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 1b8a_1_B DATA FIRST_RESID 1001 DATA SEQUENCE MYRTHYSSEI TEELNGQKVK VAGWVWEVKD LGGIKFLWIR DRDGIVQITA DATA SEQUENCE PKKKVDPELF KLIPKLRSED VVAVEGVVNF TPKAKLGFEI LPEKIVVLNR DATA SEQUENCE AETPLPLDPT GKVKAELDTR LNNRFMDLRR PEVMAIFKIR SSVFKAVRDF DATA SEQUENCE FHENGFIEIH TPKIIATATE GGTELFPMKY FEEDAFLAES PQLYKEIMMA DATA SEQUENCE SGLDRVYEIA PIFRAEEHNT TRHLNEAWSI DSEMAFIEDE EEVMSFLERL DATA SEQUENCE VAHAINYVRE HNAKELDILN FELEEPKLPF PRVSYDKALE ILGDLGKEIP DATA SEQUENCE WGEDIDTEGE RLLGKYMMEN ENAPLYFLYQ YPSEAKPFYI MKYDNKPEIC DATA SEQUENCE RAFDLEYRGV EISSGGQREH RHDILVEQIK EKGLNPESFE FYLKAFRYGM DATA SEQUENCE PPHGGFGLGA ERLIKQMLDL PNIREVILFP RDRRRLTP 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 1001 M HA 0.000 nan 4.480 nan 0.000 0.227 1001 M C 0.000 176.164 176.300 -0.227 0.000 1.140 1001 M CA 0.000 55.202 55.300 -0.163 0.000 0.988 1001 M CB 0.000 32.553 32.600 -0.079 0.000 1.302 1002 Y N 0.812 121.080 120.300 -0.052 0.000 2.583 1002 Y HA 0.063 4.614 4.550 0.003 0.000 0.293 1002 Y C 1.301 177.162 175.900 -0.064 0.000 1.157 1002 Y CA 0.704 58.770 58.100 -0.056 0.000 1.315 1002 Y CB 0.242 38.661 38.460 -0.068 0.000 1.021 1002 Y HN 0.540 nan 8.280 nan 0.000 0.536 1003 R N -1.672 118.840 120.500 0.021 0.000 2.771 1003 R HA 0.454 4.795 4.340 0.003 0.000 0.274 1003 R C 0.268 176.530 176.300 -0.064 0.000 0.987 1003 R CA -0.062 56.020 56.100 -0.029 0.000 0.908 1003 R CB 1.168 31.395 30.300 -0.120 0.000 1.213 1003 R HN -0.049 nan 8.270 nan 0.000 0.468 1004 T N -2.847 111.696 114.554 -0.018 0.000 3.000 1004 T HA 0.264 4.616 4.350 0.003 0.000 0.248 1004 T C -0.049 174.465 174.700 -0.310 0.000 1.034 1004 T CA 0.200 62.249 62.100 -0.085 0.000 1.060 1004 T CB -0.183 68.740 68.868 0.092 0.000 0.983 1004 T HN 0.681 nan 8.240 nan 0.000 0.482 1005 H N -0.789 118.248 119.070 -0.055 0.000 2.894 1005 H HA 0.594 5.152 4.556 0.002 0.000 0.367 1005 H C -1.591 173.716 175.328 -0.034 0.000 1.144 1005 H CA -1.096 54.945 56.048 -0.012 0.000 1.180 1005 H CB 0.925 30.697 29.762 0.017 0.000 1.758 1005 H HN 0.083 nan 8.280 nan 0.000 0.541 1006 Y N 0.312 120.721 120.300 0.181 0.000 2.326 1006 Y HA 0.054 4.605 4.550 0.002 0.000 0.324 1006 Y C 1.948 177.961 175.900 0.187 0.000 1.291 1006 Y CA 0.595 58.792 58.100 0.161 0.000 1.348 1006 Y CB 1.093 39.627 38.460 0.124 0.000 1.294 1006 Y HN 0.828 nan 8.280 nan 0.000 0.525 1007 S N -0.927 115.001 115.700 0.380 0.000 2.392 1007 S HA -0.257 4.215 4.470 0.003 0.000 0.232 1007 S C 1.747 176.537 174.600 0.318 0.000 1.041 1007 S CA 1.667 60.066 58.200 0.331 0.000 1.026 1007 S CB -0.933 62.414 63.200 0.245 0.000 0.845 1007 S HN 0.699 nan 8.310 nan 0.000 0.465 1008 S N 1.137 116.991 115.700 0.257 0.000 2.562 1008 S HA 0.136 4.608 4.470 0.003 0.000 0.221 1008 S C 1.169 175.881 174.600 0.186 0.000 0.975 1008 S CA 0.215 58.529 58.200 0.190 0.000 0.918 1008 S CB -0.363 62.902 63.200 0.109 0.000 0.772 1008 S HN 0.731 nan 8.310 nan 0.000 0.531 1009 E N 0.517 120.853 120.200 0.227 0.000 2.476 1009 E HA 0.328 4.679 4.350 0.003 0.000 0.196 1009 E C -0.489 176.218 176.600 0.178 0.000 1.029 1009 E CA -0.137 56.394 56.400 0.218 0.000 0.896 1009 E CB 0.290 30.158 29.700 0.279 0.000 1.012 1009 E HN 0.567 nan 8.360 nan 0.000 0.475 1010 I N 2.486 123.085 120.570 0.048 0.000 2.297 1010 I HA 0.107 4.279 4.170 0.003 0.000 0.291 1010 I C 0.380 176.451 176.117 -0.077 0.000 1.033 1010 I CA -0.284 60.884 61.300 -0.220 0.000 1.253 1010 I CB 1.028 38.595 38.000 -0.721 0.000 1.396 1010 I HN -0.031 nan 8.210 nan 0.000 0.476 1011 T N 0.192 114.766 114.554 0.033 0.000 2.927 1011 T HA 0.284 4.636 4.350 0.003 0.000 0.286 1011 T C 0.844 175.514 174.700 -0.051 0.000 1.040 1011 T CA -0.768 61.408 62.100 0.126 0.000 1.010 1011 T CB 1.881 70.768 68.868 0.032 0.000 1.177 1011 T HN 0.600 nan 8.240 nan 0.000 0.546 1012 E N 0.178 120.062 120.200 -0.528 0.000 2.171 1012 E HA -0.250 4.102 4.350 0.003 0.000 0.197 1012 E C 1.423 177.709 176.600 -0.524 0.000 0.997 1012 E CA 1.597 57.299 56.400 -1.165 0.000 0.810 1012 E CB -0.116 29.108 29.700 -0.793 0.000 0.738 1012 E HN 0.717 nan 8.360 nan 0.000 0.467 1013 E N 0.040 120.086 120.200 -0.257 0.000 2.267 1013 E HA -0.148 4.204 4.350 0.003 0.000 0.197 1013 E C 1.575 178.115 176.600 -0.101 0.000 0.998 1013 E CA 0.765 57.081 56.400 -0.141 0.000 0.830 1013 E CB -0.037 29.617 29.700 -0.075 0.000 0.751 1013 E HN 0.375 nan 8.360 nan 0.000 0.491 1014 L N 0.393 121.561 121.223 -0.092 0.000 2.592 1014 L HA 0.111 4.453 4.340 0.003 0.000 0.227 1014 L C 0.685 177.560 176.870 0.007 0.000 1.127 1014 L CA -0.347 54.460 54.840 -0.055 0.000 0.884 1014 L CB -0.389 41.595 42.059 -0.125 0.000 1.065 1014 L HN 0.103 nan 8.230 nan 0.000 0.457 1015 N N 1.065 119.780 118.700 0.025 0.000 2.294 1015 N HA -0.032 4.709 4.740 0.003 0.000 0.263 1015 N C 1.245 176.795 175.510 0.068 0.000 1.281 1015 N CA 0.879 54.015 53.050 0.144 0.000 0.846 1015 N CB 0.417 38.931 38.487 0.046 0.000 1.061 1015 N HN 0.334 nan 8.380 nan 0.000 0.478 1016 G N 1.763 110.612 108.800 0.083 0.000 2.205 1016 G HA2 -0.292 3.670 3.960 0.003 0.000 0.261 1016 G HA3 -0.292 3.670 3.960 0.003 0.000 0.261 1016 G C -0.005 174.906 174.900 0.019 0.000 0.980 1016 G CA 0.105 45.231 45.100 0.044 0.000 0.632 1016 G HN 0.642 nan 8.290 nan 0.000 0.533 1017 Q N -0.034 119.769 119.800 0.006 0.000 2.205 1017 Q HA 0.555 4.897 4.340 0.003 0.000 0.249 1017 Q C 0.064 176.054 176.000 -0.017 0.000 0.948 1017 Q CA -0.567 55.231 55.803 -0.009 0.000 0.895 1017 Q CB 1.126 29.851 28.738 -0.021 0.000 1.249 1017 Q HN 0.264 nan 8.270 nan 0.000 0.458 1018 K N 0.974 121.370 120.400 -0.007 0.000 2.276 1018 K HA 0.413 4.735 4.320 0.003 0.000 0.283 1018 K C -0.895 175.704 176.600 -0.002 0.000 1.044 1018 K CA -0.200 56.086 56.287 -0.001 0.000 0.944 1018 K CB 0.968 33.474 32.500 0.009 0.000 1.012 1018 K HN 0.249 nan 8.250 nan 0.000 0.472 1019 V N 2.629 122.540 119.914 -0.004 0.000 3.160 1019 V HA 0.392 4.513 4.120 0.003 0.000 0.310 1019 V C -1.100 175.027 176.094 0.054 0.000 1.181 1019 V CA -1.075 61.237 62.300 0.020 0.000 1.047 1019 V CB 2.508 34.264 31.823 -0.112 0.000 1.068 1019 V HN 0.654 nan 8.190 nan 0.000 0.441 1020 K N 1.230 121.689 120.400 0.098 0.000 2.463 1020 K HA 0.746 5.068 4.320 0.003 0.000 0.255 1020 K C -1.119 175.527 176.600 0.077 0.000 0.942 1020 K CA -0.496 55.834 56.287 0.072 0.000 0.814 1020 K CB 2.188 34.721 32.500 0.055 0.000 1.122 1020 K HN 0.616 nan 8.250 nan 0.000 0.425 1021 V N -0.893 119.060 119.914 0.065 0.000 3.019 1021 V HA 1.015 5.137 4.120 0.003 0.000 0.317 1021 V C -0.712 175.404 176.094 0.036 0.000 1.094 1021 V CA -0.843 61.492 62.300 0.059 0.000 1.000 1021 V CB 1.680 33.564 31.823 0.101 0.000 1.060 1021 V HN 0.844 nan 8.190 nan 0.000 0.443 1022 A N 0.421 123.251 122.820 0.017 0.000 2.612 1022 A HA 1.055 5.376 4.320 0.003 0.000 0.293 1022 A C -0.081 177.513 177.584 0.016 0.000 1.075 1022 A CA 0.046 52.076 52.037 -0.011 0.000 0.680 1022 A CB 1.318 20.296 19.000 -0.037 0.000 1.279 1022 A HN 2.592 nan 8.150 nan 0.000 0.411 1023 G N -0.569 108.200 108.800 -0.052 0.000 2.455 1023 G HA2 0.376 4.338 3.960 0.003 0.000 0.223 1023 G HA3 0.376 4.338 3.960 0.003 0.000 0.223 1023 G C -1.693 173.159 174.900 -0.079 0.000 1.226 1023 G CA -0.515 44.618 45.100 0.055 0.000 0.948 1023 G HN 0.875 nan 8.290 nan 0.000 0.478 1024 W N 0.574 121.946 121.300 0.119 0.000 2.551 1024 W HA 0.554 5.215 4.660 0.002 0.000 0.330 1024 W C -0.002 176.626 176.519 0.181 0.000 1.063 1024 W CA -0.679 56.746 57.345 0.134 0.000 1.222 1024 W CB 1.944 31.495 29.460 0.151 0.000 1.349 1024 W HN 0.294 nan 8.180 nan 0.000 0.536 1025 V N 4.029 124.138 119.914 0.326 0.000 2.450 1025 V HA -0.185 3.936 4.120 