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 2gox_1_C DATA FIRST_RESID 991 DATA SEQUENCE GSRSTDAERL KHLIVTPSGA GEQNMIGMTP TVIAVHYLDE TEQWEKFGLE DATA SEQUENCE KRQGALELIK KGYTQQLAFR QPSSAFAAFV KRAPSTWLTA YVVKVFSLAV DATA SEQUENCE NLIAIDSQVL cGAVKWLILE KQKPDGVFQE DAPVIHQEMI GGLRNNNEKD DATA SEQUENCE MALTAFVLIS LQEAKDIcEE QVNSLPGSIT KAGDFLEANY MNLQRSYTVA DATA SEQUENCE IAGYALAQMG RLKGPLLNKF LTTAKDKNRW EDPGKQLYNV EATSYALLAL DATA SEQUENCE LQLKDFDFVP PVVRWLNEQR YYGGGYGSTQ ATFMVFQALA QYQKDAP 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 991 G HA2 0.000 nan 3.960 nan 0.000 0.244 991 G HA3 0.000 3.960 3.960 0.000 0.000 0.244 991 G C 0.000 174.989 174.900 0.148 0.000 0.946 991 G CA 0.000 45.136 45.100 0.061 0.000 0.502 992 S N 1.170 117.008 115.700 0.230 0.000 2.419 992 S HA -0.089 4.381 4.470 0.000 0.000 0.235 992 S C 1.691 176.417 174.600 0.210 0.000 1.019 992 S CA 0.560 58.934 58.200 0.290 0.000 0.982 992 S CB -0.127 63.169 63.200 0.161 0.000 0.789 992 S HN 0.814 nan 8.310 nan 0.000 0.490 993 R N 3.292 123.877 120.500 0.141 0.000 2.484 993 R HA 0.131 4.471 4.340 0.000 0.000 0.293 993 R C -0.047 176.339 176.300 0.144 0.000 1.023 993 R CA 0.097 56.261 56.100 0.107 0.000 1.037 993 R CB -0.825 29.520 30.300 0.074 0.000 0.951 993 R HN 0.246 nan 8.270 nan 0.000 0.418 994 S N 1.889 117.664 115.700 0.125 0.000 2.572 994 S HA 0.079 4.550 4.470 0.000 0.000 0.279 994 S C -0.072 174.649 174.600 0.203 0.000 1.341 994 S CA -0.603 57.707 58.200 0.183 0.000 1.043 994 S CB 0.583 63.809 63.200 0.045 0.000 0.887 994 S HN 0.593 nan 8.310 nan 0.000 0.516 995 T N 2.616 117.374 114.554 0.341 0.000 2.928 995 T HA 0.063 4.414 4.350 0.000 0.000 0.305 995 T C 0.114 174.888 174.700 0.123 0.000 1.035 995 T CA 0.185 62.418 62.100 0.221 0.000 1.145 995 T CB 0.033 69.038 68.868 0.227 0.000 0.963 995 T HN 0.794 nan 8.240 nan 0.000 0.545 996 D N 2.049 122.443 120.400 -0.009 0.000 2.382 996 D HA 0.242 4.882 4.640 0.000 0.000 0.259 996 D C 1.256 177.433 176.300 -0.205 0.000 1.224 996 D CA 0.025 53.970 54.000 -0.092 0.000 0.894 996 D CB 0.509 41.253 40.800 -0.093 0.000 1.127 996 D HN 0.503 nan 8.370 nan 0.000 0.487 997 A N 4.325 126.984 122.820 -0.268 0.000 1.954 997 A HA -0.317 4.003 4.320 0.000 0.000 0.222 997 A C 1.978 179.237 177.584 -0.541 0.000 1.199 997 A CA 2.049 53.750 52.037 -0.560 0.000 0.657 997 A CB -0.691 17.870 19.000 -0.731 0.000 0.823 997 A HN 0.682 nan 8.150 nan 0.000 0.463 998 E N -0.547 119.509 120.200 -0.239 0.000 2.085 998 E HA -0.174 4.176 4.350 0.000 0.000 0.194 998 E C 2.044 178.557 176.600 -0.144 0.000 0.994 998 E CA 1.145 57.495 56.400 -0.083 0.000 0.801 998 E CB -0.155 29.530 29.700 -0.025 0.000 0.743 998 E HN 0.390 nan 8.360 nan 0.000 0.453 999 R N -0.313 120.018 120.500 -0.282 0.000 2.293 999 R HA -0.001 4.339 4.340 0.000 0.000 0.219 999 R C 1.624 177.775 176.300 -0.249 0.000 1.091 999 R CA 0.555 56.406 56.100 -0.415 0.000 1.004 999 R CB -0.412 29.276 30.300 -1.020 0.000 0.865 999 R HN 0.305 nan 8.270 nan 0.000 0.469 1000 L N -0.642 120.384 121.223 -0.328 0.000 2.616 1000 L HA 0.169 4.510 4.340 0.000 0.000 0.229 1000 L C 1.951 178.575 176.870 -0.409 0.000 1.110 1000 L CA 0.023 54.585 54.840 -0.464 0.000 0.884 1000 L CB -0.114 41.571 42.059 -0.624 0.000 1.115 1000 L HN 0.076 nan 8.230 nan 0.000 0.481 1001 K N 0.738 121.056 120.400 -0.137 0.000 2.103 1001 K HA -0.212 4.109 4.320 0.000 0.000 0.207 1001 K C 2.167 178.790 176.600 0.040 0.000 1.048 1001 K CA 1.477 57.817 56.287 0.087 0.000 0.930 1001 K CB -0.038 32.621 32.500 0.264 0.000 0.716 1001 K HN 0.473 nan 8.250 nan 0.000 0.444 1002 H N 0.005 119.083 119.070 0.015 0.000 2.560 1002 H HA -0.078 4.478 4.556 0.000 0.000 0.283 1002 H C 1.401 176.743 175.328 0.024 0.000 1.028 1002 H CA 0.742 56.804 56.048 0.024 0.000 1.221 1002 H CB -0.268 29.504 29.762 0.016 0.000 1.363 1002 H HN 0.266 nan 8.280 nan 0.000 0.594 1003 L N 0.906 121.855 121.223 -0.457 0.000 2.558 1003 L HA 0.091 4.432 4.340 0.000 0.000 0.225 1003 L C 0.304 177.129 176.870 -0.074 0.000 1.128 1003 L CA -0.063 54.601 54.840 -0.295 0.000 0.868 1003 L CB 0.129 41.952 42.059 -0.395 0.000 1.006 1003 L HN 0.096 nan 8.230 nan 0.000 0.454 1004 I N 1.130 121.691 120.570 -0.015 0.000 2.308 1004 I HA 0.199 4.369 4.170 0.000 0.000 0.293 1004 I C -0.026 176.132 176.117 0.067 0.000 1.078 1004 I CA 0.151 61.488 61.300 0.061 0.000 1.292 1004 I CB 0.611 38.679 38.000 0.113 0.000 1.423 1004 I HN -0.259 nan 8.210 nan 0.000 0.493 1005 V N 5.349 125.306 119.914 0.071 0.000 2.962 1005 V HA 0.398 4.518 4.120 0.000 0.000 0.313 1005 V C 0.238 176.377 176.094 0.075 0.000 1.099 1005 V CA -0.603 61.742 62.300 0.075 0.000 0.971 1005 V CB 2.761 34.632 31.823 0.079 0.000 1.028 1005 V HN 0.706 nan 8.190 nan 0.000 0.430 1006 T N 6.260 120.857 114.554 0.071 0.000 2.814 1006 T HA 0.307 4.657 4.350 0.000 0.000 0.297 1006 T C -2.482 172.261 174.700 0.072 0.000 0.956 1006 T CA -0.536 61.605 62.100 0.069 0.000 1.123 1006 T CB 0.919 69.825 68.868 0.063 0.000 0.902 1006 T HN 0.486 nan 8.240 nan 0.000 0.528 1007 P HA 0.321 nan 4.420 nan 0.000 0.281 1007 P C -0.797 176.546 177.300 0.072 0.000 1.252 1007 P CA -0.416 62.729 63.100 0.076 0.000 0.778 1007 P CB 0.867 32.620 31.700 0.090 0.000 0.895 1008 S N 1.212 116.946 115.700 0.057 0.000 2.720 1008 S HA 0.876 5.346 4.470 0.000 0.000 0.287 1008 S C 0.102 174.724 174.600 0.036 0.000 1.168 1008 S CA -0.105 58.132 58.200 0.062 0.000 0.832 1008 S CB 1.363 64.603 63.200 0.066 0.000 1.166 1008 S HN 0.857 nan 8.310 nan 0.000 0.493 1009 G N 0.314 109.149 108.800 0.058 0.000 2.660 1009 G HA2 0.405 4.366 3.960 0.000 0.000 0.215 1009 G HA3 0.405 4.366 3.960 0.000 0.000 0.215 1009 G C 0.192 175.081 174.900 -0.018 0.000 1.345 1009 G CA -0.025 45.096 45.100 0.034 0.000 0.877 1009 G HN 1.801 nan 8.290 nan 0.000 0.549 1010 A N -1.404 121.315 122.820 -0.168 0.000 3.204 1010 A HA 0.814 5.134 4.320 0.000 0.000 0.197 1010 A C 2.293 179.191 177.584 -1.143 0.000 1.915 1010 A CA 1.089 52.770 52.037 -0.593 0.000 0.878 1010 A CB -0.514 18.197 19.000 -0.482 0.000 1.868 1010 A HN 2.410 nan 8.150 nan 0.000 0.685 1011 G N -1.281 106.505 108.800 -1.690 0.000 2.443 1011 G HA2 -0.059 3.901 3.960 0.000 0.000 0.219 1011 G HA3 -0.059 3.901 3.960 0.000 0.000 0.219 1011 G C 1.153 175.768 174.900 -0.476 0.000 1.131 1011 G CA 1.256 45.668 45.100 -1.147 0.000 0.775 1011 G HN 0.734 nan 8.290 nan 0.000 0.547 1012 E N -0.640 119.320 120.200 -0.399 0.000 2.079 1012 E HA 0.001 4.351 4.350 0.000 0.000 0.191 1012 E C 2.409 178.863 176.600 -0.243 0.000 0.961 1012 E CA 0.399 56.678 56.400 -0.203 0.000 0.823 1012 E CB -0.079 29.573 29.700 -0.080 0.000 0.789 1012 E HN 0.315 nan 8.360 nan 0.000 0.459 1013 Q N 1.211 120.812 119.800 -0.331 0.000 2.170 1013 Q HA -0.179 4.161 4.340 0.000 0.000 0.203 1013 Q C 1.767 177.675 176.000 -0.153 0.000 0.976 1013 Q CA 1.476 57.095 55.803 -0.307 0.000 0.858 1013 Q CB -0.053 28.547 28.738 -0.230 0.000 0.907 1013 Q HN 0.073 nan 8.270 nan 0.000 0.433 1014 N N -1.304 117.302 118.700 -0.157 0.000 2.223 1014 N HA -0.132 4.608 4.740 0.000 0.000 0.185 1014 N C 1.170 176.679 175.510 -0.003 0.000 1.016 1014 N CA 1.228 54.245 53.050 -0.055 0.000 0.863 1014 N CB 0.093 38.555 38.487 -0.041 0.000 0.983 1014 N HN 0.205 nan 8.380 nan 0.000 0.429 1015 M N -0.157 119.432 119.600 -0.019 0.000 2.349 1015 M HA 0.091 4.571 4.480 0.000 0.000 0.266 1015 M C 1.772 178.160 176.300 0.147 0.000 1.076 1015 M CA 0.607 55.953 55.300 0.078 0.000 1.126 1015 M CB -0.658 32.016 32.600 0.123 0.000 1.392 1015 M HN 0.229 nan 8.290 nan 0.000 0.440 1016 I N -0.229 120.370 120.570 0.049 0.000 2.226 1016 I HA -0.203 3.967 4.170 0.000 0.000 0.245 1016 I C 2.438 178.602 176.117 0.079 0.000 1.100 1016 I CA 1.452 62.778 61.300 0.042 0.000 1.374 1016 I CB -0.787 37.165 38.000 -0.081 0.000 1.057 1016 I HN 0.318 nan 8.210 nan 0.000 0.413 1017 G N 0.021 108.856 108.800 0.058 0.000 2.421 1017 G HA2 -0.212 3.748 3.960 0.000 0.000 0.217 1017 G HA3 -0.212 3.748 3.960 0.000 0.000 0.217 1017 G C 1.725 176.691 174.900 0.109 0.000 1.143 1017 G CA 0.287 45.434 45.100 0.078 0.000 0.784 1017 G HN 0.262 nan 8.290 nan 0.000 0.541 1018 M N 0.636 120.310 119.600 0.123 0.000 2.200 1018 M HA -0.023 4.457 4.480 0.000 0.000 0.265 1018 M C 2.569 178.979 176.300 0.183 0.000 1.066 1018 M CA 1.489 56.877 55.300 0.147 0.000 1.127 1018 M CB -0.272 32.422 32.600 0.157 0.000 1.379 1018 M HN 0.178 nan 8.290 nan 0.000 0.420 1019 T N 1.946 116.636 114.554 0.227 0.000 2.597 1019 T HA -0.133 4.217 4.350 0.000 0.000 0.267 1019 T C -0.872 174.002 174.700 0.290 0.000 1.053 1019 T CA 2.108 64.408 62.100 0.333 0.000 1.165 1019 T CB -1.660 67.459 68.868 0.417 0.000 0.863 1019 T HN 0.424 nan 8.240 nan 0.000 0.427 1020 P HA -0.042 nan 4.420 nan 0.000 0.217 1020 P C 1.417 178.754 177.300 0.062 0.000 1.150 1020 P CA 1.369 64.540 63.100 0.119 0.000 0.832 1020 P CB -0.303 31.447 31.700 0.084 0.000 0.787 1021 T N 0.213 114.820 114.554 0.089 0.000 2.812 1021 T HA -0.051 4.300 4.350 0.000 0.000 0.264 1021 T C 2.063 176.829 174.700 0.109 0.000 1.042 1021 T CA 1.015 63.166 62.100 0.085 0.000 1.140 1021 T CB -1.023 67.904 68.868 0.099 0.000 0.870 1021 T HN -0.138 nan 8.240 nan 0.000 0.445 1022 V N 1.288 121.286 119.914 0.139 0.000 2.252 1022 V HA -0.161 3.959 4.120 0.000 0.000 0.249 1022 V C 2.375 178.543 176.094 0.122 0.000 1.056 1022 V CA 1.523 63.913 62.300 0.150 0.000 1.022 1022 V CB -0.520 31.421 31.823 0.198 0.000 0.641 1022 V HN 0.346 nan 8.190 nan 0.000 0.445 1023 I N 0.037 120.657 120.570 0.083 0.000 2.353 1023 I HA -0.073 4.097 4.170 0.000 0.000 0.248 1023 I C 2.378 178.507 176.117 0.020 0.000 1.119 1023 I CA 1.374 62.666 61.300 -0.013 0.000 1.417 1023 I CB -0.693 37.245 38.000 -0.103 0.000 1.078 1023 I HN 0.186 nan 8.210 nan 0.000 0.421 1024 A N -0.286 122.489 122.820 -0.075 0.000 1.873 1024 A HA -0.207 4.113 4.320 0.000 0.000 0.218 1024 A C 2.410 179.995 177.584 0.000 0.000 1.193 1024 A CA 2.458 54.385 52.037 -0.183 0.000 0.629 1024 A CB -1.299 17.581 19.000 -0.200 0.000 0.826 1024 A HN 0.267 nan 8.150 nan 0.000 0.447 1025 V N -0.516 119.492 119.914 0.156 0.000 2.261 1025 V HA -0.306 3.814 4.120 0.000 0.000 0.246 1025 V C 2.446 178.714 176.094 0.290 0.000 1.047 1025 V CA 2.624 65.128 62.300 0.340 0.000 1.015 1025 V CB -1.135 30.878 31.823 0.317 0.000 0.642 1025 V HN 0.855 nan 8.190 nan 0.000 0.446 1026 H N -0.785 118.358 119.070 0.122 0.000 2.292 1026 H HA -0.324 4.232 4.556 0.000 0.000 0.292 1026 H C 2.142 177.521 175.328 0.086 0.000 1.100 1026 H CA 2.867 58.968 56.048 0.087 0.000 1.238 1026 H CB -0.451 29.336 29.762 0.040 0.000 1.355 1026 H HN 0.499 nan 8.280 nan 0.000 0.484 1027 Y N -0.286 120.027 120.300 