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 1u1i_1_D DATA FIRST_RESID 1201 DATA SEQUENCE MKVWLVGAYG IVSTTAMVGA RAIERGIAPK IGLVSELPHF EGIEKYAPFS DATA SEQUENCE FEFGGHEIRL LSNAYEAAKE HWELNRHFDR EILEAVKSDL EGIVARKGTA DATA SEQUENCE LNCGSGIKEL GDIKTLEGEG LSLAEMVSRI EEDIKSFADD ETVVINVAST DATA SEQUENCE EPLPNYSEEY HGSLEGFERM IDEDRKEYAS ASMLYAYAAL KLGLPYANFT DATA SEQUENCE PSPGSAIPAL KELAEKKGVP HAGNDGKTGE TLVKTTLAPM FAYRNMEVVG DATA SEQUENCE WMSYNILGDY DGKVLSARDN KESKVLSKDK VLEKMLGYSP YSITEIQYFP DATA SEQUENCE SLVDNKTAFD FVHFKGFLGK LMKFYFIWDA IDAIVAAPLI LDIARFLLFA DATA SEQUENCE KKKGVKGVVK EMAFFFKSPM DTNVINTHEQ FVVLKEWYSN LK 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 1201 M HA 0.000 nan 4.480 nan 0.000 0.227 1201 M C 0.000 176.250 176.300 -0.083 0.000 1.140 1201 M CA 0.000 55.214 55.300 -0.143 0.000 0.988 1201 M CB 0.000 32.548 32.600 -0.087 0.000 1.302 1202 K N 0.826 121.222 120.400 -0.007 0.000 2.098 1202 K HA 0.868 5.136 4.320 -0.086 0.000 0.258 1202 K C -1.544 175.229 176.600 0.288 0.000 0.973 1202 K CA -0.795 55.536 56.287 0.074 0.000 0.898 1202 K CB 2.347 34.771 32.500 -0.128 0.000 1.057 1202 K HN 0.513 nan 8.250 nan 0.000 0.447 1203 V N 2.662 122.833 119.914 0.429 0.000 2.577 1203 V HA 0.176 4.244 4.120 -0.086 0.000 0.294 1203 V C -1.257 175.064 176.094 0.379 0.000 1.052 1203 V CA -1.022 61.521 62.300 0.405 0.000 0.891 1203 V CB 1.291 33.290 31.823 0.294 0.000 1.017 1203 V HN 0.754 nan 8.190 nan 0.000 0.436 1204 W N 6.789 128.143 121.300 0.090 0.000 2.315 1204 W HA 0.696 5.304 4.660 -0.086 0.000 0.316 1204 W C -1.702 174.742 176.519 -0.125 0.000 1.211 1204 W CA -0.557 56.637 57.345 -0.252 0.000 1.201 1204 W CB 1.499 30.791 29.460 -0.280 0.000 1.184 1204 W HN 0.424 nan 8.180 nan 0.000 0.544 1205 L N 6.491 127.399 121.223 -0.524 0.000 2.372 1205 L HA 0.230 4.518 4.340 -0.086 0.000 0.274 1205 L C -0.066 176.541 176.870 -0.439 0.000 0.988 1205 L CA -0.757 53.884 54.840 -0.332 0.000 0.833 1205 L CB 1.687 43.570 42.059 -0.293 0.000 1.236 1205 L HN 0.012 nan 8.230 nan 0.000 0.410 1206 V N 3.244 123.009 119.914 -0.249 0.000 2.439 1206 V HA 0.436 4.504 4.120 -0.086 0.000 0.271 1206 V C 1.030 176.966 176.094 -0.263 0.000 1.040 1206 V CA 0.725 62.828 62.300 -0.328 0.000 1.002 1206 V CB 0.583 32.101 31.823 -0.509 0.000 1.000 1206 V HN 1.014 nan 8.190 nan 0.000 0.477 1207 G N 4.385 113.024 108.800 -0.267 0.000 2.288 1207 G HA2 -0.049 3.859 3.960 -0.086 0.000 0.205 1207 G HA3 -0.049 3.859 3.960 -0.086 0.000 0.205 1207 G C 0.734 175.497 174.900 -0.229 0.000 1.071 1207 G CA 0.113 45.092 45.100 -0.201 0.000 0.788 1207 G HN 1.262 nan 8.290 nan 0.000 0.491 1208 A N -0.626 121.987 122.820 -0.346 0.000 2.024 1208 A HA 0.096 4.364 4.320 -0.086 0.000 0.220 1208 A C 1.691 179.229 177.584 -0.076 0.000 1.164 1208 A CA 2.094 53.925 52.037 -0.342 0.000 0.643 1208 A CB -0.297 18.372 19.000 -0.553 0.000 0.806 1208 A HN 0.810 nan 8.150 nan 0.000 0.451 1209 Y N -0.293 119.931 120.300 -0.126 0.000 2.458 1209 Y HA 0.303 4.801 4.550 -0.087 0.000 0.256 1209 Y C 1.728 177.639 175.900 0.018 0.000 1.159 1209 Y CA -0.900 57.165 58.100 -0.058 0.000 1.261 1209 Y CB -1.030 37.392 38.460 -0.063 0.000 1.119 1209 Y HN 0.220 nan 8.280 nan 0.000 0.524 1210 G N 0.420 109.267 108.800 0.077 0.000 2.699 1210 G HA2 0.070 3.979 3.960 -0.086 0.000 0.246 1210 G HA3 0.070 3.979 3.960 -0.086 0.000 0.246 1210 G C 1.195 176.019 174.900 -0.126 0.000 1.219 1210 G CA -0.327 44.768 45.100 -0.008 0.000 0.866 1210 G HN 0.400 nan 8.290 nan 0.000 0.572 1211 I N 0.230 120.557 120.570 -0.405 0.000 2.761 1211 I HA -0.051 4.067 4.170 -0.086 0.000 0.261 1211 I C 2.112 178.057 176.117 -0.287 0.000 1.198 1211 I CA 0.477 61.414 61.300 -0.603 0.000 1.482 1211 I CB 0.193 37.730 38.000 -0.772 0.000 1.100 1211 I HN 0.228 nan 8.210 nan 0.000 0.445 1212 V N -0.501 119.277 119.914 -0.226 0.000 2.649 1212 V HA -0.141 3.927 4.120 -0.086 0.000 0.248 1212 V C 2.426 178.378 176.094 -0.238 0.000 1.054 1212 V CA 1.651 63.817 62.300 -0.222 0.000 1.073 1212 V CB 0.152 31.827 31.823 -0.247 0.000 0.699 1212 V HN 0.369 nan 8.190 nan 0.000 0.463 1213 S N 0.227 115.795 115.700 -0.221 0.000 2.371 1213 S HA -0.163 4.255 4.470 -0.086 0.000 0.224 1213 S C 2.240 176.693 174.600 -0.245 0.000 1.029 1213 S CA 1.992 60.041 58.200 -0.251 0.000 0.978 1213 S CB -0.225 62.844 63.200 -0.219 0.000 0.833 1213 S HN 0.852 nan 8.310 nan 0.000 0.466 1214 T N -0.620 113.858 114.554 -0.126 0.000 2.821 1214 T HA -0.057 4.241 4.350 -0.086 0.000 0.267 1214 T C 1.734 176.382 174.700 -0.085 0.000 1.046 1214 T CA 1.681 63.735 62.100 -0.076 0.000 1.139 1214 T CB -1.051 67.864 68.868 0.078 0.000 0.871 1214 T HN 0.332 nan 8.240 nan 0.000 0.454 1215 T N 1.626 116.153 114.554 -0.044 0.000 3.072 1215 T HA 0.329 4.628 4.350 -0.086 0.000 0.266 1215 T C 2.268 176.893 174.700 -0.125 0.000 1.127 1215 T CA 0.685 62.768 62.100 -0.028 0.000 1.107 1215 T CB -0.381 68.519 68.868 0.053 0.000 0.910 1215 T HN 0.578 nan 8.240 nan 0.000 0.513 1216 A N 1.319 124.022 122.820 -0.195 0.000 1.935 1216 A HA 0.226 4.494 4.320 -0.086 0.000 0.214 1216 A C 2.244 179.670 177.584 -0.262 0.000 1.178 1216 A CA 0.594 52.502 52.037 -0.215 0.000 0.640 1216 A CB -0.426 18.407 19.000 -0.278 0.000 0.825 1216 A HN 0.403 nan 8.150 nan 0.000 0.447 1217 M N -0.494 118.842 119.600 -0.439 0.000 2.200 1217 M HA -0.092 4.336 4.480 -0.086 0.000 0.265 1217 M C 2.007 178.194 176.300 -0.190 0.000 1.066 1217 M CA 1.091 56.044 55.300 -0.578 0.000 1.127 1217 M CB -0.317 31.870 32.600 -0.690 0.000 1.379 1217 M HN 0.247 nan 8.290 nan 0.000 0.420 1218 V N 0.051 119.860 119.914 -0.175 0.000 2.307 1218 V HA -0.147 3.921 4.120 -0.086 0.000 0.245 1218 V C 2.553 178.567 176.094 -0.134 0.000 1.045 1218 V CA 2.186 64.377 62.300 -0.182 0.000 1.024 1218 V CB -1.518 30.048 31.823 -0.428 0.000 0.651 1218 V HN 0.592 nan 8.190 nan 0.000 0.449 1219 G N -0.583 108.154 108.800 -0.105 0.000 2.403 1219 G HA2 -0.108 3.800 3.960 -0.086 0.000 0.216 1219 G HA3 -0.108 3.800 3.960 -0.086 0.000 0.216 1219 G C 1.795 176.809 174.900 0.190 0.000 1.154 1219 G CA 0.904 46.010 45.100 0.009 0.000 0.784 1219 G HN 0.575 nan 8.290 nan 0.000 0.538 1220 A N 1.104 124.076 122.820 0.252 0.000 1.903 1220 A HA -0.164 4.104 4.320 -0.086 0.000 0.219 1220 A C 2.456 180.286 177.584 0.410 0.000 1.191 1220 A CA 2.121 54.417 52.037 0.432 0.000 0.638 1220 A CB -0.414 18.833 19.000 0.412 0.000 0.823 1220 A HN 0.365 nan 8.150 nan 0.000 0.451 1221 R N -0.841 119.821 120.500 0.270 0.000 2.062 1221 R HA 0.111 4.399 4.340 -0.086 0.000 0.229 1221 R C 2.474 178.875 176.300 0.168 0.000 1.128 1221 R CA 1.173 57.397 56.100 0.207 0.000 0.960 1221 R CB -0.518 29.876 30.300 0.156 0.000 0.855 1221 R HN 0.485 nan 8.270 nan 0.000 0.432 1222 A N 0.747 123.643 122.820 0.126 0.000 2.024 1222 A HA -0.125 4.143 4.320 -0.086 0.000 0.220 1222 A C 2.021 179.665 177.584 0.100 0.000 1.164 1222 A CA 1.242 53.330 52.037 0.084 0.000 0.643 1222 A CB -0.491 18.529 19.000 0.032 0.000 0.806 1222 A HN 0.207 nan 8.150 nan 0.000 0.451 1223 I N -1.454 119.211 120.570 0.158 0.000 2.429 1223 I HA -0.105 4.013 4.170 -0.086 0.000 0.247 1223 I C 2.288 178.505 176.117 0.166 0.000 1.099 1223 I CA 0.858 62.233 61.300 0.125 0.000 1.422 1223 I CB -0.506 37.527 38.000 0.055 0.000 1.112 1223 I HN 0.353 nan 8.210 nan 0.000 0.430 1224 E N 0.832 121.206 120.200 0.290 0.000 2.265 1224 E HA -0.175 4.123 4.350 -0.086 0.000 0.196 1224 E C 2.147 178.827 176.600 0.133 0.000 0.996 1224 E CA 0.750 57.293 56.400 0.237 0.000 0.832 1224 E CB 0.078 29.924 29.700 0.242 0.000 0.756 1224 E HN 0.336 nan 8.360 nan 0.000 0.491 1225 R N -0.894 119.677 120.500 0.118 0.000 2.200 1225 R HA 0.004 4.292 4.340 -0.086 0.000 0.208 1225 R C 1.145 177.481 176.300 0.060 0.000 1.033 1225 R CA 0.625 56.772 56.100 0.079 0.000 1.000 1225 R CB 0.414 30.758 30.300 0.074 0.000 0.906 1225 R HN 0.237 nan 8.270 nan 0.000 0.462 1226 G N 1.557 110.395 108.800 0.063 0.000 2.137 1226 G HA2 -0.226 3.683 3.960 -0.086 0.000 0.237 1226 G HA3 -0.226 3.683 3.960 -0.086 0.000 0.237 1226 G C 0.422 175.344 174.900 0.037 0.000 1.002 1226 G CA 0.388 45.513 45.100 0.042 0.000 0.702 1226 G HN 0.440 nan 8.290 nan 0.000 0.515 1227 I N -2.536 118.060 120.570 0.044 0.000 3.856 1227 I HA 0.780 4.898 4.170 -0.086 0.000 0.333 1227 I C 0.576 176.718 176.117 0.042 0.000 1.525 1227 I CA -0.090 61.234 61.300 0.041 0.000 1.173 1227 I CB 0.456 38.482 38.000 0.043 0.000 1.175 1227 I HN 0.744 nan 8.210 nan 0.000 0.424 1228 A N 1.340 124.181 122.820 0.035 0.000 2.565 1228 A HA 0.700 4.968 4.320 -0.086 0.000 0.298 1228 A C -2.881 174.708 177.584 0.009 0.000 1.062 1228 A CA -0.955 51.100 52.037 0.030 0.000 0.723 1228 A CB 0.765 19.785 19.000 0.035 0.000 1.282 1228 A HN 0.044 nan 8.150 nan 0.000 0.400 1229 P HA 0.176 nan 4.420 nan 0.000 0.272 1229 P C -0.495 176.785 177.300 -0.033 0.000 1.248 1229 P CA 0.118 63.214 63.100 -0.006 0.000 0.799 1229 P CB 0.542 32.247 31.700 0.008 0.000 0.997 1230 K N 0.686 121.058 120.400 -0.048 0.000 3.129 1230 K HA 0.309 4.577 4.320 -0.086 0.000 0.224 1230 K C 0.068 176.654 176.600 -0.023 0.000 1.249 1230 K CA -0.231 56.007 56.287 -0.082 0.000 1.177 1230 K CB -0.414 32.010 32.500 -0.127 0.000 1.393 1230 K HN 0.383 nan 8.250 nan 0.000 0.459 1231 I N -0.195 120.377 120.570 0.003 0.000 2.474 1231 I HA 0.142 4.261 4.170 -0.086 0.000 0.287 1231 I C 1.256 177.406 176.117 0.054 0.000 1.048 1231 I CA 0.052 61.370 61.300 0.030 0.000 1.383 1231 I CB 0.820 38.840 38.000 0.033 0.000 1.412 1231 I HN 0.575 nan 8.210 nan 0.000 0.531 1232 G N 5.166 114.012 108.800 0.076 0.000 2.176 1232 G HA2 -0.247 3.661 3.960 -0.086 0.000 0.253 1232 G HA3 -0.247 3.661 3.960 -0.086 0.000 0.253 1232 G C 0.018 175.010 174.900 0.152 0.000 0.979 1232 G CA -0.452 44.712 45.100 0.108 0.000 0.641 1232 G HN 0.532 nan 8.290 nan 0.000 0.530 1233 L N 1.765 123.076 121.223 0.147 0.000 2.302 1233 L HA 0.318 4.607 4.340 -0.086 0.000 0.285 1233 L C 2.069 179.108 176.870 0.282 0.000 1.090 1233 L CA -0.827 54.134 54.840 0.202 0.000 0.866 1233 L CB 1.248 43.376 42.059 0.115 0.000 1.244 1233 L HN -0.011 nan 8.230 nan 0.000 0.435 1234 V N 0.993 121.145 119.914 0.398 0.000 2.332 1234 V HA -0.288 3.780 4.120 -0.086 0.000 0.248 1234 V C 2.181 178.637 176.094 0.604 0.000 1.055 1234 V CA 2.316 64.927 62.300 0.518 0.000 1.038 1234 V CB -0.480 31.725 31.823 0.638 0.000 0.651 1234 V HN 0.963 nan 8.190 nan 0.000 0.450 1235 S N -0.707 115.319 115.700 0.543 0.000 2.555 1235 S HA -0.087 4.331 4.470 -0.086 0.000 0.230 1235 S C 1.596 176.341 174.600 0.241 0.000 0.978 1235 S CA 0.683 59.067 58.200 0.307 0.000 0.934 1235 S CB -0.212 62.984 63.200 -0.007 0.000 0.766 1235 S HN 0.529 nan 8.310 nan 0.000 0.533 1236 E N 0.923 121.262 120.200 0.233 0.000 2.478 1236 E HA 0.302 4.600 4.350 -0.086 0.000 0.194 1236 E C 0.298 176.978 176.600 0.134 0.000 1.045 1236 E CA -0.159 56.318 56.400 0.129 0.000 0.868 1236 E CB -0.211 29.528 29.700 0.066 0.000 0.885 1236 E HN 0.569 nan 8.360 nan 0.000 0.505 1237 L N 1.586 122.939 121.223 0.217 0.000 2.485 1237 L HA -0.008 4.280 4.340 -0.086 0.000 0.275 1237 L C -1.170 175.734 176.870 0.056 0.000 1.207 1237 L CA -1.057 53.871 54.840 0.146 0.000 0.855 1237 L CB 0.232 42.410 42.059 0.198 0.000 1.114 1237 L HN -0.092 nan 8.230 nan 0.000 0.485 1238 P HA -0.240 nan 4.420 nan 0.000 0.217 1238 P C 1.284 178.535 177.300 -0.082 0.000 1.148 1238 P CA 1.377 64.466 63.100 -0.019 0.000 0.834 1238 P CB 0.095 31.792 31.700 -0.005 0.000 0.783 1239 H N -0.857 118.042 119.070 -0.285 0.000 2.290 1239 H HA -0.101 4.404 4.556 -0.086 0.000 0.298 1239 H C 0.783 175.822 175.328 -0.482 0.000 1.087 1239 H CA 1.362 57.131 56.048 -0.465 0.000 1.291 1239 H CB -0.945 28.339 29.762 -0.796 0.000 1.369 1239 H HN 0.003 nan 8.280 nan 0.000 0.492 1240 F N 1.803 121.558 119.950 -0.325 0.000 2.818 1240 F HA 0.161 4.636 4.527 -0.087 0.000 0.303 1240 F C 0.566 176.110 175.800 -0.427 0.000 1.250 1240 F CA -0.074 57.510 58.000 -0.693 0.000 1.409 1240 F CB -1.211 37.413 39.000 -0.626 0.000 1.183 1240 F HN 0.163 nan 8.300 nan 0.000 0.534 1241 E N 0.029 120.139 120.200 -0.151 0.000 2.384 1241 E HA 0.372 4.670 4.350 -0.086 0.000 0.266 1241 E C 1.190 177.791 176.600 0.002 0.000 1.012 1241 E CA 0.961 57.327 56.400 -0.057 0.000 0.901 1241 E CB 0.372 30.039 29.700 -0.055 0.000 0.967 1241 E HN 0.514 nan 8.360 nan 0.000 0.435 1242 G N 3.491 112.284 108.800 -0.011 0.000 2.136 1242 G HA2 -0.294 3.614 3.960 -0.086 0.000 0.242 1242 G HA3 -0.294 3.614 3.960 -0.086 0.000 0.242 1242 G C 0.645 175.526 174.900 -0.031 0.000 0.989 1242 G CA 0.339 45.420 45.100 -0.031 0.000 0.682 1242 G HN 0.641 nan 8.290 nan 0.000 0.522 1243 I N 0.540 121.118 120.570 0.014 0.000 3.059 1243 I HA 0.066 4.185 4.170 -0.086 0.000 0.270 1243 I C 2.279 178.393 176.117 -0.005 0.000 1.238 1243 I CA 1.261 62.591 61.300 0.050 0.000 1.478 1243 I CB -0.042 37.917 38.000 -0.068 0.000 1.097 1243 I HN 0.322 nan 8.210 nan 0.000 0.455 1244 E N 2.253 122.428 120.200 -0.043 0.000 2.515 1244 E HA -0.235 4.064 4.350 -0.086 0.000 0.201 1244 E C 1.165 177.715 176.600 -0.082 0.000 1.071 1244 E CA 0.665 57.042 56.400 -0.038 0.000 0.880 1244 E CB -0.458 29.227 29.700 -0.024 0.000 0.828 1244 E HN 0.706 nan 8.360 nan 0.000 0.540 1245 K N -0.835 119.446 120.400 -0.198 0.000 2.374 1245 K HA 0.103 4.371 4.320 -0.086 0.000 0.196 1245 K C 0.746 177.197 176.600 -0.249 0.000 1.023 1245 K CA 0.045 56.162 56.287 -0.283 0.000 1.103 1245 K CB 0.057 32.303 32.500 -0.422 0.000 0.848 1245 K HN 0.166 nan 8.250 nan 0.000 0.528 1246 Y N 0.420 120.756 120.300 0.060 0.000 2.921 1246 Y HA 0.367 4.865 4.550 -0.087 0.000 0.246 1246 Y C 0.579 176.505 175.900 0.043 0.000 1.030 1246 Y CA -0.725 57.419 58.100 0.073 0.000 1.338 1246 Y CB 1.061 39.626 38.460 0.175 0.000 1.493 1246 Y HN 0.068 nan 8.280 nan 0.000 0.452 1247 A N 2.356 125.297 122.820 0.202 0.000 2.646 1247 A HA 0.464 4.732 4.320 -0.086 0.000 0.312 1247 A C -2.945 174.632 177.584 -0.011 0.000 1.245 1247 A CA -1.543 50.535 52.037 0.068 0.000 0.755 1247 A CB 0.014 19.075 19.000 0.101 0.000 1.132 1247 A HN -0.071 nan 8.150 nan 0.000 0.458 1248 P HA 0.205 nan 4.420 nan 0.000 0.281 1248 P C -0.341 176.876 