0.003 0.000 0.281 1025 V C 0.851 177.173 176.094 0.381 0.000 1.019 1025 V CA 0.628 63.103 62.300 0.292 0.000 1.062 1025 V CB 0.543 32.471 31.823 0.175 0.000 0.979 1025 V HN 0.747 nan 8.190 nan 0.000 0.477 1026 W N 5.067 126.497 121.300 0.215 0.000 2.580 1026 W HA 0.215 4.877 4.660 0.003 0.000 0.287 1026 W C 0.674 177.285 176.519 0.153 0.000 1.175 1026 W CA 0.552 58.001 57.345 0.173 0.000 1.409 1026 W CB 0.711 30.278 29.460 0.178 0.000 1.101 1026 W HN 0.645 nan 8.180 nan 0.000 0.558 1027 E N 0.402 120.739 120.200 0.228 0.000 2.390 1027 E HA 0.367 4.719 4.350 0.003 0.000 0.280 1027 E C -2.082 174.750 176.600 0.387 0.000 0.992 1027 E CA -0.488 55.973 56.400 0.103 0.000 0.790 1027 E CB 2.395 32.026 29.700 -0.115 0.000 1.248 1027 E HN -0.223 nan 8.360 nan 0.000 0.447 1028 V N 3.296 123.359 119.914 0.248 0.000 2.638 1028 V HA 0.474 4.595 4.120 0.003 0.000 0.306 1028 V C -0.836 175.406 176.094 0.246 0.000 1.052 1028 V CA -0.753 61.691 62.300 0.240 0.000 0.885 1028 V CB 1.940 33.823 31.823 0.100 0.000 0.999 1028 V HN 0.559 nan 8.190 nan 0.000 0.424 1029 K N 2.881 123.476 120.400 0.325 0.000 2.450 1029 K HA 0.378 4.700 4.320 0.003 0.000 0.257 1029 K C -1.317 175.384 176.600 0.168 0.000 0.953 1029 K CA -0.671 55.789 56.287 0.289 0.000 0.844 1029 K CB 2.043 34.827 32.500 0.473 0.000 1.103 1029 K HN 0.637 nan 8.250 nan 0.000 0.429 1030 D N 4.726 125.164 120.400 0.062 0.000 2.443 1030 D HA 0.159 4.800 4.640 0.003 0.000 0.221 1030 D C -0.171 176.137 176.300 0.013 0.000 1.097 1030 D CA -0.349 53.626 54.000 -0.041 0.000 0.865 1030 D CB 0.688 41.434 40.800 -0.090 0.000 1.034 1030 D HN 0.455 nan 8.370 nan 0.000 0.511 1031 L N 3.771 125.018 121.223 0.041 0.000 3.034 1031 L HA 0.347 4.689 4.340 0.003 0.000 0.245 1031 L C 1.569 178.479 176.870 0.066 0.000 1.295 1031 L CA -0.277 54.616 54.840 0.088 0.000 1.068 1031 L CB 0.092 42.266 42.059 0.191 0.000 1.426 1031 L HN 0.679 nan 8.230 nan 0.000 0.531 1032 G N 0.811 109.630 108.800 0.032 0.000 2.779 1032 G HA2 -0.339 3.623 3.960 0.003 0.000 0.284 1032 G HA3 -0.339 3.623 3.960 0.003 0.000 0.284 1032 G C 0.902 175.906 174.900 0.172 0.000 1.326 1032 G CA 0.032 45.175 45.100 0.072 0.000 0.983 1032 G HN 0.401 nan 8.290 nan 0.000 0.555 1033 G N 0.515 109.415 108.800 0.167 0.000 2.679 1033 G HA2 0.395 4.357 3.960 0.003 0.000 0.212 1033 G HA3 0.395 4.357 3.960 0.003 0.000 0.212 1033 G C 0.577 175.614 174.900 0.227 0.000 1.137 1033 G CA 1.431 46.651 45.100 0.201 0.000 0.787 1033 G HN 1.314 nan 8.290 nan 0.000 0.534 1034 I N -1.066 119.596 120.570 0.153 0.000 2.827 1034 I HA 0.512 4.684 4.170 0.003 0.000 0.298 1034 I C -1.568 174.435 176.117 -0.189 0.000 1.235 1034 I CA -1.109 60.190 61.300 -0.003 0.000 1.021 1034 I CB 2.130 40.047 38.000 -0.139 0.000 1.259 1034 I HN -0.149 nan 8.210 nan 0.000 0.427 1035 K N 5.870 126.034 120.400 -0.392 0.000 2.435 1035 K HA 0.616 4.937 4.320 0.003 0.000 0.251 1035 K C -1.824 174.352 176.600 -0.707 0.000 0.954 1035 K CA -0.549 55.484 56.287 -0.424 0.000 0.820 1035 K CB 2.525 34.794 32.500 -0.384 0.000 1.292 1035 K HN 0.286 nan 8.250 nan 0.000 0.436 1036 F N 1.397 121.234 119.950 -0.189 0.000 2.551 1036 F HA 0.492 5.021 4.527 0.002 0.000 0.316 1036 F C -0.742 174.782 175.800 -0.460 0.000 1.089 1036 F CA -1.139 56.584 58.000 -0.462 0.000 0.915 1036 F CB 1.612 40.147 39.000 -0.775 0.000 1.186 1036 F HN 0.215 nan 8.300 nan 0.000 0.456 1037 L N 3.325 124.323 121.223 -0.376 0.000 2.381 1037 L HA 0.583 4.924 4.340 0.003 0.000 0.274 1037 L C -1.975 174.746 176.870 -0.247 0.000 0.988 1037 L CA -0.808 53.938 54.840 -0.157 0.000 0.824 1037 L CB 1.428 43.444 42.059 -0.070 0.000 1.263 1037 L HN 0.558 nan 8.230 nan 0.000 0.410 1038 W N 6.679 128.088 121.300 0.183 0.000 2.529 1038 W HA 0.556 5.218 4.660 0.002 0.000 0.321 1038 W C -0.748 175.918 176.519 0.245 0.000 1.047 1038 W CA -0.647 56.827 57.345 0.214 0.000 1.216 1038 W CB 1.932 31.588 29.460 0.326 0.000 1.357 1038 W HN 0.401 nan 8.180 nan 0.000 0.489 1039 I N 3.212 123.998 120.570 0.360 0.000 2.474 1039 I HA 0.408 4.580 4.170 0.003 0.000 0.294 1039 I C 0.244 176.534 176.117 0.288 0.000 1.005 1039 I CA -0.974 60.508 61.300 0.303 0.000 1.113 1039 I CB 2.162 40.277 38.000 0.193 0.000 1.289 1039 I HN 0.192 nan 8.210 nan 0.000 0.436 1040 R N 4.549 125.245 120.500 0.327 0.000 2.393 1040 R HA 0.418 4.760 4.340 0.003 0.000 0.310 1040 R C -1.456 175.038 176.300 0.323 0.000 0.968 1040 R CA -0.462 55.767 56.100 0.214 0.000 0.867 1040 R CB 1.334 31.711 30.300 0.129 0.000 1.124 1040 R HN 0.780 nan 8.270 nan 0.000 0.450 1041 D N 1.963 122.515 120.400 0.253 0.000 2.727 1041 D HA 0.151 4.792 4.640 0.003 0.000 0.264 1041 D C 0.711 177.131 176.300 0.200 0.000 1.101 1041 D CA -0.845 53.370 54.000 0.359 0.000 1.122 1041 D CB 0.533 41.612 40.800 0.465 0.000 1.390 1041 D HN 0.558 nan 8.370 nan 0.000 0.606 1042 R N -0.692 119.933 120.500 0.208 0.000 2.127 1042 R HA -0.097 4.245 4.340 0.003 0.000 0.238 1042 R C 0.064 176.347 176.300 -0.028 0.000 1.134 1042 R CA 1.550 57.666 56.100 0.026 0.000 0.975 1042 R CB -0.592 29.675 30.300 -0.055 0.000 0.865 1042 R HN 0.282 nan 8.270 nan 0.000 0.447 1043 D N -0.246 120.156 120.400 0.004 0.000 2.360 1043 D HA 0.237 4.878 4.640 0.003 0.000 0.210 1043 D C 0.780 177.079 176.300 -0.001 0.000 1.047 1043 D CA 1.054 55.045 54.000 -0.015 0.000 0.854 1043 D CB 1.206 42.001 40.800 -0.009 0.000 0.936 1043 D HN 0.486 nan 8.370 nan 0.000 0.514 1044 G N -0.160 108.646 108.800 0.010 0.000 2.351 1044 G HA2 0.198 4.160 3.960 0.003 0.000 0.279 1044 G HA3 0.198 4.160 3.960 0.003 0.000 0.279 1044 G C -1.753 173.129 174.900 -0.030 0.000 1.297 1044 G CA -0.830 44.244 45.100 -0.043 0.000 0.886 1044 G HN -0.066 nan 8.290 nan 0.000 0.493 1045 I N 0.589 121.120 120.570 -0.065 0.000 2.562 1045 I HA 0.670 4.842 4.170 0.003 0.000 0.301 1045 I C 0.011 176.169 176.117 0.068 0.000 1.003 1045 I CA -0.933 60.360 61.300 -0.012 0.000 1.127 1045 I CB 1.339 39.264 38.000 -0.125 0.000 1.304 1045 I HN 0.329 nan 8.210 nan 0.000 0.446 1046 V N 4.693 124.686 119.914 0.133 0.000 2.604 1046 V HA 0.371 4.493 4.120 0.003 0.000 0.305 1046 V C -0.100 176.024 176.094 0.050 0.000 1.043 1046 V CA -0.823 61.514 62.300 0.062 0.000 0.888 1046 V CB 1.976 33.883 31.823 0.140 0.000 0.995 1046 V HN 0.745 nan 8.190 nan 0.000 0.429 1047 Q N 3.572 123.309 119.800 -0.106 0.000 2.274 1047 Q HA 0.465 4.807 4.340 0.003 0.000 0.256 1047 Q C -1.356 174.516 176.000 -0.214 0.000 0.927 1047 Q CA -0.621 55.015 55.803 -0.278 0.000 0.939 1047 Q CB 1.220 29.828 28.738 -0.216 0.000 1.201 1047 Q HN 0.571 nan 8.270 nan 0.000 0.426 1048 I N 4.007 124.413 120.570 -0.273 0.000 2.330 1048 I HA 0.251 4.423 4.170 0.003 0.000 0.289 1048 I C -0.248 175.758 176.117 -0.186 0.000 1.001 1048 I CA -0.302 60.905 61.300 -0.155 0.000 1.193 1048 I CB 1.199 39.129 38.000 -0.116 0.000 1.345 1048 I HN 0.572 nan 8.210 nan 0.000 0.461 1049 T N 5.861 120.345 114.554 -0.116 0.000 2.771 1049 T HA 0.622 4.973 4.350 0.003 0.000 0.281 1049 T C 0.232 174.809 174.700 -0.205 0.000 0.982 1049 T CA -0.486 61.511 62.100 -0.171 0.000 0.978 1049 T CB 1.464 70.329 68.868 -0.005 0.000 0.930 1049 T HN 0.657 nan 8.240 nan 0.000 0.447 1050 A N 5.712 128.342 122.820 -0.315 0.000 2.802 1050 A HA 0.630 4.952 4.320 0.003 0.000 0.344 1050 A C -2.821 174.721 177.584 -0.070 0.000 1.215 1050 A CA -1.728 50.230 52.037 -0.133 0.000 0.821 1050 A CB 0.156 19.130 19.000 -0.042 0.000 1.099 1050 A HN 0.433 nan 8.150 nan 0.000 0.479 1051 P HA 0.118 nan 4.420 nan 0.000 0.276 1051 P C 0.860 178.088 177.300 -0.120 0.000 1.235 1051 P CA -0.243 62.811 63.100 -0.077 0.000 0.772 1051 P CB 1.077 32.734 31.700 -0.071 0.000 0.871 1052 K N 3.664 123.927 120.400 -0.228 0.000 