0.022 0.000 2.181 1027 Y HA -0.146 4.405 4.550 0.000 0.000 0.288 1027 Y C 2.093 177.891 175.900 -0.170 0.000 1.146 1027 Y CA 1.272 59.329 58.100 -0.072 0.000 1.164 1027 Y CB -0.376 38.051 38.460 -0.055 0.000 0.982 1027 Y HN 0.240 nan 8.280 nan 0.000 0.515 1028 L N 0.394 121.498 121.223 -0.198 0.000 2.131 1028 L HA -0.195 4.145 4.340 0.000 0.000 0.210 1028 L C 1.931 178.623 176.870 -0.296 0.000 1.092 1028 L CA 1.692 56.230 54.840 -0.503 0.000 0.759 1028 L CB -1.152 40.296 42.059 -1.020 0.000 0.903 1028 L HN 0.206 nan 8.230 nan 0.000 0.435 1029 D N -0.822 119.622 120.400 0.073 0.000 2.084 1029 D HA -0.201 4.439 4.640 0.000 0.000 0.194 1029 D C 2.166 178.429 176.300 -0.062 0.000 0.990 1029 D CA 1.075 55.176 54.000 0.169 0.000 0.826 1029 D CB 0.058 40.932 40.800 0.124 0.000 0.971 1029 D HN 0.254 nan 8.370 nan 0.000 0.453 1030 E N 0.006 120.073 120.200 -0.221 0.000 2.085 1030 E HA -0.143 4.207 4.350 0.000 0.000 0.194 1030 E C 1.735 178.181 176.600 -0.257 0.000 0.994 1030 E CA 2.050 58.300 56.400 -0.250 0.000 0.801 1030 E CB -0.388 29.122 29.700 -0.317 0.000 0.743 1030 E HN 0.337 nan 8.360 nan 0.000 0.453 1031 T N -2.512 111.804 114.554 -0.396 0.000 3.129 1031 T HA 0.114 4.464 4.350 0.000 0.000 0.251 1031 T C 0.241 174.803 174.700 -0.230 0.000 1.117 1031 T CA 0.523 62.407 62.100 -0.361 0.000 1.034 1031 T CB -0.360 68.159 68.868 -0.582 0.000 0.968 1031 T HN 0.324 nan 8.240 nan 0.000 0.526 1032 E N 0.521 120.621 120.200 -0.167 0.000 2.637 1032 E HA -0.213 4.138 4.350 0.000 0.000 0.265 1032 E C 0.387 176.946 176.600 -0.068 0.000 1.073 1032 E CA 0.466 56.834 56.400 -0.053 0.000 0.778 1032 E CB -1.499 28.183 29.700 -0.031 0.000 1.362 1032 E HN 0.716 nan 8.360 nan 0.000 0.413 1033 Q N -1.391 118.280 119.800 -0.215 0.000 2.322 1033 Q HA -0.012 4.328 4.340 0.000 0.000 0.203 1033 Q C 0.987 176.920 176.000 -0.111 0.000 0.923 1033 Q CA 0.108 55.784 55.803 -0.211 0.000 0.949 1033 Q CB 0.096 28.627 28.738 -0.345 0.000 1.039 1033 Q HN 0.502 nan 8.270 nan 0.000 0.496 1034 W N 1.015 122.343 121.300 0.047 0.000 2.453 1034 W HA -0.101 4.560 4.660 0.000 0.000 0.289 1034 W C 2.643 179.218 176.519 0.093 0.000 1.215 1034 W CA 1.200 58.615 57.345 0.117 0.000 1.297 1034 W CB 0.191 29.690 29.460 0.065 0.000 1.113 1034 W HN 0.324 nan 8.180 nan 0.000 0.551 1035 E N 1.251 121.610 120.200 0.264 0.000 2.106 1035 E HA -0.148 4.202 4.350 0.000 0.000 0.192 1035 E C 1.769 178.439 176.600 0.117 0.000 0.984 1035 E CA 2.249 58.741 56.400 0.153 0.000 0.806 1035 E CB -1.093 28.665 29.700 0.096 0.000 0.750 1035 E HN 0.299 nan 8.360 nan 0.000 0.458 1036 K N 0.116 120.579 120.400 0.105 0.000 1.993 1036 K HA 0.130 4.450 4.320 0.000 0.000 0.222 1036 K C 1.915 178.611 176.600 0.160 0.000 1.021 1036 K CA 1.240 57.586 56.287 0.098 0.000 1.023 1036 K CB -1.502 31.037 32.500 0.065 0.000 0.799 1036 K HN 0.429 nan 8.250 nan 0.000 0.444 1037 F N 0.787 120.723 119.950 -0.024 0.000 2.115 1037 F HA -0.224 4.303 4.527 -0.000 0.000 0.279 1037 F C 1.224 177.065 175.800 0.069 0.000 1.092 1037 F CA 3.177 61.162 58.000 -0.025 0.000 1.346 1037 F CB -0.692 38.218 39.000 -0.152 0.000 0.919 1037 F HN 0.900 nan 8.300 nan 0.000 0.505 1038 G N -1.244 107.638 108.800 0.137 0.000 2.496 1038 G HA2 0.171 4.131 3.960 0.000 0.000 0.220 1038 G HA3 0.171 4.131 3.960 0.000 0.000 0.220 1038 G C 0.047 175.069 174.900 0.202 0.000 3.253 1038 G CA -0.139 44.972 45.100 0.019 0.000 0.843 1038 G HN 0.422 nan 8.290 nan 0.000 0.512 1039 L N 1.102 122.443 121.223 0.197 0.000 2.230 1039 L HA -0.162 4.178 4.340 0.000 0.000 0.217 1039 L C 2.698 179.510 176.870 -0.097 0.000 1.090 1039 L CA 3.008 57.888 54.840 0.067 0.000 0.771 1039 L CB -0.090 41.983 42.059 0.024 0.000 0.892 1039 L HN 0.789 nan 8.230 nan 0.000 0.438 1040 E N -1.058 119.108 120.200 -0.057 0.000 2.318 1040 E HA -0.160 4.190 4.350 0.000 0.000 0.193 1040 E C 1.877 178.426 176.600 -0.085 0.000 0.998 1040 E CA 0.547 56.894 56.400 -0.089 0.000 0.859 1040 E CB -0.388 29.275 29.700 -0.062 0.000 0.812 1040 E HN 0.422 nan 8.360 nan 0.000 0.492 1041 K N 1.105 121.482 120.400 -0.039 0.000 2.152 1041 K HA -0.093 4.227 4.320 0.000 0.000 0.206 1041 K C 2.354 178.957 176.600 0.005 0.000 1.048 1041 K CA 1.451 57.756 56.287 0.030 0.000 0.933 1041 K CB -0.198 32.353 32.500 0.085 0.000 0.721 1041 K HN 0.025 nan 8.250 nan 0.000 0.447 1042 R N 0.989 121.299 120.500 -0.317 0.000 2.091 1042 R HA -0.229 4.111 4.340 0.000 0.000 0.238 1042 R C 2.344 178.448 176.300 -0.326 0.000 1.136 1042 R CA 1.747 57.406 56.100 -0.736 0.000 0.959 1042 R CB -0.031 29.349 30.300 -1.534 0.000 0.856 1042 R HN 0.113 nan 8.270 nan 0.000 0.437 1043 Q N -0.311 119.348 119.800 -0.234 0.000 2.119 1043 Q HA -0.036 4.304 4.340 0.000 0.000 0.201 1043 Q C 1.802 177.753 176.000 -0.081 0.000 0.972 1043 Q CA 1.970 57.684 55.803 -0.148 0.000 0.847 1043 Q CB -0.607 28.058 28.738 -0.122 0.000 0.903 1043 Q HN 0.432 nan 8.270 nan 0.000 0.433 1044 G N 0.248 109.016 108.800 -0.053 0.000 2.480 1044 G HA2 -0.287 3.673 3.960 0.000 0.000 0.216 1044 G HA3 -0.287 3.673 3.960 0.000 0.000 0.216 1044 G C 1.513 176.423 174.900 0.015 0.000 1.200 1044 G CA 1.411 46.505 45.100 -0.010 0.000 0.782 1044 G HN 0.549 nan 8.290 nan 0.000 0.554 1045 A N 0.247 123.090 122.820 0.040 0.000 1.917 1045 A HA -0.040 4.280 4.320 0.000 0.000 0.219 1045 A C 2.384 179.988 177.584 0.035 0.000 1.182 1045 A CA 1.756 53.837 52.037 0.072 0.000 0.633 1045 A CB -0.448 18.645 19.000 0.154 0.000 0.819 1045 A HN 0.311 nan 8.150 nan 0.000 0.448 1046 L N -0.618 120.596 121.223 -0.014 0.000 2.083 1046 L HA -0.110 4.231 4.340 0.000 0.000 0.209 1046 L C 2.364 179.226 176.870 -0.014 0.000 1.083 1046 L CA 2.179 57.002 54.840 -0.028 0.000 0.752 1046 L CB -1.281 40.734 42.059 -0.072 0.000 0.899 1046 L HN 0.447 nan 8.230 nan 0.000 0.433 1047 E N -0.475 119.719 120.200 -0.011 0.000 2.077 1047 E HA -0.171 4.179 4.350 0.000 0.000 0.193 1047 E C 2.327 178.943 176.600 0.027 0.000 0.989 1047 E CA 0.958 57.360 56.400 0.004 0.000 0.800 1047 E CB -0.214 29.487 29.700 0.001 0.000 0.746 1047 E HN 0.368 nan 8.360 nan 0.000 0.452 1048 L N -0.059 121.186 121.223 0.037 0.000 2.083 1048 L HA -0.187 4.153 4.340 0.000 0.000 0.209 1048 L C 2.302 179.213 176.870 0.067 0.000 1.083 1048 L CA 0.953 55.826 54.840 0.056 0.000 0.752 1048 L CB -0.410 41.687 42.059 0.064 0.000 0.899 1048 L HN 0.207 nan 8.230 nan 0.000 0.433 1049 I N -0.201 120.404 120.570 0.059 0.000 2.142 1049 I HA -0.324 3.846 4.170 0.000 0.000 0.240 1049 I C 2.686 178.840 176.117 0.062 0.000 1.078 1049 I CA 1.366 62.703 61.300 0.062 0.000 1.343 1049 I CB -0.309 37.715 38.000 0.039 0.000 1.046 1049 I HN 0.193 nan 8.210 nan 0.000 0.405 1050 K N 1.235 121.655 120.400 0.033 0.000 2.074 1050 K HA -0.284 4.036 4.320 0.000 0.000 0.209 1050 K C 2.244 178.912 176.600 0.113 0.000 1.048 1050 K CA 1.783 58.103 56.287 0.054 0.000 0.926 1050 K CB -0.089 32.421 32.500 0.016 0.000 0.713 1050 K HN 0.135 nan 8.250 nan 0.000 0.444 1051 K N -0.527 119.925 120.400 0.086 0.000 2.057 1051 K HA -0.108 4.212 4.320 0.000 0.000 0.206 1051 K C 2.041 178.707 176.600 0.109 0.000 1.050 1051 K CA 1.591 57.931 56.287 0.088 0.000 0.935 1051 K CB -0.270 32.272 32.500 0.070 0.000 0.715 1051 K HN 0.305 nan 8.250 nan 0.000 0.439 1052 G N 0.174 109.048 108.800 0.123 0.000 2.418 1052 G HA2 -0.300 3.660 3.960 0.000 0.000 0.217 1052 G HA3 -0.300 3.660 3.960 0.000 0.000 0.217 1052 G C 1.382 176.388 174.900 0.177 0.000 1.158 1052 G CA 0.882 46.069 45.100 0.145 0.000 0.771 1052 G HN 0.447 nan 8.290 nan 0.000 0.545 1053 Y N 2.113 122.432 120.300 0.031 0.000 2.089 1053 Y HA -0.175 4.375 4.550 0.000 0.000 0.282 1053 Y C 3.059 178.980 175.900 0.035 0.000 1.139 1053 Y CA 2.384 60.446 58.100 -0.064 0.000 1.123 1053 Y CB -0.697 37.588 38.460 -0.291 0.000 0.980 1053 Y HN 0.188 nan 8.280 nan 0.000 0.493 1054 T N 0.747 115.293 114.554 -0.013 0.000 2.665 1054 T HA -0.296 4.054 4.350 0.000 0.000 0.268 1054 T C 1.754 176.429 174.700 -0.042 0.000 1.035 1054 T CA 2.106 64.166 62.100 -0.066 0.000 1.151 1054 T CB -0.395 68.508 68.868 0.059 0.000 0.862 1054 T HN 0.489 nan 8.240 nan 0.000 0.438 1055 Q N 0.152 119.983 119.800 0.052 0.000 2.124 1055 Q HA -0.143 4.198 4.340 0.000 0.000 0.202 1055 Q C 2.527 178.665 176.000 0.230 0.000 0.977 1055 Q CA 1.137 57.018 55.803 0.129 0.000 0.850 1055 Q CB -0.175 28.666 28.738 0.173 0.000 0.901 1055 Q HN 0.358 nan 8.270 nan 0.000 0.429 1056 Q N 0.888 120.808 119.800 0.200 0.000 2.124 1056 Q HA -0.112 4.228 4.340 0.000 0.000 0.202 1056 Q C 1.726 177.936 176.000 0.349 0.000 0.977 1056 Q CA 1.304 57.290 55.803 0.305 0.000 0.850 1056 Q CB -0.164 28.718 28.738 0.240 0.000 0.901 1056 Q HN 0.405 nan 8.270 nan 0.000 0.429 1057 L N -0.414 120.873 121.223 0.107 0.000 2.265 1057 L HA -0.104 4.236 4.340 0.000 0.000 0.215 1057 L C 2.098 178.955 176.870 -0.023 0.000 1.117 1057 L CA 0.743 55.618 54.840 0.058 0.000 0.782 1057 L CB -0.684 41.305 42.059 -0.116 0.000 0.914 1057 L HN 0.217 nan 8.230 nan 0.000 0.441 1058 A N -0.527 122.219 122.820 -0.123 0.000 2.172 1058 A HA -0.092 4.228 4.320 0.000 0.000 0.216 1058 A C 1.539 178.734 177.584 -0.648 0.000 1.154 1058 A CA 1.135 52.922 52.037 -0.417 0.000 0.701 1058 A CB -0.488 18.167 19.000 -0.575 0.000 0.789 1058 A HN 0.421 nan 8.150 nan 0.000 0.465 1059 F N -0.987 119.012 119.950 0.081 0.000 2.682 1059 F HA 0.290 4.817 4.527 0.000 0.000 0.308 1059 F C 0.938 176.696 175.800 -0.070 0.000 1.093 1059 F CA -0.502 57.542 58.000 0.073 0.000 1.244 1059 F CB 0.225 39.311 39.000 0.143 0.000 1.052 1059 F HN 0.014 nan 8.300 nan 0.000 0.573 1060 R N 2.459 122.901 120.500 -0.096 0.000 2.404 1060 R HA 0.110 4.450 4.340 0.000 0.000 0.315 1060 R C 0.016 176.059 176.300 -0.428 0.000 1.032 1060 R CA 0.076 55.796 56.100 -0.632 0.000 0.992 1060 R CB 0.364 30.441 30.300 -0.372 0.000 0.959 1060 R HN 0.325 nan 8.270 nan 0.000 0.428 1061 Q N 4.713 124.209 119.800 -0.506 0.000 2.318 1061 Q HA 0.122 4.462 4.340 0.000 0.000 0.222 1061 Q C -1.667 174.172 176.000 -0.268 0.000 1.003 1061 Q CA -1.836 53.781 55.803 -0.310 0.000 0.936 1061 Q CB 0.700 29.264 28.738 -0.289 0.000 1.204 1061 Q HN 0.489 nan 8.270 nan 0.000 0.524 1062 P HA -0.224 nan 4.420 nan 0.000 0.216 1062 P C 1.117 178.348 177.300 -0.115 0.000 1.150 1062 P CA 1.715 64.747 63.100 -0.113 0.000 0.843 1062 P CB 0.078 31.740 31.700 -0.064 0.000 0.787 1063 S N -2.268 113.343 115.700 -0.149 0.000 2.537 1063 S HA -0.088 4.382 4.470 0.000 0.000 0.240 1063 S C 1.305 175.771 174.600 -0.223 0.000 0.981 1063 S CA 1.026 59.146 58.200 -0.133 0.000 0.948 1063 S CB -1.115 61.957 63.200 -0.214 0.000 0.759 1063 S HN 0.071 nan 8.310 nan 0.000 0.531 1064 S N -0.499 115.019 115.700 -0.303 0.000 2.769 1064 