177.300 -0.139 0.000 1.249 1248 P CA -0.451 62.614 63.100 -0.058 0.000 0.810 1248 P CB 0.639 32.302 31.700 -0.062 0.000 1.008 1249 F N 1.954 121.802 119.950 -0.170 0.000 2.650 1249 F HA 0.191 4.666 4.527 -0.086 0.000 0.338 1249 F C 0.061 175.671 175.800 -0.316 0.000 1.311 1249 F CA 0.982 58.852 58.000 -0.217 0.000 1.106 1249 F CB -0.513 38.491 39.000 0.008 0.000 1.500 1249 F HN 0.098 nan 8.300 nan 0.000 0.670 1250 S N 5.471 120.644 115.700 -0.879 0.000 2.750 1250 S HA 0.552 4.971 4.470 -0.086 0.000 0.276 1250 S C -0.998 173.070 174.600 -0.887 0.000 1.165 1250 S CA -0.395 57.419 58.200 -0.644 0.000 1.047 1250 S CB 0.195 63.209 63.200 -0.311 0.000 1.056 1250 S HN 0.340 nan 8.310 nan 0.000 0.481 1251 F N 1.913 121.614 119.950 -0.416 0.000 2.561 1251 F HA 0.670 5.146 4.527 -0.086 0.000 0.321 1251 F C 0.112 175.514 175.800 -0.663 0.000 1.065 1251 F CA -0.859 56.793 58.000 -0.580 0.000 0.934 1251 F CB 1.804 40.334 39.000 -0.783 0.000 1.215 1251 F HN 0.326 nan 8.300 nan 0.000 0.471 1252 E N 1.563 121.446 120.200 -0.528 0.000 2.263 1252 E HA 0.562 4.860 4.350 -0.086 0.000 0.268 1252 E C -1.561 174.860 176.600 -0.298 0.000 0.884 1252 E CA -0.541 55.634 56.400 -0.376 0.000 0.766 1252 E CB 1.979 31.609 29.700 -0.116 0.000 1.196 1252 E HN 0.279 nan 8.360 nan 0.000 0.416 1253 F N 0.758 120.843 119.950 0.226 0.000 2.639 1253 F HA 0.968 5.444 4.527 -0.086 0.000 0.339 1253 F C 0.839 176.667 175.800 0.047 0.000 1.071 1253 F CA -0.886 57.206 58.000 0.154 0.000 0.994 1253 F CB 1.978 40.965 39.000 -0.022 0.000 1.341 1253 F HN 0.536 nan 8.300 nan 0.000 0.498 1254 G N -1.329 107.370 108.800 -0.168 0.000 2.451 1254 G HA2 0.605 4.513 3.960 -0.086 0.000 0.292 1254 G HA3 0.605 4.513 3.960 -0.086 0.000 0.292 1254 G C -1.225 172.825 174.900 -1.416 0.000 1.427 1254 G CA -0.143 44.527 45.100 -0.717 0.000 0.792 1254 G HN 1.271 nan 8.290 nan 0.000 0.498 1255 G N -1.647 105.883 108.800 -2.116 0.000 2.313 1255 G HA2 0.547 4.455 3.960 -0.086 0.000 0.296 1255 G HA3 0.547 4.455 3.960 -0.086 0.000 0.296 1255 G C -1.600 172.396 174.900 -1.506 0.000 1.356 1255 G CA -0.824 42.823 45.100 -2.422 0.000 0.833 1255 G HN 0.857 nan 8.290 nan 0.000 0.552 1256 H N -0.457 118.198 119.070 -0.692 0.000 2.508 1256 H HA 0.750 5.255 4.556 -0.087 0.000 0.344 1256 H C -0.242 174.882 175.328 -0.340 0.000 1.192 1256 H CA 0.030 55.932 56.048 -0.243 0.000 1.290 1256 H CB 2.022 31.811 29.762 0.044 0.000 1.571 1256 H HN 0.673 nan 8.280 nan 0.000 0.555 1257 E N 0.511 120.658 120.200 -0.089 0.000 2.389 1257 E HA 0.131 4.429 4.350 -0.086 0.000 0.281 1257 E C -0.846 175.707 176.600 -0.078 0.000 1.072 1257 E CA -0.361 55.917 56.400 -0.203 0.000 0.845 1257 E CB 0.700 30.076 29.700 -0.540 0.000 1.239 1257 E HN 0.588 nan 8.360 nan 0.000 0.434 1258 I N -0.689 119.852 120.570 -0.049 0.000 3.339 1258 I HA 0.447 4.566 4.170 -0.086 0.000 0.285 1258 I C 0.721 176.847 176.117 0.014 0.000 1.201 1258 I CA -0.324 60.978 61.300 0.003 0.000 1.434 1258 I CB 0.243 38.255 38.000 0.020 0.000 1.152 1258 I HN 0.131 nan 8.210 nan 0.000 0.443 1259 R N 2.955 123.463 120.500 0.013 0.000 2.357 1259 R HA 0.337 4.625 4.340 -0.086 0.000 0.330 1259 R C -0.692 175.704 176.300 0.161 0.000 1.102 1259 R CA -0.210 55.933 56.100 0.073 0.000 0.974 1259 R CB 0.454 30.792 30.300 0.062 0.000 1.002 1259 R HN 0.387 nan 8.270 nan 0.000 0.463 1260 L N 5.704 127.002 121.223 0.125 0.000 2.315 1260 L HA 0.249 4.538 4.340 -0.086 0.000 0.283 1260 L C -0.667 176.309 176.870 0.177 0.000 1.089 1260 L CA 0.012 54.952 54.840 0.165 0.000 0.833 1260 L CB 0.358 42.477 42.059 0.100 0.000 1.170 1260 L HN 0.471 nan 8.230 nan 0.000 0.442 1261 L N 2.675 124.069 121.223 0.285 0.000 2.301 1261 L HA 0.480 4.768 4.340 -0.086 0.000 0.264 1261 L C 1.102 178.021 176.870 0.082 0.000 1.016 1261 L CA -0.586 54.286 54.840 0.053 0.000 0.821 1261 L CB 2.209 44.075 42.059 -0.321 0.000 1.346 1261 L HN 0.640 nan 8.230 nan 0.000 0.429 1262 S N 1.023 116.721 115.700 -0.003 0.000 2.472 1262 S HA -0.118 4.300 4.470 -0.086 0.000 0.213 1262 S C 0.397 175.041 174.600 0.073 0.000 1.064 1262 S CA 1.289 59.512 58.200 0.039 0.000 1.144 1262 S CB -0.652 62.560 63.200 0.020 0.000 1.085 1262 S HN 0.847 nan 8.310 nan 0.000 0.405 1263 N N 0.363 119.081 118.700 0.030 0.000 2.992 1263 N HA 0.697 5.385 4.740 -0.086 0.000 0.338 1263 N C 0.460 175.980 175.510 0.017 0.000 1.376 1263 N CA -0.247 52.852 53.050 0.081 0.000 0.778 1263 N CB 0.143 38.686 38.487 0.094 0.000 1.232 1263 N HN 0.300 nan 8.380 nan 0.000 0.581 1264 A N -1.900 120.977 122.820 0.094 0.000 2.095 1264 A HA 0.025 4.293 4.320 -0.086 0.000 0.212 1264 A C 1.678 179.285 177.584 0.038 0.000 1.162 1264 A CA 0.256 52.339 52.037 0.076 0.000 0.753 1264 A CB -1.128 17.942 19.000 0.116 0.000 0.840 1264 A HN 0.695 nan 8.150 nan 0.000 0.468 1265 Y N 0.985 121.269 120.300 -0.027 0.000 2.242 1265 Y HA -0.151 4.347 4.550 -0.086 0.000 0.291 1265 Y C 2.167 178.040 175.900 -0.045 0.000 1.137 1265 Y CA 1.926 60.014 58.100 -0.020 0.000 1.181 1265 Y CB -0.010 38.442 38.460 -0.013 0.000 0.989 1265 Y HN 0.284 nan 8.280 nan 0.000 0.527 1266 E N 0.768 120.868 120.200 -0.167 0.000 2.038 1266 E HA -0.264 4.034 4.350 -0.086 0.000 0.195 1266 E C 2.446 178.849 176.600 -0.329 0.000 1.000 1266 E CA 1.342 57.579 56.400 -0.272 0.000 0.803 1266 E CB -0.885 28.712 29.700 -0.172 0.000 0.750 1266 E HN 0.577 nan 8.360 nan 0.000 0.448 1267 A N 1.675 124.274 122.820 -0.369 0.000 1.859 1267 A HA -0.198 4.071 4.320 -0.086 0.000 0.217 1267 A C 2.491 180.020 177.584 -0.091 0.000 1.198 1267 A CA 2.856 54.708 52.037 -0.309 0.000 0.629 1267 A CB -0.995 17.777 19.000 -0.380 0.000 0.830 1267 A HN 0.305 nan 8.150 nan 0.000 0.446 1268 A N 0.013 122.823 122.820 -0.016 0.000 1.917 1268 A HA -0.275 3.993 4.320 -0.086 0.000 0.219 1268 A C 2.079 179.711 177.584 0.080 0.000 1.182 1268 A CA 2.750 54.872 52.037 0.141 0.000 0.633 1268 A CB -0.603 18.468 19.000 0.119 0.000 0.819 1268 A HN 0.658 nan 8.150 nan 0.000 0.448 1269 K N 0.120 120.388 120.400 -0.220 0.000 2.020 1269 K HA -0.250 4.018 4.320 -0.086 0.000 0.212 1269 K C 2.035 178.592 176.600 -0.072 0.000 1.050 1269 K CA 2.126 58.252 56.287 -0.268 0.000 0.929 1269 K CB -0.380 31.785 32.500 -0.558 0.000 0.714 1269 K HN 0.542 nan 8.250 nan 0.000 0.443 1270 E N -0.722 119.397 120.200 -0.135 0.000 2.171 1270 E HA -0.269 4.029 4.350 -0.086 0.000 0.197 1270 E C 1.548 178.096 176.600 -0.086 0.000 0.997 1270 E CA 1.760 58.071 56.400 -0.148 0.000 0.810 1270 E CB -0.050 29.484 29.700 -0.276 0.000 0.738 1270 E HN 0.645 nan 8.360 nan 0.000 0.467 1271 H N -2.332 116.815 119.070 0.128 0.000 2.451 1271 H HA 0.002 4.507 4.556 -0.086 0.000 0.294 1271 H C 1.310 176.757 175.328 0.199 0.000 1.028 1271 H CA 0.768 56.940 56.048 0.207 0.000 1.349 1271 H CB -0.142 29.801 29.762 0.303 0.000 1.444 1271 H HN 0.225 nan 8.280 nan 0.000 0.538 1272 W N 2.239 123.556 121.300 0.029 0.000 2.421 1272 W HA -0.122 4.489 4.660 -0.082 0.000 0.270 1272 W C 1.395 177.787 176.519 -0.212 0.000 1.233 1272 W CA 1.318 58.465 57.345 -0.329 0.000 1.226 1272 W CB 0.251 29.377 29.460 -0.556 0.000 1.121 1272 W HN 0.196 nan 8.180 nan 0.000 0.579 1273 E N -0.534 119.730 120.200 0.106 0.000 2.318 1273 E HA -0.083 4.215 4.350 -0.086 0.000 0.193 1273 E C 1.927 178.477 176.600 -0.082 0.000 0.998 1273 E CA 0.865 57.282 56.400 0.029 0.000 0.859 1273 E CB -0.071 29.691 29.700 0.104 0.000 0.812 1273 E HN 0.355 nan 8.360 nan 0.000 0.492 1274 L N 0.180 121.377 121.223 -0.043 0.000 2.145 1274 L HA 0.039 4.327 4.340 -0.086 0.000 0.201 1274 L C 1.901 178.723 176.870 -0.080 0.000 1.075 1274 L CA 0.755 55.572 54.840 -0.038 0.000 0.773 1274 L CB -0.183 41.894 42.059 0.029 0.000 0.936 1274 L HN -0.005 nan 8.230 nan 0.000 0.451 1275 N N 0.158 118.822 118.700 -0.061 0.000 2.454 1275 N HA 0.049 4.738 4.740 -0.086 0.000 0.177 1275 N C 0.302 175.663 175.510 -0.249 0.000 1.049 1275 N CA 0.029 53.060 53.050 -0.031 0.000 0.887 1275 N CB 0.420 39.033 38.487 0.210 0.000 1.095 1275 N HN 0.054 nan 8.380 nan 0.000 0.446 1276 R N 0.653 120.753 120.500 -0.666 0.000 3.627 1276 R HA -0.175 4.114 4.340 -0.086 0.000 0.281 1276 R C 0.190 175.961 176.300 -0.881 0.000 1.140 1276 R CA 0.651 55.892 56.100 -1.430 0.000 0.761 1276 R CB -2.240 27.356 30.300 -1.173 0.000 1.181 1276 R HN 0.658 nan 8.270 nan 0.000 0.472 1277 H N -2.240 116.584 119.070 -0.410 0.000 2.567 1277 H HA 0.126 4.630 4.556 -0.087 0.000 0.276 1277 H C 0.734 176.181 175.328 0.199 0.000 1.016 1277 H CA 0.858 56.880 56.048 -0.044 0.000 1.186 1277 H CB -0.122 29.708 29.762 0.113 0.000 1.351 1277 H HN 0.465 nan 8.280 nan 0.000 0.605 1278 F N -2.098 117.835 119.950 -0.029 0.000 3.413 1278 F HA 0.504 4.979 4.527 -0.087 0.000 0.328 1278 F C -1.447 174.662 175.800 0.516 0.000 1.209 1278 F CA -1.821 56.301 58.000 0.203 0.000 0.930 1278 F CB 0.831 39.947 39.000 0.194 0.000 1.559 1278 F HN -0.283 nan 8.300 nan 0.000 0.523 1279 D N 0.490 121.259 120.400 0.616 0.000 2.198 1279 D HA 0.366 4.954 4.640 -0.086 0.000 0.245 1279 D C 0.757 177.077 176.300 0.033 0.000 1.079 1279 D CA -0.403 53.837 54.000 0.399 0.000 0.854 1279 D CB 1.982 42.938 40.800 0.259 0.000 1.148 1279 D HN 0.607 nan 8.370 nan 0.000 0.456 1280 R N 1.821 122.078 120.500 -0.405 0.000 2.127 1280 R HA -0.142 4.146 4.340 -0.086 0.000 0.238 1280 R C 1.283 177.337 176.300 -0.410 0.000 1.134 1280 R CA 1.463 56.870 56.100 -1.155 0.000 0.975 1280 R CB 0.058 29.598 30.300 -1.266 0.000 0.865 1280 R HN 0.507 nan 8.270 nan 0.000 0.447 1281 E N -0.064 120.040 120.200 -0.160 0.000 2.147 1281 E HA -0.246 4.052 4.350 -0.086 0.000 0.199 1281 E C 1.857 178.454 176.600 -0.004 0.000 1.005 1281 E CA 1.815 58.184 56.400 -0.051 0.000 0.810 1281 E CB -0.190 29.515 29.700 0.008 0.000 0.736 1281 E HN 0.471 nan 8.360 nan 0.000 0.460 1282 I N 0.475 121.084 120.570 0.066 0.000 2.286 1282 I HA -0.229 3.889 4.170 -0.086 0.000 0.245 1282 I C 2.441 178.632 176.117 0.124 0.000 1.104 1282 I CA 0.216 61.588 61.300 0.119 0.000 1.397 1282 I CB -0.200 37.920 38.000 0.200 0.000 1.072 1282 I HN 0.128 nan 8.210 nan 0.000 0.417 1283 L N 1.252 122.553 121.223 0.130 0.000 2.034 1283 L HA -0.262 4.027 4.340 -0.086 0.000 0.217 1283 L C 2.362 179.357 176.870 0.208 0.000 1.077 1283 L CA 2.069 56.984 54.840 0.125 0.000 0.769 1283 L CB -0.723 41.175 42.059 -0.269 0.000 0.890 1283 L HN 0.254 nan 8.230 nan 0.000 0.435 1284 E N -0.720 119.519 120.200 0.065 0.000 2.318 1284 E HA 0.100 4.398 4.350 -0.086 0.000 0.193 1284 E C 2.072 178.655 176.600 -0.029 0.000 0.998 1284 E CA 0.912 57.312 56.400 0.001 0.000 0.859 1284 E CB -0.395 29.278 29.700 -0.045 0.000 0.812 1284 E HN 0.600 nan 8.360 nan 0.000 0.492 1285 A N 0.811 123.636 122.820 0.009 0.000 2.123 1285 A HA 0.053 4.321 4.320 -0.086 0.000 0.214 1285 A C 2.082 179.681 177.584 0.024 0.000 1.152 1285 A CA 0.363 52.405 52.037 0.009 0.000 0.728 1285 A CB 0.102 19.114 19.000 0.021 0.000 0.814 1285 A HN 0.098 nan 8.150 nan 0.000 0.464 1286 V N -0.410 119.537 119.914 0.055 0.000 3.621 1286 V HA -0.005 4.063 4.120 -0.086 0.000 0.285 1286 V C 1.974 178.118 176.094 0.083 0.000 1.346 1286 V CA 0.312 62.659 62.300 0.077 0.000 1.104 1286 V CB -0.136 31.738 31.823 0.084 0.000 0.913 1286 V HN 0.429 nan 8.190 nan 0.000 0.432 1287 K N 0.723 121.116 120.400 -0.011 0.000 1.981 1287 K HA -0.223 4.045 4.320 -0.086 0.000 0.228 1287 K C 2.271 178.763 176.600 -0.180 0.000 1.050 1287 K CA 2.273 58.393 56.287 -0.279 0.000 1.001 1287 K CB -0.629 31.625 32.500 -0.410 0.000 0.738 1287 K HN 0.464 nan 8.250 nan 0.000 0.447 1288 S N 1.559 117.183 115.700 -0.126 0.000 2.378 1288 S HA -0.215 4.203 4.470 -0.086 0.000 0.229 1288 S C 1.513 176.112 174.600 -0.001 0.000 1.052 1288 S CA 2.015 60.176 58.200 -0.064 0.000 1.084 1288 S CB -0.645 62.533 63.200 -0.037 0.000 0.950 1288 S HN 0.337 nan 8.310 nan 0.000 0.440 1289 D N 1.370 121.790 120.400 0.034 0.000 2.137 1289 D HA -0.087 4.502 4.640 -0.086 0.000 0.193 1289 D C 1.872 178.234 176.300 0.104 0.000 0.993 1289 D CA 0.812 54.861 54.000 0.081 0.000 0.846 1289 D CB -0.741 40.124 40.800 0.109 0.000 0.990 1289 D HN 0.138 nan 8.370 nan 0.000 0.448 1290 L N 1.250 122.548 121.223 0.124 0.000 2.187 1290 L HA -0.129 4.160 4.340 -0.086 0.000 0.213 1290 L C 2.154 179.113 176.870 0.147 0.000 1.100 1290 L CA 1.334 56.261 54.840 0.144 0.000 0.765 1290 L CB -0.937 41.225 42.059 0.172 0.000 0.904 1290 L HN 0.052 nan 8.230 nan 0.000 0.437 1291 E N -0.616 119.656 120.200 0.120 0.000 2.130 1291 E HA -0.189 4.109 4.350 -0.086 0.000 0.196 1291 E C 2.095 178.742 176.600 0.079 0.000 0.998 1291 E CA 1.298 57.748 56.400 0.083 0.000 0.806 1291 E CB -0.344 29.355 29.700 -0.002 0.000 0.738 1291 E HN 0.555 nan 8.360 nan 0.000 0.459 1292 G N 1.748 110.595 108.800 0.079 0.000 2.424 1292 G HA2 -0.123 3.785 3.960 -0.086 0.000 0.214 1292 G HA3 -0.123 3.785 3.960 -0.086 0.000 0.214 1292 G C 0.901 175.863 174.900 0.104 0.000 1.202 1292 G CA -0.130 45.020 45.100 0.085 0.000 0.793 1292 G HN 0.108 nan 8.290 nan 0.000 0.534 1293 I N 2.057 122.701 120.570 0.123 0.000 2.769 1293 I HA 0.083 4.202 4.170 -0.086 0.000 0.285 1293 I C -0.004 176.172 176.117 0.099 0.000 1.173 1293 I CA -0.154 61.218 61.300 0.122 0.000 1.389 1293 I CB -0.009 38.077 38.000 0.142 0.000 1.404 1293 I HN -0.221 nan 8.210 nan 0.000 0.544 1294 V N 6.827 126.784 119.914 0.072 0.000 2.435 1294 V HA 0.614 4.683 4.120 -0.086 0.000 0.290 1294 V C 0.747 176.813 176.094 -0.047 0.000 1.030 1294 V CA -0.848 61.492 62.300 0.066 0.000 0.881 1294 V CB 1.608 33.478 31.823 0.078 0.000 0.983 1294 V HN 0.892 nan 8.190 nan 0.000 0.445 1295 A N 6.373 129.134 122.820 -0.098 0.000 2.280 1295 A HA 0.758 5.026 4.320 -0.086 0.000 0.268 1295 A C 0.115 177.597 177.584 -0.170 0.000 1.111 1295 A CA -0.357 51.489 52.037 -0.319 0.000 0.814 1295 A CB 0.465 19.086 19.000 -0.633 0.000 1.093 1295 A HN 0.753 nan 8.150 nan 0.000 0.498 1296 R N 0.181 120.580 120.500 -0.169 0.000 2.750 1296 R HA 0.348 4.636 4.340 -0.086 0.000 0.281 1296 R C -1.071 175.311 176.300 0.136 0.000 0.972 1296 R CA -0.862 55.273 56.100 0.059 0.000 0.912 1296 R CB 1.441 31.882 30.300 0.236 0.000 1.187 1296 R HN 0.725 nan 8.270 nan 0.000 0.464 1297 K N 0.901 121.391 120.400 0.150 0.000 2.447 