2.089 1052 K HA -0.219 4.103 4.320 0.003 0.000 0.210 1052 K C 1.098 177.422 176.600 -0.460 0.000 1.048 1052 K CA 1.722 57.562 56.287 -0.744 0.000 0.926 1052 K CB -0.045 31.936 32.500 -0.865 0.000 0.714 1052 K HN 0.301 nan 8.250 nan 0.000 0.448 1053 K N -0.038 120.208 120.400 -0.257 0.000 2.525 1053 K HA -0.033 4.289 4.320 0.003 0.000 0.192 1053 K C 1.050 177.573 176.600 -0.128 0.000 1.029 1053 K CA 0.671 56.853 56.287 -0.175 0.000 1.029 1053 K CB 0.262 32.693 32.500 -0.115 0.000 0.814 1053 K HN 0.136 nan 8.250 nan 0.000 0.503 1054 K N 0.603 120.929 120.400 -0.123 0.000 2.402 1054 K HA 0.081 4.403 4.320 0.003 0.000 0.204 1054 K C -0.018 176.542 176.600 -0.066 0.000 1.056 1054 K CA 0.010 56.251 56.287 -0.077 0.000 1.069 1054 K CB 1.245 33.713 32.500 -0.054 0.000 0.888 1054 K HN -0.037 nan 8.250 nan 0.000 0.546 1055 V N -1.857 118.005 119.914 -0.087 0.000 3.040 1055 V HA 0.383 4.504 4.120 0.003 0.000 0.312 1055 V C -0.882 175.182 176.094 -0.050 0.000 1.115 1055 V CA -1.362 60.911 62.300 -0.044 0.000 0.998 1055 V CB 1.953 33.780 31.823 0.007 0.000 1.042 1055 V HN -0.019 nan 8.190 nan 0.000 0.433 1056 D N 2.925 123.316 120.400 -0.015 0.000 2.493 1056 D HA 0.216 4.858 4.640 0.003 0.000 0.240 1056 D C -1.623 174.688 176.300 0.018 0.000 1.142 1056 D CA -1.164 52.832 54.000 -0.007 0.000 0.872 1056 D CB 1.618 42.421 40.800 0.005 0.000 1.173 1056 D HN 0.405 nan 8.370 nan 0.000 0.467 1057 P HA -0.154 nan 4.420 nan 0.000 0.216 1057 P C 0.919 178.279 177.300 0.098 0.000 1.150 1057 P CA 1.021 64.145 63.100 0.040 0.000 0.843 1057 P CB 0.248 31.950 31.700 0.003 0.000 0.787 1058 E N -0.773 119.461 120.200 0.057 0.000 2.150 1058 E HA -0.123 4.229 4.350 0.003 0.000 0.193 1058 E C 1.996 178.629 176.600 0.054 0.000 0.985 1058 E CA 0.739 57.169 56.400 0.049 0.000 0.814 1058 E CB -0.852 28.864 29.700 0.026 0.000 0.752 1058 E HN 0.306 nan 8.360 nan 0.000 0.466 1059 L N -0.225 121.037 121.223 0.064 0.000 2.109 1059 L HA -0.103 4.238 4.340 0.003 0.000 0.207 1059 L C 2.309 179.230 176.870 0.086 0.000 1.086 1059 L CA 0.763 55.636 54.840 0.056 0.000 0.760 1059 L CB -0.162 41.925 42.059 0.048 0.000 0.910 1059 L HN -0.002 nan 8.230 nan 0.000 0.437 1060 F N 1.225 121.147 119.950 -0.046 0.000 2.171 1060 F HA -0.247 4.282 4.527 0.002 0.000 0.300 1060 F C 2.485 178.260 175.800 -0.042 0.000 1.090 1060 F CA 2.047 60.014 58.000 -0.055 0.000 1.293 1060 F CB -0.118 38.850 39.000 -0.054 0.000 1.013 1060 F HN 0.108 nan 8.300 nan 0.000 0.486 1061 K N -0.546 119.891 120.400 0.062 0.000 2.305 1061 K HA -0.055 4.266 4.320 0.003 0.000 0.199 1061 K C 1.935 178.504 176.600 -0.052 0.000 1.047 1061 K CA 1.106 57.379 56.287 -0.024 0.000 0.976 1061 K CB -0.635 31.885 32.500 0.032 0.000 0.765 1061 K HN 0.349 nan 8.250 nan 0.000 0.474 1062 L N 2.153 123.358 121.223 -0.030 0.000 2.027 1062 L HA -0.016 4.325 4.340 0.003 0.000 0.206 1062 L C 2.062 178.899 176.870 -0.055 0.000 1.074 1062 L CA 1.315 56.135 54.840 -0.033 0.000 0.745 1062 L CB -0.357 41.693 42.059 -0.016 0.000 0.898 1062 L HN 0.195 nan 8.230 nan 0.000 0.433 1063 I N 0.995 121.517 120.570 -0.081 0.000 2.091 1063 I HA -0.295 3.876 4.170 0.003 0.000 0.240 1063 I C -0.335 175.734 176.117 -0.080 0.000 1.046 1063 I CA 2.168 63.414 61.300 -0.090 0.000 1.306 1063 I CB -1.787 36.129 38.000 -0.139 0.000 1.018 1063 I HN 0.315 nan 8.210 nan 0.000 0.404 1064 P HA -0.163 nan 4.420 nan 0.000 0.228 1064 P C 0.941 178.213 177.300 -0.046 0.000 1.151 1064 P CA 1.490 64.542 63.100 -0.079 0.000 0.770 1064 P CB -0.129 31.504 31.700 -0.111 0.000 0.786 1065 K N -0.745 119.630 120.400 -0.042 0.000 2.400 1065 K HA 0.133 4.455 4.320 0.003 0.000 0.194 1065 K C 1.043 177.633 176.600 -0.015 0.000 1.033 1065 K CA -0.036 56.236 56.287 -0.026 0.000 1.021 1065 K CB -0.079 32.406 32.500 -0.025 0.000 0.808 1065 K HN 0.224 nan 8.250 nan 0.000 0.505 1066 L N 2.144 123.359 121.223 -0.012 0.000 2.439 1066 L HA 0.109 4.451 4.340 0.003 0.000 0.269 1066 L C 0.509 177.388 176.870 0.015 0.000 1.179 1066 L CA -0.160 54.682 54.840 0.003 0.000 0.828 1066 L CB 0.286 42.351 42.059 0.010 0.000 1.106 1066 L HN 0.022 nan 8.230 nan 0.000 0.467 1067 R N 1.074 121.588 120.500 0.024 0.000 2.803 1067 R HA 0.388 4.730 4.340 0.003 0.000 0.276 1067 R C -0.641 175.692 176.300 0.054 0.000 0.978 1067 R CA -0.932 55.185 56.100 0.029 0.000 0.939 1067 R CB 1.855 32.169 30.300 0.023 0.000 1.179 1067 R HN 0.539 nan 8.270 nan 0.000 0.472 1068 S N 2.710 118.436 115.700 0.044 0.000 2.573 1068 S HA -0.050 4.422 4.470 0.003 0.000 0.297 1068 S C 0.395 175.074 174.600 0.131 0.000 1.280 1068 S CA 0.424 58.664 58.200 0.066 0.000 1.061 1068 S CB 0.129 63.332 63.200 0.004 0.000 0.812 1068 S HN 0.520 nan 8.310 nan 0.000 0.500 1069 E N -0.533 119.802 120.200 0.225 0.000 3.799 1069 E HA -0.180 4.171 4.350 0.003 0.000 0.320 1069 E C -0.540 176.243 176.600 0.305 0.000 0.760 1069 E CA 0.891 57.508 56.400 0.362 0.000 1.153 1069 E CB -1.545 28.337 29.700 0.303 0.000 1.589 1069 E HN 0.694 nan 8.360 nan 0.000 0.448 1070 D N 0.301 120.792 120.400 0.152 0.000 2.443 1070 D HA 0.170 4.811 4.640 0.003 0.000 0.239 1070 D C 0.288 176.544 176.300 -0.073 0.000 1.136 1070 D CA 0.070 54.093 54.000 0.039 0.000 0.879 1070 D CB 0.901 41.709 40.800 0.013 0.000 1.195 1070 D HN -0.185 nan 8.370 nan 0.000 0.443 1071 V N 2.882 122.657 119.914 -0.231 0.000 2.432 1071 V HA 0.352 4.474 4.120 0.003 0.000 0.275 1071 V C 0.480 176.390 176.094 -0.307 0.000 1.043 1071 V CA -0.416 61.601 62.300 -0.472 0.000 0.925 1071 V CB 1.175 32.628 31.823 -0.617 0.000 0.985 1071 V HN 0.391 nan 8.190 nan 0.000 0.466 1072 V N 2.311 122.067 119.914 -0.263 0.000 3.130 1072 V HA 1.069 5.191 4.120 0.003 0.000 0.310 1072 V C -0.363 175.633 176.094 -0.162 0.000 1.158 1072 V CA -0.916 61.278 62.300 -0.177 0.000 1.029 1072 V CB 2.053 33.827 31.823 -0.081 0.000 1.057 1072 V HN 1.056 nan 8.190 nan 0.000 0.436 1073 A N 1.671 124.419 122.820 -0.119 0.000 2.393 1073 A HA 0.923 5.245 4.320 0.003 0.000 0.306 1073 A C -1.064 176.523 177.584 0.004 0.000 1.050 1073 A CA -0.671 51.340 52.037 -0.043 0.000 0.724 1073 A CB 1.940 20.936 19.000 -0.006 0.000 1.248 1073 A HN 1.485 nan 8.150 nan 0.000 0.424 1074 V N 1.693 121.623 119.914 0.028 0.000 2.588 1074 V HA 0.510 4.632 4.120 0.003 0.000 0.304 1074 V C -0.279 175.839 176.094 0.040 0.000 1.042 1074 V CA -0.508 61.809 62.300 0.029 0.000 0.877 1074 V CB 1.795 33.632 31.823 0.023 0.000 0.996 1074 V HN 0.988 nan 8.190 nan 0.000 0.425 1075 E N 2.478 122.698 120.200 0.034 0.000 2.158 1075 E HA 0.748 5.100 4.350 0.003 0.000 0.271 1075 E C -0.185 176.429 176.600 0.023 0.000 0.911 1075 E CA -0.228 56.191 56.400 0.032 0.000 0.767 1075 E CB 1.913 31.631 29.700 0.030 0.000 1.120 1075 E HN 0.927 nan 8.360 nan 0.000 0.405 1076 G N 1.541 110.354 108.800 0.021 0.000 2.548 1076 G HA2 0.366 4.327 3.960 0.003 0.000 0.301 1076 G HA3 0.366 4.327 3.960 0.003 0.000 0.301 1076 G C -1.437 173.469 174.900 0.011 0.000 1.349 1076 G CA -0.593 44.516 45.100 0.015 0.000 0.792 1076 G HN 0.399 nan 8.290 nan 0.000 0.481 1077 V N 0.428 120.349 119.914 0.012 0.000 2.427 1077 V HA 0.437 4.559 4.120 0.003 0.000 0.286 1077 V C 0.453 176.560 176.094 0.022 0.000 1.034 1077 V CA -0.646 61.661 62.300 0.012 0.000 0.893 1077 V CB 1.449 33.281 31.823 0.016 0.000 0.982 1077 V HN 0.559 nan 8.190 nan 0.000 0.452 1078 V N 5.078 124.998 119.914 0.010 0.000 2.572 1078 V HA 0.157 4.278 4.120 0.003 0.000 0.291 1078 V C 0.455 176.598 176.094 0.083 0.000 1.039 1078 V CA 0.047 62.356 62.300 0.015 0.000 1.055 1078 V CB 0.746 32.538 31.823 -0.053 0.000 0.969 1078 V HN 0.969 nan 8.190 nan 0.000 0.482 1079 N N 4.147 122.904 118.700 0.095 0.000 2.540 1079 N HA 0.370 5.112 4.740 0.003 0.000 0.275 