121.059 118.700 -0.239 0.000 3.356 1609 N HA 0.449 5.187 4.740 -0.004 0.000 0.246 1609 N C -3.675 171.853 175.510 0.030 0.000 1.480 1609 N CA -1.279 51.733 53.050 -0.064 0.000 0.877 1609 N CB 0.696 39.090 38.487 -0.154 0.000 1.431 1609 N HN 0.328 nan 8.380 nan 0.000 0.500 1610 P HA 0.220 nan 4.420 nan 0.000 0.287 1610 P C -0.682 176.589 177.300 -0.048 0.000 1.307 1610 P CA -0.083 63.019 63.100 0.002 0.000 0.777 1610 P CB -0.097 31.632 31.700 0.048 0.000 0.883 1611 N N 3.022 121.664 118.700 -0.096 0.000 2.968 1611 N HA 0.426 5.163 4.740 -0.004 0.000 0.271 1611 N C -0.917 174.550 175.510 -0.072 0.000 1.174 1611 N CA -0.110 52.895 53.050 -0.074 0.000 1.096 1611 N CB -0.662 37.774 38.487 -0.085 0.000 1.403 1611 N HN 0.412 nan 8.380 nan 0.000 0.522 1612 A N 1.821 124.600 122.820 -0.068 0.000 2.511 1612 A HA 0.434 4.752 4.320 -0.004 0.000 0.293 1612 A C 0.123 177.661 177.584 -0.075 0.000 1.098 1612 A CA -0.722 51.277 52.037 -0.064 0.000 0.643 1612 A CB 0.764 19.732 19.000 -0.053 0.000 1.302 1612 A HN 0.411 nan 8.150 nan 0.000 0.446 1613 R N 0.123 120.583 120.500 -0.068 0.000 2.320 1613 R HA 0.189 4.526 4.340 -0.004 0.000 0.211 1613 R C 0.321 176.599 176.300 -0.037 0.000 0.931 1613 R CA 1.001 57.059 56.100 -0.070 0.000 1.071 1613 R CB -0.101 30.157 30.300 -0.069 0.000 1.025 1613 R HN 0.771 nan 8.270 nan 0.000 0.495 1614 S N -0.789 114.893 115.700 -0.030 0.000 2.720 1614 S HA 0.391 4.859 4.470 -0.004 0.000 0.287 1614 S C -0.421 174.158 174.600 -0.035 0.000 1.168 1614 S CA -1.130 57.062 58.200 -0.013 0.000 0.832 1614 S CB 1.643 64.845 63.200 0.003 0.000 1.166 1614 S HN 0.033 nan 8.310 nan 0.000 0.493 1615 R N 1.632 122.098 120.500 -0.057 0.000 3.268 1615 R HA 0.471 4.809 4.340 -0.004 0.000 0.217 1615 R C -0.203 175.972 176.300 -0.208 0.000 1.568 1615 R CA 0.051 56.056 56.100 -0.159 0.000 1.322 1615 R CB -0.298 29.841 30.300 -0.268 0.000 1.280 1615 R HN 0.793 nan 8.270 nan 0.000 0.667 1616 S N 0.012 115.658 115.700 -0.090 0.000 2.643 1616 S HA 0.266 4.733 4.470 -0.004 0.000 0.270 1616 S C -0.370 174.182 174.600 -0.080 0.000 1.166 1616 S CA -1.105 57.063 58.200 -0.053 0.000 0.815 1616 S CB 1.227 64.416 63.200 -0.019 0.000 1.139 1616 S HN 0.477 nan 8.310 nan 0.000 0.472 1617 N N -0.135 118.505 118.700 -0.099 0.000 2.708 1617 N HA -0.101 4.637 4.740 -0.004 0.000 0.255 1617 N C 0.074 175.391 175.510 -0.322 0.000 1.046 1617 N CA 0.999 53.955 53.050 -0.157 0.000 0.715 1617 N CB -1.294 37.129 38.487 -0.106 0.000 0.895 1617 N HN 1.309 nan 8.380 nan 0.000 0.545 1618 G N 0.910 109.356 108.800 -0.590 0.000 2.313 1618 G HA2 0.411 4.369 3.960 -0.004 0.000 0.250 1618 G HA3 0.411 4.369 3.960 -0.004 0.000 0.250 1618 G C -0.260 174.131 174.900 -0.849 0.000 1.281 1618 G CA 0.489 44.730 45.100 -1.433 0.000 0.917 1618 G HN 0.327 nan 8.290 nan 0.000 0.501 1619 T N 1.467 115.661 114.554 -0.599 0.000 2.921 1619 T HA 0.425 4.773 4.350 -0.004 0.000 0.297 1619 T C -0.352 174.256 174.700 -0.154 0.000 1.013 