1297 K HA 0.171 4.439 4.320 -0.086 0.000 0.281 1297 K C 0.501 177.223 176.600 0.203 0.000 1.031 1297 K CA 0.321 56.688 56.287 0.133 0.000 1.019 1297 K CB 0.721 33.278 32.500 0.095 0.000 0.918 1297 K HN 0.753 nan 8.250 nan 0.000 0.476 1298 G N 1.047 109.949 108.800 0.171 0.000 2.971 1298 G HA2 0.301 4.209 3.960 -0.086 0.000 0.235 1298 G HA3 0.301 4.209 3.960 -0.086 0.000 0.235 1298 G C -0.980 173.976 174.900 0.093 0.000 1.351 1298 G CA -0.307 44.880 45.100 0.145 0.000 1.039 1298 G HN 0.456 nan 8.290 nan 0.000 0.563 1299 T N -0.891 113.714 114.554 0.084 0.000 2.856 1299 T HA 0.628 4.927 4.350 -0.086 0.000 0.283 1299 T C -0.353 174.381 174.700 0.057 0.000 1.008 1299 T CA -0.090 62.003 62.100 -0.010 0.000 0.997 1299 T CB 1.031 69.802 68.868 -0.162 0.000 0.992 1299 T HN 0.965 nan 8.240 nan 0.000 0.454 1300 A N 4.619 127.459 122.820 0.033 0.000 2.318 1300 A HA 0.881 5.149 4.320 -0.086 0.000 0.324 1300 A C -1.159 176.430 177.584 0.008 0.000 1.170 1300 A CA -0.539 51.524 52.037 0.043 0.000 0.810 1300 A CB 0.494 19.519 19.000 0.042 0.000 1.198 1300 A HN 0.815 nan 8.150 nan 0.000 0.484 1301 L N 0.994 122.223 121.223 0.011 0.000 2.479 1301 L HA 0.396 4.685 4.340 -0.086 0.000 0.255 1301 L C 0.419 177.286 176.870 -0.005 0.000 1.026 1301 L CA -1.055 53.777 54.840 -0.014 0.000 0.842 1301 L CB 1.590 43.625 42.059 -0.040 0.000 1.444 1301 L HN 0.819 nan 8.230 nan 0.000 0.409 1302 N N 0.714 119.400 118.700 -0.023 0.000 2.972 1302 N HA -0.208 4.480 4.740 -0.086 0.000 0.295 1302 N C -0.133 175.375 175.510 -0.004 0.000 1.162 1302 N CA 0.930 53.964 53.050 -0.027 0.000 0.895 1302 N CB -0.082 38.373 38.487 -0.054 0.000 1.022 1302 N HN 0.757 nan 8.380 nan 0.000 0.610 1303 C N 0.017 119.321 119.300 0.006 0.000 4.814 1303 C HA 0.093 4.502 4.460 -0.086 0.000 0.323 1303 C C 1.115 176.118 174.990 0.022 0.000 0.981 1303 C CA 0.280 59.310 59.018 0.020 0.000 2.138 1303 C CB -0.768 26.992 27.740 0.034 0.000 2.017 1303 C HN 0.694 nan 8.230 nan 0.000 0.368 1304 G N 1.660 110.476 108.800 0.027 0.000 2.321 1304 G HA2 0.355 4.264 3.960 -0.086 0.000 0.237 1304 G HA3 0.355 4.264 3.960 -0.086 0.000 0.237 1304 G C 0.823 175.735 174.900 0.020 0.000 1.282 1304 G CA 1.097 46.215 45.100 0.029 0.000 0.886 1304 G HN 1.152 nan 8.290 nan 0.000 0.528 1305 S N 0.637 116.349 115.700 0.020 0.000 2.818 1305 S HA 0.176 4.594 4.470 -0.086 0.000 0.251 1305 S C 1.914 176.521 174.600 0.011 0.000 1.083 1305 S CA 0.802 59.010 58.200 0.012 0.000 0.871 1305 S CB 0.364 63.570 63.200 0.010 0.000 0.831 1305 S HN 0.899 nan 8.310 nan 0.000 0.470 1306 G N 1.074 109.883 108.800 0.015 0.000 3.088 1306 G HA2 0.286 4.195 3.960 -0.086 0.000 0.217 1306 G HA3 0.286 4.195 3.960 -0.086 0.000 0.217 1306 G C 0.689 175.607 174.900 0.030 0.000 1.159 1306 G CA -0.205 44.901 45.100 0.011 0.000 0.760 1306 G HN 0.486 nan 8.290 nan 0.000 0.550 1307 I N 1.500 122.092 120.570 0.036 0.000 3.309 1307 I HA 0.181 4.300 4.170 -0.086 0.000 0.287 1307 I C -0.545 175.598 176.117 0.044 0.000 1.221 1307 I CA 0.442 61.770 61.300 0.046 0.000 1.575 1307 I CB -0.920 37.106 38.000 0.043 0.000 1.254 1307 I HN 0.074 nan 8.210 nan 0.000 0.600 1308 K N 1.836 122.264 120.400 0.047 0.000 2.695 1308 K HA 0.311 4.579 4.320 -0.086 0.000 0.255 1308 K C -0.325 176.307 176.600 0.054 0.000 1.016 1308 K CA -0.575 55.739 56.287 0.045 0.000 0.928 1308 K CB 1.787 34.304 32.500 0.029 0.000 1.235 1308 K HN -0.003 nan 8.250 nan 0.000 0.467 1309 E N 2.307 122.555 120.200 0.079 0.000 2.626 1309 E HA 0.055 4.353 4.350 -0.086 0.000 0.198 1309 E C -0.171 176.490 176.600 0.101 0.000 0.943 1309 E CA -0.070 56.385 56.400 0.092 0.000 1.515 1309 E CB 0.831 30.611 29.700 0.133 0.000 1.677 1309 E HN 0.489 nan 8.360 nan 0.000 0.897 1310 L N 2.136 123.419 121.223 0.100 0.000 2.922 1310 L HA 0.219 4.508 4.340 -0.086 0.000 0.244 1310 L C 0.825 177.731 176.870 0.059 0.000 1.324 1310 L CA 1.375 56.267 54.840 0.087 0.000 1.172 1310 L CB -1.492 40.611 42.059 0.074 0.000 1.545 1310 L HN 0.293 nan 8.230 nan 0.000 0.438 1311 G N 1.128 109.959 108.800 0.051 0.000 2.574 1311 G HA2 -0.343 3.566 3.960 -0.086 0.000 0.282 1311 G HA3 -0.343 3.566 3.960 -0.086 0.000 0.282 1311 G C 0.361 175.280 174.900 0.032 0.000 1.257 1311 G CA 0.133 45.256 45.100 0.037 0.000 0.956 1311 G HN 0.454 nan 8.290 nan 0.000 0.560 1312 D N 0.813 121.229 120.400 0.026 0.000 2.885 1312 D HA 0.186 4.774 4.640 -0.086 0.000 0.234 1312 D C 1.487 177.802 176.300 0.026 0.000 1.129 1312 D CA -0.293 53.720 54.000 0.023 0.000 0.991 1312 D CB -0.203 40.608 40.800 0.019 0.000 1.137 1312 D HN 0.347 nan 8.370 nan 0.000 0.459 1313 I N 1.007 121.595 120.570 0.030 0.000 3.686 1313 I HA 0.011 4.129 4.170 -0.086 0.000 0.308 1313 I C 0.731 176.865 176.117 0.028 0.000 1.254 1313 I CA -0.141 61.178 61.300 0.033 0.000 1.175 1313 I CB -0.771 37.252 38.000 0.038 0.000 1.009 1313 I HN -0.094 nan 8.210 nan 0.000 0.459 1314 K N -0.013 120.401 120.400 0.023 0.000 2.550 1314 K HA -0.026 4.243 4.320 -0.086 0.000 0.280 1314 K C 0.714 177.325 176.600 0.018 0.000 0.987 1314 K CA 0.926 57.223 56.287 0.018 0.000 1.048 1314 K CB 0.565 33.073 32.500 0.013 0.000 0.879 1314 K HN 0.267 nan 8.250 nan 0.000 0.491 1315 T N 3.303 117.867 114.554 0.016 0.000 3.413 1315 T HA 0.023 4.321 4.350 -0.086 0.000 0.187 1315 T C 1.188 175.892 174.700 0.007 0.000 0.961 1315 T CA -0.533 61.578 62.100 0.017 0.000 1.085 1315 T CB -0.316 68.567 68.868 0.024 0.000 1.345 1315 T HN 0.327 nan 8.240 nan 0.000 0.326 1316 L N 1.695 122.918 121.223 0.001 0.000 2.005 1316 L HA 0.062 4.350 4.340 -0.086 0.000 0.207 1316 L C 2.362 179.222 176.870 -0.017 0.000 1.072 1316 L CA 2.210 57.042 54.840 -0.013 0.000 0.744 1316 L CB -0.789 41.254 42.059 -0.027 0.000 0.895 1316 L HN 0.343 nan 8.230 nan 0.000 0.433 1317 E N -0.530 119.661 120.200 -0.016 0.000 2.158 1317 E HA -0.060 4.238 4.350 -0.086 0.000 0.191 1317 E C 2.044 178.636 176.600 -0.013 0.000 0.982 1317 E CA 0.985 57.373 56.400 -0.019 0.000 0.823 1317 E CB -0.371 29.317 29.700 -0.020 0.000 0.766 1317 E HN 0.415 nan 8.360 nan 0.000 0.468 1318 G N 0.304 109.101 108.800 -0.006 0.000 2.469 1318 G HA2 -0.254 3.654 3.960 -0.086 0.000 0.220 1318 G HA3 -0.254 3.654 3.960 -0.086 0.000 0.220 1318 G C 1.344 176.242 174.900 -0.004 0.000 1.136 1318 G CA 1.201 46.300 45.100 -0.002 0.000 0.759 1318 G HN 0.196 nan 8.290 nan 0.000 0.562 1319 E N -0.958 119.239 120.200 -0.005 0.000 2.720 1319 E HA 0.405 4.703 4.350 -0.086 0.000 0.260 1319 E C 1.320 177.913 176.600 -0.011 0.000 0.967 1319 E CA 0.850 57.246 56.400 -0.006 0.000 1.055 1319 E CB -0.266 29.434 29.700 -0.001 0.000 2.411 1319 E HN 0.317 nan 8.360 nan 0.000 0.570 1320 G N 0.965 109.756 108.800 -0.014 0.000 4.445 1320 G HA2 0.138 4.046 3.960 -0.086 0.000 0.228 1320 G HA3 0.138 4.046 3.960 -0.086 0.000 0.228 1320 G C -0.559 174.327 174.900 -0.024 0.000 2.381 1320 G CA -0.519 44.568 45.100 -0.021 0.000 0.984 1320 G HN 0.012 nan 8.290 nan 0.000 0.427 1321 L N 0.777 121.986 121.223 -0.023 0.000 2.461 1321 L HA 0.662 4.951 4.340 -0.086 0.000 0.259 1321 L C 1.092 177.939 176.870 -0.039 0.000 1.248 1321 L CA 0.485 55.309 54.840 -0.026 0.000 0.823 1321 L CB 1.188 43.233 42.059 -0.023 0.000 1.111 1321 L HN 0.197 nan 8.230 nan 0.000 0.516 1322 S N -0.175 115.500 115.700 -0.042 0.000 2.617 1322 S HA 0.264 4.682 4.470 -0.086 0.000 0.283 1322 S C 0.921 175.477 174.600 -0.073 0.000 1.189 1322 S CA -0.746 57.420 58.200 -0.057 0.000 1.036 1322 S CB 0.917 64.087 63.200 -0.051 0.000 1.014 1322 S HN 0.556 nan 8.310 nan 0.000 0.522 1323 L N 3.830 124.995 121.223 -0.098 0.000 1.997 1323 L HA -0.110 4.178 4.340 -0.086 0.000 0.216 1323 L C 2.478 179.276 176.870 -0.120 0.000 1.074 1323 L CA 2.706 57.468 54.840 -0.130 0.000 0.763 1323 L CB -1.694 40.262 42.059 -0.171 0.000 0.890 1323 L HN 0.866 nan 8.230 nan 0.000 0.434 1324 A N -1.822 120.937 122.820 -0.101 0.000 2.121 1324 A HA -0.172 4.096 4.320 -0.086 0.000 0.218 1324 A C 2.209 179.767 177.584 -0.042 0.000 1.154 1324 A CA 1.426 53.420 52.037 -0.072 0.000 0.679 1324 A CB -0.390 18.576 19.000 -0.057 0.000 0.795 1324 A HN 0.594 nan 8.150 nan 0.000 0.458 1325 E N -0.701 119.472 120.200 -0.044 0.000 2.042 1325 E HA -0.107 4.191 4.350 -0.086 0.000 0.189 1325 E C 2.025 178.610 176.600 -0.026 0.000 0.974 1325 E CA 1.176 57.560 56.400 -0.026 0.000 0.806 1325 E CB -0.174 29.511 29.700 -0.024 0.000 0.769 1325 E HN 0.701 nan 8.360 nan 0.000 0.451 1326 M N 0.355 119.927 119.600 -0.047 0.000 2.073 1326 M HA -0.197 4.231 4.480 -0.086 0.000 0.258 1326 M C 2.361 178.627 176.300 -0.058 0.000 1.070 1326 M CA 1.270 56.535 55.300 -0.058 0.000 1.103 1326 M CB -0.580 31.965 32.600 -0.092 0.000 1.321 1326 M HN -0.052 nan 8.290 nan 0.000 0.405 1327 V N -0.152 119.724 119.914 -0.062 0.000 2.568 1327 V HA -0.278 3.791 4.120 -0.086 0.000 0.253 1327 V C 2.621 178.732 176.094 0.029 0.000 1.072 1327 V CA 2.097 64.386 62.300 -0.019 0.000 1.084 1327 V CB -0.728 31.089 31.823 -0.011 0.000 0.676 1327 V HN 0.618 nan 8.190 nan 0.000 0.469 1328 S N -0.474 115.235 115.700 0.016 0.000 2.335 1328 S HA -0.157 4.261 4.470 -0.086 0.000 0.217 1328 S C 2.199 176.816 174.600 0.028 0.000 1.032 1328 S CA 1.267 59.482 58.200 0.026 0.000 0.985 1328 S CB -0.168 63.041 63.200 0.016 0.000 0.896 1328 S HN 0.535 nan 8.310 nan 0.000 0.445 1329 R N 0.140 120.656 120.500 0.027 0.000 2.090 1329 R HA 0.093 4.381 4.340 -0.086 0.000 0.228 1329 R C 2.349 178.696 176.300 0.079 0.000 1.110 1329 R CA 1.295 57.426 56.100 0.051 0.000 0.973 1329 R CB -0.529 29.803 30.300 0.053 0.000 0.869 1329 R HN 0.470 nan 8.270 nan 0.000 0.440 1330 I N 0.915 121.514 120.570 0.049 0.000 2.091 1330 I HA -0.329 3.789 4.170 -0.086 0.000 0.239 1330 I C 2.289 178.465 176.117 0.098 0.000 1.061 1330 I CA 1.584 62.921 61.300 0.062 0.000 1.317 1330 I CB -0.238 37.714 38.000 -0.080 0.000 1.031 1330 I HN 0.255 nan 8.210 nan 0.000 0.401 1331 E N 0.037 120.263 120.200 0.044 0.000 2.338 1331 E HA -0.223 4.075 4.350 -0.086 0.000 0.197 1331 E C 1.873 178.461 176.600 -0.021 0.000 1.007 1331 E CA 0.629 57.031 56.400 0.003 0.000 0.849 1331 E CB 0.209 29.918 29.700 0.016 0.000 0.774 1331 E HN 0.319 nan 8.360 nan 0.000 0.506 1332 E N 1.180 121.389 120.200 0.015 0.000 2.001 1332 E HA -0.174 4.124 4.350 -0.086 0.000 0.193 1332 E C 1.607 178.203 176.600 -0.006 0.000 0.994 1332 E CA 1.324 57.734 56.400 0.016 0.000 0.815 1332 E CB -0.344 29.383 29.700 0.045 0.000 0.770 1332 E HN 0.302 nan 8.360 nan 0.000 0.453 1333 D N 0.282 120.698 120.400 0.027 0.000 2.190 1333 D HA -0.175 4.414 4.640 -0.086 0.000 0.200 1333 D C 2.154 178.248 176.300 -0.343 0.000 0.992 1333 D CA 0.812 54.813 54.000 0.002 0.000 0.854 1333 D CB -0.131 40.799 40.800 0.217 0.000 0.936 1333 D HN 0.234 nan 8.370 nan 0.000 0.462 1334 I N 1.003 121.240 120.570 -0.556 0.000 2.141 1334 I HA -0.253 3.865 4.170 -0.086 0.000 0.236 1334 I C 2.668 178.638 176.117 -0.246 0.000 1.071 1334 I CA 0.916 61.747 61.300 -0.782 0.000 1.345 1334 I CB -0.347 37.262 38.000 -0.653 0.000 1.066 1334 I HN -0.071 nan 8.210 nan 0.000 0.406 1335 K N 1.569 121.881 120.400 -0.146 0.000 2.071 1335 K HA -0.259 4.009 4.320 -0.086 0.000 0.217 1335 K C 2.024 178.606 176.600 -0.029 0.000 1.054 1335 K CA 2.744 58.992 56.287 -0.065 0.000 0.937 1335 K CB -0.232 32.241 32.500 -0.046 0.000 0.719 1335 K HN 0.272 nan 8.250 nan 0.000 0.454 1336 S N -0.171 115.524 115.700 -0.009 0.000 2.402 1336 S HA -0.097 4.321 4.470 -0.086 0.000 0.229 1336 S C 1.649 176.290 174.600 0.069 0.000 1.021 1336 S CA 1.052 59.270 58.200 0.029 0.000 0.974 1336 S CB -0.502 62.730 63.200 0.054 0.000 0.800 1336 S HN 0.458 nan 8.310 nan 0.000 0.484 1337 F N 3.195 123.108 119.950 -0.062 0.000 2.098 1337 F HA 0.275 4.750 4.527 -0.086 0.000 0.294 1337 F C 1.618 177.427 175.800 0.016 0.000 1.107 1337 F CA 0.211 58.225 58.000 0.023 0.000 1.234 1337 F CB -1.004 38.044 39.000 0.080 0.000 1.002 1337 F HN 0.188 nan 8.300 nan 0.000 0.472 1338 A N 0.834 123.649 122.820 -0.007 0.000 2.290 1338 A HA 0.222 4.491 4.320 -0.086 0.000 0.308 1338 A C 0.208 177.689 177.584 -0.171 0.000 1.246 1338 A CA 0.907 52.889 52.037 -0.091 0.000 0.929 1338 A CB -0.594 18.405 19.000 -0.003 0.000 1.125 1338 A HN 0.709 nan 8.150 nan 0.000 0.522 1339 D N -3.964 116.372 120.400 -0.107 0.000 5.010 1339 D HA -0.031 4.557 4.640 -0.086 0.000 0.373 1339 D C 0.096 176.361 176.300 -0.057 0.000 1.786 1339 D CA 0.106 54.050 54.000 -0.094 0.000 1.023 1339 D CB -0.859 39.861 40.800 -0.133 0.000 1.505 1339 D HN 0.254 nan 8.370 nan 0.000 0.663 1340 D N 0.233 120.600 120.400 -0.055 0.000 2.110 1340 D HA 0.033 4.621 4.640 -0.086 0.000 0.202 1340 D C 0.332 176.621 176.300 -0.019 0.000 0.975 1340 D CA 1.224 55.203 54.000 -0.035 0.000 0.839 1340 D CB 0.102 40.881 40.800 -0.035 0.000 0.996 1340 D HN 0.335 nan 8.370 nan 0.000 0.464 1341 E N -0.181 120.004 120.200 -0.025 0.000 2.462 1341 E HA 0.207 4.506 4.350 -0.086 0.000 0.255 1341 E C -0.796 175.822 176.600 0.029 0.000 1.311 1341 E CA -0.083 56.318 56.400 0.001 0.000 1.629 1341 E CB 0.810 30.498 29.700 -0.020 0.000 1.510 1341 E HN -0.083 nan 8.360 nan 0.000 0.438 1342 T N 0.514 115.098 114.554 0.049 0.000 2.794 1342 T HA 0.375 4.673 4.350 -0.086 0.000 0.280 1342 T C -0.431 174.372 174.700 0.171 0.000 0.987 1342 T CA -0.462 61.712 62.100 0.123 0.000 0.993 1342 T CB 1.510 70.451 68.868 0.121 0.000 0.939 1342 T HN -0.095 nan 8.240 nan 0.000 0.449 1343 V N 4.174 124.226 119.914 0.230 0.000 2.448 1343 V HA 0.392 4.460 4.120 -0.086 0.000 0.295 1343 V C -0.155 176.102 176.094 0.273 0.000 1.025 1343 V CA -0.773 61.664 62.300 0.228 0.000 0.859 1343 V CB 2.001 33.952 31.823 0.214 0.000 0.988 1343 V HN 0.658 nan 8.190 nan 0.000 0.431 1344 V N 6.993 127.073 119.914 0.276 0.000 2.334 1344 V HA 0.416 4.485 4.120 -0.086 0.000 0.267 1344 V C -0.094 176.156 176.094 0.260 0.000 1.040 1344 V CA -0.106 62.395 62.300 0.334 0.000 0.866 1344 V CB 1.099 33.153 31.823 0.386 0.000 1.019 1344 V HN 0.663 nan 8.190 nan 0.000 0.468 1345 I N 5.143 125.820 120.570 0.178 0.000 2.339 1345 I HA 0.319 4.437 4.170 -0.086 0.000 0.290 1345 I C 0.255 176.396 176.117 0.039 0.000 0.994 1345 I CA -0.192 61.135 61.300 0.046 0.000 1.191 1345 I CB 1.552 39.559 38.000 0.012 0.000 