S HA -0.182 4.288 4.470 0.000 0.000 0.264 1064 S C 0.635 174.861 174.600 -0.623 0.000 1.288 1064 S CA 0.709 58.699 58.200 -0.351 0.000 1.378 1064 S CB -2.172 60.967 63.200 -0.102 0.000 1.702 1064 S HN 1.323 nan 8.310 nan 0.000 0.656 1065 A N 0.110 122.347 122.820 -0.973 0.000 2.280 1065 A HA 0.730 5.051 4.320 0.000 0.000 0.268 1065 A C -0.136 176.886 177.584 -0.937 0.000 1.111 1065 A CA 0.180 51.538 52.037 -1.132 0.000 0.814 1065 A CB 0.217 17.931 19.000 -2.145 0.000 1.093 1065 A HN 0.316 nan 8.150 nan 0.000 0.498 1066 F N -1.546 118.189 119.950 -0.358 0.000 2.577 1066 F HA 0.728 5.256 4.527 0.000 0.000 0.318 1066 F C 0.476 176.211 175.800 -0.108 0.000 1.065 1066 F CA 0.183 58.086 58.000 -0.161 0.000 0.929 1066 F CB 2.321 41.250 39.000 -0.118 0.000 1.237 1066 F HN 0.826 nan 8.300 nan 0.000 0.468 1067 A N 0.333 123.233 122.820 0.133 0.000 2.602 1067 A HA 0.733 5.053 4.320 0.000 0.000 0.290 1067 A C 0.339 177.893 177.584 -0.049 0.000 1.114 1067 A CA -0.199 51.875 52.037 0.061 0.000 0.683 1067 A CB 0.605 19.645 19.000 0.068 0.000 1.281 1067 A HN 1.061 nan 8.150 nan 0.000 0.416 1068 A N -0.345 122.347 122.820 -0.214 0.000 1.958 1068 A HA 0.242 4.562 4.320 0.000 0.000 0.221 1068 A C 0.345 177.388 177.584 -0.902 0.000 1.178 1068 A CA 1.880 53.508 52.037 -0.681 0.000 0.642 1068 A CB -0.606 17.894 19.000 -0.833 0.000 0.816 1068 A HN 0.922 nan 8.150 nan 0.000 0.453 1069 F N -2.954 117.090 119.950 0.157 0.000 2.576 1069 F HA 0.421 4.948 4.527 0.000 0.000 0.313 1069 F C 1.083 177.015 175.800 0.219 0.000 1.078 1069 F CA -0.609 57.548 58.000 0.261 0.000 0.921 1069 F CB 1.649 40.743 39.000 0.156 0.000 1.232 1069 F HN -0.088 nan 8.300 nan 0.000 0.459 1070 V N -0.774 119.354 119.914 0.358 0.000 2.594 1070 V HA -0.134 3.986 4.120 0.000 0.000 0.253 1070 V C 1.449 177.610 176.094 0.112 0.000 1.069 1070 V CA 1.446 63.841 62.300 0.158 0.000 1.082 1070 V CB -0.625 31.228 31.823 0.051 0.000 0.680 1070 V HN 0.691 nan 8.190 nan 0.000 0.469 1071 K N 0.574 121.064 120.400 0.151 0.000 2.404 1071 K HA 0.220 4.540 4.320 0.000 0.000 0.194 1071 K C 1.046 177.722 176.600 0.126 0.000 1.023 1071 K CA -0.130 56.220 56.287 0.105 0.000 1.094 1071 K CB -0.019 32.524 32.500 0.073 0.000 0.841 1071 K HN 0.556 nan 8.250 nan 0.000 0.523 1072 R N 1.271 121.887 120.500 0.194 0.000 2.643 1072 R HA 0.180 4.520 4.340 0.000 0.000 0.270 1072 R C -0.349 176.022 176.300 0.118 0.000 1.061 1072 R CA 0.020 56.228 56.100 0.179 0.000 1.107 1072 R CB 0.501 30.953 30.300 0.253 0.000 0.999 1072 R HN 0.029 nan 8.270 nan 0.000 0.460 1073 A N 6.278 129.164 122.820 0.109 0.000 2.565 1073 A HA 0.158 4.478 4.320 0.000 0.000 0.237 1073 A C -1.999 175.653 177.584 0.112 0.000 1.053 1073 A CA -0.890 51.211 52.037 0.107 0.000 0.755 1073 A CB -0.272 18.795 19.000 0.110 0.000 0.980 1073 A HN 0.624 nan 8.150 nan 0.000 0.506 1074 P HA 0.146 nan 4.420 nan 0.000 0.275 1074 P C -0.308 177.112 177.300 0.199 0.000 1.228 1074 P CA -0.161 62.973 63.100 0.057 0.000 0.786 1074 P CB 1.223 32.826 31.700 -0.162 0.000 0.927 1075 S N 1.376 117.183 115.700 0.179 0.000 2.475 1075 S HA 0.192 4.662 4.470 0.000 0.000 0.281 1075 S C 1.356 176.173 174.600 0.362 0.000 1.198 1075 S CA -0.285 58.069 58.200 0.257 0.000 1.063 1075 S CB -0.153 63.184 63.200 0.229 0.000 0.972 1075 S HN 0.394 nan 8.310 nan 0.000 0.486 1076 T N 4.779 119.576 114.554 0.406 0.000 2.674 1076 T HA -0.129 4.221 4.350 0.000 0.000 0.265 1076 T C 1.224 176.130 174.700 0.344 0.000 1.039 1076 T CA 1.727 64.080 62.100 0.422 0.000 1.150 1076 T CB -0.507 68.546 68.868 0.307 0.000 0.864 1076 T HN 0.886 nan 8.240 nan 0.000 0.427 1077 W N 1.358 122.748 121.300 0.148 0.000 2.333 1077 W HA -0.149 4.511 4.660 0.000 0.000 0.316 1077 W C 2.028 178.652 176.519 0.175 0.000 1.215 1077 W CA 0.900 58.297 57.345 0.088 0.000 1.278 1077 W CB -0.629 28.756 29.460 -0.126 0.000 1.154 1077 W HN 0.145 nan 8.180 nan 0.000 0.486 1078 L N 0.629 122.093 121.223 0.402 0.000 2.017 1078 L HA -0.199 4.141 4.340 0.000 0.000 0.208 1078 L C 2.423 179.299 176.870 0.010 0.000 1.073 1078 L CA 2.824 57.799 54.840 0.225 0.000 0.745 1078 L CB -1.337 40.879 42.059 0.262 0.000 0.894 1078 L HN -0.034 nan 8.230 nan 0.000 0.432 1079 T N -0.228 114.396 114.554 0.117 0.000 2.720 1079 T HA -0.203 4.147 4.350 0.000 0.000 0.268 1079 T C 1.848 176.531 174.700 -0.028 0.000 1.037 1079 T CA 1.439 63.611 62.100 0.120 0.000 1.144 1079 T CB -0.572 68.440 68.868 0.240 0.000 0.864 1079 T HN 0.521 nan 8.240 nan 0.000 0.444 1080 A N 0.099 122.904 122.820 -0.025 0.000 1.968 1080 A HA 0.001 4.321 4.320 0.000 0.000 0.217 1080 A C 2.080 179.479 177.584 -0.308 0.000 1.169 1080 A CA 1.008 52.953 52.037 -0.153 0.000 0.638 1080 A CB -0.805 18.137 19.000 -0.098 0.000 0.812 1080 A HN 0.534 nan 8.150 nan 0.000 0.446 1081 Y N 0.561 120.568 120.300 -0.487 0.000 2.200 1081 Y HA -0.135 4.416 4.550 0.000 0.000 0.290 1081 Y C 2.358 177.925 175.900 -0.555 0.000 1.137 1081 Y CA 1.552 59.280 58.100 -0.620 0.000 1.163 1081 Y CB -0.409 37.414 38.460 -1.062 0.000 0.988 1081 Y HN 0.065 nan 8.280 nan 0.000 0.518 1082 V N -0.976 118.534 119.914 -0.674 0.000 2.332 1082 V HA -0.320 3.800 4.120 0.000 0.000 0.248 1082 V C 2.402 177.945 176.094 -0.919 0.000 1.055 1082 V CA 1.741 63.430 62.300 -1.019 0.000 1.038 1082 V CB -0.936 30.088 31.823 -1.330 0.000 0.651 1082 V HN 0.307 nan 8.190 nan 0.000 0.450 1083 V N -0.099 119.480 119.914 -0.559 0.000 2.287 1083 V HA -0.323 3.797 4.120 0.000 0.000 0.248 1083 V C 2.453 178.365 176.094 -0.304 0.000 1.053 1083 V CA 2.479 64.586 62.300 -0.322 0.000 1.027 1083 V CB -0.673 31.028 31.823 -0.203 0.000 0.646 1083 V HN 0.571 nan 8.190 nan 0.000 0.447 1084 K N -0.164 119.971 120.400 -0.442 0.000 2.032 1084 K HA -0.177 4.144 4.320 0.000 0.000 0.209 1084 K C 2.022 178.395 176.600 -0.378 0.000 1.048 1084 K CA 1.959 57.990 56.287 -0.427 0.000 0.927 1084 K CB -0.159 31.979 32.500 -0.603 0.000 0.712 1084 K HN 0.363 nan 8.250 nan 0.000 0.441 1085 V N 0.827 120.388 119.914 -0.589 0.000 2.346 1085 V HA -0.178 3.942 4.120 0.000 0.000 0.244 1085 V C 2.222 178.378 176.094 0.104 0.000 1.037 1085 V CA 1.322 63.439 62.300 -0.305 0.000 1.029 1085 V CB -0.588 30.925 31.823 -0.516 0.000 0.663 1085 V HN 0.203 nan 8.190 nan 0.000 0.454 1086 F N 1.097 120.946 119.950 -0.168 0.000 2.161 1086 F HA -0.139 4.388 4.527 0.000 0.000 0.300 1086 F C 2.721 178.489 175.800 -0.054 0.000 1.089 1086 F CA 1.341 59.299 58.000 -0.070 0.000 1.282 1086 F CB -1.357 37.627 39.000 -0.027 0.000 1.010 1086 F HN 0.091 nan 8.300 nan 0.000 0.485 1087 S N 0.297 116.075 115.700 0.129 0.000 2.356 1087 S HA -0.181 4.289 4.470 0.000 0.000 0.223 1087 S C 2.213 176.854 174.600 0.068 0.000 1.032 1087 S CA 1.026 59.267 58.200 0.070 0.000 1.005 1087 S CB -0.679 62.535 63.200 0.024 0.000 0.867 1087 S HN 0.360 nan 8.310 nan 0.000 0.449 1088 L N 1.102 122.377 121.223 0.087 0.000 2.141 1088 L HA -0.020 4.320 4.340 0.000 0.000 0.209 1088 L C 2.156 179.069 176.870 0.072 0.000 1.094 1088 L CA 1.166 56.047 54.840 0.068 0.000 0.763 1088 L CB -0.382 41.715 42.059 0.063 0.000 0.908 1088 L HN 0.324 nan 8.230 nan 0.000 0.437 1089 A N -0.929 121.938 122.820 0.077 0.000 2.239 1089 A HA -0.033 4.287 4.320 0.000 0.000 0.209 1089 A C 2.062 179.622 177.584 -0.040 0.000 1.171 1089 A CA 0.975 53.027 52.037 0.025 0.000 0.768 1089 A CB -0.856 18.141 19.000 -0.005 0.000 0.790 1089 A HN 0.434 nan 8.150 nan 0.000 0.478 1090 V N -2.074 117.827 119.914 -0.021 0.000 2.720 1090 V HA -0.226 3.894 4.120 0.000 0.000 0.256 1090 V C 1.418 177.490 176.094 -0.038 0.000 1.082 1090 V CA 2.279 64.548 62.300 -0.051 0.000 1.101 1090 V CB -1.277 30.534 31.823 -0.019 0.000 0.693 1090 V HN 0.520 nan 8.190 nan 0.000 0.479 1091 N N 0.059 118.760 118.700 0.002 0.000 2.463 1091 N HA 0.254 4.995 4.740 0.000 0.000 0.181 1091 N C 1.378 176.882 175.510 -0.010 0.000 1.078 1091 N CA 0.822 53.879 53.050 0.011 0.000 0.902 1091 N CB 0.070 38.592 38.487 0.058 0.000 0.970 1091 N HN 0.499 nan 8.380 nan 0.000 0.451 1092 L N -0.419 120.787 121.223 -0.028 0.000 2.624 1092 L HA 0.381 4.721 4.340 0.000 0.000 0.222 1092 L C 0.342 177.161 176.870 -0.085 0.000 1.046 1092 L CA 0.056 54.873 54.840 -0.039 0.000 0.872 1092 L CB 0.206 42.264 42.059 -0.001 0.000 1.190 1092 L HN 0.112 nan 8.230 nan 0.000 0.487 1093 I N -2.712 117.777 120.570 -0.135 0.000 3.279 1093 I HA 0.630 4.800 4.170 0.000 0.000 0.315 1093 I C -0.667 175.301 176.117 -0.248 0.000 1.187 1093 I CA -1.045 60.145 61.300 -0.185 0.000 0.953 1093 I CB 1.605 39.477 38.000 -0.214 0.000 1.279 1093 I HN -0.123 nan 8.210 nan 0.000 0.465 1094 A N 3.555 126.222 122.820 -0.255 0.000 2.524 1094 A HA 0.524 4.844 4.320 0.000 0.000 0.250 1094 A C -0.347 176.919 177.584 -0.530 0.000 1.078 1094 A CA 0.103 51.977 52.037 -0.271 0.000 0.761 1094 A CB -0.369 18.529 19.000 -0.171 0.000 1.012 1094 A HN 0.475 nan 8.150 nan 0.000 0.500 1095 I N 3.168 123.489 120.570 -0.415 0.000 2.447 1095 I HA 0.195 4.365 4.170 0.000 0.000 0.287 1095 I C -0.434 175.606 176.117 -0.128 0.000 1.023 1095 I CA -0.627 60.380 61.300 -0.488 0.000 1.083 1095 I CB 1.694 39.485 38.000 -0.347 0.000 1.245 1095 I HN 0.651 nan 8.210 nan 0.000 0.434 1096 D N 4.368 124.808 120.400 0.066 0.000 2.338 1096 D HA 0.039 4.679 4.640 0.000 0.000 0.255 1096 D C 1.319 177.699 176.300 0.133 0.000 1.237 1096 D CA 0.186 54.261 54.000 0.124 0.000 0.883 1096 D CB 1.266 42.178 40.800 0.186 0.000 1.087 1096 D HN 0.608 nan 8.370 nan 0.000 0.485 1097 S N 3.222 118.971 115.700 0.081 0.000 2.419 1097 S HA -0.219 4.251 4.470 0.000 0.000 0.233 1097 S C 1.518 176.177 174.600 0.100 0.000 1.016 1097 S CA 0.883 59.134 58.200 0.084 0.000 0.974 1097 S CB -0.106 63.124 63.200 0.051 0.000 0.786 1097 S HN 0.599 nan 8.310 nan 0.000 0.492 1098 Q N 0.453 120.310 119.800 0.094 0.000 2.167 1098 Q HA -0.003 4.337 4.340 0.000 0.000 0.202 1098 Q C 2.298 178.367 176.000 0.115 0.000 0.970 1098 Q CA 1.397 57.254 55.803 0.089 0.000 0.855 1098 Q CB -0.368 28.410 28.738 0.067 0.000 0.911 1098 Q HN 0.555 nan 8.270 nan 0.000 0.438 1099 V N 0.815 120.824 119.914 0.160 0.000 2.270 1099 V HA -0.248 3.872 4.120 0.000 0.000 0.245 1099 V C 2.129 178.375 176.094 0.253 0.000 1.043 1099 V CA 1.354 63.785 62.300 0.218 0.000 1.014 1099 V CB -0.565 31.446 31.823 0.314 0.000 0.645 1099 V HN 0.283 nan 8.190 nan 0.000 0.447 1100 L N 0.264 121.648 121.223 0.268 0.000 1.976 1100 L HA -0.165 4.175 4.340 0.000 0.000 0.209 1100 L C 2.461 179.419 176.870 0.148 0.000 1.071 1100 L CA 2.239 57.215 54.840 0.228 0.000 0.746 1100 L CB -1.002 41.190 42.059 0.221 0.000 0.890 1100 L HN 0.432 nan 8.230 nan 0.000 0.432 1101 c N -0.337 118.336 118.600 0.121 0.000 2.422 1101 c HA -0.026 4.544 4.570 0.000 0.000 