1619 T CA -0.376 61.559 62.100 -0.275 0.000 0.990 1619 T CB 1.943 70.713 68.868 -0.163 0.000 1.023 1619 T HN 0.338 nan 8.240 nan 0.000 0.447 1620 V N 4.273 124.142 119.914 -0.075 0.000 2.435 1620 V HA 0.590 4.708 4.120 -0.004 0.000 0.290 1620 V C 0.032 176.180 176.094 0.090 0.000 1.030 1620 V CA -0.825 61.486 62.300 0.018 0.000 0.881 1620 V CB 1.581 33.415 31.823 0.018 0.000 0.983 1620 V HN 0.717 nan 8.190 nan 0.000 0.445 1621 R N 4.219 124.832 120.500 0.189 0.000 2.803 1621 R HA 0.714 5.052 4.340 -0.004 0.000 0.276 1621 R C -1.276 175.237 176.300 0.355 0.000 0.978 1621 R CA -0.810 55.453 56.100 0.272 0.000 0.939 1621 R CB 2.480 32.932 30.300 0.254 0.000 1.179 1621 R HN 0.558 nan 8.270 nan 0.000 0.472 1622 I N 1.097 121.894 120.570 0.379 0.000 2.339 1622 I HA 0.333 4.500 4.170 -0.004 0.000 0.290 1622 I C 0.397 176.733 176.117 0.366 0.000 0.994 1622 I CA -0.486 61.019 61.300 0.342 0.000 1.191 1622 I CB 1.964 40.138 38.000 0.289 0.000 1.343 1622 I HN 0.685 nan 8.210 nan 0.000 0.458 1623 G N 7.471 116.406 108.800 0.225 0.000 2.370 1623 G HA2 0.627 4.585 3.960 -0.004 0.000 0.317 1623 G HA3 0.627 4.585 3.960 -0.004 0.000 0.317 1623 G C -0.568 174.288 174.900 -0.075 0.000 1.162 1623 G CA -0.515 44.400 45.100 -0.308 0.000 0.922 1623 G HN 0.428 nan 8.290 nan 0.000 0.454 1624 L N 2.653 123.816 121.223 -0.099 0.000 2.312 1624 L HA 0.430 4.768 4.340 -0.004 0.000 0.281 1624 L C 0.131 176.946 176.870 -0.091 0.000 1.070 1624 L CA -0.631 54.191 54.840 -0.030 0.000 0.805 1624 L CB 1.565 43.612 42.059 -0.020 0.000 1.174 1624 L HN 0.316 nan 8.230 nan 0.000 0.434 1625 I N 3.593 124.116 120.570 -0.079 0.000 2.365 1625 I HA 0.229 4.397 4.170 -0.004 0.000 0.291 1625 I C -0.123 175.943 176.117 -0.085 0.000 1.004 1625 I CA -0.162 61.024 61.300 -0.190 0.000 1.311 1625 I CB 0.819 38.699 38.000 -0.200 0.000 1.401 1625 I HN 0.596 nan 8.210 nan 0.000 0.491 1626 N N 5.914 124.566 118.700 -0.081 0.000 2.296 1626 N HA 0.188 4.926 4.740 -0.004 0.000 0.294 1626 N C -1.106 174.429 175.510 0.041 0.000 1.033 1626 N CA -0.644 52.400 53.050 -0.010 0.000 0.839 1626 N CB 2.475 40.931 38.487 -0.051 0.000 1.395 1626 N HN 0.581 nan 8.380 nan 0.000 0.479 1627 Q N 1.479 121.311 119.800 0.054 0.000 2.296 1627 Q HA 0.273 4.610 4.340 -0.004 0.000 0.262 1627 Q C -0.419 175.506 176.000 -0.125 0.000 0.981 1627 Q CA -0.367 55.366 55.803 -0.117 0.000 0.905 1627 Q CB 0.581 29.201 28.738 -0.196 0.000 1.186 1627 Q HN 0.479 nan 8.270 nan 0.000 0.399 1628 V N 2.335 122.150 119.914 -0.164 0.000 2.271 1628 V HA 0.761 4.879 4.120 -0.004 0.000 0.259 1628 V C 0.323 176.316 176.094 -0.169 0.000 1.030 1628 V CA 0.208 62.426 62.300 -0.136 0.000 0.957 1628 V CB -0.181 31.573 31.823 -0.115 0.000 1.186 1628 V HN 1.034 nan 8.190 nan 0.000 0.471 1629 G N 3.056 111.760 108.800 -0.160 0.000 2.568 1629 G HA2 0.126 4.084 3.960 -0.004 0.000 0.222 1629 G HA3 0.126 4.084 3.960 -0.004 0.000 0.222 1629 G C -0.092 174.693 174.900 -0.192 0.000 1.321 1629 G