1.343 1345 I HN 0.657 nan 8.210 nan 0.000 0.458 1346 N N 6.459 125.157 118.700 -0.002 0.000 2.462 1346 N HA 0.261 4.949 4.740 -0.086 0.000 0.242 1346 N C -0.836 174.698 175.510 0.041 0.000 1.010 1346 N CA -0.290 52.788 53.050 0.047 0.000 0.939 1346 N CB 1.423 40.011 38.487 0.168 0.000 1.127 1346 N HN 0.336 nan 8.380 nan 0.000 0.509 1347 V N 3.248 123.149 119.914 -0.023 0.000 2.666 1347 V HA 0.680 4.748 4.120 -0.086 0.000 0.306 1347 V C -0.161 175.911 176.094 -0.037 0.000 1.156 1347 V CA -0.066 62.214 62.300 -0.034 0.000 1.274 1347 V CB -0.667 31.035 31.823 -0.201 0.000 1.536 1347 V HN 0.865 nan 8.190 nan 0.000 0.640 1348 A N 0.722 123.544 122.820 0.004 0.000 2.468 1348 A HA 0.855 5.123 4.320 -0.086 0.000 0.277 1348 A C 0.567 178.176 177.584 0.042 0.000 1.203 1348 A CA -0.372 51.660 52.037 -0.009 0.000 0.932 1348 A CB 1.114 20.091 19.000 -0.038 0.000 1.438 1348 A HN 0.460 nan 8.150 nan 0.000 0.468 1349 S N -0.381 115.340 115.700 0.036 0.000 2.563 1349 S HA 0.236 4.655 4.470 -0.086 0.000 0.269 1349 S C 0.248 174.892 174.600 0.073 0.000 1.364 1349 S CA 0.286 58.520 58.200 0.056 0.000 1.010 1349 S CB 0.083 63.313 63.200 0.050 0.000 0.877 1349 S HN 0.646 nan 8.310 nan 0.000 0.549 1350 T N 2.814 117.410 114.554 0.071 0.000 2.744 1350 T HA 0.273 4.572 4.350 -0.086 0.000 0.291 1350 T C 0.201 174.938 174.700 0.060 0.000 0.957 1350 T CA -0.597 61.542 62.100 0.066 0.000 1.002 1350 T CB 0.373 69.273 68.868 0.055 0.000 0.919 1350 T HN 0.645 nan 8.240 nan 0.000 0.468 1351 E N 4.993 125.232 120.200 0.064 0.000 2.283 1351 E HA 0.473 4.771 4.350 -0.086 0.000 0.267 1351 E C -2.536 174.092 176.600 0.046 0.000 1.045 1351 E CA -2.218 54.217 56.400 0.058 0.000 0.884 1351 E CB 0.851 30.592 29.700 0.069 0.000 1.106 1351 E HN 0.237 nan 8.360 nan 0.000 0.408 1352 P HA 0.019 nan 4.420 nan 0.000 0.302 1352 P C -0.244 177.077 177.300 0.036 0.000 1.301 1352 P CA -0.562 62.559 63.100 0.034 0.000 0.745 1352 P CB 0.398 32.117 31.700 0.031 0.000 1.331 1353 L N 1.571 122.815 121.223 0.035 0.000 2.433 1353 L HA 0.199 4.487 4.340 -0.086 0.000 0.275 1353 L C -1.622 175.284 176.870 0.059 0.000 1.128 1353 L CA -0.955 53.910 54.840 0.040 0.000 0.875 1353 L CB -0.931 41.151 42.059 0.038 0.000 1.171 1353 L HN 0.265 nan 8.230 nan 0.000 0.463 1354 P HA 0.081 nan 4.420 nan 0.000 0.273 1354 P C -0.817 176.575 177.300 0.154 0.000 1.319 1354 P CA -0.599 62.552 63.100 0.086 0.000 0.885 1354 P CB -0.175 31.555 31.700 0.050 0.000 1.015 1355 N N 2.731 121.534 118.700 0.171 0.000 2.328 1355 N HA -0.163 4.525 4.740 -0.086 0.000 0.290 1355 N C -0.172 175.571 175.510 0.387 0.000 1.355 1355 N CA -0.303 52.891 53.050 0.239 0.000 1.009 1355 N CB -0.566 38.038 38.487 0.195 0.000 1.426 1355 N HN 0.348 nan 8.380 nan 0.000 0.488 1356 Y N 2.408 122.845 120.300 0.228 0.000 2.610 1356 Y HA 0.108 4.606 4.550 -0.086 0.000 0.332 1356 Y C 0.252 176.328 175.900 0.293 0.000 1.201 1356 Y CA -0.542 57.739 58.100 0.302 0.000 1.465 1356 Y CB 0.657 39.221 38.460 0.173 0.000 1.283 1356 Y HN 0.568 nan 8.280 nan 0.000 0.563 1357 S N 4.421 119.967 115.700 -0.257 0.000 2.474 1357 S HA 0.285 4.703 4.470 -0.086 0.000 0.321 1357 S C 0.204 174.204 174.600 -1.001 0.000 1.080 1357 S CA -0.696 57.104 58.200 -0.667 0.000 1.106 1357 S CB 0.460 63.197 63.200 -0.770 0.000 0.984 1357 S HN 0.765 nan 8.310 nan 0.000 0.464 1358 E N 3.051 122.770 120.200 -0.801 0.000 2.409 1358 E HA -0.034 4.264 4.350 -0.086 0.000 0.198 1358 E C 0.945 177.299 176.600 -0.409 0.000 1.024 1358 E CA 0.737 56.819 56.400 -0.528 0.000 0.861 1358 E CB 0.147 29.689 29.700 -0.264 0.000 0.788 1358 E HN 0.629 nan 8.360 nan 0.000 0.521 1359 E N -0.843 119.008 120.200 -0.582 0.000 2.465 1359 E HA 0.073 4.372 4.350 -0.086 0.000 0.209 1359 E C 0.923 177.120 176.600 -0.671 0.000 0.951 1359 E CA 0.372 56.397 56.400 -0.627 0.000 0.997 1359 E CB 0.162 29.370 29.700 -0.819 0.000 1.025 1359 E HN 0.460 nan 8.360 nan 0.000 0.500 1360 Y N -0.375 119.623 120.300 -0.503 0.000 2.609 1360 Y HA 0.146 4.644 4.550 -0.086 0.000 0.281 1360 Y C 1.952 177.635 175.900 -0.361 0.000 1.132 1360 Y CA 0.209 57.995 58.100 -0.523 0.000 1.264 1360 Y CB 0.487 38.445 38.460 -0.836 0.000 1.325 1360 Y HN 0.083 nan 8.280 nan 0.000 0.514 1361 H N -1.160 117.970 119.070 0.101 0.000 2.586 1361 H HA 0.254 4.759 4.556 -0.086 0.000 0.273 1361 H C 1.909 177.379 175.328 0.237 0.000 0.997 1361 H CA 0.644 56.846 56.048 0.257 0.000 1.177 1361 H CB 0.096 30.083 29.762 0.376 0.000 1.471 1361 H HN 0.407 nan 8.280 nan 0.000 0.538 1362 G N 1.000 109.893 108.800 0.154 0.000 2.650 1362 G HA2 0.001 3.909 3.960 -0.086 0.000 0.214 1362 G HA3 0.001 3.909 3.960 -0.086 0.000 0.214 1362 G C 0.390 175.359 174.900 0.114 0.000 1.136 1362 G CA 0.573 45.767 45.100 0.157 0.000 0.789 1362 G HN 0.419 nan 8.290 nan 0.000 0.536 1363 S N -1.784 113.982 115.700 0.110 0.000 2.611 1363 S HA 0.386 4.804 4.470 -0.086 0.000 0.268 1363 S C 0.323 174.997 174.600 0.124 0.000 1.156 1363 S CA -0.765 57.488 58.200 0.089 0.000 0.817 1363 S CB 1.019 64.249 63.200 0.049 0.000 1.122 1363 S HN -0.125 nan 8.310 nan 0.000 0.466 1364 L N 1.385 122.669 121.223 0.101 0.000 2.093 1364 L HA 0.042 4.330 4.340 -0.086 0.000 0.208 1364 L C 2.629 179.588 176.870 0.148 0.000 1.085 1364 L CA 1.693 56.611 54.840 0.130 0.000 0.755 1364 L CB -1.047 41.061 42.059 0.081 0.000 0.904 1364 L HN 0.844 nan 8.230 nan 0.000 0.435 1365 E N 0.453 120.710 120.200 0.096 0.000 2.058 1365 E HA -0.178 4.121 4.350 -0.086 0.000 0.194 1365 E C 2.272 178.931 176.600 0.097 0.000 0.997 1365 E CA 1.255 57.703 56.400 0.079 0.000 0.801 1365 E CB -0.773 28.953 29.700 0.042 0.000 0.746 1365 E HN 0.501 nan 8.360 nan 0.000 0.450 1366 G N 1.748 110.607 108.800 0.099 0.000 2.739 1366 G HA2 -0.341 3.567 3.960 -0.086 0.000 0.216 1366 G HA3 -0.341 3.567 3.960 -0.086 0.000 0.216 1366 G C 1.343 176.352 174.900 0.183 0.000 1.298 1366 G CA 1.083 46.261 45.100 0.130 0.000 0.804 1366 G HN 0.264 nan 8.290 nan 0.000 0.623 1367 F N 1.463 121.446 119.950 0.055 0.000 2.087 1367 F HA -0.149 4.327 4.527 -0.086 0.000 0.299 1367 F C 2.750 178.518 175.800 -0.053 0.000 1.100 1367 F CA 2.444 60.455 58.000 0.018 0.000 1.226 1367 F CB -0.175 38.876 39.000 0.085 0.000 0.983 1367 F HN 0.314 nan 8.300 nan 0.000 0.479 1368 E N -0.705 119.643 120.200 0.246 0.000 2.268 1368 E HA -0.213 4.085 4.350 -0.086 0.000 0.195 1368 E C 2.290 178.897 176.600 0.011 0.000 0.995 1368 E CA 0.690 57.169 56.400 0.133 0.000 0.836 1368 E CB -0.024 29.785 29.700 0.182 0.000 0.763 1368 E HN 0.349 nan 8.360 nan 0.000 0.491 1369 R N 0.050 120.559 120.500 0.015 0.000 2.090 1369 R HA 0.003 4.291 4.340 -0.086 0.000 0.219 1369 R C 2.480 178.710 176.300 -0.118 0.000 1.100 1369 R CA 0.954 57.048 56.100 -0.009 0.000 0.991 1369 R CB -0.095 30.243 30.300 0.062 0.000 0.893 1369 R HN 0.196 nan 8.270 nan 0.000 0.443 1370 M N 0.263 119.719 119.600 -0.241 0.000 2.082 1370 M HA -0.206 4.223 4.480 -0.086 0.000 0.258 1370 M C 1.969 178.020 176.300 -0.416 0.000 1.069 1370 M CA 1.850 56.832 55.300 -0.530 0.000 1.102 1370 M CB -0.306 31.825 32.600 -0.783 0.000 1.336 1370 M HN 0.250 nan 8.290 nan 0.000 0.404 1371 I N 0.684 120.991 120.570 -0.439 0.000 2.423 1371 I HA -0.314 3.805 4.170 -0.086 0.000 0.254 1371 I C 1.939 177.917 176.117 -0.231 0.000 1.151 1371 I CA 1.785 62.848 61.300 -0.395 0.000 1.421 1371 I CB -0.302 37.432 38.000 -0.443 0.000 1.079 1371 I HN 0.480 nan 8.210 nan 0.000 0.431 1372 D N -0.173 120.126 120.400 -0.169 0.000 2.259 1372 D HA -0.062 4.526 4.640 -0.086 0.000 0.216 1372 D C 1.478 177.717 176.300 -0.102 0.000 0.961 1372 D CA 0.650 54.588 54.000 -0.104 0.000 0.878 1372 D CB 0.169 40.934 40.800 -0.058 0.000 1.009 1372 D HN 0.451 nan 8.370 nan 0.000 0.490 1373 E N 1.040 121.169 120.200 -0.118 0.000 2.512 1373 E HA -0.049 4.249 4.350 -0.086 0.000 0.195 1373 E C -0.455 176.070 176.600 -0.124 0.000 1.083 1373 E CA -0.043 56.298 56.400 -0.098 0.000 0.873 1373 E CB 0.018 29.674 29.700 -0.073 0.000 0.897 1373 E HN 0.146 nan 8.360 nan 0.000 0.514 1374 D N 1.409 121.715 120.400 -0.157 0.000 2.904 1374 D HA -0.170 4.418 4.640 -0.086 0.000 0.231 1374 D C -0.360 175.836 176.300 -0.173 0.000 1.185 1374 D CA 0.305 54.209 54.000 -0.159 0.000 0.783 1374 D CB -0.174 40.559 40.800 -0.111 0.000 0.961 1374 D HN -0.043 nan 8.370 nan 0.000 0.409 1375 R N 1.686 122.037 120.500 -0.249 0.000 3.782 1375 R HA 0.144 4.432 4.340 -0.086 0.000 0.291 1375 R C 1.575 177.753 176.300 -0.203 0.000 1.539 1375 R CA -0.266 55.693 56.100 -0.235 0.000 1.345 1375 R CB 0.060 30.096 30.300 -0.440 0.000 1.408 1375 R HN 0.404 nan 8.270 nan 0.000 0.654 1376 K N 0.945 121.234 120.400 -0.185 0.000 2.184 1376 K HA -0.282 3.986 4.320 -0.086 0.000 0.210 1376 K C 1.095 177.599 176.600 -0.161 0.000 1.048 1376 K CA 2.398 58.587 56.287 -0.163 0.000 0.931 1376 K CB 0.271 32.692 32.500 -0.133 0.000 0.718 1376 K HN 0.329 nan 8.250 nan 0.000 0.465 1377 E N -0.878 119.187 120.200 -0.226 0.000 2.077 1377 E HA -0.190 4.109 4.350 -0.086 0.000 0.193 1377 E C 1.403 177.845 176.600 -0.264 0.000 0.989 1377 E CA 1.497 57.721 56.400 -0.293 0.000 0.800 1377 E CB -0.243 29.182 29.700 -0.459 0.000 0.746 1377 E HN 0.480 nan 8.360 nan 0.000 0.452 1378 Y N 0.553 120.827 120.300 -0.044 0.000 2.553 1378 Y HA 0.265 4.763 4.550 -0.086 0.000 0.303 1378 Y C 0.496 176.457 175.900 0.102 0.000 1.194 1378 Y CA -0.141 58.006 58.100 0.077 0.000 1.305 1378 Y CB 0.068 38.568 38.460 0.068 0.000 1.045 1378 Y HN -0.043 nan 8.280 nan 0.000 0.514 1379 A N -0.148 122.708 122.820 0.059 0.000 2.304 1379 A HA 0.658 4.926 4.320 -0.086 0.000 0.323 1379 A C -0.229 177.350 177.584 -0.007 0.000 1.195 1379 A CA -0.457 51.571 52.037 -0.015 0.000 0.826 1379 A CB 1.048 19.958 19.000 -0.151 0.000 1.184 1379 A HN 0.056 nan 8.150 nan 0.000 0.496 1380 S N 0.621 116.334 115.700 0.021 0.000 2.526 1380 S HA 0.550 4.968 4.470 -0.086 0.000 0.293 1380 S C 1.213 175.826 174.600 0.023 0.000 1.092 1380 S CA 0.062 58.279 58.200 0.028 0.000 0.980 1380 S CB 1.555 64.788 63.200 0.056 0.000 1.048 1380 S HN 1.532 nan 8.310 nan 0.000 0.483 1381 A N 2.682 125.511 122.820 0.014 0.000 1.997 1381 A HA -0.143 4.125 4.320 -0.086 0.000 0.221 1381 A C 2.137 179.736 177.584 0.024 0.000 1.172 1381 A CA 2.660 54.674 52.037 -0.039 0.000 0.645 1381 A CB -1.010 18.045 19.000 0.091 0.000 0.813 1381 A HN 1.095 nan 8.150 nan 0.000 0.454 1382 S N -0.806 115.019 115.700 0.209 0.000 2.458 1382 S HA -0.027 4.391 4.470 -0.086 0.000 0.223 1382 S C 1.968 176.709 174.600 0.236 0.000 1.019 1382 S CA 1.039 59.454 58.200 0.358 0.000 0.937 1382 S CB -0.557 62.830 63.200 0.311 0.000 0.788 1382 S HN 0.540 nan 8.310 nan 0.000 0.511 1383 M N 1.525 121.224 119.600 0.165 0.000 2.082 1383 M HA -0.066 4.362 4.480 -0.086 0.000 0.258 1383 M C 2.219 178.624 176.300 0.176 0.000 1.069 1383 M CA 1.345 56.748 55.300 0.172 0.000 1.102 1383 M CB -1.152 31.647 32.600 0.331 0.000 1.336 1383 M HN 0.283 nan 8.290 nan 0.000 0.404 1384 L N -0.381 120.926 121.223 0.139 0.000 1.951 1384 L HA -0.281 4.007 4.340 -0.086 0.000 0.222 1384 L C 2.661 179.546 176.870 0.025 0.000 1.078 1384 L CA 2.305 57.156 54.840 0.018 0.000 0.778 1384 L CB -1.148 40.742 42.059 -0.282 0.000 0.893 1384 L HN 0.274 nan 8.230 nan 0.000 0.436 1385 Y N -0.538 119.821 120.300 0.098 0.000 2.256 1385 Y HA -0.231 4.267 4.550 -0.086 0.000 0.288 1385 Y C 2.552 178.441 175.900 -0.018 0.000 1.155 1385 Y CA 0.917 59.084 58.100 0.111 0.000 1.203 1385 Y CB -0.513 38.080 38.460 0.221 0.000 0.980 1385 Y HN 0.258 nan 8.280 nan 0.000 0.530 1386 A N -0.872 121.897 122.820 -0.085 0.000 1.968 1386 A HA -0.177 4.091 4.320 -0.086 0.000 0.217 1386 A C 1.939 179.306 177.584 -0.362 0.000 1.169 1386 A CA 1.088 52.699 52.037 -0.710 0.000 0.638 1386 A CB -1.055 17.369 19.000 -0.960 0.000 0.812 1386 A HN 0.600 nan 8.150 nan 0.000 0.446 1387 Y N 0.653 120.795 120.300 -0.263 0.000 2.089 1387 Y HA -0.090 4.408 4.550 -0.087 0.000 0.282 1387 Y C 2.681 178.513 175.900 -0.113 0.000 1.139 1387 Y CA 1.652 59.632 58.100 -0.199 0.000 1.123 1387 Y CB -0.532 37.894 38.460 -0.058 0.000 0.980 1387 Y HN 0.303 nan 8.280 nan 0.000 0.493 1388 A N 0.882 123.745 122.820 0.073 0.000 1.865 1388 A HA -0.227 4.041 4.320 -0.086 0.000 0.217 1388 A C 2.433 179.962 177.584 -0.093 0.000 1.191 1388 A CA 2.455 54.484 52.037 -0.013 0.000 0.623 1388 A CB -1.746 17.302 19.000 0.079 0.000 0.826 1388 A HN 0.692 nan 8.150 nan 0.000 0.444 1389 A N -0.412 122.382 122.820 -0.044 0.000 1.873 1389 A HA -0.157 4.111 4.320 -0.086 0.000 0.218 1389 A C 2.256 179.799 177.584 -0.068 0.000 1.193 1389 A CA 1.784 53.810 52.037 -0.017 0.000 0.629 1389 A CB -0.761 18.292 19.000 0.088 0.000 0.826 1389 A HN 0.498 nan 8.150 nan 0.000 0.447 1390 L N -1.259 119.875 121.223 -0.148 0.000 2.017 1390 L HA -0.187 4.102 4.340 -0.086 0.000 0.208 1390 L C 2.652 179.395 176.870 -0.212 0.000 1.073 1390 L CA 1.962 56.696 54.840 -0.178 0.000 0.745 1390 L CB -0.395 41.507 42.059 -0.262 0.000 0.894 1390 L HN 0.407 nan 8.230 nan 0.000 0.432 1391 K N 0.421 120.629 120.400 -0.320 0.000 2.281 1391 K HA -0.136 4.133 4.320 -0.086 0.000 0.203 1391 K C 1.770 178.253 176.600 -0.195 0.000 1.046 1391 K CA 1.117 57.200 56.287 -0.339 0.000 0.938 1391 K CB -0.059 32.099 32.500 -0.570 0.000 0.737 1391 K HN 0.247 nan 8.250 nan 0.000 0.458 1392 L N -0.988 120.146 121.223 -0.147 0.000 2.591 1392 L HA 0.177 4.465 4.340 -0.086 0.000 0.228 1392 L C 0.946 177.776 176.870 -0.067 0.000 1.133 1392 L CA 0.395 55.181 54.840 -0.091 0.000 0.880 1392 L CB -0.072 41.944 42.059 -0.072 0.000 1.033 1392 L HN 0.515 nan 8.230 nan 0.000 0.450 1393 G N 1.067 109.822 108.800 -0.076 0.000 2.160 1393 G HA2 -0.265 3.643 3.960 -0.086 0.000 0.244 1393 G HA3 -0.265 3.643 3.960 -0.086 0.000 0.244 1393 G C -0.022 174.871 174.900 -0.013 0.000 1.022 1393 G CA -0.106 44.964 45.100 -0.051 0.000 0.741 1393 G HN 0.253 nan 8.290 nan 0.000 0.508 1394 L N 0.030 121.256 121.223 0.005 0.000 2.309 1394 L HA 0.516 4.804 4.340 -0.086 0.000 0.282 1394 L C -1.854 175.081 176.870 0.108 0.000 1.036 1394 L CA -2.564 52.312 54.840 0.060 0.000 0.806 1394 L CB 1.349 43.454 42.059 0.077 0.000 1.220 1394 L HN -0.157 nan 8.230 nan 0.000 0.429 1395 P HA -0.021 nan 4.420 