1079 N C -1.305 174.280 175.510 0.124 0.000 1.053 1079 N CA -0.577 52.551 53.050 0.129 0.000 0.876 1079 N CB 0.798 39.338 38.487 0.088 0.000 1.284 1079 N HN 0.425 nan 8.380 nan 0.000 0.518 1080 F N 1.878 121.901 119.950 0.122 0.000 2.456 1080 F HA 0.281 4.810 4.527 0.003 0.000 0.358 1080 F C 1.152 177.017 175.800 0.108 0.000 1.095 1080 F CA 0.392 58.483 58.000 0.151 0.000 1.216 1080 F CB 1.634 40.698 39.000 0.106 0.000 1.125 1080 F HN 0.217 nan 8.300 nan 0.000 0.549 1081 T N 4.629 119.290 114.554 0.178 0.000 2.932 1081 T HA 0.350 4.702 4.350 0.003 0.000 0.318 1081 T C -2.295 172.465 174.700 0.100 0.000 1.265 1081 T CA -1.579 60.599 62.100 0.130 0.000 1.036 1081 T CB 1.850 70.773 68.868 0.092 0.000 1.209 1081 T HN 0.193 nan 8.240 nan 0.000 0.484 1082 P HA 0.084 nan 4.420 nan 0.000 0.219 1082 P C 1.067 178.395 177.300 0.047 0.000 1.150 1082 P CA 0.830 63.971 63.100 0.068 0.000 0.814 1082 P CB 0.149 31.885 31.700 0.061 0.000 0.787 1083 K N -0.375 120.055 120.400 0.051 0.000 2.360 1083 K HA 0.012 4.333 4.320 0.003 0.000 0.201 1083 K C 0.866 177.482 176.600 0.026 0.000 1.046 1083 K CA 0.522 56.836 56.287 0.044 0.000 0.940 1083 K CB -0.362 32.178 32.500 0.067 0.000 0.748 1083 K HN 0.111 nan 8.250 nan 0.000 0.465 1084 A N 1.592 124.420 122.820 0.013 0.000 2.276 1084 A HA 0.123 4.444 4.320 0.003 0.000 0.300 1084 A C 0.895 178.454 177.584 -0.041 0.000 1.235 1084 A CA -0.452 51.567 52.037 -0.030 0.000 0.867 1084 A CB 0.810 19.753 19.000 -0.095 0.000 1.137 1084 A HN 0.114 nan 8.150 nan 0.000 0.527 1085 K N 2.163 122.546 120.400 -0.028 0.000 2.089 1085 K HA -0.137 4.185 4.320 0.003 0.000 0.210 1085 K C 0.777 177.344 176.600 -0.054 0.000 1.048 1085 K CA 1.772 58.041 56.287 -0.030 0.000 0.926 1085 K CB -0.247 32.242 32.500 -0.019 0.000 0.714 1085 K HN 0.780 nan 8.250 nan 0.000 0.448 1086 L N -0.696 120.455 121.223 -0.120 0.000 2.629 1086 L HA 0.172 4.514 4.340 0.003 0.000 0.230 1086 L C 1.158 177.946 176.870 -0.136 0.000 1.151 1086 L CA 0.363 55.112 54.840 -0.151 0.000 0.924 1086 L CB 0.389 42.299 42.059 -0.249 0.000 1.137 1086 L HN 0.631 nan 8.230 nan 0.000 0.457 1087 G N 0.960 109.705 108.800 -0.091 0.000 2.234 1087 G HA2 -0.308 3.654 3.960 0.003 0.000 0.235 1087 G HA3 -0.308 3.654 3.960 0.003 0.000 0.235 1087 G C 0.095 174.941 174.900 -0.091 0.000 0.997 1087 G CA 0.176 45.296 45.100 0.034 0.000 0.623 1087 G HN 0.355 nan 8.290 nan 0.000 0.514 1088 F N 0.183 119.911 119.950 -0.369 0.000 2.693 1088 F HA 0.810 5.339 4.527 0.003 0.000 0.309 1088 F C -0.814 174.817 175.800 -0.282 0.000 1.129 1088 F CA -0.835 56.815 58.000 -0.583 0.000 0.948 1088 F CB 0.858 39.028 39.000 -1.384 0.000 1.315 1088 F HN 0.413 nan 8.300 nan 0.000 0.447 1089 E N 2.118 122.303 120.200 -0.026 0.000 2.410 1089 E HA 0.653 5.005 4.350 0.003 0.000 0.269 1089 E C -1.763 174.916 176.600 0.132 0.000 0.937 1089 E CA -1.106 55.278 56.400 -0.027 0.000 0.793 1089 E CB 2.871 32.561 29.700 -0.016 0.000 1.314 1089 E HN 0.540 nan 8.360 nan 0.000 0.447 1090 I N 1.967 122.582 120.570 0.075 0.000 2.378 1090 I HA 0.270 4.442 4.170 0.003 0.000 0.291 1090 I C -0.247 175.881 176.117 0.019 0.000 0.992 1090 I CA -0.888 60.455 61.300 0.071 0.000 1.154 1090 I CB 1.198 39.242 38.000 0.074 0.000 1.315 1090 I HN 0.545 nan 8.210 nan 0.000 0.448 1091 L N 8.205 129.438 121.223 0.018 0.000 2.261 1091 L HA 0.333 4.675 4.340 0.003 0.000 0.289 1091 L C -2.034 174.835 176.870 -0.001 0.000 1.059 1091 L CA -1.606 53.233 54.840 -0.001 0.000 0.816 1091 L CB 0.721 42.783 42.059 0.004 0.000 1.191 1091 L HN 0.287 nan 8.230 nan 0.000 0.431 1092 P HA 0.107 nan 4.420 nan 0.000 0.275 1092 P C -0.447 176.853 177.300 0.001 0.000 1.227 1092 P CA -0.154 62.944 63.100 -0.003 0.000 0.781 1092 P CB 1.595 33.289 31.700 -0.010 0.000 0.906 1093 E N 1.419 121.622 120.200 0.005 0.000 2.399 1093 E HA 0.114 4.466 4.350 0.003 0.000 0.205 1093 E C 0.507 177.112 176.600 0.009 0.000 0.906 1093 E CA 0.200 56.604 56.400 0.005 0.000 0.998 1093 E CB 0.718 30.422 29.700 0.006 0.000 1.002 1093 E HN 0.414 nan 8.360 nan 0.000 0.501 1094 K N 1.108 121.515 120.400 0.012 0.000 2.543 1094 K HA 0.447 4.769 4.320 0.003 0.000 0.255 1094 K C -1.870 174.739 176.600 0.014 0.000 0.934 1094 K CA -0.395 55.901 56.287 0.015 0.000 0.810 1094 K CB 1.723 34.236 32.500 0.020 0.000 1.315 1094 K HN -0.103 nan 8.250 nan 0.000 0.433 1095 I N 3.836 124.411 120.570 0.008 0.000 2.478 1095 I HA 0.314 4.486 4.170 0.003 0.000 0.287 1095 I C -0.961 175.151 176.117 -0.007 0.000 1.042 1095 I CA -1.126 60.174 61.300 -0.001 0.000 1.067 1095 I CB 2.101 40.096 38.000 -0.008 0.000 1.233 1095 I HN 0.213 nan 8.210 nan 0.000 0.431 1096 V N 6.925 126.828 119.914 -0.018 0.000 2.448 1096 V HA 0.343 4.464 4.120 0.003 0.000 0.295 1096 V C -0.018 176.023 176.094 -0.088 0.000 1.025 1096 V CA -0.760 61.517 62.300 -0.038 0.000 0.859 1096 V CB 2.265 34.076 31.823 -0.019 0.000 0.988 1096 V HN 0.373 nan 8.190 nan 0.000 0.431 1097 V N 6.784 126.648 119.914 -0.084 0.000 2.389 1097 V HA 0.228 4.350 4.120 0.003 0.000 0.264 1097 V C 0.972 176.977 176.094 -0.150 0.000 1.049 1097 V CA 0.072 62.309 62.300 -0.105 0.000 0.932 1097 V CB 1.063 32.845 31.823 -0.068 0.000 1.011 1097 V HN 0.754 nan 8.190 nan 0.000 0.475 1098 L N 3.421 124.510 121.223 -0.223 0.000 2.202 1098 L HA 0.237 4.579 4.340 0.003 0.000 0.205 1098 L C 0.806 177.559 176.870 -0.196 0.000 1.083 1098 L CA 0.798 55.470 54.840 -0.279 0.000 0.790 1098 L CB 0.068 41.863 42.059 -0.441 0.000 0.942 1098 L HN 0.741 nan 8.230 nan 0.000 0.452 1099 N N -0.707 117.890 118.700 -0.172 0.000 2.554 1099 N HA 0.238 4.980 4.740 0.003 0.000 0.271 1099 N C -1.179 174.282 175.510 -0.080 0.000 1.081 1099 N CA -0.495 52.485 53.050 -0.116 0.000 0.994 1099 N CB 1.348 39.760 38.487 -0.125 0.000 1.641 1099 N HN -0.104 nan 8.380 nan 0.000 0.511 1100 R N 1.592 122.068 120.500 -0.041 0.000 2.349 1100 R HA 0.738 5.079 4.340 0.003 0.000 0.299 1100 R C -0.338 175.974 176.300 0.021 0.000 1.027 1100 R CA -0.743 55.351 56.100 -0.011 0.000 0.958 1100 R CB 1.280 31.574 30.300 -0.009 0.000 1.047 1100 R HN 0.531 nan 8.270 nan 0.000 0.468 1101 A N 2.686 125.537 122.820 0.052 0.000 2.316 1101 A HA 0.228 4.550 4.320 0.003 0.000 0.284 1101 A C -0.127 177.496 177.584 0.066 0.000 1.115 1101 A CA -0.512 51.577 52.037 0.087 0.000 0.812 1101 A CB 0.520 19.603 19.000 0.138 0.000 1.064 1101 A HN 0.748 nan 8.150 nan 0.000 0.489 1102 E N -0.305 119.937 120.200 0.070 0.000 2.322 1102 E HA 0.519 4.870 4.350 0.003 0.000 0.257 1102 E C -0.312 176.323 176.600 0.059 0.000 1.155 1102 E CA -0.252 56.181 56.400 0.054 0.000 0.936 1102 E CB 1.140 30.871 29.700 0.052 0.000 1.130 1102 E HN 0.603 nan 8.360 nan 0.000 0.465 1103 T N 0.825 115.405 114.554 0.044 0.000 2.916 1103 T HA 0.379 4.731 4.350 0.003 0.000 0.305 1103 T C -2.489 172.229 174.700 0.031 0.000 1.119 1103 T CA -1.454 60.668 62.100 0.037 0.000 1.008 1103 T CB 1.143 70.027 68.868 0.026 0.000 1.129 1103 T HN 0.362 nan 8.240 nan 0.000 0.480 1104 P HA 0.441 nan 4.420 nan 0.000 0.274 1104 P C -0.647 176.677 177.300 0.039 0.000 1.237 1104 P CA -0.603 62.512 63.100 0.025 0.000 0.793 1104 P CB 0.727 32.437 31.700 0.016 0.000 0.977 1105 L N 1.877 123.121 121.223 0.036 0.000 2.418 1105 L HA 0.168 4.510 4.340 0.003 0.000 0.265 1105 L C -1.006 175.880 176.870 0.027 0.000 1.143 1105 L CA -1.543 53.326 54.840 0.048 0.000 0.809 1105 L CB 0.161 42.244 42.059 0.040 0.000 1.124 1105 L HN 0.312 nan 8.230 nan 0.000 0.456 1106 P HA -0.006 nan 4.420 nan 0.000 0.218 1106 P C -0.412 176.862 177.300 -0.044 0.000 1.149 1106 P CA 1.138 64.234 63.100 -0.005 0.000 0.817 1106 P CB 0.278 31.967 31.700 -0.018 0.000 0.785 1107 L N -1.984 119.199 121.223 -0.067 0.000 2.415 1107 L HA 0.398 