CA 0.202 45.209 45.100 -0.155 0.000 0.893 1629 G HN 2.128 nan 8.290 nan 0.000 0.569 1630 T N -2.775 111.676 114.554 -0.172 0.000 2.896 1630 T HA 0.695 5.042 4.350 -0.004 0.000 0.297 1630 T C -0.238 174.369 174.700 -0.155 0.000 1.108 1630 T CA -0.664 61.354 62.100 -0.136 0.000 1.004 1630 T CB 1.918 70.743 68.868 -0.072 0.000 1.159 1630 T HN 0.876 nan 8.240 nan 0.000 0.499 1631 Y N 0.731 120.989 120.300 -0.071 0.000 2.260 1631 Y HA 0.288 4.836 4.550 -0.004 0.000 0.339 1631 Y C 2.195 178.049 175.900 -0.078 0.000 1.317 1631 Y CA -0.315 57.756 58.100 -0.049 0.000 1.514 1631 Y CB 0.392 38.820 38.460 -0.054 0.000 1.382 1631 Y HN 0.814 nan 8.280 nan 0.000 0.581 1632 E N 0.398 120.679 120.200 0.135 0.000 2.160 1632 E HA -0.230 4.118 4.350 -0.004 0.000 0.195 1632 E C 1.277 177.874 176.600 -0.005 0.000 0.991 1632 E CA 1.334 57.760 56.400 0.045 0.000 0.810 1632 E CB -0.189 29.542 29.700 0.052 0.000 0.742 1632 E HN 0.597 nan 8.360 nan 0.000 0.466 1633 N N -0.185 118.486 118.700 -0.048 0.000 2.515 1633 N HA -0.018 4.719 4.740 -0.004 0.000 0.191 1633 N C 1.107 176.533 175.510 -0.140 0.000 1.182 1633 N CA 0.991 53.960 53.050 -0.134 0.000 0.879 1633 N CB 0.370 38.693 38.487 -0.273 0.000 0.984 1633 N HN 0.201 nan 8.380 nan 0.000 0.453 1634 G N -1.135 107.615 108.800 -0.083 0.000 2.199 1634 G HA2 -0.276 3.681 3.960 -0.004 0.000 0.254 1634 G HA3 -0.276 3.681 3.960 -0.004 0.000 0.254 1634 G C -0.233 174.621 174.900 -0.076 0.000 0.982 1634 G CA 0.154 45.211 45.100 -0.071 0.000 0.632 1634 G HN 0.406 nan 8.290 nan 0.000 0.529 1635 E N 1.617 121.742 120.200 -0.126 0.000 2.373 1635 E HA 0.377 4.724 4.350 -0.004 0.000 0.263 1635 E C -2.132 174.511 176.600 0.073 0.000 1.073 1635 E CA -1.871 54.477 56.400 -0.087 0.000 0.894 1635 E CB 0.609 30.101 29.700 -0.347 0.000 1.008 1635 E HN 0.206 nan 8.360 nan 0.000 0.420 1636 P HA 0.041 nan 4.420 nan 0.000 0.268 1636 P C -0.458 176.771 177.300 -0.117 0.000 1.205 1636 P CA 0.200 63.185 63.100 -0.192 0.000 0.771 1636 P CB 0.445 31.881 31.700 -0.441 0.000 0.858 1637 K N 2.874 123.093 120.400 -0.302 0.000 2.265 1637 K HA 0.341 4.659 4.320 -0.004 0.000 0.267 1637 K C -1.175 175.227 176.600 -0.330 0.000 0.994 1637 K CA -0.530 55.588 56.287 -0.282 0.000 0.860 1637 K CB 0.339 32.516 32.500 -0.539 0.000 1.099 1637 K HN 0.314 nan 8.250 nan 0.000 0.448 1638 Y N 1.869 122.166 120.300 -0.006 0.000 2.377 1638 Y HA 0.341 4.889 4.550 -0.004 0.000 0.339 1638 Y C -0.026 175.740 175.900 -0.223 0.000 1.011 1638 Y CA -0.611 57.411 58.100 -0.130 0.000 1.093 1638 Y CB 1.930 40.302 38.460 -0.147 0.000 1.201 1638 Y HN 0.547 nan 8.280 nan 0.000 0.455 1639 E N 1.805 121.923 120.200 -0.136 0.000 2.312 1639 E HA 0.484 4.832 4.350 -0.004 0.000 0.267 1639 E C -1.651 174.700 176.600 -0.415 0.000 0.894 1639 E CA -0.942 55.332 56.400 -0.210 0.000 0.773 1639 E CB 2.009 31.654 29.700 -0.091 0.000 1.241 1639 E HN 0.371 nan 8.360 nan 0.000 0.432 1640 F N 1.139 120.996 119.950 -0.155 0.000 2.404 