0.279 1101 c C 2.755 176.911 174.090 0.110 0.000 1.305 1101 c CA 0.332 56.718 56.329 0.096 0.000 1.757 1101 c CB -2.070 40.485 42.510 0.075 0.000 1.962 1101 c HN 0.741 nan 8.230 nan 0.000 0.499 1102 G N 0.838 109.707 108.800 0.115 0.000 2.440 1102 G HA2 -0.071 3.890 3.960 0.000 0.000 0.218 1102 G HA3 -0.071 3.890 3.960 0.000 0.000 0.218 1102 G C 1.887 176.883 174.900 0.159 0.000 1.154 1102 G CA 1.114 46.284 45.100 0.115 0.000 0.767 1102 G HN 0.614 nan 8.290 nan 0.000 0.552 1103 A N 0.137 123.056 122.820 0.166 0.000 1.883 1103 A HA 0.036 4.356 4.320 0.000 0.000 0.217 1103 A C 2.633 180.374 177.584 0.263 0.000 1.186 1103 A CA 1.972 54.140 52.037 0.217 0.000 0.624 1103 A CB -0.735 18.402 19.000 0.229 0.000 0.822 1103 A HN 0.279 nan 8.150 nan 0.000 0.444 1104 V N 0.150 120.163 119.914 0.164 0.000 2.287 1104 V HA -0.301 3.819 4.120 0.000 0.000 0.248 1104 V C 2.542 178.726 176.094 0.151 0.000 1.053 1104 V CA 2.472 64.843 62.300 0.119 0.000 1.027 1104 V CB -0.693 31.171 31.823 0.068 0.000 0.646 1104 V HN 0.637 nan 8.190 nan 0.000 0.447 1105 K N -1.350 119.142 120.400 0.153 0.000 2.063 1105 K HA -0.276 4.044 4.320 0.000 0.000 0.208 1105 K C 2.020 178.725 176.600 0.174 0.000 1.048 1105 K CA 2.213 58.582 56.287 0.137 0.000 0.928 1105 K CB -0.309 32.263 32.500 0.120 0.000 0.713 1105 K HN 0.609 nan 8.250 nan 0.000 0.442 1106 W N 1.482 122.811 121.300 0.047 0.000 2.358 1106 W HA -0.186 4.475 4.660 0.000 0.000 0.303 1106 W C 1.433 178.001 176.519 0.080 0.000 1.208 1106 W CA 1.310 58.685 57.345 0.049 0.000 1.274 1106 W CB -0.290 29.191 29.460 0.035 0.000 1.138 1106 W HN 0.005 nan 8.180 nan 0.000 0.515 1107 L N 0.286 121.617 121.223 0.180 0.000 2.012 1107 L HA -0.280 4.061 4.340 0.000 0.000 0.210 1107 L C 2.501 179.394 176.870 0.039 0.000 1.073 1107 L CA 1.808 56.639 54.840 -0.015 0.000 0.748 1107 L CB -0.926 41.218 42.059 0.142 0.000 0.891 1107 L HN 0.032 nan 8.230 nan 0.000 0.431 1108 I N -0.542 120.094 120.570 0.110 0.000 2.179 1108 I HA -0.319 3.851 4.170 0.000 0.000 0.242 1108 I C 2.368 178.448 176.117 -0.063 0.000 1.088 1108 I CA 1.405 62.761 61.300 0.094 0.000 1.357 1108 I CB -0.258 37.789 38.000 0.079 0.000 1.051 1108 I HN 0.219 nan 8.210 nan 0.000 0.409 1109 L N -0.148 121.018 121.223 -0.095 0.000 2.109 1109 L HA -0.115 4.225 4.340 0.000 0.000 0.207 1109 L C 2.367 179.103 176.870 -0.224 0.000 1.086 1109 L CA 1.123 55.888 54.840 -0.124 0.000 0.760 1109 L CB -0.488 41.532 42.059 -0.064 0.000 0.910 1109 L HN 0.292 nan 8.230 nan 0.000 0.437 1110 E N -0.475 119.469 120.200 -0.426 0.000 2.290 1110 E HA 0.020 4.370 4.350 0.000 0.000 0.197 1110 E C 1.467 177.823 176.600 -0.406 0.000 0.948 1110 E CA 0.467 56.576 56.400 -0.486 0.000 0.895 1110 E CB 0.355 29.581 29.700 -0.789 0.000 0.865 1110 E HN 0.207 nan 8.360 nan 0.000 0.486 1111 K N 0.639 120.794 120.400 -0.408 0.000 2.374 1111 K HA 0.183 4.503 4.320 0.000 0.000 0.202 1111 K C 0.347 176.834 176.600 -0.188 0.000 1.040 1111 K CA -0.042 56.104 56.287 -0.236 0.000 1.085 1111 K CB 1.124 33.501 32.500 -0.205 0.000 0.873 1111 K HN 0.071 nan 8.250 nan 0.000 0.539 1112 Q N 1.706 121.297 119.800 -0.347 0.000 2.278 1112 Q HA 0.172 4.512 4.340 0.000 0.000 0.257 1112 Q C -0.675 175.074 176.000 -0.419 0.000 0.928 1112 Q CA -0.276 55.128 55.803 -0.665 0.000 0.932 1112 Q CB 0.960 29.199 28.738 -0.831 0.000 1.221 1112 Q HN -0.069 nan 8.270 nan 0.000 0.434 1113 K N 4.082 124.236 120.400 -0.410 0.000 2.168 1113 K HA 0.112 4.432 4.320 0.000 0.000 0.258 1113 K C -1.849 174.602 176.600 -0.248 0.000 1.010 1113 K CA -1.567 54.553 56.287 -0.280 0.000 0.929 1113 K CB 0.429 32.771 32.500 -0.264 0.000 0.998 1113 K HN 0.449 nan 8.250 nan 0.000 0.479 1114 P HA -0.221 nan 4.420 nan 0.000 0.216 1114 P C 0.548 177.782 177.300 -0.109 0.000 1.153 1114 P CA 1.491 64.518 63.100 -0.122 0.000 0.858 1114 P CB 0.071 31.720 31.700 -0.084 0.000 0.789 1115 D N -2.027 118.305 120.400 -0.113 0.000 2.363 1115 D HA 0.007 4.647 4.640 0.000 0.000 0.226 1115 D C 1.468 177.716 176.300 -0.088 0.000 1.020 1115 D CA 1.101 55.067 54.000 -0.057 0.000 0.892 1115 D CB -0.752 40.049 40.800 0.002 0.000 0.900 1115 D HN 0.292 nan 8.370 nan 0.000 0.531 1116 G N -0.637 108.029 108.800 -0.223 0.000 2.238 1116 G HA2 -0.252 3.708 3.960 0.000 0.000 0.217 1116 G HA3 -0.252 3.708 3.960 0.000 0.000 0.217 1116 G C 0.239 174.869 174.900 -0.451 0.000 0.996 1116 G CA -0.031 44.917 45.100 -0.254 0.000 0.632 1116 G HN 0.369 nan 8.290 nan 0.000 0.503 1117 V N 1.928 121.471 119.914 -0.618 0.000 2.720 1117 V HA 0.324 4.444 4.120 0.000 0.000 0.307 1117 V C 0.626 176.399 176.094 -0.535 0.000 1.071 1117 V CA 0.613 62.515 62.300 -0.662 0.000 1.199 1117 V CB 0.248 31.611 31.823 -0.766 0.000 0.900 1117 V HN 0.230 nan 8.190 nan 0.000 0.494 1118 F N 3.637 123.490 119.950 -0.161 0.000 2.408 1118 F HA 0.485 5.012 4.527 0.000 0.000 0.344 1118 F C 0.586 176.350 175.800 -0.060 0.000 1.112 1118 F CA -0.204 57.746 58.000 -0.085 0.000 1.096 1118 F CB 1.156 40.147 39.000 -0.014 0.000 1.129 1118 F HN 0.447 nan 8.300 nan 0.000 0.486 1119 Q N 1.405 121.270 119.800 0.109 0.000 2.342 1119 Q HA 0.348 4.688 4.340 0.000 0.000 0.267 1119 Q C -1.084 174.985 176.000 0.114 0.000 1.038 1119 Q CA -1.200 54.644 55.803 0.067 0.000 0.832 1119 Q CB 2.521 31.256 28.738 -0.005 0.000 1.323 1119 Q HN 0.409 nan 8.270 nan 0.000 0.448 1120 E N 1.585 121.852 120.200 0.112 0.000 2.115 1120 E HA 0.084 4.434 4.350 0.000 0.000 0.282 1120 E C -0.626 176.031 176.600 0.096 0.000 0.987 1120 E CA 0.021 56.499 56.400 0.131 0.000 0.797 1120 E CB 0.592 30.364 29.700 0.120 0.000 1.086 1120 E HN 0.437 nan 8.360 nan 0.000 0.397 1121 D N 3.219 123.688 120.400 0.114 0.000 2.367 1121 D HA 0.154 4.794 4.640 0.000 0.000 0.207 1121 D C -0.313 176.047 176.300 0.100 0.000 1.034 1121 D CA 0.276 54.332 54.000 0.093 0.000 0.861 1121 D CB 0.688 41.544 40.800 0.093 0.000 0.943 1121 D HN 0.347 nan 8.370 nan 0.000 0.515 1122 A N 1.758 124.651 122.820 0.123 0.000 3.127 1122 A HA 0.447 4.767 4.320 0.000 0.000 0.319 1122 A C -2.721 174.922 177.584 0.098 0.000 1.104 1122 A CA -1.092 51.010 52.037 0.109 0.000 0.802 1122 A CB 0.696 19.772 19.000 0.127 0.000 1.193 1122 A HN -0.213 nan 8.150 nan 0.000 0.479 1123 P HA 0.134 nan 4.420 nan 0.000 0.264 1123 P C 0.738 178.047 177.300 0.015 0.000 1.179 1123 P CA 0.278 63.390 63.100 0.021 0.000 0.763 1123 P CB 0.544 32.231 31.700 -0.021 0.000 0.806 1124 V N 1.911 121.820 119.914 -0.008 0.000 2.901 1124 V HA -0.028 4.093 4.120 0.000 0.000 0.307 1124 V C 1.566 177.628 176.094 -0.053 0.000 1.084 1124 V CA 0.195 62.485 62.300 -0.016 0.000 1.184 1124 V CB -0.495 31.306 31.823 -0.035 0.000 0.941 1124 V HN 0.445 nan 8.190 nan 0.000 0.493 1125 I N 1.741 122.291 120.570 -0.033 0.000 2.163 1125 I HA -0.139 4.031 4.170 0.000 0.000 0.243 1125 I C 1.541 177.540 176.117 -0.197 0.000 1.085 1125 I CA 1.370 62.611 61.300 -0.099 0.000 1.347 1125 I CB -0.518 37.422 38.000 -0.099 0.000 1.044 1125 I HN 0.732 nan 8.210 nan 0.000 0.408 1126 H N 3.125 122.130 119.070 -0.108 0.000 3.045 1126 H HA 0.080 4.636 4.556 0.000 0.000 0.254 1126 H C 0.844 176.029 175.328 -0.238 0.000 1.747 1126 H CA -0.039 55.923 56.048 -0.143 0.000 1.444 1126 H CB 0.360 30.035 29.762 -0.144 0.000 1.778 1126 H HN 0.398 nan 8.280 nan 0.000 0.544 1127 Q N 1.218 120.923 119.800 -0.158 0.000 2.364 1127 Q HA -0.124 4.217 4.340 0.000 0.000 0.207 1127 Q C 1.918 177.777 176.000 -0.236 0.000 0.970 1127 Q CA 0.682 56.350 55.803 -0.225 0.000 0.888 1127 Q CB 0.242 28.884 28.738 -0.161 0.000 0.951 1127 Q HN 0.728 nan 8.270 nan 0.000 0.469 1128 E N 0.629 120.718 120.200 -0.184 0.000 2.418 1128 E HA -0.165 4.185 4.350 0.000 0.000 0.197 1128 E C 1.659 178.092 176.600 -0.278 0.000 1.026 1128 E CA 0.702 56.959 56.400 -0.238 0.000 0.862 1128 E CB -0.324 29.107 29.700 -0.449 0.000 0.799 1128 E HN 0.533 nan 8.360 nan 0.000 0.518 1129 M N 0.088 119.501 119.600 -0.313 0.000 2.556 1129 M HA 0.228 4.709 4.480 0.000 0.000 0.245 1129 M C 1.907 177.902 176.300 -0.509 0.000 1.128 1129 M CA 0.556 55.657 55.300 -0.331 0.000 1.069 1129 M CB -0.375 32.063 32.600 -0.271 0.000 1.469 1129 M HN 0.096 nan 8.290 nan 0.000 0.494 1130 I N -2.034 118.099 120.570 -0.727 0.000 3.875 1130 I HA 0.543 4.713 4.170 0.000 0.000 0.329 1130 I C 0.995 176.835 176.117 -0.462 0.000 1.295 1130 I CA 0.073 60.779 61.300 -0.990 0.000 1.129 1130 I CB -0.707 36.333 38.000 -1.601 0.000 1.008 1130 I HN 0.422 nan 8.210 nan 0.000 0.413 1131 G N 1.931 110.561 108.800 -0.284 0.000 2.582 1131 G HA2 -0.380 3.580 3.960 0.000 0.000 0.288 1131 G HA3 -0.380 3.580 3.960 0.000 0.000 0.288 1131 G C 0.873 175.347 174.900 -0.711 0.000 1.247 1131 G CA 0.268 45.264 45.100 -0.173 0.000 0.972 1131 G HN 0.610 nan 8.290 nan 0.000 0.557 1132 G N -1.008 107.177 108.800 -1.024 0.000 2.535 1132 G HA2 0.129 4.089 3.960 0.000 0.000 0.218 1132 G HA3 0.129 4.089 3.960 0.000 0.000 0.218 1132 G C 1.637 175.701 174.900 -1.393 0.000 1.122 1132 G CA 1.394 45.335 45.100 -1.932 0.000 0.769 1132 G HN 0.651 nan 8.290 nan 0.000 0.549 1133 L N 0.543 121.314 121.223 -0.754 0.000 2.362 1133 L HA 0.137 4.477 4.340 0.000 0.000 0.219 1133 L C 2.570 179.187 176.870 -0.421 0.000 1.134 1133 L CA 0.941 55.534 54.840 -0.412 0.000 0.807 1133 L CB -0.733 41.166 42.059 -0.268 0.000 0.927 1133 L HN 0.285 nan 8.230 nan 0.000 0.447 1134 R N -0.006 120.188 120.500 -0.509 0.000 2.127 1134 R HA -0.133 4.207 4.340 0.000 0.000 0.238 1134 R C 1.049 177.208 176.300 -0.234 0.000 1.134 1134 R CA 0.286 56.184 56.100 -0.338 0.000 0.975 1134 R CB -0.126 30.022 30.300 -0.253 0.000 0.865 1134 R HN 0.395 nan 8.270 nan 0.000 0.447 1135 N N 0.963 119.494 118.700 -0.281 0.000 2.232 1135 N HA -0.135 4.605 4.740 0.000 0.000 0.251 1135 N C -0.294 175.154 175.510 -0.104 0.000 1.242 1135 N CA 0.676 53.634 53.050 -0.154 0.000 0.837 1135 N CB 0.453 38.836 38.487 -0.174 0.000 1.079 1135 N HN 0.293 nan 8.380 nan 0.000 0.461 1136 N N 1.439 120.107 118.700 -0.054 0.000 2.416 1136 N HA 0.015 4.755 4.740 0.000 0.000 0.177 1136 N C -0.362 175.141 175.510 -0.010 0.000 1.036 1136 N CA 0.315 53.346 53.050 -0.032 0.000 0.901 1136 N CB 0.138 38.613 38.487 -0.020 0.000 0.976 1136 N HN 0.501 nan 8.380 nan 0.000 0.444 1137 N N 1.826 120.524 118.700 -0.004 0.000 2.514 1137 N HA 0.063 4.803 4.740 0.000 0.000 0.277 1137 N C -0.397 175.133 175.510 0.033 0.000 1.126 1137 N CA 0.260 53.319 53.050 0.016 0.000 0.978 1137 N CB 1.045 39.542 38.487 0.017 0.000 1.106 1137 N HN 0.165 nan 8.380 nan 0.000 0.461 1138 E N -0.260 119.969 120.200 0.049 0.000 2.759 1138 E HA -0.230 4.120 4.350 0.000 0.000 0.280 1138 E C 0.885 177.546 176.600 0.102 0.000 1.009 1138 E CA 0.389 56.834 56.400 0.076 0.000 0.849 1138 E CB -0.738 