nan 0.000 0.268 1395 P C -1.490 175.976 177.300 0.276 0.000 1.208 1395 P CA 0.225 63.438 63.100 0.187 0.000 0.777 1395 P CB 0.289 32.094 31.700 0.174 0.000 0.875 1396 Y N 1.429 121.812 120.300 0.139 0.000 2.499 1396 Y HA 0.670 5.169 4.550 -0.086 0.000 0.347 1396 Y C -1.153 174.825 175.900 0.130 0.000 0.987 1396 Y CA -1.174 57.013 58.100 0.144 0.000 1.044 1396 Y CB 1.701 40.251 38.460 0.150 0.000 1.245 1396 Y HN 0.500 nan 8.280 nan 0.000 0.461 1397 A N 4.361 126.770 122.820 -0.684 0.000 2.437 1397 A HA 0.459 4.727 4.320 -0.086 0.000 0.293 1397 A C -1.808 175.408 177.584 -0.614 0.000 1.038 1397 A CA -0.851 50.901 52.037 -0.476 0.000 0.708 1397 A CB 0.956 19.912 19.000 -0.074 0.000 1.251 1397 A HN 0.796 nan 8.150 nan 0.000 0.409 1398 N N 1.765 120.199 118.700 -0.444 0.000 2.527 1398 N HA 0.387 5.076 4.740 -0.086 0.000 0.236 1398 N C -0.158 175.418 175.510 0.110 0.000 0.999 1398 N CA -0.457 52.479 53.050 -0.190 0.000 0.935 1398 N CB 0.213 38.622 38.487 -0.131 0.000 1.132 1398 N HN 0.553 nan 8.380 nan 0.000 0.511 1399 F N 2.436 122.447 119.950 0.101 0.000 2.780 1399 F HA 0.088 4.563 4.527 -0.087 0.000 0.299 1399 F C 1.289 177.157 175.800 0.113 0.000 1.146 1399 F CA 0.217 58.328 58.000 0.184 0.000 1.428 1399 F CB 0.141 39.174 39.000 0.056 0.000 1.115 1399 F HN 0.419 nan 8.300 nan 0.000 0.583 1400 T N -2.385 112.256 114.554 0.144 0.000 2.923 1400 T HA 0.356 4.654 4.350 -0.086 0.000 0.281 1400 T C -2.131 172.580 174.700 0.019 0.000 0.995 1400 T CA -1.956 60.191 62.100 0.078 0.000 0.985 1400 T CB 1.508 70.442 68.868 0.110 0.000 1.114 1400 T HN -0.212 nan 8.240 nan 0.000 0.548 1401 P HA 0.191 nan 4.420 nan 0.000 0.257 1401 P C 0.404 177.713 177.300 0.015 0.000 1.281 1401 P CA -0.223 62.874 63.100 -0.004 0.000 0.826 1401 P CB -0.199 31.494 31.700 -0.011 0.000 1.237 1402 S N 1.149 116.875 115.700 0.043 0.000 2.572 1402 S HA 0.162 4.580 4.470 -0.086 0.000 0.279 1402 S C -1.063 173.572 174.600 0.059 0.000 1.341 1402 S CA -0.936 57.301 58.200 0.062 0.000 1.043 1402 S CB 0.190 63.449 63.200 0.099 0.000 0.887 1402 S HN -0.100 nan 8.310 nan 0.000 0.516 1403 P HA -0.046 nan 4.420 nan 0.000 0.214 1403 P C 1.538 178.888 177.300 0.083 0.000 1.169 1403 P CA 2.018 65.143 63.100 0.043 0.000 0.908 1403 P CB -1.055 30.664 31.700 0.032 0.000 0.791 1404 G N 0.043 108.926 108.800 0.138 0.000 2.672 1404 G HA2 -0.362 3.546 3.960 -0.086 0.000 0.332 1404 G HA3 -0.362 3.546 3.960 -0.086 0.000 0.332 1404 G C 0.936 175.932 174.900 0.160 0.000 1.213 1404 G CA 1.658 46.897 45.100 0.231 0.000 0.980 1404 G HN 0.669 nan 8.290 nan 0.000 0.548 1405 S N 0.901 116.754 115.700 0.255 0.000 2.552 1405 S HA 0.674 5.092 4.470 -0.086 0.000 0.246 1405 S C 1.622 176.312 174.600 0.151 0.000 1.019 1405 S CA 0.660 58.962 58.200 0.169 0.000 1.045 1405 S CB 0.630 64.031 63.200 0.335 0.000 0.784 1405 S HN 1.825 nan 8.310 nan 0.000 0.453 1406 A N 1.614 124.479 122.820 0.076 0.000 2.178 1406 A HA 0.374 4.643 4.320 -0.086 0.000 0.211 1406 A C 1.066 178.665 177.584 0.024 0.000 1.157 1406 A CA -0.107 51.943 52.037 0.022 0.000 0.780 1406 A CB -0.583 18.403 19.000 -0.024 0.000 0.828 1406 A HN 0.918 nan 8.150 nan 0.000 0.476 1407 I N -3.557 117.041 120.570 0.046 0.000 2.779 1407 I HA 0.268 4.386 4.170 -0.086 0.000 0.285 1407 I C -1.940 174.237 176.117 0.100 0.000 1.134 1407 I CA -1.839 59.518 61.300 0.095 0.000 1.398 1407 I CB 0.610 38.728 38.000 0.196 0.000 1.404 1407 I HN -0.148 nan 8.210 nan 0.000 0.587 1408 P HA -0.267 nan 4.420 nan 0.000 0.215 1408 P C 1.630 178.980 177.300 0.084 0.000 1.163 1408 P CA 2.607 65.773 63.100 0.110 0.000 0.894 1408 P CB -0.020 31.770 31.700 0.150 0.000 0.791 1409 A N -0.291 122.599 122.820 0.117 0.000 1.881 1409 A HA -0.245 4.023 4.320 -0.086 0.000 0.219 1409 A C 2.303 179.857 177.584 -0.051 0.000 1.215 1409 A CA 1.979 54.059 52.037 0.073 0.000 0.648 1409 A CB -1.735 17.361 19.000 0.160 0.000 0.832 1409 A HN 0.111 nan 8.150 nan 0.000 0.455 1410 L N -1.158 119.981 121.223 -0.139 0.000 2.056 1410 L HA -0.161 4.127 4.340 -0.086 0.000 0.207 1410 L C 2.582 179.354 176.870 -0.164 0.000 1.078 1410 L CA 2.104 56.818 54.840 -0.211 0.000 0.749 1410 L CB -0.849 41.069 42.059 -0.235 0.000 0.901 1410 L HN 0.501 nan 8.230 nan 0.000 0.433 1411 K N 0.078 120.454 120.400 -0.039 0.000 2.009 1411 K HA -0.238 4.031 4.320 -0.086 0.000 0.210 1411 K C 1.870 178.431 176.600 -0.064 0.000 1.049 1411 K CA 1.723 58.015 56.287 0.007 0.000 0.929 1411 K CB 0.046 32.621 32.500 0.124 0.000 0.714 1411 K HN 0.095 nan 8.250 nan 0.000 0.440 1412 E N 0.398 120.581 120.200 -0.029 0.000 2.347 1412 E HA -0.112 4.187 4.350 -0.086 0.000 0.196 1412 E C 1.436 177.999 176.600 -0.061 0.000 1.008 1412 E CA 0.411 56.795 56.400 -0.026 0.000 0.852 1412 E CB 0.098 29.801 29.700 0.005 0.000 0.783 1412 E HN 0.157 nan 8.360 nan 0.000 0.505 1413 L N -1.060 120.102 121.223 -0.102 0.000 2.509 1413 L HA 0.199 4.487 4.340 -0.086 0.000 0.222 1413 L C 1.640 178.396 176.870 -0.189 0.000 1.123 1413 L CA 0.692 55.452 54.840 -0.134 0.000 0.856 1413 L CB 0.093 42.059 42.059 -0.155 0.000 0.985 1413 L HN 0.087 nan 8.230 nan 0.000 0.456 1414 A N -1.293 121.384 122.820 -0.237 0.000 1.924 1414 A HA 0.041 4.309 4.320 -0.086 0.000 0.211 1414 A C 2.100 179.592 177.584 -0.154 0.000 1.198 1414 A CA 0.398 52.262 52.037 -0.289 0.000 0.657 1414 A CB -0.294 18.311 19.000 -0.659 0.000 0.852 1414 A HN 0.294 nan 8.150 nan 0.000 0.454 1415 E N 0.553 120.691 120.200 -0.103 0.000 2.058 1415 E HA -0.193 4.105 4.350 -0.086 0.000 0.194 1415 E C 1.883 178.458 176.600 -0.041 0.000 0.997 1415 E CA 1.120 57.496 56.400 -0.040 0.000 0.801 1415 E CB -0.257 29.435 29.700 -0.013 0.000 0.746 1415 E HN 0.495 nan 8.360 nan 0.000 0.450 1416 K N 0.552 120.921 120.400 -0.051 0.000 2.209 1416 K HA -0.120 4.148 4.320 -0.086 0.000 0.204 1416 K C 1.492 178.060 176.600 -0.052 0.000 1.048 1416 K CA 0.835 57.096 56.287 -0.045 0.000 0.940 1416 K CB 0.185 32.659 32.500 -0.044 0.000 0.729 1416 K HN -0.080 nan 8.250 nan 0.000 0.451 1417 K N -0.781 119.576 120.400 -0.072 0.000 2.393 1417 K HA 0.040 4.308 4.320 -0.086 0.000 0.193 1417 K C 0.757 177.325 176.600 -0.054 0.000 1.026 1417 K CA 0.719 56.962 56.287 -0.072 0.000 1.064 1417 K CB 0.582 33.021 32.500 -0.102 0.000 0.833 1417 K HN 0.372 nan 8.250 nan 0.000 0.521 1418 G N 1.745 110.519 108.800 -0.044 0.000 2.176 1418 G HA2 -0.226 3.682 3.960 -0.086 0.000 0.252 1418 G HA3 -0.226 3.682 3.960 -0.086 0.000 0.252 1418 G C 0.027 174.917 174.900 -0.017 0.000 1.024 1418 G CA 0.291 45.375 45.100 -0.026 0.000 0.755 1418 G HN 0.109 nan 8.290 nan 0.000 0.507 1419 V N 1.198 121.096 119.914 -0.027 0.000 2.532 1419 V HA 0.651 4.719 4.120 -0.086 0.000 0.295 1419 V C -1.870 174.254 176.094 0.050 0.000 1.041 1419 V CA -1.739 60.560 62.300 -0.001 0.000 0.926 1419 V CB 2.126 33.930 31.823 -0.032 0.000 0.992 1419 V HN 0.184 nan 8.190 nan 0.000 0.457 1420 P HA 0.432 nan 4.420 nan 0.000 0.297 1420 P C -1.407 176.055 177.300 0.270 0.000 1.319 1420 P CA -0.231 62.987 63.100 0.197 0.000 0.810 1420 P CB 0.425 32.230 31.700 0.176 0.000 0.947 1421 H N 1.197 120.314 119.070 0.079 0.000 2.717 1421 H HA 0.910 5.415 4.556 -0.086 0.000 0.366 1421 H C -1.553 173.784 175.328 0.015 0.000 1.132 1421 H CA -1.540 54.568 56.048 0.100 0.000 1.180 1421 H CB 1.934 31.799 29.762 0.172 0.000 1.678 1421 H HN 0.521 nan 8.280 nan 0.000 0.537 1422 A N 2.314 125.031 122.820 -0.172 0.000 2.560 1422 A HA 0.660 4.928 4.320 -0.086 0.000 0.300 1422 A C -0.318 176.943 177.584 -0.539 0.000 1.062 1422 A CA 0.013 51.833 52.037 -0.362 0.000 0.767 1422 A CB 0.993 19.846 19.000 -0.246 0.000 1.288 1422 A HN 1.470 nan 8.150 nan 0.000 0.396 1423 G N 0.824 109.111 108.800 -0.855 0.000 2.609 1423 G HA2 0.501 4.409 3.960 -0.086 0.000 0.082 1423 G HA3 0.501 4.409 3.960 -0.086 0.000 0.082 1423 G C -0.469 173.592 174.900 -1.399 0.000 1.075 1423 G CA 0.357 44.246 45.100 -2.017 0.000 1.172 1423 G HN 1.632 nan 8.290 nan 0.000 0.532 1424 N N 0.798 118.899 118.700 -0.997 0.000 3.433 1424 N HA -0.038 4.650 4.740 -0.086 0.000 0.258 1424 N C -1.321 174.181 175.510 -0.013 0.000 1.729 1424 N CA 0.750 53.612 53.050 -0.313 0.000 1.869 1424 N CB -0.337 38.007 38.487 -0.238 0.000 0.789 1424 N HN 1.000 nan 8.380 nan 0.000 0.499 1425 D N 0.438 120.881 120.400 0.071 0.000 4.847 1425 D HA -0.104 4.485 4.640 -0.086 0.000 0.237 1425 D C 0.536 176.717 176.300 -0.198 0.000 1.164 1425 D CA 1.667 55.631 54.000 -0.060 0.000 1.196 1425 D CB -0.638 40.117 40.800 -0.074 0.000 0.717 1425 D HN 0.652 nan 8.370 nan 0.000 0.348 1426 G N 3.542 111.817 108.800 -0.875 0.000 2.321 1426 G HA2 0.165 4.073 3.960 -0.086 0.000 0.237 1426 G HA3 0.165 4.073 3.960 -0.086 0.000 0.237 1426 G C 0.347 174.861 174.900 -0.643 0.000 1.282 1426 G CA 0.103 44.414 45.100 -1.314 0.000 0.886 1426 G HN 0.511 nan 8.290 nan 0.000 0.528 1427 K N 1.595 121.702 120.400 -0.488 0.000 2.356 1427 K HA 0.290 4.558 4.320 -0.086 0.000 0.243 1427 K C 1.428 177.845 176.600 -0.305 0.000 1.072 1427 K CA -0.119 55.959 56.287 -0.348 0.000 1.014 1427 K CB 0.265 32.566 32.500 -0.333 0.000 1.523 1427 K HN 0.542 nan 8.250 nan 0.000 0.455 1428 T N -0.371 114.046 114.554 -0.228 0.000 2.815 1428 T HA 0.175 4.473 4.350 -0.086 0.000 0.244 1428 T C 1.345 175.931 174.700 -0.189 0.000 1.040 1428 T CA 0.860 62.890 62.100 -0.117 0.000 1.176 1428 T CB 0.042 68.901 68.868 -0.015 0.000 0.880 1428 T HN 0.471 nan 8.240 nan 0.000 0.414 1429 G N -0.225 108.340 108.800 -0.392 0.000 2.641 1429 G HA2 0.186 4.095 3.960 -0.086 0.000 0.211 1429 G HA3 0.186 4.095 3.960 -0.086 0.000 0.211 1429 G C 1.262 175.383 174.900 -1.299 0.000 1.338 1429 G CA 0.526 44.979 45.100 -1.078 0.000 0.572 1429 G HN 0.426 nan 8.290 nan 0.000 1.023 1430 E N 0.811 120.461 120.200 -0.916 0.000 1.998 1430 E HA -0.138 4.160 4.350 -0.086 0.000 0.196 1430 E C 2.399 178.839 176.600 -0.266 0.000 1.003 1430 E CA 1.897 58.005 56.400 -0.488 0.000 0.829 1430 E CB -0.474 29.099 29.700 -0.212 0.000 0.777 1430 E HN 0.208 nan 8.360 nan 0.000 0.460 1431 T N 2.218 116.634 114.554 -0.230 0.000 2.714 1431 T HA -0.227 4.071 4.350 -0.086 0.000 0.268 1431 T C 1.820 176.376 174.700 -0.241 0.000 1.036 1431 T CA 1.476 63.450 62.100 -0.209 0.000 1.148 1431 T CB -0.407 68.342 68.868 -0.199 0.000 0.856 1431 T HN 0.177 nan 8.240 nan 0.000 0.462 1432 L N 1.073 122.107 121.223 -0.315 0.000 2.127 1432 L HA -0.035 4.254 4.340 -0.086 0.000 0.211 1432 L C 2.237 178.954 176.870 -0.254 0.000 1.089 1432 L CA 1.498 56.156 54.840 -0.303 0.000 0.757 1432 L CB -0.401 41.448 42.059 -0.349 0.000 0.899 1432 L HN 0.121 nan 8.230 nan 0.000 0.434 1433 V N -0.866 118.885 119.914 -0.271 0.000 2.788 1433 V HA -0.127 3.941 4.120 -0.086 0.000 0.251 1433 V C 2.514 178.554 176.094 -0.091 0.000 1.068 1433 V CA 1.343 63.512 62.300 -0.218 0.000 1.090 1433 V CB -0.620 31.016 31.823 -0.312 0.000 0.710 1433 V HN 0.429 nan 8.190 nan 0.000 0.467 1434 K N 0.849 121.227 120.400 -0.037 0.000 2.148 1434 K HA -0.152 4.116 4.320 -0.086 0.000 0.204 1434 K C 1.945 178.438 176.600 -0.179 0.000 1.050 1434 K CA 1.821 58.066 56.287 -0.070 0.000 0.942 1434 K CB -0.072 32.258 32.500 -0.283 0.000 0.724 1434 K HN 0.638 nan 8.250 nan 0.000 0.446 1435 T N -2.905 111.550 114.554 -0.165 0.000 3.105 1435 T HA 0.114 4.412 4.350 -0.086 0.000 0.253 1435 T C 1.034 175.669 174.700 -0.108 0.000 1.047 1435 T CA 0.120 62.132 62.100 -0.147 0.000 0.944 1435 T CB 0.571 69.356 68.868 -0.139 0.000 1.016 1435 T HN -0.053 nan 8.240 nan 0.000 0.544 1436 T N 0.852 115.341 114.554 -0.109 0.000 2.969 1436 T HA 0.351 4.649 4.350 -0.086 0.000 0.250 1436 T C 1.244 175.847 174.700 -0.162 0.000 1.021 1436 T CA -0.001 62.031 62.100 -0.113 0.000 1.003 1436 T CB 0.257 69.055 68.868 -0.117 0.000 1.040 1436 T HN 0.300 nan 8.240 nan 0.000 0.492 1437 L N 0.524 121.668 121.223 -0.132 0.000 2.609 1437 L HA 0.591 4.879 4.340 -0.086 0.000 0.230 1437 L C 2.373 179.098 176.870 -0.242 0.000 1.064 1437 L CA 0.613 55.318 54.840 -0.225 0.000 0.873 1437 L CB -0.371 41.614 42.059 -0.122 0.000 1.139 1437 L HN 0.114 nan 8.230 nan 0.000 0.490 1438 A N 1.271 124.174 122.820 0.139 0.000 1.873 1438 A HA -0.109 4.159 4.320 -0.086 0.000 0.218 1438 A C -0.220 177.336 177.584 -0.048 0.000 1.193 1438 A CA 2.186 54.412 52.037 0.315 0.000 0.629 1438 A CB -2.082 16.958 19.000 0.066 0.000 0.826 1438 A HN 0.430 nan 8.150 nan 0.000 0.447 1439 P HA -0.133 nan 4.420 nan 0.000 0.225 1439 P C 1.567 178.199 177.300 -1.114 0.000 1.148 1439 P CA 1.182 63.904 63.100 -0.631 0.000 0.779 1439 P CB -0.185 31.099 31.700 -0.693 0.000 0.780 1440 M N -1.065 117.969 119.600 -0.942 0.000 2.163 1440 M HA -0.249 4.179 4.480 -0.086 0.000 0.258 1440 M C 1.603 177.556 176.300 -0.578 0.000 1.071 1440 M CA 2.281 57.057 55.300 -0.873 0.000 1.093 1440 M CB -0.691 31.206 32.600 -1.171 0.000 1.285 1440 M HN -0.154 nan 8.290 nan 0.000 0.420 1441 F N 0.116 119.895 119.950 -0.285 0.000 2.161 1441 F HA -0.206 4.264 4.527 -0.095 0.000 0.300 1441 F C 2.546 178.322 175.800 -0.041 0.000 1.089 1441 F CA 1.004 58.882 58.000 -0.203 0.000 1.282 1441 F CB -1.125 37.733 39.000 -0.237 0.000 1.010 1441 F HN 0.307 nan 8.300 nan 0.000 0.485 1442 A N -0.362 122.532 122.820 0.123 0.000 1.873 1442 A HA -0.175 4.094 4.320 -0.086 0.000 0.215 1442 A C 2.037 179.742 177.584 0.202 0.000 1.186 1442 A CA 1.194 53.321 52.037 0.151 0.000 0.616 1442 A CB -1.474 17.575 19.000 0.082 0.000 0.823 1442 A HN 0.528 nan 8.150 nan 0.000 0.442 1443 Y N -0.983 119.327 120.300 0.016 0.000 2.241 1443 Y HA -0.189 4.311 4.550 -0.084 0.000 0.286 1443 Y C 2.466 178.369 175.900 0.005 0.000 1.166 1443 Y CA 0.834 58.930 58.100 -0.006 0.000 1.203 1443 Y CB 0.032 38.462 38.460 -0.051 0.000 0.977 1443 Y HN 0.191 nan 8.280 nan 0.000 0.529 1444 R N -0.145 120.460 120.500 0.175 0.000 2.397 1444 R HA 0.015 4.303 4.340 -0.086 0.000 0.241 1444 R C 0.075 176.447 176.300 0.120 0.000 0.914 1444 R CA 0.143 56.313 56.100 0.116 0.000 1.071 1444 R CB 0.011 30.362 30.300 0.084 0.000 1.116 1444 R HN 0.260 nan 8.270 nan 0.000 0.524 1445 N N 0.792 119.577 118.700 0.143 0.000 2.862 1445 N HA -0.132 4.557 4.740 -0.086 0.000 0.248 1445 N C -0.768 174.822 175.510 0.132 0.000 1.116 1445 N CA 0.560 53.689 53.050 0.131 