1640 F HA 0.221 4.746 4.527 -0.004 0.000 0.339 1640 F C 0.337 175.829 175.800 -0.513 0.000 1.105 1640 F CA -0.597 57.140 58.000 -0.439 0.000 1.087 1640 F CB 1.016 39.586 39.000 -0.718 0.000 1.143 1640 F HN 0.253 nan 8.300 nan 0.000 0.491 1641 D N 3.196 123.387 120.400 -0.347 0.000 2.441 1641 D HA 0.166 4.804 4.640 -0.004 0.000 0.231 1641 D C -1.262 174.834 176.300 -0.340 0.000 1.073 1641 D CA -0.619 53.220 54.000 -0.269 0.000 0.850 1641 D CB 0.371 41.080 40.800 -0.152 0.000 1.062 1641 D HN 0.368 nan 8.370 nan 0.000 0.524 1642 W N 4.836 126.153 121.300 0.027 0.000 1.836 1642 W HA 0.243 4.901 4.660 -0.004 0.000 0.449 1642 W C 1.728 178.203 176.519 -0.072 0.000 0.787 1642 W CA -0.674 56.667 57.345 -0.007 0.000 1.729 1642 W CB 0.562 29.997 29.460 -0.041 0.000 1.802 1642 W HN 0.430 nan 8.180 nan 0.000 0.257 1643 K N 0.972 121.363 120.400 -0.015 0.000 2.167 1643 K HA -0.058 4.260 4.320 -0.004 0.000 0.203 1643 K C -0.370 175.948 176.600 -0.469 0.000 1.052 1643 K CA 0.930 57.023 56.287 -0.324 0.000 0.956 1643 K CB 0.156 32.327 32.500 -0.549 0.000 0.735 1643 K HN 0.195 nan 8.250 nan 0.000 0.451 1644 Y N 0.388 120.755 120.300 0.111 0.000 2.391 1644 Y HA 0.395 4.942 4.550 -0.004 0.000 0.341 1644 Y C -0.835 175.116 175.900 0.086 0.000 0.965 1644 Y CA -1.288 56.853 58.100 0.067 0.000 1.067 1644 Y CB 1.754 40.236 38.460 0.037 0.000 1.199 1644 Y HN -0.079 nan 8.280 nan 0.000 0.450 1645 N N 3.049 121.856 118.700 0.178 0.000 2.533 1645 N HA 0.237 4.975 4.740 -0.004 0.000 0.289 1645 N C -1.578 173.948 175.510 0.026 0.000 1.103 1645 N CA -0.747 52.359 53.050 0.093 0.000 0.877 1645 N CB 2.476 40.996 38.487 0.055 0.000 1.419 1645 N HN 0.406 nan 8.380 nan 0.000 0.517 1646 K N 1.946 122.344 120.400 -0.005 0.000 2.413 1646 K HA 0.368 4.686 4.320 -0.004 0.000 0.257 1646 K C -0.970 175.582 176.600 -0.081 0.000 0.946 1646 K CA -0.716 55.527 56.287 -0.073 0.000 0.823 1646 K CB 1.100 33.528 32.500 -0.120 0.000 1.109 1646 K HN 0.424 nan 8.250 nan 0.000 0.427 1647 L N 5.988 127.154 121.223 -0.095 0.000 2.477 1647 L HA 0.132 4.469 4.340 -0.004 0.000 0.272 1647 L C 0.432 177.262 176.870 -0.067 0.000 1.157 1647 L CA 0.612 55.386 54.840 -0.110 0.000 0.889 1647 L CB 0.830 42.836 42.059 -0.089 0.000 1.158 1647 L HN 0.645 nan 8.230 nan 0.000 0.473 1648 V N 1.098 120.927 119.914 -0.141 0.000 3.570 1648 V HA 0.455 4.572 4.120 -0.004 0.000 0.257 1648 V C 0.392 176.382 176.094 -0.174 0.000 1.272 1648 V CA 0.219 62.462 62.300 -0.095 0.000 1.079 1648 V CB -0.181 31.564 31.823 -0.130 0.000 0.829 1648 V HN 0.766 nan 8.190 nan 0.000 0.454 1649 K N 2.143 122.383 120.400 -0.268 0.000 2.705 1649 K HA 0.604 4.922 4.320 -0.004 0.000 0.238 1649 K C -3.323 173.213 176.600 -0.107 0.000 0.996 1649 K CA -2.209 53.975 56.287 -0.172 0.000 1.007 1649 K CB 1.611 33.977 32.500 -0.223 0.000 1.206 1649 K HN 0.166 nan 8.250 nan 0.000 0.488 1650 P HA 0.306 nan 4.420 nan 0.000 0.269 1650 P C 0.304 177.633 177.300 0.047 0.000 1.209 1650 P