29.004 29.700 0.070 0.000 1.415 1138 E HN 0.701 nan 8.360 nan 0.000 0.412 1139 K N 0.099 120.548 120.400 0.082 0.000 2.057 1139 K HA -0.177 4.143 4.320 0.000 0.000 0.207 1139 K C 1.057 177.728 176.600 0.119 0.000 1.049 1139 K CA 1.624 57.957 56.287 0.077 0.000 0.931 1139 K CB 0.051 32.574 32.500 0.038 0.000 0.714 1139 K HN 0.049 nan 8.250 nan 0.000 0.440 1140 D N 0.771 121.253 120.400 0.137 0.000 2.178 1140 D HA -0.065 4.575 4.640 0.000 0.000 0.202 1140 D C 2.088 178.555 176.300 0.278 0.000 0.974 1140 D CA 0.984 55.071 54.000 0.144 0.000 0.841 1140 D CB 0.005 40.869 40.800 0.107 0.000 0.953 1140 D HN 0.207 nan 8.370 nan 0.000 0.478 1141 M N 0.498 120.303 119.600 0.341 0.000 2.156 1141 M HA -0.002 4.478 4.480 0.000 0.000 0.264 1141 M C 2.316 178.758 176.300 0.237 0.000 1.067 1141 M CA 0.631 56.138 55.300 0.345 0.000 1.131 1141 M CB -0.801 31.922 32.600 0.206 0.000 1.368 1141 M HN -0.064 nan 8.290 nan 0.000 0.416 1142 A N 0.003 122.943 122.820 0.200 0.000 1.898 1142 A HA -0.131 4.189 4.320 0.000 0.000 0.216 1142 A C 2.158 179.883 177.584 0.235 0.000 1.181 1142 A CA 1.238 53.399 52.037 0.206 0.000 0.620 1142 A CB -0.754 18.395 19.000 0.249 0.000 0.819 1142 A HN 0.410 nan 8.150 nan 0.000 0.442 1143 L N -0.494 120.863 121.223 0.224 0.000 2.095 1143 L HA -0.024 4.316 4.340 0.000 0.000 0.204 1143 L C 2.395 179.436 176.870 0.285 0.000 1.080 1143 L CA 2.656 57.652 54.840 0.260 0.000 0.759 1143 L CB -1.012 41.171 42.059 0.207 0.000 0.914 1143 L HN 0.337 nan 8.230 nan 0.000 0.439 1144 T N 0.150 114.868 114.554 0.274 0.000 2.720 1144 T HA -0.200 4.151 4.350 0.000 0.000 0.268 1144 T C 1.908 176.751 174.700 0.238 0.000 1.037 1144 T CA 1.480 63.778 62.100 0.330 0.000 1.144 1144 T CB -0.584 68.470 68.868 0.309 0.000 0.864 1144 T HN 0.518 nan 8.240 nan 0.000 0.444 1145 A N 1.010 123.945 122.820 0.192 0.000 1.877 1145 A HA -0.007 4.313 4.320 0.000 0.000 0.216 1145 A C 2.020 179.625 177.584 0.036 0.000 1.186 1145 A CA 1.347 53.434 52.037 0.082 0.000 0.620 1145 A CB -1.037 17.991 19.000 0.047 0.000 0.822 1145 A HN 0.474 nan 8.150 nan 0.000 0.443 1146 F N 0.845 120.779 119.950 -0.027 0.000 2.091 1146 F HA -0.210 4.317 4.527 0.000 0.000 0.299 1146 F C 2.208 177.944 175.800 -0.107 0.000 1.103 1146 F CA 2.247 60.233 58.000 -0.023 0.000 1.228 1146 F CB -0.233 38.819 39.000 0.087 0.000 0.984 1146 F HN 0.041 nan 8.300 nan 0.000 0.477 1147 V N 0.138 120.001 119.914 -0.084 0.000 2.379 1147 V HA -0.240 3.880 4.120 0.000 0.000 0.245 1147 V C 2.292 178.108 176.094 -0.463 0.000 1.044 1147 V CA 1.438 63.481 62.300 -0.428 0.000 1.036 1147 V CB -0.839 30.470 31.823 -0.857 0.000 0.664 1147 V HN 0.416 nan 8.190 nan 0.000 0.453 1148 L N 0.424 121.484 121.223 -0.272 0.000 2.021 1148 L HA -0.211 4.130 4.340 0.000 0.000 0.215 1148 L C 2.199 178.945 176.870 -0.206 0.000 1.074 1148 L CA 2.039 56.789 54.840 -0.149 0.000 0.760 1148 L CB -0.701 41.343 42.059 -0.023 0.000 0.889 1148 L HN 0.243 nan 8.230 nan 0.000 0.433 1149 I N -1.151 119.273 120.570 -0.243 0.000 2.208 1149 I HA -0.337 3.833 4.170 0.000 0.000 0.245 1149 I C 2.440 178.407 176.117 -0.249 0.000 1.097 1149 I CA 1.523 62.674 61.300 -0.248 0.000 1.363 1149 I CB -0.483 37.422 38.000 -0.160 0.000 1.051 1149 I HN 0.219 nan 8.210 nan 0.000 0.413 1150 S N 0.631 116.112 115.700 -0.365 0.000 2.368 1150 S HA -0.104 4.366 4.470 0.000 0.000 0.225 1150 S C 1.973 176.444 174.600 -0.214 0.000 1.030 1150 S CA 1.229 59.228 58.200 -0.334 0.000 0.999 1150 S CB -0.340 62.592 63.200 -0.447 0.000 0.844 1150 S HN 0.337 nan 8.310 nan 0.000 0.459 1151 L N 1.168 122.266 121.223 -0.208 0.000 2.046 1151 L HA -0.191 4.149 4.340 0.000 0.000 0.208 1151 L C 2.647 179.461 176.870 -0.093 0.000 1.077 1151 L CA 1.358 56.124 54.840 -0.124 0.000 0.747 1151 L CB -0.806 41.199 42.059 -0.090 0.000 0.896 1151 L HN 0.370 nan 8.230 nan 0.000 0.432 1152 Q N 0.147 119.877 119.800 -0.117 0.000 2.124 1152 Q HA -0.203 4.137 4.340 0.000 0.000 0.202 1152 Q C 1.988 177.943 176.000 -0.075 0.000 0.977 1152 Q CA 1.429 57.170 55.803 -0.103 0.000 0.850 1152 Q CB -0.084 28.559 28.738 -0.158 0.000 0.901 1152 Q HN 0.553 nan 8.270 nan 0.000 0.429 1153 E N 0.119 120.274 120.200 -0.075 0.000 2.358 1153 E HA -0.050 4.301 4.350 0.000 0.000 0.195 1153 E C 1.413 178.001 176.600 -0.021 0.000 1.010 1153 E CA 0.640 57.023 56.400 -0.028 0.000 0.856 1153 E CB 0.110 29.807 29.700 -0.006 0.000 0.795 1153 E HN 0.307 nan 8.360 nan 0.000 0.504 1154 A N 0.991 123.788 122.820 -0.038 0.000 2.238 1154 A HA 0.006 4.327 4.320 0.000 0.000 0.210 1154 A C 1.842 179.424 177.584 -0.004 0.000 1.179 1154 A CA 0.139 52.167 52.037 -0.016 0.000 0.827 1154 A CB -0.043 18.943 19.000 -0.022 0.000 0.856 1154 A HN -0.000 nan 8.150 nan 0.000 0.488 1155 K N 0.474 120.867 120.400 -0.013 0.000 2.032 1155 K HA -0.216 4.104 4.320 0.000 0.000 0.209 1155 K C 0.966 177.567 176.600 0.002 0.000 1.048 1155 K CA 1.958 58.240 56.287 -0.008 0.000 0.927 1155 K CB -0.130 32.360 32.500 -0.018 0.000 0.712 1155 K HN 0.332 nan 8.250 nan 0.000 0.441 1156 D N 0.272 120.675 120.400 0.005 0.000 2.218 1156 D HA -0.115 4.525 4.640 0.000 0.000 0.204 1156 D C 1.757 178.065 176.300 0.012 0.000 0.976 1156 D CA 1.004 55.009 54.000 0.009 0.000 0.853 1156 D CB 0.017 40.825 40.800 0.012 0.000 0.939 1156 D HN 0.351 nan 8.370 nan 0.000 0.481 1157 I N -0.573 120.006 120.570 0.016 0.000 2.703 1157 I HA -0.111 4.059 4.170 0.000 0.000 0.259 1157 I C 1.679 177.811 176.117 0.024 0.000 1.151 1157 I CA 0.516 61.828 61.300 0.021 0.000 1.470 1157 I CB 0.298 38.315 38.000 0.028 0.000 1.112 1157 I HN -0.006 nan 8.210 nan 0.000 0.437 1158 c N -0.175 118.438 118.600 0.023 0.000 3.228 1158 c HA 0.132 4.703 4.570 0.000 0.000 0.290 1158 c C 2.349 176.453 174.090 0.023 0.000 1.301 1158 c CA -0.419 55.927 56.329 0.028 0.000 1.703 1158 c CB -0.423 42.107 42.510 0.032 0.000 2.141 1158 c HN 0.416 nan 8.230 nan 0.000 0.656 1159 E N 1.393 121.603 120.200 0.016 0.000 2.070 1159 E HA -0.210 4.140 4.350 0.000 0.000 0.197 1159 E C 1.611 178.220 176.600 0.014 0.000 1.004 1159 E CA 1.184 57.591 56.400 0.013 0.000 0.805 1159 E CB 0.059 29.763 29.700 0.008 0.000 0.744 1159 E HN 0.557 nan 8.360 nan 0.000 0.451 1160 E N -0.222 119.987 120.200 0.015 0.000 2.481 1160 E HA -0.117 4.233 4.350 0.000 0.000 0.195 1160 E C 1.450 178.061 176.600 0.018 0.000 1.047 1160 E CA 0.623 57.032 56.400 0.014 0.000 0.867 1160 E CB 0.241 29.948 29.700 0.012 0.000 0.858 1160 E HN 0.555 nan 8.360 nan 0.000 0.513 1161 Q N -0.886 118.928 119.800 0.023 0.000 2.211 1161 Q HA 0.181 4.521 4.340 0.000 0.000 0.242 1161 Q C 0.200 176.219 176.000 0.031 0.000 0.825 1161 Q CA 0.078 55.898 55.803 0.027 0.000 0.951 1161 Q CB 0.907 29.664 28.738 0.032 0.000 1.130 1161 Q HN -0.104 nan 8.270 nan 0.000 0.496 1162 V N 2.356 122.288 119.914 0.030 0.000 2.305 1162 V HA 0.206 4.326 4.120 0.000 0.000 0.275 1162 V C 0.122 176.231 176.094 0.025 0.000 1.020 1162 V CA -0.566 61.753 62.300 0.033 0.000 0.811 1162 V CB 0.816 32.664 31.823 0.042 0.000 1.031 1162 V HN 0.296 nan 8.190 nan 0.000 0.439 1163 N N 2.123 120.836 118.700 0.021 0.000 2.309 1163 N HA -0.141 4.599 4.740 0.000 0.000 0.182 1163 N C 1.878 177.395 175.510 0.013 0.000 1.018 1163 N CA 1.194 54.252 53.050 0.015 0.000 0.876 1163 N CB 0.147 38.641 38.487 0.012 0.000 0.972 1163 N HN 0.738 nan 8.380 nan 0.000 0.434 1164 S N 0.406 116.116 115.700 0.016 0.000 2.561 1164 S HA 0.006 4.476 4.470 0.000 0.000 0.225 1164 S C 1.744 176.355 174.600 0.019 0.000 0.977 1164 S CA 0.073 58.281 58.200 0.013 0.000 0.926 1164 S CB -0.104 63.104 63.200 0.013 0.000 0.769 1164 S HN 0.155 nan 8.310 nan 0.000 0.533 1165 L N 3.009 124.245 121.223 0.022 0.000 1.994 1165 L HA 0.134 4.475 4.340 0.000 0.000 0.208 1165 L C -1.096 175.785 176.870 0.019 0.000 1.071 1165 L CA 1.724 56.579 54.840 0.026 0.000 0.745 1165 L CB -1.509 40.563 42.059 0.022 0.000 0.892 1165 L HN 0.121 nan 8.230 nan 0.000 0.431 1166 P HA -0.092 nan 4.420 nan 0.000 0.216 1166 P C 1.568 178.870 177.300 0.003 0.000 1.150 1166 P CA 1.764 64.865 63.100 0.002 0.000 0.837 1166 P CB -0.359 31.340 31.700 -0.002 0.000 0.786 1167 G N -0.960 107.842 108.800 0.003 0.000 2.421 1167 G HA2 -0.219 3.741 3.960 0.000 0.000 0.217 1167 G HA3 -0.219 3.741 3.960 0.000 0.000 0.217 1167 G C 1.832 176.733 174.900 0.002 0.000 1.143 1167 G CA 0.880 45.979 45.100 -0.002 0.000 0.784 1167 G HN 0.277 nan 8.290 nan 0.000 0.541 1168 S N 0.236 115.946 115.700 0.017 0.000 2.356 1168 S HA -0.067 4.403 4.470 0.000 0.000 0.223 1168 S C 2.414 177.056 174.600 0.071 0.000 1.032 1168 S CA 0.988 59.212 58.200 0.042 0.000 1.005 1168 S CB -0.304 62.951 63.200 0.091 0.000 0.867 1168 S HN 0.363 nan 8.310 nan 0.000 0.449 1169 I N 1.107 121.712 120.570 0.057 0.000 2.145 1169 I HA -0.241 3.929 4.170 0.000 0.000 0.244 1169 I C 2.565 178.697 176.117 0.025 0.000 1.075 1169 I CA 1.774 63.097 61.300 0.038 0.000 1.332 1169 I CB -0.977 37.025 38.000 0.002 0.000 1.033 1169 I HN 0.355 nan 8.210 nan 0.000 0.410 1170 T N 0.638 115.198 114.554 0.010 0.000 2.737 1170 T HA -0.136 4.214 4.350 0.000 0.000 0.265 1170 T C 1.932 176.639 174.700 0.012 0.000 1.038 1170 T CA 1.027 63.128 62.100 0.002 0.000 1.144 1170 T CB -0.097 68.768 68.868 -0.006 0.000 0.866 1170 T HN 0.247 nan 8.240 nan 0.000 0.434 1171 K N 1.316 121.722 120.400 0.009 0.000 2.057 1171 K HA 0.034 4.354 4.320 0.000 0.000 0.207 1171 K C 2.651 179.274 176.600 0.038 0.000 1.049 1171 K CA 1.258 57.546 56.287 0.003 0.000 0.931 1171 K CB -0.504 31.969 32.500 -0.046 0.000 0.714 1171 K HN 0.341 nan 8.250 nan 0.000 0.440 1172 A N 1.286 124.141 122.820 0.057 0.000 1.877 1172 A HA -0.084 4.236 4.320 0.000 0.000 0.216 1172 A C 2.508 180.175 177.584 0.139 0.000 1.186 1172 A CA 2.022 54.139 52.037 0.133 0.000 0.620 1172 A CB -1.188 17.956 19.000 0.240 0.000 0.822 1172 A HN 0.397 nan 8.150 nan 0.000 0.443 1173 G N -0.179 108.663 108.800 0.070 0.000 2.442 1173 G HA2 -0.286 3.674 3.960 0.000 0.000 0.219 1173 G HA3 -0.286 3.674 3.960 0.000 0.000 0.219 1173 G C 1.147 176.065 174.900 0.031 0.000 1.141 1173 G CA 1.320 46.434 45.100 0.023 0.000 0.763 1173 G HN 0.456 nan 8.290 nan 0.000 0.554 1174 D N -0.198 120.231 120.400 0.048 0.000 2.117 1174 D HA -0.102 4.538 4.640 0.000 0.000 0.197 1174 D C 1.945 178.287 176.300 0.069 0.000 0.987 1174 D CA 0.564 54.590 54.000 0.042 0.000 0.829 1174 D CB -0.353 40.474 40.800 0.046 0.000 0.961 1174 D HN 0.326 nan 8.370 nan 0.000 0.460 1175 F N 1.173 121.120 119.950 -0.005 0.000 2.146 1175 F HA -0.065 4.462 4.527 0.000 0.000 0.298 1175 F C 2.085 177.905 175.800 0.034 0.000 1.096 1175 F CA 0.978 58.983 58.000 0.008 0.000 1.275 1175 F CB -0.228 38.772 39.000 0.001 0.000 1.008 1175 F HN -0.123 nan 8.300 nan 