0.000 0.727 1445 N CB -1.219 37.330 38.487 0.104 0.000 1.083 1445 N HN 0.184 nan 8.380 nan 0.000 0.555 1446 M N 0.303 120.007 119.600 0.174 0.000 2.274 1446 M HA 0.234 4.662 4.480 -0.086 0.000 0.344 1446 M C 0.769 177.163 176.300 0.156 0.000 1.161 1446 M CA -0.339 55.077 55.300 0.193 0.000 1.126 1446 M CB 1.274 34.056 32.600 0.304 0.000 1.522 1446 M HN 0.135 nan 8.290 nan 0.000 0.461 1447 E N 1.285 121.529 120.200 0.073 0.000 2.343 1447 E HA 0.329 4.627 4.350 -0.086 0.000 0.269 1447 E C -1.478 175.194 176.600 0.120 0.000 1.047 1447 E CA -0.473 55.911 56.400 -0.028 0.000 0.874 1447 E CB 1.350 30.965 29.700 -0.142 0.000 1.033 1447 E HN 0.447 nan 8.360 nan 0.000 0.409 1448 V N 5.673 125.760 119.914 0.287 0.000 2.311 1448 V HA 0.054 4.122 4.120 -0.086 0.000 0.275 1448 V C 0.843 177.061 176.094 0.207 0.000 1.022 1448 V CA -0.288 62.139 62.300 0.212 0.000 0.830 1448 V CB 1.302 33.252 31.823 0.212 0.000 1.012 1448 V HN 0.669 nan 8.190 nan 0.000 0.452 1449 V N 3.917 123.880 119.914 0.081 0.000 2.951 1449 V HA 0.367 4.435 4.120 -0.086 0.000 0.255 1449 V C 1.064 177.243 176.094 0.142 0.000 1.088 1449 V CA 1.173 63.519 62.300 0.077 0.000 1.109 1449 V CB -0.281 31.520 31.823 -0.037 0.000 0.724 1449 V HN 0.875 nan 8.190 nan 0.000 0.471 1450 G N -1.552 107.328 108.800 0.133 0.000 2.691 1450 G HA2 0.424 4.333 3.960 -0.086 0.000 0.298 1450 G HA3 0.424 4.333 3.960 -0.086 0.000 0.298 1450 G C -2.394 172.600 174.900 0.156 0.000 1.471 1450 G CA -0.433 44.791 45.100 0.207 0.000 0.912 1450 G HN -0.006 nan 8.290 nan 0.000 0.553 1451 W N 4.569 125.902 121.300 0.056 0.000 2.683 1451 W HA 0.670 5.284 4.660 -0.077 0.000 0.329 1451 W C -1.064 175.515 176.519 0.100 0.000 1.037 1451 W CA -1.288 56.067 57.345 0.018 0.000 1.232 1451 W CB 2.108 31.572 29.460 0.006 0.000 1.390 1451 W HN 0.558 nan 8.180 nan 0.000 0.465 1452 M N 5.123 124.968 119.600 0.409 0.000 2.180 1452 M HA 0.384 4.813 4.480 -0.086 0.000 0.350 1452 M C -1.133 175.421 176.300 0.423 0.000 1.125 1452 M CA 0.270 55.805 55.300 0.392 0.000 1.031 1452 M CB 1.296 34.108 32.600 0.352 0.000 1.623 1452 M HN 0.227 nan 8.290 nan 0.000 0.451 1453 S N 5.089 120.995 115.700 0.343 0.000 2.667 1453 S HA 0.384 4.802 4.470 -0.086 0.000 0.304 1453 S C -1.669 173.104 174.600 0.289 0.000 1.135 1453 S CA -0.365 58.001 58.200 0.277 0.000 1.125 1453 S CB 0.394 63.695 63.200 0.169 0.000 0.996 1453 S HN 0.691 nan 8.310 nan 0.000 0.474 1454 Y N 3.851 124.245 120.300 0.157 0.000 2.328 1454 Y HA 0.459 4.952 4.550 -0.095 0.000 0.333 1454 Y C -0.392 175.621 175.900 0.187 0.000 0.958 1454 Y CA -0.802 57.388 58.100 0.150 0.000 1.167 1454 Y CB 0.713 39.248 38.460 0.126 0.000 1.151 1454 Y HN 0.536 nan 8.280 nan 0.000 0.470 1455 N N 5.797 124.387 118.700 -0.184 0.000 2.417 1455 N HA 0.690 5.379 4.740 -0.086 0.000 0.300 1455 N C -1.548 173.807 175.510 -0.257 0.000 1.102 1455 N CA -0.543 52.437 53.050 -0.116 0.000 0.886 1455 N CB 1.784 40.240 38.487 -0.052 0.000 1.203 1455 N HN 0.549 nan 8.380 nan 0.000 0.496 1456 I N -0.655 119.870 120.570 -0.075 0.000 2.722 1456 I HA 0.753 4.871 4.170 -0.086 0.000 0.295 1456 I C -1.329 174.808 176.117 0.034 0.000 1.161 1456 I CA -1.120 60.155 61.300 -0.042 0.000 1.032 1456 I CB 1.984 39.947 38.000 -0.062 0.000 1.244 1456 I HN 0.308 nan 8.210 nan 0.000 0.421 1457 L N 2.286 123.568 121.223 0.097 0.000 3.153 1457 L HA 0.693 4.981 4.340 -0.086 0.000 0.265 1457 L C -0.709 176.243 176.870 0.136 0.000 0.964 1457 L CA -0.122 54.783 54.840 0.109 0.000 1.048 1457 L CB 0.702 42.811 42.059 0.083 0.000 1.543 1457 L HN 0.981 nan 8.230 nan 0.000 0.395 1458 G N -0.013 108.858 108.800 0.118 0.000 5.542 1458 G HA2 0.161 4.070 3.960 -0.086 0.000 0.207 1458 G HA3 0.161 4.070 3.960 -0.086 0.000 0.207 1458 G C 0.070 175.074 174.900 0.173 0.000 0.764 1458 G CA 0.490 45.712 45.100 0.202 0.000 0.692 1458 G HN 0.866 nan 8.290 nan 0.000 0.330 1459 D N 0.462 120.928 120.400 0.110 0.000 1.509 1459 D HA -0.044 4.544 4.640 -0.086 0.000 0.326 1459 D C 1.120 177.437 176.300 0.029 0.000 1.143 1459 D CA 0.551 54.586 54.000 0.058 0.000 0.938 1459 D CB 0.304 41.166 40.800 0.103 0.000 1.641 1459 D HN 0.209 nan 8.370 nan 0.000 0.550 1460 Y N -0.378 120.000 120.300 0.130 0.000 2.510 1460 Y HA 0.008 4.506 4.550 -0.086 0.000 0.273 1460 Y C 1.984 177.937 175.900 0.089 0.000 1.119 1460 Y CA 0.127 58.294 58.100 0.112 0.000 1.286 1460 Y CB 0.398 38.934 38.460 0.127 0.000 1.061 1460 Y HN 0.150 nan 8.280 nan 0.000 0.542 1461 D N -0.526 120.007 120.400 0.222 0.000 2.106 1461 D HA -0.100 4.488 4.640 -0.086 0.000 0.203 1461 D C 2.405 178.786 176.300 0.135 0.000 0.977 1461 D CA 1.519 55.612 54.000 0.154 0.000 0.844 1461 D CB -0.509 40.363 40.800 0.120 0.000 1.002 1461 D HN 0.292 nan 8.370 nan 0.000 0.461 1462 G N 0.526 109.418 108.800 0.153 0.000 2.470 1462 G HA2 -0.249 3.659 3.960 -0.086 0.000 0.220 1462 G HA3 -0.249 3.659 3.960 -0.086 0.000 0.220 1462 G C 1.680 176.675 174.900 0.158 0.000 1.121 1462 G CA 0.658 45.868 45.100 0.183 0.000 0.766 1462 G HN 0.266 nan 8.290 nan 0.000 0.553 1463 K N -0.166 120.304 120.400 0.117 0.000 1.965 1463 K HA -0.058 4.210 4.320 -0.086 0.000 0.214 1463 K C 2.541 179.119 176.600 -0.036 0.000 1.046 1463 K CA 1.483 57.755 56.287 -0.025 0.000 0.944 1463 K CB -0.506 32.013 32.500 0.032 0.000 0.726 1463 K HN 0.158 nan 8.250 nan 0.000 0.441 1464 V N 2.056 121.996 119.914 0.043 0.000 2.720 1464 V HA -0.170 3.898 4.120 -0.086 0.000 0.256 1464 V C 1.703 177.810 176.094 0.021 0.000 1.082 1464 V CA 1.274 63.596 62.300 0.036 0.000 1.101 1464 V CB -0.493 31.370 31.823 0.067 0.000 0.693 1464 V HN 0.309 nan 8.190 nan 0.000 0.479 1465 L N 0.423 121.664 121.223 0.030 0.000 2.737 1465 L HA 0.137 4.425 4.340 -0.086 0.000 0.236 1465 L C 2.119 179.000 176.870 0.018 0.000 1.219 1465 L CA 0.636 55.495 54.840 0.032 0.000 1.021 1465 L CB -0.348 41.740 42.059 0.050 0.000 1.291 1465 L HN 0.420 nan 8.230 nan 0.000 0.470 1466 S N 0.179 115.864 115.700 -0.026 0.000 2.421 1466 S HA 0.116 4.534 4.470 -0.086 0.000 0.224 1466 S C 1.160 175.749 174.600 -0.019 0.000 1.035 1466 S CA 0.303 58.474 58.200 -0.050 0.000 0.953 1466 S CB 0.275 63.377 63.200 -0.163 0.000 0.810 1466 S HN 0.362 nan 8.310 nan 0.000 0.497 1467 A N 1.121 123.932 122.820 -0.015 0.000 2.340 1467 A HA 0.575 4.843 4.320 -0.086 0.000 0.268 1467 A C 0.896 178.486 177.584 0.011 0.000 1.100 1467 A CA -0.591 51.445 52.037 -0.001 0.000 0.803 1467 A CB 0.335 19.334 19.000 -0.002 0.000 1.043 1467 A HN 0.530 nan 8.150 nan 0.000 0.488 1468 R N 0.402 120.911 120.500 0.015 0.000 2.310 1468 R HA -0.026 4.262 4.340 -0.086 0.000 0.202 1468 R C 0.332 176.643 176.300 0.018 0.000 0.933 1468 R CA 0.518 56.629 56.100 0.019 0.000 1.054 1468 R CB -0.030 30.283 30.300 0.021 0.000 0.985 1468 R HN 0.928 nan 8.270 nan 0.000 0.489 1469 D N 1.624 122.034 120.400 0.017 0.000 2.157 1469 D HA -0.176 4.412 4.640 -0.086 0.000 0.197 1469 D C 1.253 177.566 176.300 0.022 0.000 0.995 1469 D CA 1.512 55.523 54.000 0.019 0.000 0.860 1469 D CB -0.074 40.737 40.800 0.017 0.000 1.016 1469 D HN 0.286 nan 8.370 nan 0.000 0.452 1470 N N -0.009 118.706 118.700 0.024 0.000 2.461 1470 N HA -0.063 4.625 4.740 -0.086 0.000 0.188 1470 N C 1.305 176.830 175.510 0.025 0.000 1.134 1470 N CA 0.105 53.172 53.050 0.028 0.000 0.878 1470 N CB 0.393 38.901 38.487 0.035 0.000 0.972 1470 N HN 0.153 nan 8.380 nan 0.000 0.456 1471 K N 1.645 122.058 120.400 0.022 0.000 2.137 1471 K HA -0.053 4.215 4.320 -0.086 0.000 0.202 1471 K C 1.760 178.368 176.600 0.014 0.000 1.052 1471 K CA 0.570 56.869 56.287 0.020 0.000 0.961 1471 K CB 0.185 32.699 32.500 0.022 0.000 0.741 1471 K HN 0.063 nan 8.250 nan 0.000 0.452 1472 E N 0.282 120.490 120.200 0.013 0.000 2.048 1472 E HA -0.218 4.080 4.350 -0.086 0.000 0.202 1472 E C 1.808 178.408 176.600 0.000 0.000 1.021 1472 E CA 2.157 58.562 56.400 0.008 0.000 0.825 1472 E CB 0.035 29.742 29.700 0.011 0.000 0.756 1472 E HN 0.213 nan 8.360 nan 0.000 0.454 1473 S N 0.530 116.233 115.700 0.004 0.000 2.377 1473 S HA -0.303 4.115 4.470 -0.086 0.000 0.224 1473 S C 1.889 176.481 174.600 -0.013 0.000 1.042 1473 S CA 1.865 60.064 58.200 -0.003 0.000 1.086 1473 S CB -0.436 62.768 63.200 0.007 0.000 0.995 1473 S HN 0.225 nan 8.310 nan 0.000 0.428 1474 K N 0.948 121.343 120.400 -0.008 0.000 2.009 1474 K HA -0.100 4.169 4.320 -0.086 0.000 0.210 1474 K C 1.978 178.559 176.600 -0.031 0.000 1.049 1474 K CA 1.518 57.794 56.287 -0.019 0.000 0.929 1474 K CB -0.521 31.975 32.500 -0.007 0.000 0.714 1474 K HN 0.158 nan 8.250 nan 0.000 0.440 1475 V N 1.395 121.296 119.914 -0.022 0.000 2.343 1475 V HA -0.246 3.822 4.120 -0.086 0.000 0.247 1475 V C 2.250 178.321 176.094 -0.039 0.000 1.051 1475 V CA 1.795 64.080 62.300 -0.026 0.000 1.036 1475 V CB -0.388 31.429 31.823 -0.009 0.000 0.654 1475 V HN 0.341 nan 8.190 nan 0.000 0.451 1476 L N -0.475 120.726 121.223 -0.035 0.000 2.127 1476 L HA -0.194 4.095 4.340 -0.086 0.000 0.211 1476 L C 2.557 179.389 176.870 -0.063 0.000 1.089 1476 L CA 1.623 56.437 54.840 -0.045 0.000 0.757 1476 L CB -0.607 41.430 42.059 -0.035 0.000 0.899 1476 L HN 0.260 nan 8.230 nan 0.000 0.434 1477 S N -0.418 115.244 115.700 -0.064 0.000 2.447 1477 S HA -0.115 4.304 4.470 -0.086 0.000 0.233 1477 S C 1.750 176.290 174.600 -0.101 0.000 1.006 1477 S CA 1.082 59.235 58.200 -0.078 0.000 0.957 1477 S CB 0.011 63.168 63.200 -0.072 0.000 0.773 1477 S HN 0.500 nan 8.310 nan 0.000 0.507 1478 K N 0.041 120.379 120.400 -0.103 0.000 2.334 1478 K HA 0.204 4.472 4.320 -0.086 0.000 0.195 1478 K C 1.245 177.749 176.600 -0.161 0.000 1.045 1478 K CA 0.603 56.811 56.287 -0.133 0.000 1.004 1478 K CB 0.051 32.483 32.500 -0.112 0.000 0.837 1478 K HN 0.059 nan 8.250 nan 0.000 0.510 1479 D N 1.769 122.092 120.400 -0.129 0.000 2.214 1479 D HA -0.020 4.568 4.640 -0.086 0.000 0.217 1479 D C 1.508 177.721 176.300 -0.144 0.000 0.973 1479 D CA 1.018 54.937 54.000 -0.135 0.000 0.880 1479 D CB 0.234 40.979 40.800 -0.093 0.000 1.031 1479 D HN -0.120 nan 8.370 nan 0.000 0.468 1480 K N 0.138 120.469 120.400 -0.116 0.000 2.160 1480 K HA -0.083 4.185 4.320 -0.086 0.000 0.206 1480 K C 2.027 178.549 176.600 -0.131 0.000 1.047 1480 K CA 0.302 56.525 56.287 -0.108 0.000 0.930 1480 K CB -0.567 31.883 32.500 -0.085 0.000 0.720 1480 K HN 0.002 nan 8.250 nan 0.000 0.450 1481 V N 0.921 120.744 119.914 -0.151 0.000 2.257 1481 V HA -0.347 3.721 4.120 -0.086 0.000 0.257 1481 V C 2.089 178.062 176.094 -0.202 0.000 1.077 1481 V CA 2.020 64.216 62.300 -0.174 0.000 1.063 1481 V CB -0.511 31.185 31.823 -0.211 0.000 0.664 1481 V HN 0.256 nan 8.190 nan 0.000 0.450 1482 L N -0.375 120.695 121.223 -0.255 0.000 1.997 1482 L HA -0.253 4.035 4.340 -0.086 0.000 0.216 1482 L C 2.378 179.107 176.870 -0.235 0.000 1.074 1482 L CA 2.410 57.079 54.840 -0.284 0.000 0.763 1482 L CB -1.030 40.850 42.059 -0.297 0.000 0.890 1482 L HN 0.424 nan 8.230 nan 0.000 0.434 1483 E N -0.285 119.798 120.200 -0.195 0.000 2.055 1483 E HA -0.297 4.002 4.350 -0.086 0.000 0.209 1483 E C 1.842 178.352 176.600 -0.150 0.000 1.036 1483 E CA 2.437 58.735 56.400 -0.170 0.000 0.849 1483 E CB -0.176 29.460 29.700 -0.107 0.000 0.767 1483 E HN 0.568 nan 8.360 nan 0.000 0.461 1484 K N -0.357 119.974 120.400 -0.115 0.000 2.555 1484 K HA 0.004 4.272 4.320 -0.086 0.000 0.193 1484 K C 1.480 178.032 176.600 -0.081 0.000 1.032 1484 K CA 0.637 56.876 56.287 -0.080 0.000 1.004 1484 K CB 0.148 32.610 32.500 -0.063 0.000 0.804 1484 K HN 0.212 nan 8.250 nan 0.000 0.496 1485 M N 0.503 120.031 119.600 -0.120 0.000 2.414 1485 M HA 0.141 4.569 4.480 -0.086 0.000 0.251 1485 M C 0.370 176.613 176.300 -0.096 0.000 1.116 1485 M CA 0.648 55.887 55.300 -0.101 0.000 1.056 1485 M CB 0.428 32.951 32.600 -0.129 0.000 1.388 1485 M HN 0.162 nan 8.290 nan 0.000 0.487 1486 L N -3.515 117.612 121.223 -0.159 0.000 3.689 1486 L HA 0.493 4.781 4.340 -0.086 0.000 0.344 1486 L C 1.143 177.952 176.870 -0.102 0.000 1.221 1486 L CA 0.206 54.950 54.840 -0.160 0.000 1.171 1486 L CB 0.075 41.878 42.059 -0.427 0.000 1.540 1486 L HN 0.240 nan 8.230 nan 0.000 0.631 1487 G N 0.346 109.091 108.800 -0.090 0.000 2.347 1487 G HA2 -0.374 3.534 3.960 -0.086 0.000 0.247 1487 G HA3 -0.374 3.534 3.960 -0.086 0.000 0.247 1487 G C 0.226 175.177 174.900 0.085 0.000 1.037 1487 G CA 0.819 45.939 45.100 0.032 0.000 0.622 1487 G HN 0.481 nan 8.290 nan 0.000 0.521 1488 Y N -0.395 119.919 120.300 0.023 0.000 2.618 1488 Y HA 0.836 5.333 4.550 -0.088 0.000 0.326 1488 Y C 0.384 176.297 175.900 0.021 0.000 1.168 1488 Y CA -1.581 56.534 58.100 0.025 0.000 1.269 1488 Y CB 1.084 39.564 38.460 0.033 0.000 1.388 1488 Y HN 0.411 nan 8.280 nan 0.000 0.528 1489 S N 2.673 118.477 115.700 0.175 0.000 2.667 1489 S HA 0.524 4.943 4.470 -0.086 0.000 0.304 1489 S C -2.787 171.904 174.600 0.151 0.000 1.135 1489 S CA -1.376 56.862 58.200 0.064 0.000 1.125 1489 S CB -0.305 62.918 63.200 0.039 0.000 0.996 1489 S HN 0.561 nan 8.310 nan 0.000 0.474 1490 P HA 0.132 nan 4.420 nan 0.000 0.274 1490 P C -0.729 176.681 177.300 0.184 0.000 1.231 1490 P CA -0.419 62.810 63.100 0.215 0.000 0.790 1490 P CB 0.213 32.044 31.700 0.219 0.000 0.951 1491 Y N 1.359 121.723 120.300 0.107 0.000 2.804 1491 Y HA 0.071 4.567 4.550 -0.089 0.000 0.338 1491 Y C 0.548 176.513 175.900 0.109 0.000 1.252 1491 Y CA 1.075 59.232 58.100 0.094 0.000 1.576 1491 Y CB 0.066 38.582 38.460 0.094 0.000 1.223 1491 Y HN 0.259 nan 8.280 nan 0.000 0.536 1492 S N 6.164 121.742 115.700 -0.202 0.000 2.532 1492 S HA 0.740 5.158 4.470 -0.086 0.000 0.301 1492 S C -1.044 173.468 174.600 -0.147 0.000 1.083 1492 S CA -0.723 57.445 58.200 -0.054 0.000 1.025 1492 S CB 0.631 63.800 63.200 -0.050 0.000 1.056 1492 S HN 0.614 nan 8.310 nan 0.000 0.494 1493 I N 2.876 123.478 120.570 0.055 0.000 2.499 1493 I HA 0.411 4.529 4.170 -0.086 0.000 0.288 1493 I C -0.775 175.417 176.117 0.124 0.000 1.048 1493 I CA -0.210 61.144 61.300 0.090 0.000 1.062 1493 I CB 2.511 40.626 38.000 0.193 0.000 1.238 1493 I HN 0.482 nan 8.210 nan 0.000 0.426 1494 T N 4.390 118.997 114.554 0.089 0.000 2.991 1494 T HA 0.515 4.813 4.350 -0.086 0.000 0.303 1494 T C -0.896 173.864 174.700 0.099 0.000 1.015 1494 T CA -0.757 61.397 62.100 0.090 0.000 1.007 