CA 0.637 63.733 63.100 -0.006 0.000 0.776 1650 P CB 0.972 32.680 31.700 0.014 0.000 0.876 1651 G N 1.423 110.254 108.800 0.050 0.000 2.512 1651 G HA2 -0.262 3.696 3.960 -0.004 0.000 0.240 1651 G HA3 -0.262 3.696 3.960 -0.004 0.000 0.240 1651 G C -0.837 174.153 174.900 0.150 0.000 1.246 1651 G CA -0.461 44.703 45.100 0.106 0.000 0.919 1651 G HN 0.539 nan 8.290 nan 0.000 0.577 1652 Y N 0.698 121.060 120.300 0.104 0.000 2.610 1652 Y HA 0.485 5.033 4.550 -0.004 0.000 0.332 1652 Y C 0.015 176.053 175.900 0.229 0.000 1.201 1652 Y CA 0.975 59.153 58.100 0.130 0.000 1.465 1652 Y CB 0.300 38.819 38.460 0.098 0.000 1.283 1652 Y HN 0.798 nan 8.280 nan 0.000 0.563 1653 Y N 5.398 125.371 120.300 -0.545 0.000 2.313 1653 Y HA 0.559 5.106 4.550 -0.004 0.000 0.320 1653 Y C -0.768 174.863 175.900 -0.448 0.000 1.171 1653 Y CA -0.313 57.606 58.100 -0.302 0.000 1.093 1653 Y CB 0.713 39.062 38.460 -0.186 0.000 1.224 1653 Y HN 0.750 nan 8.280 nan 0.000 0.421 1654 A N 3.624 126.176 122.820 -0.447 0.000 3.044 1654 A HA 0.504 4.822 4.320 -0.004 0.000 0.200 1654 A C -1.222 176.305 177.584 -0.094 0.000 1.557 1654 A CA -0.083 51.833 52.037 -0.200 0.000 1.647 1654 A CB -0.123 18.851 19.000 -0.044 0.000 1.580 1654 A HN 0.538 nan 8.150 nan 0.000 0.503 1655 Y N 1.151 121.322 120.300 -0.216 0.000 2.357 1655 Y HA 0.474 5.021 4.550 -0.004 0.000 0.340 1655 Y C 1.052 176.813 175.900 -0.232 0.000 1.260 1655 Y CA -0.237 57.749 58.100 -0.189 0.000 1.425 1655 Y CB 0.657 39.050 38.460 -0.112 0.000 1.326 1655 Y HN 0.672 nan 8.280 nan 0.000 0.580 1656 S N 0.074 115.750 115.700 -0.041 0.000 2.596 1656 S HA 0.698 5.166 4.470 -0.004 0.000 0.270 1656 S C -1.554 173.048 174.600 0.004 0.000 1.155 1656 S CA -0.934 57.241 58.200 -0.042 0.000 0.827 1656 S CB 1.703 64.845 63.200 -0.097 0.000 1.130 1656 S HN 0.822 nan 8.310 nan 0.000 0.467 1657 C N 1.832 121.169 119.300 0.062 0.000 2.811 1657 C HA 0.662 5.119 4.460 -0.004 0.000 0.352 1657 C C -1.020 174.040 174.990 0.117 0.000 1.098 1657 C CA -0.512 58.552 59.018 0.077 0.000 1.295 1657 C CB 0.006 27.812 27.740 0.111 0.000 1.758 1657 C HN 0.959 nan 8.230 nan 0.000 0.488 1658 L N 3.510 124.789 121.223 0.093 0.000 2.375 1658 L HA 0.788 5.126 4.340 -0.004 0.000 0.268 1658 L C 0.510 177.466 176.870 0.143 0.000 1.058 1658 L CA 0.134 55.041 54.840 0.111 0.000 0.803 1658 L CB 1.894 43.993 42.059 0.067 0.000 1.212 1658 L HN 0.712 nan 8.230 nan 0.000 0.451 1659 T N 0.452 115.098 114.554 0.152 0.000 2.923 1659 T HA 0.194 4.542 4.350 -0.004 0.000 0.311 1659 T C -1.095 173.680 174.700 0.125 0.000 1.183 1659 T CA -0.612 61.563 62.100 0.125 0.000 1.020 1659 T CB 1.603 70.543 68.868 0.119 0.000 1.165 1659 T HN 0.656 nan 8.240 nan 0.000 0.482 1660 E N 3.272 123.535 120.200 0.104 0.000 2.354 1660 E HA 0.465 4.812 4.350 -0.004 0.000 0.269 1660 E C -0.573 176.070 176.600 0.072 0.000 1.036 1660 E CA -0.425 56.053 56.400 0.132 0.000 0.876 1660 E CB 0.584 30.365 29.700 0.135 0.000 1.009 1660 E HN 0.482 