0.000 0.480 1176 L N 0.093 121.351 121.223 0.058 0.000 1.994 1176 L HA -0.228 4.113 4.340 0.000 0.000 0.208 1176 L C 2.519 179.369 176.870 -0.034 0.000 1.071 1176 L CA 2.050 56.899 54.840 0.015 0.000 0.745 1176 L CB -1.017 41.096 42.059 0.089 0.000 0.892 1176 L HN 0.206 nan 8.230 nan 0.000 0.431 1177 E N 0.339 120.507 120.200 -0.052 0.000 2.118 1177 E HA -0.253 4.097 4.350 0.000 0.000 0.195 1177 E C 2.079 178.646 176.600 -0.055 0.000 0.992 1177 E CA 1.272 57.633 56.400 -0.066 0.000 0.804 1177 E CB 0.004 29.660 29.700 -0.074 0.000 0.741 1177 E HN 0.476 nan 8.360 nan 0.000 0.458 1178 A N 0.259 123.013 122.820 -0.110 0.000 2.168 1178 A HA -0.049 4.271 4.320 0.000 0.000 0.215 1178 A C 1.503 178.997 177.584 -0.150 0.000 1.152 1178 A CA 0.857 52.822 52.037 -0.120 0.000 0.716 1178 A CB 0.050 18.977 19.000 -0.123 0.000 0.794 1178 A HN 0.233 nan 8.150 nan 0.000 0.465 1179 N N -2.805 115.778 118.700 -0.195 0.000 2.143 1179 N HA 0.057 4.797 4.740 0.000 0.000 0.222 1179 N C 0.855 176.312 175.510 -0.088 0.000 1.264 1179 N CA -0.030 52.895 53.050 -0.209 0.000 0.897 1179 N CB 0.147 38.356 38.487 -0.465 0.000 1.092 1179 N HN 0.507 nan 8.380 nan 0.000 0.516 1180 Y N 2.161 122.380 120.300 -0.135 0.000 2.181 1180 Y HA -0.069 4.481 4.550 0.000 0.000 0.288 1180 Y C 2.285 178.165 175.900 -0.034 0.000 1.146 1180 Y CA 1.595 59.653 58.100 -0.071 0.000 1.164 1180 Y CB 0.102 38.527 38.460 -0.058 0.000 0.982 1180 Y HN -0.093 nan 8.280 nan 0.000 0.515 1181 M N -0.079 119.578 119.600 0.094 0.000 2.279 1181 M HA -0.223 4.257 4.480 0.000 0.000 0.264 1181 M C 1.125 177.399 176.300 -0.044 0.000 1.062 1181 M CA 1.512 56.833 55.300 0.035 0.000 1.099 1181 M CB -1.437 31.196 32.600 0.056 0.000 1.394 1181 M HN 0.425 nan 8.290 nan 0.000 0.426 1182 N N -0.079 118.583 118.700 -0.064 0.000 2.398 1182 N HA 0.151 4.891 4.740 0.000 0.000 0.188 1182 N C -0.015 175.445 175.510 -0.084 0.000 1.122 1182 N CA -0.268 52.744 53.050 -0.064 0.000 0.866 1182 N CB 0.234 38.691 38.487 -0.050 0.000 0.970 1182 N HN 0.272 nan 8.380 nan 0.000 0.462 1183 L N 1.417 122.553 121.223 -0.145 0.000 2.485 1183 L HA -0.011 4.329 4.340 0.000 0.000 0.275 1183 L C 1.295 178.110 176.870 -0.092 0.000 1.207 1183 L CA 0.213 54.967 54.840 -0.143 0.000 0.855 1183 L CB 0.686 42.578 42.059 -0.279 0.000 1.114 1183 L HN 0.269 nan 8.230 nan 0.000 0.485 1184 Q N 2.272 122.044 119.800 -0.046 0.000 2.353 1184 Q HA 0.185 4.525 4.340 0.000 0.000 0.240 1184 Q C 0.155 176.157 176.000 0.003 0.000 0.868 1184 Q CA 0.190 55.980 55.803 -0.022 0.000 0.944 1184 Q CB 0.743 29.477 28.738 -0.007 0.000 1.104 1184 Q HN 0.569 nan 8.270 nan 0.000 0.531 1185 R N 1.168 121.682 120.500 0.023 0.000 2.254 1185 R HA 0.307 4.647 4.340 0.000 0.000 0.318 1185 R C 0.872 177.237 176.300 0.108 0.000 1.031 1185 R CA -0.086 56.060 56.100 0.077 0.000 0.905 1185 R CB 1.096 31.463 30.300 0.110 0.000 1.050 1185 R HN 0.001 nan 8.270 nan 0.000 0.456 1186 S N 2.032 117.815 115.700 0.138 0.000 2.374 1186 S HA -0.243 4.227 4.470 0.000 0.000 0.227 1186 S C 1.532 176.289 174.600 0.260 0.000 1.037 1186 S CA 1.454 59.785 58.200 0.218 0.000 1.024 1186 S CB -0.327 62.990 63.200 0.195 0.000 0.861 1186 S HN 0.655 nan 8.310 nan 0.000 0.456 1187 Y N 2.629 123.010 120.300 0.136 0.000 2.081 1187 Y HA -0.272 4.279 4.550 0.000 0.000 0.280 1187 Y C 2.622 178.563 175.900 0.068 0.000 1.163 1187 Y CA 2.175 60.342 58.100 0.111 0.000 1.135 1187 Y CB -1.033 37.470 38.460 0.072 0.000 0.970 1187 Y HN 0.276 nan 8.280 nan 0.000 0.498 1188 T N -0.612 114.011 114.554 0.115 0.000 2.777 1188 T HA -0.172 4.178 4.350 0.000 0.000 0.266 1188 T C 2.095 176.767 174.700 -0.047 0.000 1.040 1188 T CA 1.466 63.574 62.100 0.014 0.000 1.141 1188 T CB -1.017 67.896 68.868 0.075 0.000 0.868 1188 T HN 0.216 nan 8.240 nan 0.000 0.444 1189 V N 2.150 122.050 119.914 -0.024 0.000 2.250 1189 V HA -0.274 3.846 4.120 0.000 0.000 0.250 1189 V C 3.002 179.216 176.094 0.199 0.000 1.060 1189 V CA 2.019 64.336 62.300 0.029 0.000 1.030 1189 V CB -1.403 30.488 31.823 0.113 0.000 0.643 1189 V HN 0.600 nan 8.190 nan 0.000 0.445 1190 A N -0.542 122.291 122.820 0.022 0.000 1.858 1190 A HA -0.220 4.100 4.320 0.000 0.000 0.216 1190 A C 2.273 179.796 177.584 -0.102 0.000 1.190 1190 A CA 2.255 54.224 52.037 -0.113 0.000 0.617 1190 A CB -0.594 18.226 19.000 -0.301 0.000 0.827 1190 A HN 0.508 nan 8.150 nan 0.000 0.443 1191 I N -0.744 119.625 120.570 -0.336 0.000 2.252 1191 I HA -0.190 3.980 4.170 0.000 0.000 0.245 1191 I C 2.620 178.596 176.117 -0.236 0.000 1.102 1191 I CA 1.316 62.274 61.300 -0.571 0.000 1.385 1191 I CB -0.136 37.309 38.000 -0.924 0.000 1.064 1191 I HN 0.325 nan 8.210 nan 0.000 0.414 1192 A N 0.275 123.060 122.820 -0.058 0.000 2.014 1192 A HA -0.035 4.285 4.320 0.000 0.000 0.218 1192 A C 2.270 179.895 177.584 0.068 0.000 1.163 1192 A CA 1.309 53.394 52.037 0.080 0.000 0.652 1192 A CB -1.250 17.904 19.000 0.256 0.000 0.808 1192 A HN 0.528 nan 8.150 nan 0.000 0.449 1193 G N -1.445 107.425 108.800 0.116 0.000 2.408 1193 G HA2 -0.243 3.717 3.960 0.000 0.000 0.217 1193 G HA3 -0.243 3.717 3.960 0.000 0.000 0.217 1193 G C 1.526 176.243 174.900 -0.306 0.000 1.150 1193 G CA 1.258 46.256 45.100 -0.171 0.000 0.776 1193 G HN 0.552 nan 8.290 nan 0.000 0.542 1194 Y N 2.090 122.217 120.300 -0.288 0.000 2.220 1194 Y HA 0.162 4.712 4.550 0.000 0.000 0.291 1194 Y C 2.844 178.639 175.900 -0.176 0.000 1.129 1194 Y CA 0.779 58.749 58.100 -0.215 0.000 1.161 1194 Y CB -0.713 37.715 38.460 -0.053 0.000 0.997 1194 Y HN 0.245 nan 8.280 nan 0.000 0.522 1195 A N 0.803 123.461 122.820 -0.271 0.000 1.873 1195 A HA -0.232 4.088 4.320 0.000 0.000 0.218 1195 A C 2.411 179.827 177.584 -0.281 0.000 1.193 1195 A CA 2.255 54.102 52.037 -0.317 0.000 0.629 1195 A CB -1.334 17.563 19.000 -0.172 0.000 0.826 1195 A HN 0.548 nan 8.150 nan 0.000 0.447 1196 L N -1.084 119.988 121.223 -0.251 0.000 2.083 1196 L HA -0.199 4.141 4.340 0.000 0.000 0.209 1196 L C 3.083 179.792 176.870 -0.268 0.000 1.083 1196 L CA 1.068 55.748 54.840 -0.265 0.000 0.752 1196 L CB -0.488 41.352 42.059 -0.366 0.000 0.899 1196 L HN 0.475 nan 8.230 nan 0.000 0.433 1197 A N -0.893 121.748 122.820 -0.298 0.000 1.930 1197 A HA -0.210 4.110 4.320 0.000 0.000 0.217 1197 A C 2.186 179.651 177.584 -0.198 0.000 1.175 1197 A CA 1.128 53.014 52.037 -0.252 0.000 0.627 1197 A CB -0.377 18.461 19.000 -0.269 0.000 0.815 1197 A HN 0.442 nan 8.150 nan 0.000 0.443 1198 Q N -1.058 118.590 119.800 -0.254 0.000 2.181 1198 Q HA -0.083 4.257 4.340 0.000 0.000 0.205 1198 Q C 1.537 177.439 176.000 -0.163 0.000 0.980 1198 Q CA 1.415 57.081 55.803 -0.227 0.000 0.862 1198 Q CB -0.202 28.315 28.738 -0.368 0.000 0.905 1198 Q HN 0.709 nan 8.270 nan 0.000 0.429 1199 M N -1.006 118.496 119.600 -0.164 0.000 2.494 1199 M HA 0.133 4.613 4.480 0.000 0.000 0.232 1199 M C 0.730 176.965 176.300 -0.109 0.000 1.137 1199 M CA 0.274 55.502 55.300 -0.121 0.000 1.012 1199 M CB 0.601 33.131 32.600 -0.117 0.000 1.567 1199 M HN 0.274 nan 8.290 nan 0.000 0.486 1200 G N 1.766 110.494 108.800 -0.120 0.000 2.321 1200 G HA2 -0.302 3.658 3.960 0.000 0.000 0.287 1200 G HA3 -0.302 3.658 3.960 0.000 0.000 0.287 1200 G C 0.740 175.568 174.900 -0.120 0.000 1.018 1200 G CA 0.449 45.483 45.100 -0.110 0.000 0.855 1200 G HN 0.548 nan 8.290 nan 0.000 0.507 1201 R N -1.488 118.921 120.500 -0.152 0.000 2.362 1201 R HA 0.284 4.624 4.340 0.000 0.000 0.227 1201 R C 0.692 176.864 176.300 -0.214 0.000 0.905 1201 R CA -0.404 55.601 56.100 -0.158 0.000 1.067 1201 R CB 0.451 30.666 30.300 -0.141 0.000 1.078 1201 R HN 0.317 nan 8.270 nan 0.000 0.516 1202 L N 2.939 124.012 121.223 -0.251 0.000 2.334 1202 L HA 0.180 4.520 4.340 0.000 0.000 0.286 1202 L C -0.271 176.481 176.870 -0.198 0.000 1.108 1202 L CA 0.486 55.140 54.840 -0.309 0.000 0.875 1202 L CB -0.156 41.653 42.059 -0.416 0.000 1.246 1202 L HN 0.032 nan 8.230 nan 0.000 0.439 1203 K N 2.465 122.776 120.400 -0.150 0.000 2.614 1203 K HA 0.769 5.089 4.320 0.000 0.000 0.293 1203 K C 0.222 176.789 176.600 -0.055 0.000 1.045 1203 K CA -0.552 55.684 56.287 -0.086 0.000 0.880 1203 K CB 0.217 32.673 32.500 -0.073 0.000 1.552 1203 K HN 0.521 nan 8.250 nan 0.000 0.404 1204 G N 0.783 109.567 108.800 -0.027 0.000 2.594 1204 G HA2 -0.282 3.679 3.960 0.000 0.000 0.297 1204 G HA3 -0.282 3.679 3.960 0.000 0.000 0.297 1204 G C -1.402 173.504 174.900 0.010 0.000 1.273 1204 G CA 0.417 45.512 45.100 -0.009 0.000 0.974 1204 G HN 0.552 nan 8.290 nan 0.000 0.552 1205 P HA 0.014 nan 4.420 nan 0.000 0.222 1205 P C 2.132 179.481 177.300 0.083 0.000 1.147 1205 P CA 1.648 64.775 63.100 0.045 0.000 0.790 1205 P CB -0.141 31.582 31.700 0.038 0.000 0.780 1206 L N -1.487 119.768 121.223 0.053 0.000 2.095 1206 L HA -0.077 4.263 4.340 0.000 0.000 0.204 1206 L C 2.554 179.490 176.870 0.111 0.000 1.080 1206 L CA 0.785 55.676 54.840 0.085 0.000 0.759 1206 L CB -1.345 40.607 42.059 -0.179 0.000 0.914 1206 L HN -0.015 nan 8.230 nan 0.000 0.439 1207 L N 1.245 122.481 121.223 0.021 0.000 2.012 1207 L HA -0.235 4.105 4.340 0.000 0.000 0.210 1207 L C 2.205 179.175 176.870 0.167 0.000 1.073 1207 L CA 2.098 56.978 54.840 0.067 0.000 0.748 1207 L CB -0.972 41.085 42.059 -0.003 0.000 0.891 1207 L HN 0.282 nan 8.230 nan 0.000 0.431 1208 N N -0.301 118.466 118.700 0.113 0.000 2.094 1208 N HA -0.294 4.446 4.740 0.000 0.000 0.191 1208 N C 1.978 177.570 175.510 0.137 0.000 1.023 1208 N CA 1.924 55.037 53.050 0.105 0.000 0.857 1208 N CB -0.230 38.298 38.487 0.069 0.000 1.013 1208 N HN 0.428 nan 8.380 nan 0.000 0.426 1209 K N -0.795 119.716 120.400 0.185 0.000 2.020 1209 K HA -0.226 4.094 4.320 0.000 0.000 0.212 1209 K C 1.958 178.721 176.600 0.272 0.000 1.050 1209 K CA 1.714 58.126 56.287 0.207 0.000 0.929 1209 K CB -0.494 32.163 32.500 0.261 0.000 0.714 1209 K HN 0.272 nan 8.250 nan 0.000 0.443 1210 F N 1.439 121.539 119.950 0.250 0.000 2.091 1210 F HA -0.200 4.327 4.527 0.000 0.000 0.299 1210 F C 1.629 177.642 175.800 0.355 0.000 1.103 1210 F CA 1.581 59.772 58.000 0.317 0.000 1.228 1210 F CB -0.158 38.965 39.000 0.205 0.000 0.984 1210 F HN 0.011 nan 8.300 nan 0.000 0.477 1211 L N -0.403 120.868 121.223 0.080 0.000 2.179 1211 L HA -0.097 4.243 4.340 0.000 0.000 0.208 1211 L C 2.419 179.189 176.870 -0.168 0.000 1.096 1211 L CA 1.471 56.190 54.840 -0.201 0.000 0.779 1211 L CB -1.028 40.918 42.059 -0.187 0.000 0.922 1211 L HN 0.291 nan 8.230 nan 0.000 0.443 1212 T N -5.456 109.061 114.554 -0.061 0.000 3.088 1212 T HA -0.053 4.297 4.350 0.000 0.000 0.259 1212 T C 1.657 176.260 174.700 -0.163 0.000 1.122 1212 T CA 0.902 62.953 62.100 -0.081 0.000 1.095 1212 T CB -0.305 68.550 68.868 -0.021 0.000 0.930 1212 T HN 0.114 nan 8.240 nan 0.000 0.508 