4.739 4.340 0.003 0.000 0.256 1107 L C -0.665 176.176 176.870 -0.047 0.000 1.010 1107 L CA -1.147 53.651 54.840 -0.071 0.000 0.826 1107 L CB 2.045 44.033 42.059 -0.119 0.000 1.405 1107 L HN -0.340 nan 8.230 nan 0.000 0.410 1108 D N 2.901 123.280 120.400 -0.035 0.000 2.411 1108 D HA 0.191 4.833 4.640 0.003 0.000 0.225 1108 D C -1.537 174.761 176.300 -0.003 0.000 1.156 1108 D CA -1.981 52.007 54.000 -0.021 0.000 0.874 1108 D CB 1.222 42.009 40.800 -0.021 0.000 1.034 1108 D HN 0.195 nan 8.370 nan 0.000 0.502 1109 P HA -0.113 nan 4.420 nan 0.000 0.231 1109 P C 0.905 178.320 177.300 0.192 0.000 1.158 1109 P CA 0.778 63.926 63.100 0.079 0.000 0.763 1109 P CB 0.022 31.784 31.700 0.103 0.000 0.805 1110 T N -5.356 109.268 114.554 0.117 0.000 3.067 1110 T HA 0.273 4.625 4.350 0.003 0.000 0.257 1110 T C 1.690 176.463 174.700 0.122 0.000 1.105 1110 T CA 0.869 63.069 62.100 0.167 0.000 1.104 1110 T CB -0.750 68.092 68.868 -0.043 0.000 0.925 1110 T HN 0.204 nan 8.240 nan 0.000 0.498 1111 G N 1.597 110.431 108.800 0.057 0.000 2.205 1111 G HA2 -0.327 3.634 3.960 0.003 0.000 0.261 1111 G HA3 -0.327 3.634 3.960 0.003 0.000 0.261 1111 G C 0.929 175.834 174.900 0.009 0.000 0.980 1111 G CA 0.582 45.699 45.100 0.027 0.000 0.632 1111 G HN 0.566 nan 8.290 nan 0.000 0.533 1112 K N -0.369 120.033 120.400 0.002 0.000 2.002 1112 K HA 0.146 4.468 4.320 0.003 0.000 0.209 1112 K C 1.101 177.692 176.600 -0.015 0.000 1.048 1112 K CA 1.436 57.716 56.287 -0.012 0.000 0.930 1112 K CB 0.030 32.515 32.500 -0.025 0.000 0.714 1112 K HN 0.300 nan 8.250 nan 0.000 0.438 1113 V N 3.388 123.291 119.914 -0.017 0.000 2.368 1113 V HA 0.084 4.206 4.120 0.003 0.000 0.266 1113 V C -0.088 175.996 176.094 -0.017 0.000 1.045 1113 V CA -0.459 61.831 62.300 -0.018 0.000 0.899 1113 V CB 0.887 32.699 31.823 -0.020 0.000 1.006 1113 V HN 0.184 nan 8.190 nan 0.000 0.470 1114 K N 3.337 123.728 120.400 -0.016 0.000 2.202 1114 K HA 0.701 5.023 4.320 0.003 0.000 0.264 1114 K C 0.013 176.602 176.600 -0.019 0.000 1.010 1114 K CA -0.121 56.156 56.287 -0.017 0.000 0.940 1114 K CB 1.154 33.645 32.500 -0.015 0.000 0.983 1114 K HN 0.781 nan 8.250 nan 0.000 0.475 1115 A N 2.039 124.846 122.820 -0.023 0.000 2.380 1115 A HA 0.348 4.670 4.320 0.003 0.000 0.315 1115 A C -0.739 176.832 177.584 -0.021 0.000 1.101 1115 A CA -0.854 51.169 52.037 -0.024 0.000 0.771 1115 A CB 0.929 19.908 19.000 -0.034 0.000 1.287 1115 A HN 0.586 nan 8.150 nan 0.000 0.436 1116 E N 0.478 120.669 120.200 -0.016 0.000 2.392 1116 E HA 0.089 4.441 4.350 0.003 0.000 0.259 1116 E C 1.064 177.656 176.600 -0.013 0.000 1.108 1116 E CA -0.437 55.957 56.400 -0.011 0.000 0.916 1116 E CB 0.814 30.511 29.700 -0.004 0.000 0.989 1116 E HN 0.627 nan 8.360 nan 0.000 0.432 1117 L N 2.426 123.644 121.223 -0.009 0.000 2.013 1117 L HA -0.229 4.112 4.340 0.003 0.000 0.212 1117 L C 1.357 178.223 176.870 -0.006 0.000 1.073 1117 L CA 2.013 56.847 54.840 -0.009 0.000 0.753 1117 L CB -0.422 41.636 42.059 -0.001 0.000 0.890 1117 L HN 0.432 nan 8.230 nan 0.000 0.432 1118 D N -1.174 119.229 120.400 0.004 0.000 2.149 1118 D HA -0.163 4.478 4.640 0.003 0.000 0.198 1118 D C 1.999 178.302 176.300 0.004 0.000 0.990 1118 D CA 1.894 55.901 54.000 0.012 0.000 0.839 1118 D CB -0.160 40.653 40.800 0.022 0.000 0.948 1118 D HN 0.431 nan 8.370 nan 0.000 0.460 1119 T N 0.902 115.452 114.554 -0.006 0.000 2.821 1119 T HA -0.088 4.263 4.350 0.003 0.000 0.267 1119 T C 2.029 176.703 174.700 -0.043 0.000 1.046 1119 T CA 0.783 62.874 62.100 -0.016 0.000 1.139 1119 T CB 0.028 68.884 68.868 -0.020 0.000 0.871 1119 T HN 0.158 nan 8.240 nan 0.000 0.454 1120 R N 0.563 121.031 120.500 -0.052 0.000 2.075 1120 R HA 0.090 4.432 4.340 0.003 0.000 0.232 1120 R C 2.443 178.684 176.300 -0.098 0.000 1.126 1120 R CA 0.974 57.023 56.100 -0.086 0.000 0.963 1120 R CB -0.520 29.738 30.300 -0.069 0.000 0.858 1120 R HN 0.351 nan 8.270 nan 0.000 0.435 1121 L N 0.814 122.001 121.223 -0.060 0.000 2.093 1121 L HA -0.155 4.187 4.340 0.003 0.000 0.208 1121 L C 1.541 178.405 176.870 -0.010 0.000 1.085 1121 L CA 0.935 55.740 54.840 -0.058 0.000 0.755 1121 L CB -0.462 41.591 42.059 -0.009 0.000 0.904 1121 L HN 0.196 nan 8.230 nan 0.000 0.435 1122 N N 0.221 118.930 118.700 0.015 0.000 2.512 1122 N HA -0.086 4.656 4.740 0.003 0.000 0.183 1122 N C 0.363 175.913 175.510 0.067 0.000 1.073 1122 N CA 0.753 53.843 53.050 0.067 0.000 0.911 1122 N CB -0.098 38.424 38.487 0.058 0.000 0.964 1122 N HN 0.389 nan 8.380 nan 0.000 0.447 1123 N N 0.377 119.040 118.700 -0.061 0.000 2.610 1123 N HA 0.151 4.893 4.740 0.003 0.000 0.307 1123 N C 0.524 175.770 175.510 -0.440 0.000 1.813 1123 N CA -0.253 52.632 53.050 -0.275 0.000 0.901 1123 N CB 0.912 39.184 38.487 -0.357 0.000 1.354 1123 N HN -0.063 nan 8.380 nan 0.000 0.491 1124 R N 0.468 120.844 120.500 -0.207 0.000 2.139 1124 R HA -0.116 4.225 4.340 0.003 0.000 0.243 1124 R C 1.721 177.878 176.300 -0.239 0.000 1.145 1124 R CA 1.202 57.141 56.100 -0.268 0.000 0.976 1124 R CB -0.649 29.393 30.300 -0.430 0.000 0.866 1124 R HN 0.427 nan 8.270 nan 0.000 0.449 1125 F N -1.133 118.786 119.950 -0.052 0.000 2.216 1125 F HA -0.087 4.441 4.527 0.002 0.000 0.300 1125 F C 1.984 177.730 175.800 -0.091 0.000 1.085 1125 F CA 0.790 58.758 58.000 -0.052 0.000 1.326 1125 F CB -0.556 38.454 39.000 0.017 0.000 1.027 1125 F HN -0.192 nan 8.300 nan 0.000 0.497 1126 M N 0.666 119.755 119.600 -0.852 0.000 2.248 1126 M HA -0.058 4.424 4.480 0.003 0.000 0.265 1126 M C 1.736 177.853 176.300 -0.304 0.000 1.079 1126 M CA 1.286 56.285 55.300 -0.502 0.000 1.150 1126 M CB -1.124 31.139 32.600 -0.563 0.000 1.366 1126 M HN 0.219 nan 8.290 nan 0.000 0.433 1127 D N 0.799 121.014 120.400 -0.308 0.000 2.133 1127 D HA -0.152 4.490 4.640 0.003 0.000 0.195 1127 D C 1.773 177.989 176.300 -0.141 0.000 0.997 1127 D CA 1.186 55.071 54.000 -0.191 0.000 0.840 1127 D CB 0.037 40.730 40.800 -0.178 0.000 0.947 1127 D HN 0.140 nan 8.370 nan 0.000 0.452 1128 L N 0.268 121.395 121.223 -0.160 0.000 2.549 1128 L HA 0.057 4.399 4.340 0.003 0.000 0.229 1128 L C 2.131 178.919 176.870 -0.136 0.000 1.158 1128 L CA 0.819 55.589 54.840 -0.117 0.000 0.842 1128 L CB -0.226 41.751 42.059 -0.138 0.000 0.952 1128 L HN 0.004 nan 8.230 nan 0.000 0.452 1129 R N -0.665 119.729 120.500 -0.177 0.000 2.280 1129 R HA 0.027 4.369 4.340 0.003 0.000 0.207 1129 R C 0.451 176.677 176.300 -0.122 0.000 1.043 1129 R CA 0.234 56.213 56.100 -0.202 0.000 1.006 1129 R CB -0.116 30.045 30.300 -0.231 0.000 0.885 1129 R HN 0.288 nan 8.270 nan 0.000 0.467 1130 R N 0.928 121.375 120.500 -0.088 0.000 2.265 1130 R HA 0.099 4.441 4.340 0.003 0.000 0.314 1130 R C -1.881 174.376 176.300 -0.071 0.000 1.053 1130 R CA -1.804 54.259 56.100 -0.061 0.000 0.931 1130 R CB 0.744 31.021 30.300 -0.038 0.000 1.024 1130 R HN -0.128 nan 8.270 nan 0.000 0.457 1131 P HA -0.282 nan 4.420 nan 0.000 0.216 1131 P C 0.755 178.017 177.300 -0.062 0.000 1.154 1131 P CA 1.488 64.536 63.100 -0.088 0.000 0.865 1131 P CB 0.185 31.818 31.700 -0.111 0.000 0.789 1132 E N -0.957 119.210 120.200 -0.055 0.000 2.268 1132 E HA -0.088 4.264 4.350 0.003 0.000 0.195 1132 E C 1.521 178.089 176.600 -0.052 0.000 0.995 1132 E CA 0.986 57.353 56.400 -0.055 0.000 0.836 1132 E CB -0.806 28.864 29.700 -0.051 0.000 0.763 1132 E HN 0.091 nan 8.360 nan 0.000 0.491 1133 V N 0.984 120.883 119.914 -0.025 0.000 2.426 1133 V HA -0.156 3.966 4.120 0.003 0.000 0.242 1133 V C 2.341 178.495 176.094 0.100 0.000 1.036 1133 V CA 1.459 63.778 62.300 0.031 0.000 1.044 1133 V CB -0.272 31.578 31.823 0.046 0.000 0.688 1133 V HN 0.246 nan 8.190 nan 0.000 0.462 1134 M N 1.617 121.248 119.600 0.051 0.000 2.149 1134 M HA -0.117 4.365 4.480 0.003 0.000 