nan 8.360 nan 0.000 0.416 1661 L N 2.685 123.963 121.223 0.093 0.000 2.387 1661 L HA 0.210 4.547 4.340 -0.004 0.000 0.266 1661 L C 1.498 178.385 176.870 0.027 0.000 1.059 1661 L CA -0.630 54.246 54.840 0.060 0.000 0.801 1661 L CB 1.533 43.645 42.059 0.088 0.000 1.223 1661 L HN 0.625 nan 8.230 nan 0.000 0.456 1662 S N 0.721 116.422 115.700 0.003 0.000 2.400 1662 S HA -0.154 4.314 4.470 -0.004 0.000 0.232 1662 S C 1.339 175.940 174.600 0.002 0.000 1.025 1662 S CA 1.733 59.926 58.200 -0.011 0.000 0.993 1662 S CB -0.396 62.791 63.200 -0.021 0.000 0.808 1662 S HN 0.832 nan 8.310 nan 0.000 0.478 1663 N N 0.663 119.374 118.700 0.019 0.000 2.449 1663 N HA 0.158 4.895 4.740 -0.004 0.000 0.191 1663 N C 0.984 176.523 175.510 0.047 0.000 1.161 1663 N CA 0.909 53.975 53.050 0.026 0.000 0.863 1663 N CB -0.385 38.118 38.487 0.026 0.000 0.980 1663 N HN 0.381 nan 8.380 nan 0.000 0.458 1664 G N -0.902 107.936 108.800 0.063 0.000 2.195 1664 G HA2 -0.300 3.658 3.960 -0.004 0.000 0.246 1664 G HA3 -0.300 3.658 3.960 -0.004 0.000 0.246 1664 G C 0.035 175.064 174.900 0.214 0.000 0.984 1664 G CA 0.123 45.294 45.100 0.119 0.000 0.633 1664 G HN 0.492 nan 8.290 nan 0.000 0.525 1665 N N 0.022 118.807 118.700 0.142 0.000 2.418 1665 N HA 0.661 5.399 4.740 -0.004 0.000 0.283 1665 N C 0.222 175.816 175.510 0.140 0.000 1.267 1665 N CA -0.224 52.898 53.050 0.121 0.000 0.975 1665 N CB 0.387 38.917 38.487 0.071 0.000 1.167 1665 N HN 0.113 nan 8.380 nan 0.000 0.581 1666 I N 0.053 120.677 120.570 0.090 0.000 2.436 1666 I HA 0.384 4.551 4.170 -0.004 0.000 0.289 1666 I C 0.738 176.898 176.117 0.071 0.000 1.010 1666 I CA -0.631 60.724 61.300 0.091 0.000 1.098 1666 I CB 0.715 38.744 38.000 0.047 0.000 1.266 1666 I HN 0.367 nan 8.210 nan 0.000 0.434 1667 G N 5.510 114.386 108.800 0.126 0.000 2.412 1667 G HA2 0.651 4.608 3.960 -0.004 0.000 0.318 1667 G HA3 0.651 4.608 3.960 -0.004 0.000 0.318 1667 G C -1.496 173.477 174.900 0.122 0.000 1.146 1667 G CA -0.342 44.840 45.100 0.136 0.000 0.882 1667 G HN 0.437 nan 8.290 nan 0.000 0.501 1668 L N 1.140 122.372 121.223 0.014 0.000 2.505 1668 L HA 0.668 5.006 4.340 -0.004 0.000 0.266 1668 L C -1.633 175.348 176.870 0.185 0.000 0.954 1668 L CA -0.860 54.057 54.840 0.128 0.000 0.852 1668 L CB 2.157 44.289 42.059 0.123 0.000 1.282 1668 L HN 0.472 nan 8.230 nan 0.000 0.403 1669 L N 6.254 127.624 121.223 0.246 0.000 2.305 1669 L HA 0.736 5.073 4.340 -0.004 0.000 0.284 1669 L C -1.395 175.563 176.870 0.146 0.000 1.013 1669 L CA -0.197 54.748 54.840 0.174 0.000 0.819 1669 L CB 1.222 43.386 42.059 0.174 0.000 1.227 1669 L HN 0.637 nan 8.230 nan 0.000 0.417 1670 Y N 0.951 121.245 120.300 -0.011 0.000 2.562 1670 Y HA 0.602 5.149 4.550 -0.004 0.000 0.345 1670 Y C -0.779 175.052 175.900 -0.114 0.000 1.045 1670 Y CA -1.177 56.838 58.100 -0.141 0.000 1.028 1670 Y CB 1.083 39.411 38.460 -0.219 0.000 1.297 1670 Y HN 0.579 nan 8.280 nan 0.000 0.463 1671 E N 1.630 121.818 120.200 -0.019 0.000 