1213 T N 2.312 116.757 114.554 -0.181 0.000 2.915 1213 T HA 0.307 4.658 4.350 0.000 0.000 0.269 1213 T C 1.242 175.542 174.700 -0.666 0.000 1.071 1213 T CA 0.629 62.572 62.100 -0.261 0.000 1.132 1213 T CB -0.572 68.276 68.868 -0.032 0.000 0.878 1213 T HN 0.739 nan 8.240 nan 0.000 0.479 1214 A N 1.711 123.854 122.820 -1.128 0.000 2.531 1214 A HA 0.260 4.580 4.320 0.000 0.000 0.236 1214 A C 0.341 177.513 177.584 -0.687 0.000 1.062 1214 A CA 0.006 51.186 52.037 -1.428 0.000 0.760 1214 A CB 0.021 18.089 19.000 -1.553 0.000 0.995 1214 A HN 0.358 nan 8.150 nan 0.000 0.501 1215 K N 1.315 121.360 120.400 -0.593 0.000 2.227 1215 K HA 0.252 4.572 4.320 0.000 0.000 0.280 1215 K C -0.553 175.845 176.600 -0.336 0.000 1.041 1215 K CA -0.277 55.790 56.287 -0.366 0.000 0.905 1215 K CB 0.347 32.669 32.500 -0.296 0.000 1.068 1215 K HN 0.740 nan 8.250 nan 0.000 0.470 1216 D N 3.875 124.133 120.400 -0.238 0.000 2.882 1216 D HA -0.217 4.423 4.640 0.000 0.000 0.229 1216 D C -0.569 175.586 176.300 -0.241 0.000 1.167 1216 D CA 1.302 55.185 54.000 -0.195 0.000 0.759 1216 D CB -0.619 40.090 40.800 -0.152 0.000 1.088 1216 D HN 0.881 nan 8.370 nan 0.000 0.425 1217 K N -1.943 118.286 120.400 -0.284 0.000 3.193 1217 K HA -0.299 4.021 4.320 0.000 0.000 0.294 1217 K C 0.769 177.154 176.600 -0.357 0.000 1.185 1217 K CA 1.575 57.657 56.287 -0.343 0.000 0.866 1217 K CB -1.312 30.874 32.500 -0.522 0.000 1.227 1217 K HN 0.511 nan 8.250 nan 0.000 0.467 1218 N N 0.195 118.703 118.700 -0.319 0.000 2.145 1218 N HA -0.003 4.737 4.740 0.000 0.000 0.219 1218 N C -0.103 175.214 175.510 -0.322 0.000 1.266 1218 N CA -0.161 52.762 53.050 -0.212 0.000 0.902 1218 N CB 0.446 38.862 38.487 -0.119 0.000 1.078 1218 N HN 0.421 nan 8.380 nan 0.000 0.513 1219 R N -1.238 118.927 120.500 -0.559 0.000 2.643 1219 R HA 0.330 4.671 4.340 0.000 0.000 0.269 1219 R C -1.730 174.273 176.300 -0.495 0.000 1.037 1219 R CA -0.734 54.960 56.100 -0.675 0.000 0.894 1219 R CB 0.779 30.163 30.300 -1.527 0.000 1.238 1219 R HN -0.039 nan 8.270 nan 0.000 0.459 1220 W N 2.661 123.746 121.300 -0.357 0.000 2.329 1220 W HA 0.301 4.961 4.660 0.000 0.000 0.312 1220 W C -0.363 176.073 176.519 -0.139 0.000 1.054 1220 W CA -0.249 56.976 57.345 -0.200 0.000 1.245 1220 W CB 1.913 31.301 29.460 -0.120 0.000 1.255 1220 W HN 0.750 nan 8.180 nan 0.000 0.436 1221 E N 1.988 122.198 120.200 0.017 0.000 2.366 1221 E HA 0.400 4.750 4.350 0.000 0.000 0.278 1221 E C -1.479 175.154 176.600 0.056 0.000 0.923 1221 E CA -0.773 55.654 56.400 0.044 0.000 0.761 1221 E CB 2.602 32.287 29.700 -0.025 0.000 1.231 1221 E HN 0.109 nan 8.360 nan 0.000 0.443 1222 D N 2.439 122.899 120.400 0.100 0.000 2.433 1222 D HA 0.333 4.973 4.640 0.000 0.000 0.236 1222 D C -2.389 173.948 176.300 0.061 0.000 1.026 1222 D CA -1.566 52.484 54.000 0.084 0.000 0.884 1222 D CB 1.925 42.800 40.800 0.124 0.000 1.384 1222 D HN 0.321 nan 8.370 nan 0.000 0.477 1223 P HA 0.277 nan 4.420 nan 0.000 0.262 1223 P C 0.124 177.438 177.300 0.023 0.000 1.199 1223 P CA 0.304 63.417 63.100 0.022 0.000 0.763 1223 P CB 0.496 32.204 31.700 0.013 0.000 0.790 1224 G N 2.058 110.854 108.800 -0.007 0.000 2.340 1224 G HA2 -0.010 3.950 3.960 0.000 0.000 0.282 1224 G HA3 -0.010 3.950 3.960 0.000 0.000 0.282 1224 G C -1.359 173.456 174.900 -0.141 0.000 1.312 1224 G CA -1.029 44.038 45.100 -0.055 0.000 0.942 1224 G HN 0.403 nan 8.290 nan 0.000 0.495 1225 K N 0.209 120.401 120.400 -0.346 0.000 2.491 1225 K HA 0.026 4.346 4.320 0.000 0.000 0.279 1225 K C 1.229 177.650 176.600 -0.299 0.000 1.026 1225 K CA 0.224 56.242 56.287 -0.449 0.000 1.070 1225 K CB 0.970 32.946 32.500 -0.874 0.000 0.887 1225 K HN 0.498 nan 8.250 nan 0.000 0.481 1226 Q N 3.032 122.740 119.800 -0.154 0.000 2.226 1226 Q HA -0.092 4.248 4.340 0.000 0.000 0.204 1226 Q C 1.559 177.527 176.000 -0.054 0.000 0.975 1226 Q CA 1.324 57.100 55.803 -0.046 0.000 0.866 1226 Q CB 0.017 28.741 28.738 -0.024 0.000 0.915 1226 Q HN 0.668 nan 8.270 nan 0.000 0.440 1227 L N -0.770 120.366 121.223 -0.146 0.000 2.079 1227 L HA -0.232 4.108 4.340 0.000 0.000 0.210 1227 L C 1.708 178.626 176.870 0.081 0.000 1.081 1227 L CA 1.097 55.856 54.840 -0.135 0.000 0.752 1227 L CB -0.406 41.584 42.059 -0.115 0.000 0.896 1227 L HN 0.341 nan 8.230 nan 0.000 0.433 1228 Y N -0.153 120.148 120.300 0.002 0.000 2.274 1228 Y HA -0.190 4.360 4.550 0.000 0.000 0.290 1228 Y C 2.516 178.525 175.900 0.182 0.000 1.145 1228 Y CA 0.608 58.746 58.100 0.064 0.000 1.203 1228 Y CB -1.013 37.434 38.460 -0.022 0.000 0.984 1228 Y HN 0.335 nan 8.280 nan 0.000 0.533 1229 N N -0.422 118.457 118.700 0.298 0.000 2.300 1229 N HA -0.087 4.654 4.740 0.000 0.000 0.179 1229 N C 2.042 177.739 175.510 0.312 0.000 1.016 1229 N CA 0.880 54.100 53.050 0.283 0.000 0.876 1229 N CB -0.489 38.140 38.487 0.236 0.000 0.979 1229 N HN 0.177 nan 8.380 nan 0.000 0.432 1230 V N 1.625 121.682 119.914 0.238 0.000 2.427 1230 V HA -0.160 3.960 4.120 0.000 0.000 0.248 1230 V C 2.423 178.598 176.094 0.135 0.000 1.051 1230 V CA 1.471 63.878 62.300 0.178 0.000 1.048 1230 V CB -0.364 31.354 31.823 -0.175 0.000 0.666 1230 V HN 0.366 nan 8.190 nan 0.000 0.456 1231 E N 0.458 120.750 120.200 0.153 0.000 2.015 1231 E HA -0.200 4.150 4.350 0.000 0.000 0.191 1231 E C 2.303 179.046 176.600 0.239 0.000 0.991 1231 E CA 1.307 57.811 56.400 0.173 0.000 0.802 1231 E CB -0.246 29.634 29.700 0.300 0.000 0.759 1231 E HN 0.487 nan 8.360 nan 0.000 0.447 1232 A N 0.576 123.617 122.820 0.369 0.000 1.884 1232 A HA -0.251 4.069 4.320 0.000 0.000 0.219 1232 A C 2.425 180.096 177.584 0.144 0.000 1.197 1232 A CA 2.630 54.831 52.037 0.273 0.000 0.637 1232 A CB -1.321 17.888 19.000 0.349 0.000 0.827 1232 A HN 0.428 nan 8.150 nan 0.000 0.450 1233 T N -0.082 114.582 114.554 0.184 0.000 2.915 1233 T HA -0.060 4.290 4.350 0.000 0.000 0.269 1233 T C 2.144 176.889 174.700 0.075 0.000 1.071 1233 T CA 1.448 63.647 62.100 0.165 0.000 1.132 1233 T CB -0.243 68.747 68.868 0.204 0.000 0.878 1233 T HN 0.521 nan 8.240 nan 0.000 0.479 1234 S N 0.532 116.258 115.700 0.044 0.000 2.371 1234 S HA -0.025 4.445 4.470 0.000 0.000 0.224 1234 S C 1.701 176.200 174.600 -0.169 0.000 1.029 1234 S CA 0.671 58.827 58.200 -0.073 0.000 0.978 1234 S CB -0.447 62.674 63.200 -0.132 0.000 0.833 1234 S HN 0.446 nan 8.310 nan 0.000 0.466 1235 Y N 2.097 122.322 120.300 -0.126 0.000 2.128 1235 Y HA -0.116 4.434 4.550 0.000 0.000 0.284 1235 Y C 2.741 178.479 175.900 -0.270 0.000 1.154 1235 Y CA 0.469 58.433 58.100 -0.226 0.000 1.149 1235 Y CB -1.051 37.325 38.460 -0.139 0.000 0.976 1235 Y HN 0.266 nan 8.280 nan 0.000 0.505 1236 A N -0.513 122.217 122.820 -0.150 0.000 1.978 1236 A HA -0.190 4.130 4.320 0.000 0.000 0.220 1236 A C 2.215 179.716 177.584 -0.138 0.000 1.170 1236 A CA 1.752 53.568 52.037 -0.368 0.000 0.636 1236 A CB -1.023 17.077 19.000 -1.501 0.000 0.810 1236 A HN 0.434 nan 8.150 nan 0.000 0.448 1237 L N -0.441 120.730 121.223 -0.087 0.000 2.044 1237 L HA -0.009 4.331 4.340 0.000 0.000 0.205 1237 L C 2.218 179.073 176.870 -0.024 0.000 1.075 1237 L CA 1.561 56.411 54.840 0.017 0.000 0.747 1237 L CB -0.602 41.484 42.059 0.045 0.000 0.903 1237 L HN 0.365 nan 8.230 nan 0.000 0.435 1238 L N -0.250 120.870 121.223 -0.172 0.000 2.079 1238 L HA -0.233 4.107 4.340 0.000 0.000 0.210 1238 L C 2.688 179.484 176.870 -0.122 0.000 1.081 1238 L CA 1.325 55.981 54.840 -0.306 0.000 0.752 1238 L CB -0.970 40.522 42.059 -0.946 0.000 0.896 1238 L HN 0.415 nan 8.230 nan 0.000 0.433 1239 A N 0.057 122.834 122.820 -0.070 0.000 1.877 1239 A HA -0.179 4.141 4.320 0.000 0.000 0.216 1239 A C 2.251 179.783 177.584 -0.087 0.000 1.186 1239 A CA 1.507 53.521 52.037 -0.037 0.000 0.620 1239 A CB -0.753 18.039 19.000 -0.347 0.000 0.822 1239 A HN 0.355 nan 8.150 nan 0.000 0.443 1240 L N -0.641 120.581 121.223 -0.002 0.000 2.042 1240 L HA -0.204 4.136 4.340 0.000 0.000 0.210 1240 L C 2.553 179.368 176.870 -0.091 0.000 1.076 1240 L CA 1.141 55.989 54.840 0.014 0.000 0.749 1240 L CB -0.530 41.610 42.059 0.136 0.000 0.893 1240 L HN 0.388 nan 8.230 nan 0.000 0.432 1241 L N -1.095 120.105 121.223 -0.038 0.000 2.093 1241 L HA -0.188 4.152 4.340 0.000 0.000 0.208 1241 L C 2.796 179.632 176.870 -0.056 0.000 1.085 1241 L CA 0.787 55.597 54.840 -0.051 0.000 0.755 1241 L CB -0.517 41.599 42.059 0.095 0.000 0.904 1241 L HN 0.330 nan 8.230 nan 0.000 0.435 1242 Q N 0.125 119.923 119.800 -0.003 0.000 2.124 1242 Q HA -0.138 4.202 4.340 0.000 0.000 0.202 1242 Q C 2.236 178.195 176.000 -0.068 0.000 0.977 1242 Q CA 1.418 57.220 55.803 -0.002 0.000 0.850 1242 Q CB -0.208 28.542 28.738 0.020 0.000 0.901 1242 Q HN 0.531 nan 8.270 nan 0.000 0.429 1243 L N 0.246 121.400 121.223 -0.116 0.000 2.599 1243 L HA -0.019 4.321 4.340 0.000 0.000 0.230 1243 L C 0.389 177.159 176.870 -0.166 0.000 1.141 1243 L CA 0.085 54.846 54.840 -0.131 0.000 0.877 1243 L CB -0.076 41.901 42.059 -0.136 0.000 1.009 1243 L HN 0.128 nan 8.230 nan 0.000 0.447 1244 K N 0.236 120.476 120.400 -0.267 0.000 3.003 1244 K HA -0.248 4.072 4.320 0.000 0.000 0.257 1244 K C 0.121 176.346 176.600 -0.624 0.000 0.958 1244 K CA 0.757 56.722 56.287 -0.537 0.000 0.707 1244 K CB -1.139 31.290 32.500 -0.119 0.000 1.279 1244 K HN 0.163 nan 8.250 nan 0.000 0.479 1245 D N 0.149 120.274 120.400 -0.458 0.000 2.558 1245 D HA 0.059 4.699 4.640 0.000 0.000 0.221 1245 D C 0.242 176.452 176.300 -0.150 0.000 1.143 1245 D CA -0.313 53.575 54.000 -0.188 0.000 1.010 1245 D CB -0.174 40.611 40.800 -0.026 0.000 1.068 1245 D HN 0.136 nan 8.370 nan 0.000 0.511 1246 F N 0.417 120.463 119.950 0.161 0.000 2.661 1246 F HA 0.019 4.546 4.527 0.000 0.000 0.298 1246 F C 1.869 177.773 175.800 0.173 0.000 1.137 1246 F CA 0.078 58.181 58.000 0.171 0.000 1.454 1246 F CB -0.015 39.062 39.000 0.128 0.000 1.103 1246 F HN 0.164 nan 8.300 nan 0.000 0.577 1247 D N -0.145 120.433 120.400 0.298 0.000 2.097 1247 D HA -0.186 4.454 4.640 0.000 0.000 0.197 1247 D C 1.993 178.429 176.300 0.227 0.000 0.984 1247 D CA 1.292 55.431 54.000 0.231 0.000 0.826 1247 D CB -0.489 40.426 40.800 0.192 0.000 0.973 1247 D HN 0.210 nan 8.370 nan 0.000 0.460 1248 F N 0.401 120.427 119.950 0.126 0.000 2.325 1248 F HA -0.086 4.441 4.527 0.000 0.000 0.299 1248 F C 2.094 177.984 175.800 0.150 0.000 1.090 1248 F CA 0.407 58.482 58.000 0.125 0.000 1.392 1248 F CB 0.094 39.176 39.000 0.137 0.000 1.053 1248 F HN -0.202 nan 8.300 nan 0.000 0.521 1249 V N 1.366 121.505 119.914 0.374 0.000 2.255 1249 V HA -0.249 3.872 4.120 0.000 0.000 0.247 1249 V C -0.383 175.837 176.094 0.210 0.000 1.051 1249 V CA 2.268 64.767 62.300 0.332 0.000 1.018 1249 V CB -1.661 30.424 31.823 0.435 0.000 0.641 1249 V HN 0.188 nan 8.190 nan 0.000 0.445 1250 P