1494 T CB 1.801 70.681 68.868 0.021 0.000 1.034 1494 T HN 0.479 nan 8.240 nan 0.000 0.446 1495 E N 1.990 122.267 120.200 0.127 0.000 2.308 1495 E HA 0.608 4.906 4.350 -0.086 0.000 0.275 1495 E C -1.272 175.287 176.600 -0.069 0.000 0.890 1495 E CA -0.607 55.851 56.400 0.096 0.000 0.754 1495 E CB 2.130 32.009 29.700 0.297 0.000 1.207 1495 E HN 0.481 nan 8.360 nan 0.000 0.426 1496 I N 2.667 123.197 120.570 -0.066 0.000 2.404 1496 I HA 0.309 4.427 4.170 -0.086 0.000 0.293 1496 I C -0.723 175.338 176.117 -0.094 0.000 0.992 1496 I CA -0.552 60.684 61.300 -0.106 0.000 1.149 1496 I CB 1.574 39.559 38.000 -0.026 0.000 1.315 1496 I HN 0.241 nan 8.210 nan 0.000 0.446 1497 Q N 4.663 124.383 119.800 -0.133 0.000 2.347 1497 Q HA 0.263 4.551 4.340 -0.086 0.000 0.271 1497 Q C -1.266 174.822 176.000 0.147 0.000 1.064 1497 Q CA -0.952 54.854 55.803 0.004 0.000 0.800 1497 Q CB 2.075 30.782 28.738 -0.050 0.000 1.304 1497 Q HN 0.452 nan 8.270 nan 0.000 0.438 1498 Y N 3.393 123.728 120.300 0.058 0.000 2.745 1498 Y HA 0.106 4.605 4.550 -0.084 0.000 0.335 1498 Y C -1.193 174.781 175.900 0.122 0.000 1.212 1498 Y CA 0.453 58.594 58.100 0.068 0.000 1.535 1498 Y CB -0.112 38.363 38.460 0.026 0.000 1.220 1498 Y HN 0.504 nan 8.280 nan 0.000 0.531 1499 F N 10.012 129.768 119.950 -0.323 0.000 2.824 1499 F HA 0.339 4.823 4.527 -0.071 0.000 0.375 1499 F C -1.817 173.742 175.800 -0.400 0.000 1.190 1499 F CA -2.108 55.687 58.000 -0.342 0.000 1.180 1499 F CB 1.312 40.239 39.000 -0.122 0.000 1.477 1499 F HN 0.362 nan 8.300 nan 0.000 0.542 1500 P HA -0.181 nan 4.420 nan 0.000 0.217 1500 P C 1.828 179.062 177.300 -0.110 0.000 1.150 1500 P CA 1.306 64.184 63.100 -0.370 0.000 0.832 1500 P CB 0.302 31.738 31.700 -0.440 0.000 0.787 1501 S N -0.708 114.946 115.700 -0.076 0.000 2.419 1501 S HA -0.090 4.328 4.470 -0.086 0.000 0.235 1501 S C 1.932 176.589 174.600 0.094 0.000 1.019 1501 S CA 0.765 58.982 58.200 0.029 0.000 0.982 1501 S CB -0.918 62.321 63.200 0.065 0.000 0.789 1501 S HN 0.043 nan 8.310 nan 0.000 0.490 1502 L N 0.526 121.849 121.223 0.167 0.000 2.240 1502 L HA 0.024 4.312 4.340 -0.086 0.000 0.211 1502 L C 1.576 178.473 176.870 0.045 0.000 1.106 1502 L CA 0.348 55.240 54.840 0.086 0.000 0.793 1502 L CB -0.455 41.642 42.059 0.064 0.000 0.927 1502 L HN 0.168 nan 8.230 nan 0.000 0.446 1503 V N -0.208 119.733 119.914 0.046 0.000 0.689 1503 V HA -0.545 3.524 4.120 -0.086 0.000 0.092 1503 V C 1.308 177.431 176.094 0.049 0.000 0.804 1503 V CA 2.071 64.394 62.300 0.039 0.000 3.103 1503 V CB -1.063 30.776 31.823 0.025 0.000 0.204 1503 V HN 0.437 nan 8.190 nan 0.000 0.119 1504 D N 0.643 121.064 120.400 0.035 0.000 2.347 1504 D HA 0.008 4.596 4.640 -0.086 0.000 0.213 1504 D C 1.177 177.489 176.300 0.020 0.000 0.985 1504 D CA 0.864 54.877 54.000 0.023 0.000 0.879 1504 D CB -0.345 40.440 40.800 -0.024 0.000 0.919 1504 D HN 0.593 nan 8.370 nan 0.000 0.526 1505 N N 1.267 119.974 118.700 0.011 0.000 2.874 1505 N HA -0.106 4.583 4.740 -0.086 0.000 0.316 1505 N C -0.390 175.131 175.510 0.019 0.000 1.205 1505 N CA -0.095 52.952 53.050 -0.006 0.000 1.180 1505 N CB -0.195 38.276 38.487 -0.026 0.000 1.450 1505 N HN 0.066 nan 8.380 nan 0.000 0.528 1506 K N 1.850 122.289 120.400 0.066 0.000 2.395 1506 K HA -0.006 4.262 4.320 -0.086 0.000 0.283 1506 K C -0.737 175.952 176.600 0.149 0.000 1.068 1506 K CA 0.487 56.846 56.287 0.120 0.000 1.039 1506 K CB 0.377 32.985 32.500 0.181 0.000 0.924 1506 K HN 0.183 nan 8.250 nan 0.000 0.468 1507 T N 2.404 117.007 114.554 0.082 0.000 2.823 1507 T HA 0.622 4.921 4.350 -0.086 0.000 0.279 1507 T C -1.118 173.621 174.700 0.065 0.000 0.998 1507 T CA -0.685 61.436 62.100 0.034 0.000 0.994 1507 T CB 1.690 70.517 68.868 -0.067 0.000 0.960 1507 T HN 0.638 nan 8.240 nan 0.000 0.448 1508 A N 2.521 125.341 122.820 -0.001 0.000 2.449 1508 A HA 0.835 5.104 4.320 -0.086 0.000 0.302 1508 A C -1.623 175.820 177.584 -0.235 0.000 1.048 1508 A CA -0.719 51.346 52.037 0.046 0.000 0.708 1508 A CB 0.988 20.064 19.000 0.128 0.000 1.274 1508 A HN 0.693 nan 8.150 nan 0.000 0.410 1509 F N 1.734 121.722 119.950 0.063 0.000 2.403 1509 F HA 0.443 4.890 4.527 -0.133 0.000 0.355 1509 F C -0.003 175.766 175.800 -0.051 0.000 1.119 1509 F CA -0.363 57.643 58.000 0.009 0.000 1.007 1509 F CB 1.908 40.947 39.000 0.064 0.000 1.194 1509 F HN 0.496 nan 8.300 nan 0.000 0.443 1510 D N 2.427 122.703 120.400 -0.206 0.000 2.419 1510 D HA 0.490 5.078 4.640 -0.086 0.000 0.234 1510 D C -1.556 174.650 176.300 -0.157 0.000 1.014 1510 D CA -0.409 53.435 54.000 -0.260 0.000 0.919 1510 D CB 3.250 43.645 40.800 -0.676 0.000 1.366 1510 D HN 0.356 nan 8.370 nan 0.000 0.490 1511 F N 1.040 120.831 119.950 -0.266 0.000 2.651 1511 F HA 0.274 4.742 4.527 -0.098 0.000 0.329 1511 F C -1.906 173.645 175.800 -0.416 0.000 1.186 1511 F CA -0.633 57.188 58.000 -0.299 0.000 1.046 1511 F CB 1.109 40.003 39.000 -0.177 0.000 1.296 1511 F HN 0.024 nan 8.300 nan 0.000 0.497 1512 V N 5.588 124.887 119.914 -1.027 0.000 2.334 1512 V HA 0.320 4.388 4.120 -0.086 0.000 0.281 1512 V C -0.267 175.333 176.094 -0.823 0.000 1.016 1512 V CA -0.546 61.131 62.300 -1.037 0.000 0.832 1512 V CB 1.067 32.236 31.823 -1.090 0.000 0.999 1512 V HN 0.851 nan 8.190 nan 0.000 0.439 1513 H N 5.989 124.517 119.070 -0.905 0.000 2.761 1513 H HA 0.543 5.050 4.556 -0.083 0.000 0.284 1513 H C -0.929 174.295 175.328 -0.174 0.000 1.105 1513 H CA -0.574 55.167 56.048 -0.512 0.000 1.352 1513 H CB 0.644 30.191 29.762 -0.358 0.000 1.423 1513 H HN 0.693 nan 8.280 nan 0.000 0.464 1514 F N 2.188 121.930 119.950 -0.347 0.000 2.620 1514 F HA 0.533 5.002 4.527 -0.096 0.000 0.320 1514 F C -1.300 174.362 175.800 -0.230 0.000 1.069 1514 F CA -1.520 56.299 58.000 -0.301 0.000 0.953 1514 F CB 1.264 40.054 39.000 -0.350 0.000 1.322 1514 F HN 0.165 nan 8.300 nan 0.000 0.479 1515 K N 0.801 121.172 120.400 -0.049 0.000 2.221 1515 K HA 0.729 4.997 4.320 -0.086 0.000 0.258 1515 K C -0.292 176.330 176.600 0.036 0.000 0.944 1515 K CA -0.620 55.611 56.287 -0.094 0.000 0.823 1515 K CB 1.733 34.182 32.500 -0.085 0.000 1.113 1515 K HN 1.070 nan 8.250 nan 0.000 0.431 1516 G N 1.773 110.581 108.800 0.013 0.000 3.107 1516 G HA2 0.298 4.206 3.960 -0.086 0.000 0.232 1516 G HA3 0.298 4.206 3.960 -0.086 0.000 0.232 1516 G C -1.148 173.839 174.900 0.144 0.000 1.339 1516 G CA -0.733 44.436 45.100 0.115 0.000 1.033 1516 G HN 0.522 nan 8.290 nan 0.000 0.567 1517 F N 1.069 121.026 119.950 0.013 0.000 2.579 1517 F HA 0.040 4.515 4.527 -0.087 0.000 0.397 1517 F C 1.668 177.462 175.800 -0.010 0.000 1.027 1517 F CA 0.596 58.599 58.000 0.006 0.000 1.217 1517 F CB -0.069 38.938 39.000 0.013 0.000 0.986 1517 F HN 0.356 nan 8.300 nan 0.000 0.551 1518 L N 4.060 125.129 121.223 -0.258 0.000 5.081 1518 L HA -0.319 3.970 4.340 -0.086 0.000 0.423 1518 L C 1.219 178.022 176.870 -0.111 0.000 1.019 1518 L CA 0.739 55.437 54.840 -0.237 0.000 1.223 1518 L CB -2.187 39.736 42.059 -0.227 0.000 1.940 1518 L HN 1.171 nan 8.230 nan 0.000 0.675 1519 G N 0.343 109.104 108.800 -0.066 0.000 2.141 1519 G HA2 -0.295 3.614 3.960 -0.086 0.000 0.231 1519 G HA3 -0.295 3.614 3.960 -0.086 0.000 0.231 1519 G C 0.153 175.009 174.900 -0.074 0.000 0.984 1519 G CA 0.479 45.539 45.100 -0.066 0.000 0.660 1519 G HN 0.456 nan 8.290 nan 0.000 0.525 1520 K N 0.715 121.080 120.400 -0.058 0.000 2.368 1520 K HA 0.547 4.815 4.320 -0.086 0.000 0.282 1520 K C 0.727 177.235 176.600 -0.154 0.000 1.035 1520 K CA -0.610 55.630 56.287 -0.078 0.000 0.973 1520 K CB 0.220 32.696 32.500 -0.041 0.000 0.957 1520 K HN 0.217 nan 8.250 nan 0.000 0.474 1521 L N 4.573 125.682 121.223 -0.190 0.000 2.453 1521 L HA 0.358 4.647 4.340 -0.086 0.000 0.261 1521 L C 0.267 176.945 176.870 -0.319 0.000 1.179 1521 L CA 0.062 54.694 54.840 -0.347 0.000 0.813 1521 L CB 0.839 42.636 42.059 -0.437 0.000 1.110 1521 L HN 0.718 nan 8.230 nan 0.000 0.466 1522 M N 1.214 120.499 119.600 -0.524 0.000 2.569 1522 M HA 0.448 4.876 4.480 -0.086 0.000 0.279 1522 M C -1.337 174.738 176.300 -0.375 0.000 1.253 1522 M CA -0.646 54.341 55.300 -0.522 0.000 0.867 1522 M CB 2.840 34.904 32.600 -0.895 0.000 1.727 1522 M HN 0.374 nan 8.290 nan 0.000 0.467 1523 K N 0.814 121.179 120.400 -0.058 0.000 2.385 1523 K HA 0.768 5.036 4.320 -0.086 0.000 0.248 1523 K C -1.866 174.864 176.600 0.217 0.000 0.955 1523 K CA -0.602 55.744 56.287 0.099 0.000 0.816 1523 K CB 2.801 35.403 32.500 0.171 0.000 1.250 1523 K HN 0.512 nan 8.250 nan 0.000 0.434 1524 F N 2.190 122.026 119.950 -0.189 0.000 2.588 1524 F HA 0.426 4.944 4.527 -0.015 0.000 0.314 1524 F C -1.866 173.832 175.800 -0.169 0.000 1.134 1524 F CA -0.494 57.481 58.000 -0.041 0.000 0.961 1524 F CB 1.102 40.193 39.000 0.152 0.000 1.239 1524 F HN 0.463 nan 8.300 nan 0.000 0.448 1525 Y N 5.654 125.648 120.300 -0.511 0.000 2.562 1525 Y HA 0.768 5.323 4.550 0.008 0.000 0.343 1525 Y C -0.842 174.856 175.900 -0.336 0.000 1.025 1525 Y CA -1.513 56.424 58.100 -0.271 0.000 1.082 1525 Y CB 1.932 40.332 38.460 -0.100 0.000 1.264 1525 Y HN 0.522 nan 8.280 nan 0.000 0.478 1526 F N -0.610 119.344 119.950 0.006 0.000 2.688 1526 F HA 0.820 5.287 4.527 -0.100 0.000 0.308 1526 F C -2.261 173.574 175.800 0.059 0.000 1.117 1526 F CA -1.490 56.517 58.000 0.011 0.000 0.976 1526 F CB 0.908 39.952 39.000 0.074 0.000 1.291 1526 F HN 0.274 nan 8.300 nan 0.000 0.439 1527 I N 3.311 123.969 120.570 0.146 0.000 2.509 1527 I HA 0.331 4.449 4.170 -0.086 0.000 0.293 1527 I C -1.491 174.711 176.117 0.142 0.000 1.020 1527 I CA -0.645 60.606 61.300 -0.082 0.000 1.088 1527 I CB 2.107 39.885 38.000 -0.371 0.000 1.267 1527 I HN 0.815 nan 8.210 nan 0.000 0.430 1528 W N 6.524 127.776 121.300 -0.080 0.000 2.532 1528 W HA 0.412 5.009 4.660 -0.104 0.000 0.321 1528 W C -1.605 174.860 176.519 -0.089 0.000 1.037 1528 W CA -0.432 56.911 57.345 -0.003 0.000 1.220 1528 W CB 1.695 31.217 29.460 0.103 0.000 1.361 1528 W HN 0.494 nan 8.180 nan 0.000 0.468 1529 D N 5.015 125.133 120.400 -0.470 0.000 2.408 1529 D HA 0.579 5.167 4.640 -0.086 0.000 0.261 1529 D C -1.068 174.934 176.300 -0.497 0.000 1.190 1529 D CA 0.125 53.899 54.000 -0.376 0.000 0.910 1529 D CB 0.683 41.331 40.800 -0.254 0.000 1.097 1529 D HN 0.458 nan 8.370 nan 0.000 0.522 1530 A N 2.339 124.905 122.820 -0.423 0.000 2.536 1530 A HA 0.572 4.840 4.320 -0.086 0.000 0.293 1530 A C -1.437 176.096 177.584 -0.085 0.000 1.119 1530 A CA -0.712 51.140 52.037 -0.309 0.000 0.654 1530 A CB 0.399 19.091 19.000 -0.512 0.000 1.291 1530 A HN 0.254 nan 8.150 nan 0.000 0.439 1531 I N 1.826 122.367 120.570 -0.050 0.000 2.322 1531 I HA 0.227 4.346 4.170 -0.086 0.000 0.292 1531 I C 0.473 176.616 176.117 0.042 0.000 1.060 1531 I CA -0.040 61.258 61.300 -0.004 0.000 1.309 1531 I CB 0.593 38.584 38.000 -0.015 0.000 1.415 1531 I HN 0.549 nan 8.210 nan 0.000 0.492 1532 D N 4.741 125.183 120.400 0.069 0.000 2.182 1532 D HA -0.180 4.408 4.640 -0.086 0.000 0.201 1532 D C 2.039 178.366 176.300 0.044 0.000 0.986 1532 D CA 1.538 55.600 54.000 0.103 0.000 0.847 1532 D CB 0.172 41.031 40.800 0.098 0.000 0.942 1532 D HN 0.696 nan 8.370 nan 0.000 0.467 1533 A N -0.290 122.497 122.820 -0.054 0.000 2.168 1533 A HA 0.005 4.273 4.320 -0.086 0.000 0.215 1533 A C 2.151 179.690 177.584 -0.076 0.000 1.152 1533 A CA 0.435 52.392 52.037 -0.134 0.000 0.716 1533 A CB -0.259 18.532 19.000 -0.348 0.000 0.794 1533 A HN 0.202 nan 8.150 nan 0.000 0.465 1534 I N -0.859 119.708 120.570 -0.005 0.000 3.265 1534 I HA -0.049 4.069 4.170 -0.086 0.000 0.282 1534 I C 2.028 178.186 176.117 0.069 0.000 1.207 1534 I CA 0.651 61.981 61.300 0.051 0.000 1.449 1534 I CB 0.760 38.813 38.000 0.089 0.000 1.121 1534 I HN 0.234 nan 8.210 nan 0.000 0.442 1535 V N -1.862 118.108 119.914 0.093 0.000 3.608 1535 V HA 0.288 4.356 4.120 -0.086 0.000 0.269 1535 V C 1.915 178.090 176.094 0.134 0.000 1.245 1535 V CA 1.101 63.480 62.300 0.132 0.000 1.138 1535 V CB -0.058 31.891 31.823 0.211 0.000 0.841 1535 V HN 0.188 nan 8.190 nan 0.000 0.451 1536 A N 0.862 123.750 122.820 0.112 0.000 1.871 1536 A HA 0.431 4.699 4.320 -0.086 0.000 0.211 1536 A C 2.473 180.045 177.584 -0.020 0.000 1.207 1536 A CA 1.402 53.522 52.037 0.138 0.000 0.620 1536 A CB -1.030 18.046 19.000 0.127 0.000 0.860 1536 A HN 0.923 nan 8.150 nan 0.000 0.450 1537 A N 0.667 123.445 122.820 -0.069 0.000 1.915 1537 A HA -0.140 4.129 4.320 -0.086 0.000 0.220 1537 A C -0.010 177.539 177.584 -0.057 0.000 1.198 1537 A CA 2.282 54.251 52.037 -0.113 0.000 0.647 1537 A CB -1.767 17.191 19.000 -0.070 0.000 0.825 1537 A HN 0.487 nan 8.150 nan 0.000 0.456 1538 P HA 0.054 nan 4.420 nan 0.000 0.241 1538 P C 0.735 178.123 177.300 0.147 0.000 1.191 1538 P CA 0.544 63.709 63.100 0.107 0.000 0.771 1538 P CB -0.046 31.740 31.700 0.143 0.000 0.929 1539 L N -1.142 120.151 121.223 0.118 0.000 2.629 1539 L HA 0.122 4.410 4.340 -0.086 0.000 0.230 1539 L C 1.305 178.167 176.870 -0.013 0.000 1.151 1539 L CA 0.052 54.994 54.840 0.171 0.000 0.924 1539 L CB -0.309 41.931 42.059 0.301 0.000 1.137 1539 L HN -0.063 nan 8.230 nan 0.000 0.457 1540 I N -0.456 120.051 120.570 -0.105 0.000 3.172 1540 I HA -0.042 4.076 4.170 -0.086 0.000 0.278 1540 I C 2.185 178.227 176.117 -0.126 0.000 1.174 1540 I CA 0.979 62.159 61.300 -0.199 0.000 1.445 1540 I CB -0.512 37.295 38.000 -0.322 0.000 1.175 1540 I HN 0.192 nan 8.210 nan 0.000 0.447 1541 L N 0.077 121.232 121.223 -0.112 0.000 2.179 1541 L HA -0.049 4.239 4.340 -0.086 0.000 0.208 1541 L C 2.070 179.062 176.870 0.204 0.000 1.096 1541 L CA 0.853 55.615 54.840 -0.131 0.000 0.779 1541 L CB -0.612 41.366 42.059 -0.136 0.000 0.922 1541 L HN 0.101 nan 8.230 nan 0.000 0.443 1542 D N 0.981 121.520 120.400 0.232 0.000 2.077 1542 D HA -0.135 4.454 4.640 -0.086 0.000 0.193 1542 D C 2.360 178.892 176.300 0.386 0.000 0.989 1542 D CA 1.401 55.639 54.000 0.397 0.000 0.831 1542 D CB -0.143 40.952 40.800 0.492 0.000 0.979 1542 D HN 0.229 nan 8.370 nan 0.000 0.449 1543 I N 1.415 121.968 120.570 -0.028 0.000 2.151 1543 I HA -0.328 3.790 4.170 -0.086 0.000 0.243 1543 I C 2.514 178.725 176.117 0.157 0.000 1.080 1543 I CA 1.364 62.607 61.300 -0.096 0.000 1.339 1543 I CB -0.267 37.616 38.000 -0.195 0.000 1.039 1543 I HN -0.063 nan 