0.261 1134 M C 1.985 178.306 176.300 0.036 0.000 1.064 1134 M CA 2.180 57.519 55.300 0.065 0.000 1.102 1134 M CB -0.730 31.863 32.600 -0.013 0.000 1.369 1134 M HN 0.254 nan 8.290 nan 0.000 0.408 1135 A N 0.187 122.993 122.820 -0.023 0.000 1.908 1135 A HA -0.144 4.177 4.320 0.003 0.000 0.218 1135 A C 2.200 179.721 177.584 -0.104 0.000 1.181 1135 A CA 2.085 54.088 52.037 -0.057 0.000 0.627 1135 A CB -1.114 17.845 19.000 -0.069 0.000 0.818 1135 A HN 0.632 nan 8.150 nan 0.000 0.445 1136 I N -1.918 118.544 120.570 -0.180 0.000 2.226 1136 I HA -0.232 3.940 4.170 0.003 0.000 0.245 1136 I C 2.095 177.914 176.117 -0.498 0.000 1.100 1136 I CA 1.323 62.395 61.300 -0.380 0.000 1.374 1136 I CB -0.352 37.314 38.000 -0.557 0.000 1.057 1136 I HN 0.301 nan 8.210 nan 0.000 0.413 1137 F N 0.995 120.905 119.950 -0.066 0.000 2.367 1137 F HA -0.063 4.466 4.527 0.003 0.000 0.298 1137 F C 2.382 178.157 175.800 -0.041 0.000 1.094 1137 F CA 0.985 58.947 58.000 -0.064 0.000 1.409 1137 F CB -0.448 38.501 39.000 -0.085 0.000 1.064 1137 F HN -0.125 nan 8.300 nan 0.000 0.528 1138 K N 0.356 120.795 120.400 0.064 0.000 2.057 1138 K HA -0.091 4.230 4.320 0.003 0.000 0.206 1138 K C 2.044 178.676 176.600 0.054 0.000 1.050 1138 K CA 1.302 57.622 56.287 0.056 0.000 0.935 1138 K CB -0.285 32.232 32.500 0.029 0.000 0.715 1138 K HN 0.249 nan 8.250 nan 0.000 0.439 1139 I N 0.710 121.279 120.570 -0.001 0.000 2.315 1139 I HA -0.267 3.905 4.170 0.003 0.000 0.248 1139 I C 2.652 178.795 176.117 0.045 0.000 1.117 1139 I CA 0.944 62.253 61.300 0.015 0.000 1.404 1139 I CB -0.212 37.759 38.000 -0.049 0.000 1.071 1139 I HN 0.173 nan 8.210 nan 0.000 0.419 1140 R N 0.599 121.092 120.500 -0.012 0.000 2.083 1140 R HA -0.220 4.121 4.340 0.003 0.000 0.237 1140 R C 2.487 178.895 176.300 0.181 0.000 1.137 1140 R CA 2.096 58.239 56.100 0.071 0.000 0.951 1140 R CB -0.322 29.967 30.300 -0.019 0.000 0.851 1140 R HN 0.190 nan 8.270 nan 0.000 0.434 1141 S N -0.407 115.350 115.700 0.095 0.000 2.382 1141 S HA -0.100 4.372 4.470 0.003 0.000 0.228 1141 S C 1.882 176.592 174.600 0.183 0.000 1.027 1141 S CA 1.695 59.947 58.200 0.088 0.000 0.991 1141 S CB -0.171 63.058 63.200 0.048 0.000 0.823 1141 S HN 0.495 nan 8.310 nan 0.000 0.469 1142 S N 0.660 116.486 115.700 0.211 0.000 2.368 1142 S HA -0.051 4.420 4.470 0.003 0.000 0.225 1142 S C 1.881 176.638 174.600 0.262 0.000 1.030 1142 S CA 1.268 59.663 58.200 0.326 0.000 0.999 1142 S CB -0.479 62.961 63.200 0.399 0.000 0.844 1142 S HN 0.418 nan 8.310 nan 0.000 0.459 1143 V N 1.136 121.188 119.914 0.231 0.000 2.295 1143 V HA -0.172 3.950 4.120 0.003 0.000 0.246 1143 V C 1.947 178.113 176.094 0.119 0.000 1.049 1143 V CA 1.704 64.094 62.300 0.150 0.000 1.024 1143 V CB -0.794 31.099 31.823 0.117 0.000 0.648 1143 V HN 0.383 nan 8.190 nan 0.000 0.447 1144 F N 0.654 120.629 119.950 0.043 0.000 2.126 1144 F HA -0.184 4.344 4.527 0.002 0.000 0.299 1144 F C 2.438 178.266 175.800 0.047 0.000 1.096 1144 F CA 2.222 60.261 58.000 0.065 0.000 1.255 1144 F CB -0.498 38.528 39.000 0.044 0.000 0.997 1144 F HN 0.079 nan 8.300 nan 0.000 0.479 1145 K N 0.401 120.905 120.400 0.173 0.000 2.026 1145 K HA -0.149 4.172 4.320 0.003 0.000 0.208 1145 K C 2.261 178.793 176.600 -0.115 0.000 1.048 1145 K CA 1.316 57.613 56.287 0.017 0.000 0.929 1145 K CB -0.361 32.099 32.500 -0.067 0.000 0.713 1145 K HN 0.159 nan 8.250 nan 0.000 0.439 1146 A N 0.815 123.481 122.820 -0.257 0.000 1.908 1146 A HA -0.119 4.203 4.320 0.003 0.000 0.218 1146 A C 2.277 179.879 177.584 0.030 0.000 1.181 1146 A CA 1.760 53.661 52.037 -0.227 0.000 0.627 1146 A CB -0.750 18.090 19.000 -0.265 0.000 0.818 1146 A HN 0.194 nan 8.150 nan 0.000 0.445 1147 V N 0.053 119.962 119.914 -0.010 0.000 2.295 1147 V HA -0.283 3.838 4.120 0.003 0.000 0.246 1147 V C 2.679 178.787 176.094 0.023 0.000 1.049 1147 V CA 2.334 64.608 62.300 -0.044 0.000 1.024 1147 V CB -0.783 31.027 31.823 -0.023 0.000 0.648 1147 V HN 0.545 nan 8.190 nan 0.000 0.447 1148 R N -0.204 120.364 120.500 0.113 0.000 2.096 1148 R HA -0.149 4.192 4.340 0.003 0.000 0.235 1148 R C 2.044 178.403 176.300 0.100 0.000 1.127 1148 R CA 1.620 57.797 56.100 0.130 0.000 0.968 1148 R CB -0.480 29.970 30.300 0.249 0.000 0.861 1148 R HN 0.528 nan 8.270 nan 0.000 0.440 1149 D N 0.329 120.766 120.400 0.061 0.000 2.117 1149 D HA -0.172 4.469 4.640 0.003 0.000 0.197 1149 D C 1.560 177.848 176.300 -0.020 0.000 0.987 1149 D CA 1.013 55.044 54.000 0.051 0.000 0.829 1149 D CB -0.265 40.548 40.800 0.022 0.000 0.961 1149 D HN 0.077 nan 8.370 nan 0.000 0.460 1150 F N 0.527 120.288 119.950 -0.315 0.000 2.102 1150 F HA -0.184 4.345 4.527 0.003 0.000 0.298 1150 F C 2.027 177.666 175.800 -0.269 0.000 1.105 1150 F CA 1.105 58.804 58.000 -0.503 0.000 1.239 1150 F CB -0.336 38.233 39.000 -0.719 0.000 0.991 1150 F HN -0.186 nan 8.300 nan 0.000 0.474 1151 F N -0.090 119.793 119.950 -0.111 0.000 2.095 1151 F HA -0.260 4.269 4.527 0.003 0.000 0.298 1151 F C 2.889 178.707 175.800 0.030 0.000 1.104 1151 F CA 2.151 60.044 58.000 -0.179 0.000 1.232 1151 F CB -1.419 37.159 39.000 -0.703 0.000 0.987 1151 F HN 0.164 nan 8.300 nan 0.000 0.475 1152 H N 0.393 119.553 119.070 0.149 0.000 2.352 1152 H HA -0.148 4.409 4.556 0.002 0.000 0.299 1152 H C 1.868 177.238 175.328 0.071 0.000 1.097 1152 H CA 1.938 58.080 56.048 0.157 0.000 1.311 1152 H CB -0.034 29.803 29.762 0.125 0.000 1.377 1152 H HN 0.367 nan 8.280 nan 0.000 0.504 1153 E N 0.034 120.173 120.200 -0.101 0.000 2.265 1153 E HA -0.134 4.218 4.350 0.003 0.000 0.196 1153 E C 0.868 177.344 176.600 -0.206 0.000 0.996 1153 E CA 0.884 57.159 56.400 -0.209 0.000 0.832 1153 E CB 0.015 29.558 29.700 -0.263 0.000 0.756 1153 E HN 0.528 nan 8.360 nan 0.000 0.491 1154 N N -0.845 117.784 118.700 -0.117 0.000 2.279 1154 N HA 0.131 4.873 4.740 0.003 0.000 0.226 1154 N C 0.234 175.872 175.510 0.214 0.000 1.126 1154 N CA 0.424 53.516 53.050 0.069 0.000 0.846 1154 N CB 1.467 40.070 38.487 0.192 0.000 1.050 1154 N HN 0.166 nan 8.380 nan 0.000 0.502 1155 G N -0.137 108.705 108.800 0.069 0.000 2.148 1155 G HA2 -0.290 3.672 3.960 0.003 0.000 0.254 1155 G HA3 -0.290 3.672 3.960 0.003 0.000 0.254 1155 G C -0.187 174.708 174.900 -0.008 0.000 0.981 1155 G CA -0.271 44.816 45.100 -0.021 0.000 0.670 1155 G HN 0.229 nan 8.290 nan 0.000 0.528 1156 F N 0.151 120.156 119.950 0.092 0.000 2.384 1156 F HA 0.673 5.201 4.527 0.002 0.000 0.338 1156 F C 1.102 177.039 175.800 0.229 0.000 1.103 1156 F CA -0.836 57.267 58.000 0.172 0.000 1.157 1156 F CB 0.919 40.103 39.000 0.307 0.000 1.167 1156 F HN -0.029 nan 8.300 nan 0.000 0.529 1157 I N 1.855 122.589 120.570 0.273 0.000 2.412 1157 I HA 0.201 4.373 4.170 0.003 0.000 0.296 1157 I C -0.042 176.087 176.117 0.019 0.000 0.987 1157 I CA -0.752 60.649 61.300 0.168 0.000 1.180 1157 I CB 1.603 39.630 38.000 0.045 0.000 1.340 1157 I HN 0.564 nan 8.210 nan 0.000 0.455 1158 E N 7.039 127.157 120.200 -0.137 0.000 2.316 1158 E HA 0.400 4.751 4.350 0.003 0.000 0.275 1158 E C -0.927 175.379 176.600 -0.491 0.000 1.029 1158 E CA -0.364 55.618 56.400 -0.696 0.000 0.871 1158 E CB 0.977 30.320 29.700 -0.595 0.000 1.022 1158 E HN 0.533 nan 8.360 nan 0.000 0.418 1159 I N 0.763 120.940 120.570 -0.654 0.000 3.108 1159 I HA 0.571 4.743 4.170 0.003 0.000 0.312 1159 I C -1.241 174.362 176.117 -0.857 0.000 1.095 1159 I CA -1.140 59.859 61.300 -0.500 0.000 1.000 1159 I CB 2.022 39.876 38.000 -0.244 0.000 1.229 1159 I HN 0.483 nan 8.210 nan 0.000 0.454 1160 H N 0.585 119.595 119.070 -0.099 0.000 2.840 1160 H HA 0.546 5.103 4.556 0.002 0.000 0.340 1160 H C -0.725 174.551 175.328 -0.087 0.000 1.004 1160 H CA -0.531 55.467 56.048 -0.083 0.000 1.288 1160 H CB 1.900 31.628 29.762 -0.058 