1.814 1671 E HA 0.215 4.563 4.350 -0.004 0.000 0.264 1671 E C 0.362 177.102 176.600 0.233 0.000 1.179 1671 E CA 0.063 56.498 56.400 0.057 0.000 0.972 1671 E CB 0.658 30.406 29.700 0.081 0.000 1.077 1671 E HN 1.007 nan 8.360 nan 0.000 0.417 1672 G N 2.661 111.624 108.800 0.272 0.000 3.042 1672 G HA2 -0.064 3.894 3.960 -0.004 0.000 0.212 1672 G HA3 -0.064 3.894 3.960 -0.004 0.000 0.212 1672 G C 0.650 175.764 174.900 0.357 0.000 1.166 1672 G CA 0.232 45.606 45.100 0.456 0.000 0.767 1672 G HN 0.470 nan 8.290 nan 0.000 0.546 1673 T N -4.092 110.569 114.554 0.179 0.000 2.901 1673 T HA 0.568 4.916 4.350 -0.004 0.000 0.293 1673 T C -2.311 172.244 174.700 -0.242 0.000 1.084 1673 T CA -1.619 60.426 62.100 -0.091 0.000 1.008 1673 T CB 2.666 71.494 68.868 -0.066 0.000 1.170 1673 T HN -0.218 nan 8.240 nan 0.000 0.509 1674 P HA 0.010 nan 4.420 nan 0.000 0.216 1674 P C 0.845 178.070 177.300 -0.126 0.000 1.153 1674 P CA 1.279 64.140 63.100 -0.399 0.000 0.848 1674 P CB 0.088 31.536 31.700 -0.420 0.000 0.787 1675 S N -4.675 110.964 115.700 -0.102 0.000 2.952 1675 S HA 0.275 4.743 4.470 -0.004 0.000 0.238 1675 S C 0.278 174.880 174.600 0.004 0.000 0.780 1675 S CA -0.488 57.684 58.200 -0.047 0.000 1.150 1675 S CB -0.309 62.853 63.200 -0.065 0.000 1.320 1675 S HN -0.122 nan 8.310 nan 0.000 0.540 1676 E N 2.027 122.237 120.200 0.017 0.000 3.076 1676 E HA 0.448 4.796 4.350 -0.004 0.000 0.279 1676 E C -0.616 176.049 176.600 0.108 0.000 0.945 1676 E CA -0.147 56.295 56.400 0.070 0.000 1.046 1676 E CB -0.367 29.351 29.700 0.030 0.000 2.828 1676 E HN 0.342 nan 8.360 nan 0.000 0.582 1677 E N 1.041 121.276 120.200 0.059 0.000 2.316 1677 E HA 0.220 4.567 4.350 -0.004 0.000 0.275 1677 E C -0.576 176.007 176.600 -0.028 0.000 1.029 1677 E CA 0.210 56.629 56.400 0.031 0.000 0.871 1677 E CB 0.468 30.167 29.700 -0.002 0.000 1.022 1677 E HN 0.124 nan 8.360 nan 0.000 0.418 1678 M N 1.915 121.476 119.600 -0.066 0.000 2.149 1678 M HA 0.329 4.807 4.480 -0.004 0.000 0.342 1678 M C -0.543 175.604 176.300 -0.255 0.000 1.068 1678 M CA -0.430 54.794 55.300 -0.126 0.000 0.991 1678 M CB 1.366 33.956 32.600 -0.016 0.000 1.596 1678 M HN 0.275 nan 8.290 nan 0.000 0.439 1679 S N 2.681 118.092 115.700 -0.482 0.000 2.525 1679 S HA 0.585 5.053 4.470 -0.004 0.000 0.290 1679 S C -1.133 173.182 174.600 -0.475 0.000 1.152 1679 S CA -0.499 57.360 58.200 -0.569 0.000 1.072 1679 S CB 1.317 63.960 63.200 -0.927 0.000 1.027 1679 S HN 0.534 nan 8.310 nan 0.000 0.500 1680 Y N 4.315 124.424 120.300 -0.318 0.000 2.364 1680 Y HA 0.710 5.258 4.550 -0.004 0.000 0.340 1680 Y C -0.650 175.253 175.900 0.005 0.000 0.975 1680 Y CA -1.084 56.933 58.100 -0.138 0.000 1.089 1680 Y CB 0.517 38.857 38.460 -0.201 0.000 1.192 1680 Y HN 0.670 nan 8.280 nan 0.000 0.454 1681 I N 2.258 122.387 120.570 -0.734 0.000 2.969 1681 I HA 0.654 4.821 4.170 -0.004 0.000 0.307 1681 I C -1.439 174.261 176.117 -0.695 0.000 1.149 1681 I CA -1.160 59.826 61.300 -0.523 0.000 