8.210 nan 0.000 0.409 1544 A N 0.672 123.583 122.820 0.152 0.000 1.883 1544 A HA -0.236 4.033 4.320 -0.086 0.000 0.217 1544 A C 2.409 180.161 177.584 0.281 0.000 1.186 1544 A CA 1.734 53.901 52.037 0.217 0.000 0.624 1544 A CB -0.634 18.497 19.000 0.218 0.000 0.822 1544 A HN 0.332 nan 8.150 nan 0.000 0.444 1545 R N -1.957 118.726 120.500 0.306 0.000 2.096 1545 R HA -0.084 4.205 4.340 -0.086 0.000 0.235 1545 R C 1.883 178.276 176.300 0.156 0.000 1.127 1545 R CA 1.590 57.816 56.100 0.209 0.000 0.968 1545 R CB -0.437 29.955 30.300 0.154 0.000 0.861 1545 R HN 0.586 nan 8.270 nan 0.000 0.440 1546 F N 0.585 120.663 119.950 0.212 0.000 2.234 1546 F HA -0.115 4.361 4.527 -0.086 0.000 0.299 1546 F C 2.124 178.163 175.800 0.398 0.000 1.087 1546 F CA 0.991 59.170 58.000 0.298 0.000 1.340 1546 F CB -0.052 39.042 39.000 0.157 0.000 1.031 1546 F HN -0.042 nan 8.300 nan 0.000 0.500 1547 L N -1.016 120.459 121.223 0.420 0.000 2.313 1547 L HA -0.158 4.130 4.340 -0.086 0.000 0.214 1547 L C 2.165 179.204 176.870 0.282 0.000 1.119 1547 L CA 0.150 55.184 54.840 0.324 0.000 0.809 1547 L CB -0.280 41.916 42.059 0.228 0.000 0.933 1547 L HN 0.177 nan 8.230 nan 0.000 0.449 1548 L N -0.404 120.981 121.223 0.270 0.000 2.007 1548 L HA -0.186 4.102 4.340 -0.086 0.000 0.205 1548 L C 2.306 179.287 176.870 0.185 0.000 1.073 1548 L CA 1.689 56.648 54.840 0.198 0.000 0.744 1548 L CB -0.890 41.273 42.059 0.173 0.000 0.898 1548 L HN 0.163 nan 8.230 nan 0.000 0.435 1549 F N 0.715 120.727 119.950 0.104 0.000 2.032 1549 F HA -0.388 4.087 4.527 -0.086 0.000 0.297 1549 F C 2.320 178.097 175.800 -0.039 0.000 1.125 1549 F CA 2.586 60.600 58.000 0.024 0.000 1.202 1549 F CB -0.860 38.222 39.000 0.138 0.000 0.958 1549 F HN 0.147 nan 8.300 nan 0.000 0.491 1550 A N 0.583 123.467 122.820 0.107 0.000 1.927 1550 A HA -0.311 3.957 4.320 -0.086 0.000 0.220 1550 A C 2.378 179.910 177.584 -0.088 0.000 1.185 1550 A CA 2.199 54.267 52.037 0.051 0.000 0.639 1550 A CB -1.082 18.288 19.000 0.616 0.000 0.820 1550 A HN 0.570 nan 8.150 nan 0.000 0.451 1551 K N 0.250 120.642 120.400 -0.014 0.000 1.991 1551 K HA -0.167 4.102 4.320 -0.086 0.000 0.212 1551 K C 1.366 177.875 176.600 -0.153 0.000 1.049 1551 K CA 1.856 58.119 56.287 -0.040 0.000 0.932 1551 K CB -0.270 32.237 32.500 0.012 0.000 0.717 1551 K HN 0.562 nan 8.250 nan 0.000 0.441 1552 K N 0.465 120.719 120.400 -0.244 0.000 2.611 1552 K HA -0.013 4.256 4.320 -0.086 0.000 0.193 1552 K C 0.946 177.242 176.600 -0.507 0.000 1.026 1552 K CA 0.356 56.437 56.287 -0.344 0.000 1.063 1552 K CB 0.259 32.529 32.500 -0.382 0.000 0.839 1552 K HN -0.060 nan 8.250 nan 0.000 0.505 1553 K N -0.551 119.544 120.400 -0.508 0.000 2.402 1553 K HA 0.138 4.406 4.320 -0.086 0.000 0.204 1553 K C 0.882 177.308 176.600 -0.290 0.000 1.056 1553 K CA 0.287 56.267 56.287 -0.513 0.000 1.069 1553 K CB 1.269 33.293 32.500 -0.793 0.000 0.888 1553 K HN 0.292 nan 8.250 nan 0.000 0.546 1554 G N 0.632 109.307 108.800 -0.208 0.000 2.176 1554 G HA2 -0.233 3.675 3.960 -0.086 0.000 0.232 1554 G HA3 -0.233 3.675 3.960 -0.086 0.000 0.232 1554 G C 0.140 175.005 174.900 -0.060 0.000 0.986 1554 G CA 0.089 45.119 45.100 -0.116 0.000 0.643 1554 G HN 0.059 nan 8.290 nan 0.000 0.522 1555 V N 1.985 121.871 119.914 -0.047 0.000 2.763 1555 V HA 0.481 4.549 4.120 -0.086 0.000 0.306 1555 V C 0.654 176.788 176.094 0.065 0.000 1.059 1555 V CA 1.262 63.592 62.300 0.051 0.000 1.138 1555 V CB 1.492 33.407 31.823 0.153 0.000 0.940 1555 V HN 0.740 nan 8.190 nan 0.000 0.489 1556 K N 3.548 123.999 120.400 0.086 0.000 2.562 1556 K HA 0.620 4.888 4.320 -0.086 0.000 0.267 1556 K C -0.323 176.340 176.600 0.106 0.000 0.938 1556 K CA 0.123 56.457 56.287 0.078 0.000 0.840 1556 K CB 2.120 34.641 32.500 0.034 0.000 1.390 1556 K HN 1.462 nan 8.250 nan 0.000 0.428 1557 G N 0.688 109.572 108.800 0.139 0.000 2.814 1557 G HA2 -0.186 3.722 3.960 -0.086 0.000 0.677 1557 G HA3 -0.186 3.722 3.960 -0.086 0.000 0.677 1557 G C -0.458 174.605 174.900 0.271 0.000 1.429 1557 G CA -0.578 44.657 45.100 0.225 0.000 0.868 1557 G HN 1.123 nan 8.290 nan 0.000 0.553 1558 V N -0.831 119.201 119.914 0.197 0.000 2.707 1558 V HA 0.133 4.201 4.120 -0.086 0.000 0.291 1558 V C 1.553 177.609 176.094 -0.064 0.000 1.002 1558 V CA 0.407 62.621 62.300 -0.144 0.000 1.200 1558 V CB -0.254 31.450 31.823 -0.199 0.000 0.854 1558 V HN 1.353 nan 8.190 nan 0.000 0.462 1559 V N 5.092 124.961 119.914 -0.076 0.000 2.220 1559 V HA 0.008 4.076 4.120 -0.086 0.000 0.236 1559 V C 1.616 177.591 176.094 -0.199 0.000 1.314 1559 V CA -0.051 62.175 62.300 -0.123 0.000 1.349 1559 V CB -1.150 30.578 31.823 -0.159 0.000 1.428 1559 V HN 0.921 nan 8.190 nan 0.000 0.495 1560 K N 1.965 122.282 120.400 -0.137 0.000 2.228 1560 K HA -0.203 4.065 4.320 -0.086 0.000 0.205 1560 K C 1.541 178.062 176.600 -0.132 0.000 1.045 1560 K CA 1.436 57.655 56.287 -0.113 0.000 0.931 1560 K CB -0.101 32.367 32.500 -0.052 0.000 0.727 1560 K HN 0.562 nan 8.250 nan 0.000 0.458 1561 E N -0.373 119.677 120.200 -0.250 0.000 2.476 1561 E HA 0.103 4.401 4.350 -0.086 0.000 0.191 1561 E C 0.686 177.102 176.600 -0.307 0.000 1.064 1561 E CA 0.361 56.604 56.400 -0.261 0.000 0.866 1561 E CB 0.168 29.678 29.700 -0.316 0.000 0.952 1561 E HN 0.242 nan 8.360 nan 0.000 0.492 1562 M N -0.624 118.822 119.600 -0.257 0.000 2.475 1562 M HA 0.268 4.697 4.480 -0.086 0.000 0.283 1562 M C 1.402 177.860 176.300 0.263 0.000 1.165 1562 M CA -0.143 55.132 55.300 -0.042 0.000 0.976 1562 M CB 0.574 33.106 32.600 -0.114 0.000 1.428 1562 M HN 0.144 nan 8.290 nan 0.000 0.495 1563 A N 0.359 123.269 122.820 0.151 0.000 2.070 1563 A HA -0.191 4.078 4.320 -0.086 0.000 0.220 1563 A C 1.736 179.438 177.584 0.196 0.000 1.159 1563 A CA 1.117 53.264 52.037 0.185 0.000 0.656 1563 A CB -0.814 18.228 19.000 0.069 0.000 0.800 1563 A HN 0.604 nan 8.150 nan 0.000 0.453 1564 F N -0.313 119.639 119.950 0.003 0.000 2.287 1564 F HA -0.161 4.314 4.527 -0.086 0.000 0.301 1564 F C 1.283 176.891 175.800 -0.320 0.000 1.069 1564 F CA 1.268 59.165 58.000 -0.172 0.000 1.372 1564 F CB -0.316 38.502 39.000 -0.302 0.000 1.056 1564 F HN 0.245 nan 8.300 nan 0.000 0.523 1565 F N -1.710 118.021 119.950 -0.365 0.000 2.714 1565 F HA 0.211 4.686 4.527 -0.086 0.000 0.294 1565 F C 0.195 175.477 175.800 -0.864 0.000 1.120 1565 F CA -0.244 57.307 58.000 -0.747 0.000 1.398 1565 F CB -0.148 38.335 39.000 -0.862 0.000 1.120 1565 F HN -0.299 nan 8.300 nan 0.000 0.589 1566 F N 0.049 119.928 119.950 -0.119 0.000 2.556 1566 F HA 0.370 4.845 4.527 -0.085 0.000 0.327 1566 F C 0.960 176.644 175.800 -0.194 0.000 1.059 1566 F CA -1.397 56.491 58.000 -0.186 0.000 0.953 1566 F CB 1.267 40.175 39.000 -0.153 0.000 1.227 1566 F HN -0.309 nan 8.300 nan 0.000 0.478 1567 K N -0.982 119.402 120.400 -0.027 0.000 2.393 1567 K HA 0.211 4.479 4.320 -0.086 0.000 0.193 1567 K C 0.283 176.849 176.600 -0.055 0.000 1.026 1567 K CA 0.331 56.568 56.287 -0.083 0.000 1.064 1567 K CB 0.389 32.811 32.500 -0.131 0.000 0.833 1567 K HN 0.309 nan 8.250 nan 0.000 0.521 1568 S N 2.354 118.043 115.700 -0.019 0.000 2.062 1568 S HA 0.282 4.700 4.470 -0.086 0.000 0.163 1568 S C -2.681 171.874 174.600 -0.076 0.000 1.612 1568 S CA -1.410 56.758 58.200 -0.055 0.000 1.251 1568 S CB 0.587 63.746 63.200 -0.068 0.000 1.174 1568 S HN -0.030 nan 8.310 nan 0.000 0.428 1569 P HA 0.101 nan 4.420 nan 0.000 0.266 1569 P C -0.141 177.089 177.300 -0.117 0.000 1.215 1569 P CA 0.139 63.197 63.100 -0.070 0.000 0.763 1569 P CB 0.286 31.973 31.700 -0.023 0.000 0.806 1570 M N 3.239 122.728 119.600 -0.185 0.000 2.238 1570 M HA -0.020 4.409 4.480 -0.086 0.000 0.350 1570 M C 0.366 176.589 176.300 -0.128 0.000 1.321 1570 M CA 0.908 56.103 55.300 -0.176 0.000 1.097 1570 M CB -0.135 32.312 32.600 -0.256 0.000 1.713 1570 M HN 0.429 nan 8.290 nan 0.000 0.455 1571 D N 0.543 120.886 120.400 -0.094 0.000 3.041 1571 D HA -0.157 4.431 4.640 -0.086 0.000 0.220 1571 D C -0.364 175.908 176.300 -0.047 0.000 1.157 1571 D CA 1.458 55.421 54.000 -0.063 0.000 0.876 1571 D CB -0.781 39.983 40.800 -0.060 0.000 1.107 1571 D HN 0.697 nan 8.370 nan 0.000 0.422 1572 T N -1.897 112.629 114.554 -0.048 0.000 2.816 1572 T HA 0.482 4.780 4.350 -0.086 0.000 0.299 1572 T C -0.184 174.498 174.700 -0.029 0.000 1.230 1572 T CA -0.592 61.489 62.100 -0.031 0.000 1.007 1572 T CB 1.360 70.212 68.868 -0.026 0.000 1.289 1572 T HN -0.120 nan 8.240 nan 0.000 0.508 1573 N N 0.678 119.366 118.700 -0.019 0.000 2.159 1573 N HA 0.193 4.882 4.740 -0.086 0.000 0.217 1573 N C -0.335 175.166 175.510 -0.015 0.000 1.223 1573 N CA 0.111 53.149 53.050 -0.021 0.000 0.896 1573 N CB 0.842 39.319 38.487 -0.016 0.000 1.064 1573 N HN 0.341 nan 8.380 nan 0.000 0.518 1574 V N 3.191 123.102 119.914 -0.005 0.000 2.364 1574 V HA 0.131 4.200 4.120 -0.086 0.000 0.252 1574 V C 1.521 177.617 176.094 0.004 0.000 1.075 1574 V CA 0.233 62.537 62.300 0.006 0.000 1.033 1574 V CB 0.269 32.104 31.823 0.020 0.000 1.116 1574 V HN 0.155 nan 8.190 nan 0.000 0.488 1575 I N 2.375 122.939 120.570 -0.011 0.000 3.265 1575 I HA 0.067 4.185 4.170 -0.086 0.000 0.282 1575 I C 1.406 177.513 176.117 -0.017 0.000 1.207 1575 I CA 0.294 61.577 61.300 -0.028 0.000 1.449 1575 I CB -0.171 37.790 38.000 -0.065 0.000 1.121 1575 I HN 0.626 nan 8.210 nan 0.000 0.442 1576 N N 2.568 121.269 118.700 0.003 0.000 2.374 1576 N HA -0.082 4.606 4.740 -0.086 0.000 0.269 1576 N C 0.958 176.519 175.510 0.085 0.000 1.310 1576 N CA 0.617 53.683 53.050 0.027 0.000 0.877 1576 N CB 1.057 39.576 38.487 0.053 0.000 1.096 1576 N HN 0.079 nan 8.380 nan 0.000 0.484 1577 T N 3.286 117.890 114.554 0.083 0.000 2.665 1577 T HA -0.225 4.073 4.350 -0.086 0.000 0.268 1577 T C 1.476 176.351 174.700 0.291 0.000 1.035 1577 T CA 1.532 63.743 62.100 0.184 0.000 1.151 1577 T CB -0.502 68.433 68.868 0.110 0.000 0.862 1577 T HN 0.729 nan 8.240 nan 0.000 0.438 1578 H N 0.454 119.587 119.070 0.105 0.000 2.387 1578 H HA -0.063 4.442 4.556 -0.085 0.000 0.299 1578 H C 2.402 177.804 175.328 0.124 0.000 1.090 1578 H CA 1.202 57.321 56.048 0.117 0.000 1.332 1578 H CB 0.159 29.976 29.762 0.091 0.000 1.386 1578 H HN 0.447 nan 8.280 nan 0.000 0.516 1579 E N 0.101 120.381 120.200 0.133 0.000 2.051 1579 E HA -0.192 4.106 4.350 -0.086 0.000 0.192 1579 E C 2.480 179.123 176.600 0.072 0.000 0.991 1579 E CA 1.490 57.911 56.400 0.036 0.000 0.799 1579 E CB 0.156 29.881 29.700 0.043 0.000 0.748 1579 E HN 0.650 nan 8.360 nan 0.000 0.449 1580 Q N -0.267 119.623 119.800 0.149 0.000 2.046 1580 Q HA -0.176 4.112 4.340 -0.086 0.000 0.200 1580 Q C 2.097 178.167 176.000 0.117 0.000 0.975 1580 Q CA 1.141 57.053 55.803 0.182 0.000 0.836 1580 Q CB -0.354 28.564 28.738 0.299 0.000 0.896 1580 Q HN 0.244 nan 8.270 nan 0.000 0.428 1581 F N 1.818 121.715 119.950 -0.088 0.000 2.095 1581 F HA -0.218 4.259 4.527 -0.083 0.000 0.298 1581 F C 2.098 177.783 175.800 -0.191 0.000 1.104 1581 F CA 1.055 58.795 58.000 -0.434 0.000 1.232 1581 F CB -0.256 38.542 39.000 -0.335 0.000 0.987 1581 F HN -0.192 nan 8.300 nan 0.000 0.475 1582 V N -0.604 119.268 119.914 -0.070 0.000 2.261 1582 V HA -0.298 3.770 4.120 -0.086 0.000 0.246 1582 V C 2.430 178.453 176.094 -0.117 0.000 1.047 1582 V CA 1.550 63.750 62.300 -0.166 0.000 1.015 1582 V CB -0.917 30.818 31.823 -0.148 0.000 0.642 1582 V HN 0.235 nan 8.190 nan 0.000 0.446 1583 V N -0.271 119.622 119.914 -0.035 0.000 2.223 1583 V HA -0.380 3.688 4.120 -0.086 0.000 0.253 1583 V C 2.432 178.602 176.094 0.127 0.000 1.061 1583 V CA 2.691 65.021 62.300 0.049 0.000 1.035 1583 V CB -0.727 31.128 31.823 0.053 0.000 0.653 1583 V HN 0.526 nan 8.190 nan 0.000 0.454 1584 L N -0.153 121.111 121.223 0.070 0.000 2.021 1584 L HA -0.268 4.020 4.340 -0.086 0.000 0.215 1584 L C 2.473 179.588 176.870 0.409 0.000 1.074 1584 L CA 2.197 57.154 54.840 0.194 0.000 0.760 1584 L CB -0.685 41.353 42.059 -0.035 0.000 0.889 1584 L HN 0.284 nan 8.230 nan 0.000 0.433 1585 K N -0.835 119.633 120.400 0.113 0.000 2.211 1585 K HA -0.187 4.081 4.320 -0.086 0.000 0.204 1585 K C 1.888 178.726 176.600 0.397 0.000 1.047 1585 K CA 1.713 58.084 56.287 0.140 0.000 0.935 1585 K CB -0.112 32.027 32.500 -0.602 0.000 0.728 1585 K HN 0.571 nan 8.250 nan 0.000 0.452 1586 E N -0.381 119.986 120.200 0.277 0.000 2.042 1586 E HA -0.169 4.129 4.350 -0.086 0.000 0.189 1586 E C 1.834 178.649 176.600 0.357 0.000 0.974 1586 E CA 0.781 57.341 56.400 0.265 0.000 0.806 1586 E CB -0.285 29.517 29.700 0.170 0.000 0.769 1586 E HN 0.414 nan 8.360 nan 0.000 0.451 1587 W N 1.474 122.909 121.300 0.225 0.000 2.331 1587 W HA -0.295 4.314 4.660 -0.086 0.000 0.291 1587 W C 2.047 178.779 176.519 0.355 0.000 1.214 1587 W CA 1.592 59.084 57.345 0.244 0.000 1.228 1587 W CB -0.388 29.207 29.460 0.225 0.000 1.135 1587 W HN 0.107 nan 8.180 nan 0.000 0.537 1588 Y N 0.857 121.282 120.300 0.209 0.000 2.200 1588 Y HA -0.167 4.332 4.550 -0.086 0.000 0.290 1588 Y C 2.818 178.756 175.900 0.062 0.000 1.137 1588 Y CA 2.462 60.545 58.100 -0.027 0.000 1.163 1588 Y CB -0.931 37.656 38.460 0.212 0.000 0.988 1588 Y HN -0.090 nan 8.280 nan 0.000 0.518 1589 S N 0.519 116.394 115.700 0.291 0.000 2.365 1589 S HA -0.221 4.198 4.470 -0.086 0.000 0.225 1589 S C 1.613 176.236 174.600 0.039 0.000 1.039 1589 S CA 1.725 60.035 58.200 0.182 0.000 1.033 1589 S CB -0.403 62.935 63.200 0.230 0.000 0.887 1589 S HN 0.612 nan 8.310 nan 0.000 0.447 1590 N N 1.066 119.779 118.700 0.021 0.000 2.459 1590 N HA 0.055 4.744 4.740 -0.086 0.000 0.181 1590 N C 1.200 176.648 175.510 -0.103 0.000 1.046 1590 N CA 0.598 53.635 53.050 -0.023 0.000 0.904 1590 N CB -0.191 38.300 38.487 0.007 0.000 0.964 1590 N HN 0.421 nan 8.380 nan 0.000 0.444 1591 L N -0.169 120.944 121.223 -0.184 0.000 2.616 1591 L HA 0.192 4.480 4.340 -0.086 0.000 0.229 1591 L C 1.103 177.855 176.870 -0.196 0.000 1.110 1591 L CA -0.204 54.475 54.840 -0.268 0.000 0.884 1591 L CB -0.020 41.746 42.059 -0.488 0.000 1.115 1591 L HN -0.051 nan 8.230 nan 0.000 0.481 1592 K N 0.000 120.288 120.400 -0.187 0.000 2.780 1592 K HA 0.000 4.268 4.320 -0.086 0.000 0.191 1592 K CA 0.000 56.199 56.287 -0.146 0.000 0.838 1592 K CB 0.000 32.433 32.500 -0.112 0.000 1.064 1592 K HN 0.000 nan 8.250 nan 0.000 0.543