0.000 1.607 1160 H HN 0.832 nan 8.280 nan 0.000 0.522 1161 T N 0.450 114.975 114.554 -0.049 0.000 2.942 1161 T HA 0.525 4.877 4.350 0.003 0.000 0.289 1161 T C -2.681 171.892 174.700 -0.212 0.000 1.044 1161 T CA -2.444 59.561 62.100 -0.159 0.000 1.023 1161 T CB 1.887 70.654 68.868 -0.167 0.000 1.123 1161 T HN 0.295 nan 8.240 nan 0.000 0.512 1162 P HA 0.256 nan 4.420 nan 0.000 0.268 1162 P C -0.137 177.051 177.300 -0.186 0.000 1.204 1162 P CA -0.426 62.506 63.100 -0.280 0.000 0.768 1162 P CB 0.866 32.360 31.700 -0.344 0.000 0.842 1163 K N 1.980 122.337 120.400 -0.071 0.000 2.352 1163 K HA 0.279 4.600 4.320 0.003 0.000 0.194 1163 K C 0.843 177.436 176.600 -0.013 0.000 1.038 1163 K CA 0.135 56.436 56.287 0.022 0.000 1.023 1163 K CB 0.285 32.854 32.500 0.115 0.000 0.840 1163 K HN 0.507 nan 8.250 nan 0.000 0.519 1164 I N 3.406 123.934 120.570 -0.069 0.000 2.307 1164 I HA 0.287 4.459 4.170 0.003 0.000 0.289 1164 I C 0.098 176.148 176.117 -0.111 0.000 1.021 1164 I CA -0.694 60.549 61.300 -0.095 0.000 1.224 1164 I CB 0.590 38.508 38.000 -0.137 0.000 1.376 1164 I HN -0.042 nan 8.210 nan 0.000 0.470 1165 I N 2.606 123.164 120.570 -0.021 0.000 3.074 1165 I HA 0.854 5.025 4.170 0.003 0.000 0.310 1165 I C -0.214 175.954 176.117 0.085 0.000 1.153 1165 I CA -0.817 60.492 61.300 0.015 0.000 0.993 1165 I CB 2.503 40.575 38.000 0.119 0.000 1.237 1165 I HN 0.435 nan 8.210 nan 0.000 0.443 1166 A N 1.871 124.714 122.820 0.038 0.000 2.568 1166 A HA 0.467 4.789 4.320 0.003 0.000 0.287 1166 A C 0.286 177.882 177.584 0.020 0.000 0.967 1166 A CA 0.097 52.195 52.037 0.101 0.000 1.004 1166 A CB -0.516 18.480 19.000 -0.008 0.000 1.233 1166 A HN 0.843 nan 8.150 nan 0.000 0.513 1167 T N -2.450 112.076 114.554 -0.048 0.000 2.948 1167 T HA 0.770 5.121 4.350 0.003 0.000 0.285 1167 T C 0.539 175.161 174.700 -0.129 0.000 1.019 1167 T CA -0.059 61.938 62.100 -0.171 0.000 1.013 1167 T CB 1.514 70.115 68.868 -0.445 0.000 1.117 1167 T HN 0.959 nan 8.240 nan 0.000 0.533 1168 A N 1.220 123.901 122.820 -0.231 0.000 2.386 1168 A HA 0.598 4.919 4.320 0.003 0.000 0.246 1168 A C 0.835 178.355 177.584 -0.106 0.000 1.089 1168 A CA -0.063 51.757 52.037 -0.362 0.000 0.790 1168 A CB -0.510 17.930 19.000 -0.935 0.000 1.042 1168 A HN 1.428 nan 8.150 nan 0.000 0.497 1169 T N -2.428 112.141 114.554 0.024 0.000 2.896 1169 T HA 0.456 4.808 4.350 0.003 0.000 0.297 1169 T C 0.557 175.493 174.700 0.393 0.000 1.108 1169 T CA 0.018 62.264 62.100 0.244 0.000 1.004 1169 T CB 1.585 70.490 68.868 0.061 0.000 1.159 1169 T HN 0.710 nan 8.240 nan 0.000 0.499 1170 E N 1.164 121.607 120.200 0.406 0.000 2.047 1170 E HA -0.035 4.316 4.350 0.003 0.000 0.191 1170 E C 1.956 178.663 176.600 0.178 0.000 0.987 1170 E CA 1.636 58.253 56.400 0.362 0.000 0.799 1170 E CB -0.775 29.063 29.700 0.230 0.000 0.752 1170 E HN 0.875 nan 8.360 nan 0.000 0.449 1171 G N -0.452 108.406 108.800 0.096 0.000 2.492 1171 G HA2 0.032 3.994 3.960 0.003 0.000 0.214 1171 G HA3 0.032 3.994 3.960 0.003 0.000 0.214 1171 G C 1.138 176.047 174.900 0.014 0.000 1.147 1171 G CA 0.372 45.497 45.100 0.040 0.000 0.809 1171 G HN 0.526 nan 8.290 nan 0.000 0.533 1172 G N 0.030 108.824 108.800 -0.010 0.000 2.249 1172 G HA2 -0.094 3.867 3.960 0.003 0.000 0.273 1172 G HA3 -0.094 3.867 3.960 0.003 0.000 0.273 1172 G C 0.357 175.220 174.900 -0.061 0.000 1.036 1172 G CA 1.344 46.407 45.100 -0.062 0.000 0.824 1172 G HN 1.513 nan 8.290 nan 0.000 0.504 1173 T N -4.423 110.099 114.554 -0.054 0.000 2.883 1173 T HA 0.644 4.995 4.350 0.003 0.000 0.296 1173 T C 0.161 174.819 174.700 -0.071 0.000 1.117 1173 T CA 0.307 62.375 62.100 -0.053 0.000 1.006 1173 T CB 1.991 70.838 68.868 -0.036 0.000 1.191 1173 T HN 0.735 nan 8.240 nan 0.000 0.508 1174 E N -0.518 119.625 120.200 -0.095 0.000 2.791 1174 E HA -0.143 4.209 4.350 0.003 0.000 0.271 1174 E C -0.487 175.993 176.600 -0.200 0.000 1.044 1174 E CA 0.578 56.886 56.400 -0.154 0.000 0.814 1174 E CB -2.103 27.531 29.700 -0.110 0.000 1.400 1174 E HN 0.658 nan 8.360 nan 0.000 0.423 1175 L N -0.224 120.917 121.223 -0.138 0.000 2.375 1175 L HA 0.420 4.762 4.340 0.003 0.000 0.271 1175 L C 0.329 177.167 176.870 -0.054 0.000 1.107 1175 L CA -0.437 54.379 54.840 -0.042 0.000 0.806 1175 L CB 0.404 42.465 42.059 0.004 0.000 1.146 1175 L HN -0.082 nan 8.230 nan 0.000 0.447 1176 F N 2.725 122.798 119.950 0.206 0.000 2.293 1176 F HA 0.385 4.914 4.527 0.002 0.000 0.370 1176 F C -1.988 173.910 175.800 0.162 0.000 1.090 1176 F CA -2.339 55.749 58.000 0.147 0.000 1.133 1176 F CB 0.584 39.635 39.000 0.085 0.000 1.360 1176 F HN 0.186 nan 8.300 nan 0.000 0.489 1177 P HA 0.373 nan 4.420 nan 0.000 0.274 1177 P C -0.748 176.513 177.300 -0.066 0.000 1.231 1177 P CA -0.334 62.763 63.100 -0.006 0.000 0.790 1177 P CB 0.826 32.524 31.700 -0.003 0.000 0.951 1178 M N -0.776 118.697 119.600 -0.212 0.000 2.465 1178 M HA 0.486 4.967 4.480 0.003 0.000 0.284 1178 M C -0.966 175.240 176.300 -0.156 0.000 1.212 1178 M CA -1.026 54.192 55.300 -0.138 0.000 0.910 1178 M CB 2.551 35.088 32.600 -0.105 0.000 1.725 1178 M HN -0.031 nan 8.290 nan 0.000 0.477 1179 K N 1.738 122.067 120.400 -0.119 0.000 2.270 1179 K HA 0.246 4.568 4.320 0.003 0.000 0.276 1179 K C -1.990 174.570 176.600 -0.066 0.000 1.023 1179 K CA -0.277 55.950 56.287 -0.100 0.000 0.955 1179 K CB 0.777 33.209 32.500 -0.114 0.000 0.975 1179 K HN 0.828 nan 8.250 nan 0.000 0.471 1180 Y N 6.878 127.093 120.300 -0.141 0.000 2.805 1180 Y HA 0.173 4.724 4.550 0.003 0.000 0.339 1180 Y C -0.434 175.486 175.900 0.035 0.000 1.012 1180 Y CA -0.567 57.473 58.100 -0.100 0.000 1.262 1180 Y CB -0.298 38.167 38.460 0.010 0.000 1.100 1180 Y HN 0.928 nan 8.280 nan 0.000 0.559 1181 F N 0.797 120.585 119.950 -0.270 0.000 2.360 1181 F HA -0.465 4.063 4.527 0.002 0.000 0.355 1181 F C 1.483 177.229 175.800 -0.091 0.000 1.410 1181 F CA 1.918 59.795 58.000 -0.205 0.000 1.895 1181 F CB -0.792 38.048 39.000 -0.267 0.000 0.892 1181 F HN 0.341 nan 8.300 nan 0.000 0.204 1182 E N 0.340 120.644 120.200 0.173 0.000 2.474 1182 E HA 0.161 4.512 4.350 0.003 0.000 0.194 1182 E C 0.107 176.751 176.600 0.075 0.000 1.041 1182 E CA 0.458 56.909 56.400 0.084 0.000 0.874 1182 E CB 0.104 29.845 29.700 0.068 0.000 0.914 1182 E HN 0.312 nan 8.360 nan 0.000 0.498 1183 E N 0.628 120.904 120.200 0.127 0.000 2.250 1183 E HA 0.183 4.534 4.350 0.003 0.000 0.265 1183 E C -0.789 175.843 176.600 0.053 0.000 1.033 1183 E CA -0.477 55.987 56.400 0.107 0.000 0.888 1183 E CB 0.782 30.589 29.700 0.179 0.000 1.151 1183 E HN -0.120 nan 8.360 nan 0.000 0.412 1184 D N 0.650 121.040 120.400 -0.017 0.000 2.192 1184 D HA 0.585 5.227 4.640 0.003 0.000 0.246 1184 D C -0.810 175.351 176.300 -0.231 0.000 1.042 1184 D CA -0.291 53.623 54.000 -0.144 0.000 0.847 1184 D CB 1.788 42.488 40.800 -0.167 0.000 1.186 1184 D HN 0.419 nan 8.370 nan 0.000 0.461 1185 A N 1.440 124.021 122.820 -0.397 0.000 2.504 1185 A HA 0.876 5.197 4.320 0.003 0.000 0.285 1185 A C -1.596 175.526 177.584 -0.769 0.000 1.261 1185 A CA -0.622 51.184 52.037 -0.384 0.000 0.741 1185 A CB 1.303 20.204 19.000 -0.165 0.000 1.327 1185 A HN 0.424 nan 8.150 nan 0.000 0.441 1186 F N -1.510 118.438 119.950 -0.003 0.000 2.662 1186 F HA 0.592 5.120 4.527 0.002 0.000 0.312 1186 F C -0.729 175.084 175.800 0.023 0.000 1.113 1186 F CA -0.776 57.244 58.000 0.033 0.000 0.951 1186 F CB 1.279 40.309 39.000 0.050 0.000 1.344 1186 F HN 0.302 nan 8.300 nan 0.000 0.462 1187 L N 1.987 123.364 121.223 0.257 0.000 2.371 1187 L HA 0.645 4.987 4.340 0.003 0.000 0.272 1187 L C 0.368 177.405 176.870 0.278 0.000 1.124 1187 L CA -0.591 54.328 54.840 0.131 0.000 0.816 1187 L CB 0.731 42.767 42.059 -0.038 0.000 1.129 1187 L HN 0.754 nan 8.230 nan 