1.008 1681 I CB 2.488 40.407 38.000 -0.134 0.000 1.232 1681 I HN 0.654 nan 8.210 nan 0.000 0.435 1682 E N 4.464 124.452 120.200 -0.353 0.000 2.199 1682 E HA 0.692 5.040 4.350 -0.004 0.000 0.269 1682 E C -1.608 174.906 176.600 -0.143 0.000 0.899 1682 E CA -0.856 55.440 56.400 -0.173 0.000 0.772 1682 E CB 1.951 31.637 29.700 -0.023 0.000 1.155 1682 E HN 0.703 nan 8.360 nan 0.000 0.408 1683 M N 3.015 122.559 119.600 -0.093 0.000 2.550 1683 M HA 0.337 4.815 4.480 -0.004 0.000 0.292 1683 M C -0.774 175.521 176.300 -0.009 0.000 1.221 1683 M CA -1.154 54.089 55.300 -0.094 0.000 0.873 1683 M CB 2.038 34.608 32.600 -0.050 0.000 1.727 1683 M HN 0.553 nan 8.290 nan 0.000 0.459 1684 N N 1.075 119.788 118.700 0.021 0.000 2.485 1684 N HA 0.384 5.121 4.740 -0.004 0.000 0.280 1684 N C 0.005 175.533 175.510 0.030 0.000 1.205 1684 N CA -0.704 52.367 53.050 0.034 0.000 0.959 1684 N CB 0.632 39.139 38.487 0.035 0.000 1.206 1684 N HN 0.540 nan 8.380 nan 0.000 0.545 1685 L N 0.363 121.570 121.223 -0.026 0.000 2.131 1685 L HA 0.003 4.341 4.340 -0.004 0.000 0.210 1685 L C 2.112 178.920 176.870 -0.103 0.000 1.092 1685 L CA 1.622 56.400 54.840 -0.104 0.000 0.759 1685 L CB -0.809 41.159 42.059 -0.152 0.000 0.903 1685 L HN 0.652 nan 8.230 nan 0.000 0.435 1686 K N -1.739 118.633 120.400 -0.046 0.000 2.063 1686 K HA -0.254 4.064 4.320 -0.004 0.000 0.208 1686 K C 2.174 178.761 176.600 -0.022 0.000 1.048 1686 K CA 1.738 57.997 56.287 -0.048 0.000 0.928 1686 K CB -0.427 32.071 32.500 -0.003 0.000 0.713 1686 K HN 0.211 nan 8.250 nan 0.000 0.442 1687 Y N 1.726 121.984 120.300 -0.070 0.000 2.145 1687 Y HA -0.198 4.350 4.550 -0.004 0.000 0.286 1687 Y C 1.765 177.627 175.900 -0.064 0.000 1.145 1687 Y CA 1.429 59.496 58.100 -0.055 0.000 1.148 1687 Y CB -0.194 38.240 38.460 -0.043 0.000 0.981 1687 Y HN -0.058 nan 8.280 nan 0.000 0.507 1688 L N -0.118 121.089 121.223 -0.027 0.000 2.191 1688 L HA -0.192 4.145 4.340 -0.004 0.000 0.212 1688 L C 1.775 178.551 176.870 -0.158 0.000 1.103 1688 L CA 1.565 56.349 54.840 -0.092 0.000 0.769 1688 L CB -0.441 41.596 42.059 -0.036 0.000 0.908 1688 L HN 0.301 nan 8.230 nan 0.000 0.438 1689 E N -0.713 119.333 120.200 -0.256 0.000 2.479 1689 E HA -0.050 4.298 4.350 -0.004 0.000 0.193 1689 E C 2.040 178.562 176.600 -0.130 0.000 1.049 1689 E CA 0.647 56.843 56.400 -0.340 0.000 0.870 1689 E CB 0.268 29.594 29.700 -0.624 0.000 0.944 1689 E HN 0.468 nan 8.360 nan 0.000 0.492 1690 S N -0.338 115.260 115.700 -0.169 0.000 2.446 1690 S HA 0.144 4.612 4.470 -0.004 0.000 0.225 1690 S C 0.973 175.510 174.600 -0.106 0.000 1.016 1690 S CA 0.342 58.459 58.200 -0.137 0.000 0.943 1690 S CB 0.578 63.661 63.200 -0.195 0.000 0.786 1690 S HN 0.200 nan 8.310 nan 0.000 0.508 1691 G N 0.000 108.725 108.800 -0.125 0.000 5.446 1691 G HA2 0.000 3.958 3.960 -0.004 0.000 0.244 1691 G HA3 0.000 3.958 3.960 -0.004 0.000 0.244 1691 G CA 0.000 nan 45.100 nan 0.000 0.502 1691 G HN 0.000 nan 8.290 nan 0.000 0.925