HA -0.079 nan 4.420 nan 0.000 0.215 1250 P C -1.409 175.918 177.300 0.044 0.000 1.153 1250 P CA 1.684 64.847 63.100 0.105 0.000 0.853 1250 P CB -1.177 30.595 31.700 0.120 0.000 0.788 1251 P HA -0.108 nan 4.420 nan 0.000 0.217 1251 P C 1.549 178.889 177.300 0.066 0.000 1.150 1251 P CA 1.061 64.157 63.100 -0.007 0.000 0.832 1251 P CB -0.483 31.140 31.700 -0.130 0.000 0.787 1252 V N -0.400 119.577 119.914 0.105 0.000 2.295 1252 V HA -0.196 3.924 4.120 0.000 0.000 0.246 1252 V C 2.478 178.671 176.094 0.164 0.000 1.049 1252 V CA 1.773 64.194 62.300 0.202 0.000 1.024 1252 V CB -1.320 30.687 31.823 0.306 0.000 0.648 1252 V HN -0.034 nan 8.190 nan 0.000 0.447 1253 V N -0.376 119.551 119.914 0.023 0.000 2.407 1253 V HA -0.244 3.876 4.120 0.000 0.000 0.248 1253 V C 2.603 178.672 176.094 -0.042 0.000 1.055 1253 V CA 1.975 64.199 62.300 -0.127 0.000 1.049 1253 V CB -0.784 30.736 31.823 -0.506 0.000 0.662 1253 V HN 0.436 nan 8.190 nan 0.000 0.455 1254 R N -1.497 119.011 120.500 0.014 0.000 2.073 1254 R HA -0.240 4.100 4.340 0.000 0.000 0.234 1254 R C 2.153 178.504 176.300 0.085 0.000 1.134 1254 R CA 2.266 58.388 56.100 0.037 0.000 0.952 1254 R CB -0.403 29.925 30.300 0.047 0.000 0.850 1254 R HN 0.680 nan 8.270 nan 0.000 0.433 1255 W N 1.189 122.468 121.300 -0.035 0.000 2.358 1255 W HA -0.173 4.487 4.660 0.001 0.000 0.303 1255 W C 1.532 178.032 176.519 -0.031 0.000 1.208 1255 W CA 1.320 58.650 57.345 -0.025 0.000 1.274 1255 W CB -0.218 29.236 29.460 -0.009 0.000 1.138 1255 W HN 0.011 nan 8.180 nan 0.000 0.515 1256 L N 0.329 121.630 121.223 0.130 0.000 2.027 1256 L HA -0.225 4.115 4.340 0.000 0.000 0.206 1256 L C 2.218 178.950 176.870 -0.229 0.000 1.074 1256 L CA 1.998 56.779 54.840 -0.098 0.000 0.745 1256 L CB -1.157 40.931 42.059 0.048 0.000 0.898 1256 L HN 0.049 nan 8.230 nan 0.000 0.433 1257 N N -0.209 118.413 118.700 -0.130 0.000 2.104 1257 N HA -0.230 4.510 4.740 0.000 0.000 0.190 1257 N C 1.546 176.964 175.510 -0.153 0.000 1.024 1257 N CA 1.267 54.256 53.050 -0.102 0.000 0.853 1257 N CB -0.033 38.431 38.487 -0.039 0.000 1.008 1257 N HN 0.361 nan 8.380 nan 0.000 0.424 1258 E N 0.346 120.424 120.200 -0.202 0.000 2.409 1258 E HA -0.108 4.242 4.350 0.000 0.000 0.198 1258 E C 1.430 177.818 176.600 -0.354 0.000 1.024 1258 E CA 0.369 56.631 56.400 -0.230 0.000 0.861 1258 E CB 0.173 29.756 29.700 -0.194 0.000 0.788 1258 E HN 0.371 nan 8.360 nan 0.000 0.521 1259 Q N 0.150 119.650 119.800 -0.501 0.000 2.369 1259 Q HA -0.030 4.310 4.340 0.000 0.000 0.206 1259 Q C 0.265 176.057 176.000 -0.348 0.000 0.963 1259 Q CA 0.384 55.897 55.803 -0.483 0.000 0.894 1259 Q CB 0.012 28.380 28.738 -0.617 0.000 0.965 1259 Q HN 0.221 nan 8.270 nan 0.000 0.475 1260 R N -0.050 120.225 120.500 -0.374 0.000 3.333 1260 R HA -0.231 4.110 4.340 0.000 0.000 0.256 1260 R C -0.870 174.827 176.300 -1.007 0.000 1.010 1260 R CA 0.265 55.973 56.100 -0.653 0.000 0.680 1260 R CB -2.325 27.763 30.300 -0.354 0.000 1.102 1260 R HN 0.188 nan 8.270 nan 0.000 0.440 1261 Y N 0.510 120.339 120.300 -0.785 0.000 2.454 1261 Y HA 0.211 4.761 4.550 0.000 0.000 0.345 1261 Y C -0.008 175.692 175.900 -0.333 0.000 0.970 1261 Y CA -0.830 56.964 58.100 -0.509 0.000 1.204 1261 Y CB 0.386 38.654 38.460 -0.321 0.000 1.122 1261 Y HN 0.104 nan 8.280 nan 0.000 0.514 1262 Y N 3.568 123.543 120.300 -0.541 0.000 2.584 1262 Y HA 0.419 4.969 4.550 0.000 0.000 0.254 1262 Y C 1.282 177.177 175.900 -0.009 0.000 1.177 1262 Y CA -0.576 57.492 58.100 -0.053 0.000 1.216 1262 Y CB 0.007 38.521 38.460 0.090 0.000 1.172 1262 Y HN 0.806 nan 8.280 nan 0.000 0.529 1263 G N 0.413 108.899 108.800 -0.523 0.000 2.806 1263 G HA2 0.255 4.215 3.960 0.000 0.000 0.236 1263 G HA3 0.255 4.215 3.960 0.000 0.000 0.236 1263 G C 0.165 175.165 174.900 0.166 0.000 1.387 1263 G CA 0.121 45.167 45.100 -0.090 0.000 0.884 1263 G HN 1.299 nan 8.290 nan 0.000 0.560 1264 G N -2.025 106.908 108.800 0.221 0.000 2.712 1264 G HA2 0.552 4.512 3.960 0.000 0.000 0.686 1264 G HA3 0.552 4.512 3.960 0.000 0.000 0.686 1264 G C 1.098 176.106 174.900 0.180 0.000 1.181 1264 G CA 0.729 45.970 45.100 0.235 0.000 0.762 1264 G HN 3.264 nan 8.290 nan 0.000 0.641 1265 G N -0.253 108.647 108.800 0.166 0.000 2.612 1265 G HA2 0.377 4.337 3.960 0.000 0.000 0.686 1265 G HA3 0.377 4.337 3.960 0.000 0.000 0.686 1265 G C -0.155 174.851 174.900 0.178 0.000 1.274 1265 G CA 0.092 45.292 45.100 0.166 0.000 0.849 1265 G HN 2.284 nan 8.290 nan 0.000 0.595 1266 Y N 1.249 121.598 120.300 0.081 0.000 2.717 1266 Y HA 0.335 4.885 4.550 0.000 0.000 0.330 1266 Y C 1.635 177.584 175.900 0.082 0.000 1.217 1266 Y CA 1.852 59.997 58.100 0.075 0.000 1.506 1266 Y CB 0.596 39.092 38.460 0.060 0.000 1.268 1266 Y HN 2.525 nan 8.280 nan 0.000 0.561 1267 G N 3.063 111.525 108.800 -0.563 0.000 2.162 1267 G HA2 -0.352 3.608 3.960 0.000 0.000 0.260 1267 G HA3 -0.352 3.608 3.960 0.000 0.000 0.260 1267 G C 0.791 175.653 174.900 -0.063 0.000 0.976 1267 G CA 0.766 45.634 45.100 -0.387 0.000 0.655 1267 G HN 1.350 nan 8.290 nan 0.000 0.533 1268 S N -1.160 114.561 115.700 0.035 0.000 2.556 1268 S HA 0.234 4.705 4.470 0.000 0.000 0.216 1268 S C 1.859 176.570 174.600 0.185 0.000 0.970 1268 S CA 1.303 59.609 58.200 0.176 0.000 0.912 1268 S CB 0.106 63.461 63.200 0.259 0.000 0.790 1268 S HN 0.345 nan 8.310 nan 0.000 0.504 1269 T N 2.683 117.297 114.554 0.100 0.000 2.708 1269 T HA -0.094 4.256 4.350 0.000 0.000 0.266 1269 T C 1.905 176.738 174.700 0.221 0.000 1.037 1269 T CA 1.587 63.774 62.100 0.145 0.000 1.146 1269 T CB -0.269 68.616 68.868 0.028 0.000 0.865 1269 T HN 0.341 nan 8.240 nan 0.000 0.435 1270 Q N 0.689 120.585 119.800 0.159 0.000 2.083 1270 Q HA 0.150 4.490 4.340 0.000 0.000 0.198 1270 Q C 2.679 178.828 176.000 0.248 0.000 0.969 1270 Q CA 1.472 57.415 55.803 0.233 0.000 0.838 1270 Q CB -0.861 28.007 28.738 0.216 0.000 0.900 1270 Q HN 0.562 nan 8.270 nan 0.000 0.436 1271 A N 0.292 123.227 122.820 0.191 0.000 1.930 1271 A HA -0.133 4.187 4.320 0.000 0.000 0.217 1271 A C 2.320 180.055 177.584 0.251 0.000 1.175 1271 A CA 1.912 54.017 52.037 0.113 0.000 0.627 1271 A CB -0.717 18.228 19.000 -0.091 0.000 0.815 1271 A HN 0.381 nan 8.150 nan 0.000 0.443 1272 T N -0.961 113.825 114.554 0.388 0.000 2.701 1272 T HA -0.095 4.255 4.350 0.000 0.000 0.263 1272 T C 1.639 176.589 174.700 0.415 0.000 1.040 1272 T CA 1.452 63.828 62.100 0.461 0.000 1.147 1272 T CB -0.443 68.668 68.868 0.405 0.000 0.865 1272 T HN 0.421 nan 8.240 nan 0.000 0.426 1273 F N 1.379 121.488 119.950 0.266 0.000 2.065 1273 F HA -0.190 4.337 4.527 0.000 0.000 0.298 1273 F C 2.247 178.131 175.800 0.140 0.000 1.112 1273 F CA 1.418 59.556 58.000 0.229 0.000 1.212 1273 F CB -0.191 38.976 39.000 0.278 0.000 0.975 1273 F HN 0.014 nan 8.300 nan 0.000 0.476 1274 M N -0.748 119.001 119.600 0.249 0.000 2.200 1274 M HA -0.098 4.382 4.480 0.000 0.000 0.265 1274 M C 2.376 178.609 176.300 -0.111 0.000 1.066 1274 M CA 0.972 56.274 55.300 0.005 0.000 1.127 1274 M CB -1.415 31.081 32.600 -0.172 0.000 1.379 1274 M HN 0.192 nan 8.290 nan 0.000 0.420 1275 V N -0.333 119.513 119.914 -0.113 0.000 2.379 1275 V HA -0.225 3.895 4.120 0.000 0.000 0.245 1275 V C 1.982 177.844 176.094 -0.386 0.000 1.044 1275 V CA 1.652 63.786 62.300 -0.278 0.000 1.036 1275 V CB -0.341 31.265 31.823 -0.362 0.000 0.664 1275 V HN 0.262 nan 8.190 nan 0.000 0.453 1276 F N 0.000 119.898 119.950 -0.087 0.000 2.416 1276 F HA 0.011 4.538 4.527 0.000 0.000 0.296 1276 F C 2.432 178.236 175.800 0.007 0.000 1.099 1276 F CA 1.456 59.378 58.000 -0.130 0.000 1.427 1276 F CB -0.641 38.238 39.000 -0.200 0.000 1.079 1276 F HN 0.176 nan 8.300 nan 0.000 0.536 1277 Q N 0.743 120.543 119.800 0.001 0.000 2.030 1277 Q HA -0.246 4.095 4.340 0.000 0.000 0.204 1277 Q C 2.442 178.483 176.000 0.068 0.000 0.986 1277 Q CA 2.016 57.790 55.803 -0.048 0.000 0.843 1277 Q CB -0.306 28.284 28.738 -0.247 0.000 0.904 1277 Q HN 0.368 nan 8.270 nan 0.000 0.420 1278 A N 0.743 123.554 122.820 -0.014 0.000 1.865 1278 A HA -0.199 4.122 4.320 0.000 0.000 0.217 1278 A C 2.092 179.756 177.584 0.133 0.000 1.191 1278 A CA 1.577 53.617 52.037 0.005 0.000 0.623 1278 A CB -0.879 18.078 19.000 -0.071 0.000 0.826 1278 A HN 0.473 nan 8.150 nan 0.000 0.444 1279 L N -1.026 120.281 121.223 0.140 0.000 2.093 1279 L HA -0.169 4.172 4.340 0.000 0.000 0.208 1279 L C 3.083 180.232 176.870 0.465 0.000 1.085 1279 L CA 0.972 55.983 54.840 0.284 0.000 0.755 1279 L CB -0.523 41.639 42.059 0.172 0.000 0.904 1279 L HN 0.461 nan 8.230 nan 0.000 0.435 1280 A N -0.501 122.601 122.820 0.470 0.000 1.898 1280 A HA -0.257 4.063 4.320 0.000 0.000 0.216 1280 A C 2.200 179.899 177.584 0.191 0.000 1.181 1280 A CA 1.586 53.819 52.037 0.326 0.000 0.620 1280 A CB -0.483 18.702 19.000 0.307 0.000 0.819 1280 A HN 0.355 nan 8.150 nan 0.000 0.442 1281 Q N -1.270 118.661 119.800 0.219 0.000 2.096 1281 Q HA -0.236 4.104 4.340 0.000 0.000 0.204 1281 Q C 1.815 177.918 176.000 0.171 0.000 0.982 1281 Q CA 2.367 58.272 55.803 0.170 0.000 0.850 1281 Q CB -0.652 28.180 28.738 0.156 0.000 0.901 1281 Q HN 0.757 nan 8.270 nan 0.000 0.422 1282 Y N 0.298 120.679 120.300 0.135 0.000 2.128 1282 Y HA -0.274 4.276 4.550 0.000 0.000 0.284 1282 Y C 1.947 177.920 175.900 0.121 0.000 1.154 1282 Y CA 2.113 60.305 58.100 0.153 0.000 1.149 1282 Y CB -0.164 38.387 38.460 0.153 0.000 0.976 1282 Y HN 0.172 nan 8.280 nan 0.000 0.505 1283 Q N 0.615 120.382 119.800 -0.053 0.000 2.167 1283 Q HA -0.183 4.158 4.340 0.000 0.000 0.202 1283 Q C 2.227 178.121 176.000 -0.176 0.000 0.970 1283 Q CA 1.502 57.208 55.803 -0.162 0.000 0.855 1283 Q CB -0.302 28.419 28.738 -0.028 0.000 0.911 1283 Q HN 0.547 nan 8.270 nan 0.000 0.438 1284 K N 0.411 120.755 120.400 -0.094 0.000 2.062 1284 K HA -0.130 4.190 4.320 0.000 0.000 0.205 1284 K C 0.838 177.393 176.600 -0.075 0.000 1.051 1284 K CA 1.346 57.591 56.287 -0.069 0.000 0.941 1284 K CB 0.331 32.824 32.500 -0.012 0.000 0.719 1284 K HN 0.036 nan 8.250 nan 0.000 0.440 1285 D N -0.154 120.211 120.400 -0.057 0.000 2.324 1285 D HA 0.088 4.728 4.640 0.000 0.000 0.212 1285 D C -0.048 176.180 176.300 -0.120 0.000 0.984 1285 D CA 0.230 54.240 54.000 0.017 0.000 0.885 1285 D CB 0.210 41.133 40.800 0.204 0.000 0.996 1285 D HN 0.178 nan 8.370 nan 0.000 0.505 1286 A N 2.567 125.216 122.820 -0.285 0.000 2.450 1286 A HA 0.403 4.724 4.320 0.000 0.000 0.255 1286 A C -1.678 175.603 177.584 -0.505 0.000 1.096 1286 A CA -0.872 50.861 52.037 -0.507 0.000 0.778 1286 A CB -0.121 18.495 19.000 -0.639 0.000 1.031 1286 A HN 0.005 nan 8.150 nan 0.000 0.494 1287 P HA 0.000 nan 4.420 nan 0.000 0.216 1287 P CA 0.000 62.852 63.100 -0.413 0.000 0.800 1287 P CB 0.000 31.434 31.700 -0.444 0.000 0.726