0.000 0.448 1188 A N 3.196 126.173 122.820 0.263 0.000 2.462 1188 A HA 0.240 4.561 4.320 0.003 0.000 0.243 1188 A C 0.836 178.588 177.584 0.281 0.000 1.076 1188 A CA -0.075 52.110 52.037 0.247 0.000 0.773 1188 A CB 0.003 19.108 19.000 0.175 0.000 1.010 1188 A HN 0.869 nan 8.150 nan 0.000 0.493 1189 E N 0.241 120.556 120.200 0.192 0.000 2.476 1189 E HA 0.215 4.567 4.350 0.003 0.000 0.199 1189 E C -0.083 176.571 176.600 0.091 0.000 1.021 1189 E CA 0.625 57.114 56.400 0.148 0.000 0.907 1189 E CB 0.452 30.221 29.700 0.115 0.000 0.974 1189 E HN 0.580 nan 8.360 nan 0.000 0.489 1190 S N 0.342 116.098 115.700 0.093 0.000 2.678 1190 S HA 0.113 4.584 4.470 0.003 0.000 0.290 1190 S C -2.649 172.007 174.600 0.093 0.000 1.047 1190 S CA -0.955 57.283 58.200 0.064 0.000 0.851 1190 S CB 1.287 64.518 63.200 0.051 0.000 1.058 1190 S HN -0.127 nan 8.310 nan 0.000 0.451 1191 P HA 0.128 nan 4.420 nan 0.000 0.257 1191 P C 1.083 178.461 177.300 0.130 0.000 1.325 1191 P CA 0.101 63.280 63.100 0.131 0.000 0.850 1191 P CB 0.367 32.097 31.700 0.049 0.000 1.324 1192 Q N 1.462 121.277 119.800 0.026 0.000 2.065 1192 Q HA -0.214 4.128 4.340 0.003 0.000 0.213 1192 Q C 2.048 177.982 176.000 -0.110 0.000 1.012 1192 Q CA 2.157 57.893 55.803 -0.113 0.000 0.876 1192 Q CB -1.298 27.271 28.738 -0.282 0.000 0.954 1192 Q HN 0.255 nan 8.270 nan 0.000 0.413 1193 L N -1.262 119.898 121.223 -0.104 0.000 2.083 1193 L HA -0.182 4.159 4.340 0.003 0.000 0.209 1193 L C 2.296 179.150 176.870 -0.026 0.000 1.083 1193 L CA 1.388 56.150 54.840 -0.130 0.000 0.752 1193 L CB -0.627 41.281 42.059 -0.252 0.000 0.899 1193 L HN 0.315 nan 8.230 nan 0.000 0.433 1194 Y N 0.889 121.262 120.300 0.121 0.000 2.220 1194 Y HA -0.208 4.344 4.550 0.002 0.000 0.291 1194 Y C 2.711 178.622 175.900 0.018 0.000 1.129 1194 Y CA 1.365 59.528 58.100 0.105 0.000 1.161 1194 Y CB -0.370 38.151 38.460 0.100 0.000 0.997 1194 Y HN 0.200 nan 8.280 nan 0.000 0.522 1195 K N 0.378 120.851 120.400 0.121 0.000 2.148 1195 K HA -0.159 4.162 4.320 0.003 0.000 0.204 1195 K C 1.540 178.098 176.600 -0.069 0.000 1.050 1195 K CA 1.806 58.098 56.287 0.007 0.000 0.942 1195 K CB -0.344 32.142 32.500 -0.024 0.000 0.724 1195 K HN 0.354 nan 8.250 nan 0.000 0.446 1196 E N 1.159 121.333 120.200 -0.042 0.000 2.047 1196 E HA -0.104 4.248 4.350 0.003 0.000 0.191 1196 E C 2.113 178.519 176.600 -0.323 0.000 0.987 1196 E CA 1.108 57.421 56.400 -0.145 0.000 0.799 1196 E CB -0.185 29.624 29.700 0.182 0.000 0.752 1196 E HN 0.315 nan 8.360 nan 0.000 0.449 1197 I N 1.014 121.482 120.570 -0.170 0.000 2.194 1197 I HA -0.300 3.871 4.170 0.003 0.000 0.246 1197 I C 2.198 178.188 176.117 -0.213 0.000 1.093 1197 I CA 0.891 62.058 61.300 -0.221 0.000 1.355 1197 I CB -0.123 37.828 38.000 -0.082 0.000 1.046 1197 I HN 0.187 nan 8.210 nan 0.000 0.413 1198 M N -0.658 118.859 119.600 -0.138 0.000 2.549 1198 M HA -0.098 4.383 4.480 0.003 0.000 0.260 1198 M C 1.940 178.119 176.300 -0.202 0.000 1.076 1198 M CA 1.121 56.346 55.300 -0.125 0.000 1.090 1198 M CB -0.803 31.756 32.600 -0.068 0.000 1.418 1198 M HN 0.263 nan 8.290 nan 0.000 0.486 1199 M N -0.690 118.705 119.600 -0.341 0.000 2.557 1199 M HA 0.023 4.505 4.480 0.003 0.000 0.259 1199 M C 1.750 177.838 176.300 -0.353 0.000 1.086 1199 M CA 0.757 55.806 55.300 -0.418 0.000 1.096 1199 M CB -1.153 30.964 32.600 -0.806 0.000 1.424 1199 M HN 0.247 nan 8.290 nan 0.000 0.488 1200 A N -0.265 122.359 122.820 -0.328 0.000 2.275 1200 A HA 0.084 4.405 4.320 0.003 0.000 0.212 1200 A C 2.055 179.567 177.584 -0.120 0.000 1.201 1200 A CA 0.936 52.836 52.037 -0.229 0.000 0.843 1200 A CB -0.426 18.426 19.000 -0.247 0.000 0.873 1200 A HN 0.512 nan 8.150 nan 0.000 0.492 1201 S N -2.506 113.129 115.700 -0.108 0.000 2.503 1201 S HA 0.394 4.865 4.470 0.003 0.000 0.215 1201 S C 1.496 176.074 174.600 -0.036 0.000 1.003 1201 S CA 1.135 59.299 58.200 -0.061 0.000 0.910 1201 S CB 0.077 63.243 63.200 -0.056 0.000 0.790 1201 S HN 1.677 nan 8.310 nan 0.000 0.514 1202 G N 1.333 110.117 108.800 -0.027 0.000 2.232 1202 G HA2 -0.255 3.707 3.960 0.003 0.000 0.226 1202 G HA3 -0.255 3.707 3.960 0.003 0.000 0.226 1202 G C 0.716 175.603 174.900 -0.022 0.000 0.996 1202 G CA 0.225 45.327 45.100 0.002 0.000 0.626 1202 G HN 0.457 nan 8.290 nan 0.000 0.509 1203 L N -0.105 121.090 121.223 -0.046 0.000 2.081 1203 L HA -0.046 4.296 4.340 0.003 0.000 0.212 1203 L C 2.159 178.975 176.870 -0.089 0.000 1.080 1203 L CA 2.063 56.865 54.840 -0.064 0.000 0.754 1203 L CB -0.412 41.606 42.059 -0.068 0.000 0.893 1203 L HN 0.386 nan 8.230 nan 0.000 0.433 1204 D N -0.959 119.395 120.400 -0.077 0.000 3.624 1204 D HA -0.260 4.382 4.640 0.003 0.000 0.198 1204 D C 0.490 176.675 176.300 -0.191 0.000 1.553 1204 D CA 1.915 55.872 54.000 -0.072 0.000 2.254 1204 D CB -0.488 40.298 40.800 -0.022 0.000 1.308 1204 D HN 0.387 nan 8.370 nan 0.000 0.404 1205 R N 0.168 120.478 120.500 -0.317 0.000 2.467 1205 R HA 0.573 4.915 4.340 0.003 0.000 0.299 1205 R C -0.451 175.678 176.300 -0.284 0.000 1.120 1205 R CA -0.540 55.148 56.100 -0.686 0.000 0.940 1205 R CB 2.550 32.027 30.300 -1.372 0.000 1.161 1205 R HN 0.120 nan 8.270 nan 0.000 0.506 1206 V N -0.015 119.925 119.914 0.043 0.000 3.001 1206 V HA 0.810 4.932 4.120 0.003 0.000 0.314 1206 V C -1.116 175.077 176.094 0.165 0.000 1.099 1206 V CA -1.039 61.326 62.300 0.108 0.000 0.989 1206 V CB 1.735 33.526 31.823 -0.053 0.000 1.040 1206 V HN 0.703 nan 8.190 nan 0.000 0.434 1207 Y N -0.189 119.976 120.300 -0.226 0.000 2.597 1207 Y HA 0.891 5.442 4.550 0.003 0.000 0.340 1207 Y C -0.930 174.753 175.900 -0.362 0.000 1.097 1207 Y CA -0.993 56.790 58.100 -0.528 0.000 1.037 1207 Y CB 1.892 39.491 38.460 -1.435 0.000 1.305 1207 Y HN 0.983 nan 8.280 nan 0.000 0.463 1208 E N 2.846 122.858 120.200 -0.313 0.000 2.308 1208 E HA 0.621 4.972 4.350 0.003 0.000 0.275 1208 E C -2.069 174.524 176.600 -0.013 0.000 0.890 1208 E CA -0.817 55.400 56.400 -0.305 0.000 0.754 1208 E CB 2.017 31.578 29.700 -0.231 0.000 1.207 1208 E HN 0.803 nan 8.360 nan 0.000 0.426 1209 I N 3.458 124.085 120.570 0.096 0.000 2.439 1209 I HA 0.706 4.878 4.170 0.003 0.000 0.283 1209 I C -0.542 175.786 176.117 0.351 0.000 1.023 1209 I CA -0.430 61.066 61.300 0.327 0.000 1.100 1209 I CB 1.418 39.717 38.000 0.497 0.000 1.238 1209 I HN 0.622 nan 8.210 nan 0.000 0.445 1210 A N 8.294 131.186 122.820 0.120 0.000 2.586 1210 A HA 0.842 5.164 4.320 0.003 0.000 0.290 1210 A C -3.001 174.120 177.584 -0.772 0.000 1.086 1210 A CA -1.158 50.666 52.037 -0.354 0.000 0.665 1210 A CB 1.819 20.718 19.000 -0.169 0.000 1.279 1210 A HN 0.350 nan 8.150 nan 0.000 0.423 1211 P HA 0.537 nan 4.420 nan 0.000 0.274 1211 P C -0.783 176.039 177.300 -0.797 0.000 1.231 1211 P CA 0.148 62.533 63.100 -1.192 0.000 0.790 1211 P CB 0.600 31.581 31.700 -1.200 0.000 0.951 1212 I N -1.782 118.306 120.570 -0.804 0.000 2.689 1212 I HA 0.625 4.796 4.170 0.003 0.000 0.299 1212 I C -1.100 174.607 176.117 -0.683 0.000 1.059 1212 I CA -1.337 59.670 61.300 -0.487 0.000 1.055 1212 I CB 1.955 39.861 38.000 -0.156 0.000 1.243 1212 I HN 0.021 nan 8.210 nan 0.000 0.425 1213 F N 3.057 123.073 119.950 0.110 0.000 2.507 1213 F HA 0.668 5.197 4.527 0.003 0.000 0.328 1213 F C -0.072 175.943 175.800 0.359 0.000 1.136 1213 F CA -0.486 57.662 58.000 0.247 0.000 0.930 1213 F CB 1.927 41.052 39.000 0.208 0.000 1.166 1213 F HN 0.325 nan 8.300 nan 0.000 0.436 1214 R N 1.802 122.600 120.500 0.497 0.000 2.538 1214 R HA 0.648 4.990 4.340 0.003 0.000 0.292 1214 R C -0.782 175.529 176.300 0.018 0.000 1.008 1214 R CA -1.074 55.142 56.100 0.194 0.000 0.896 1214 R CB 2.126 32.495 30.300 0.115 0.000 1.187 1214 R HN 0.701 nan 8.270 nan 0.000 0.440 1215 A N 3.436 125.925 122.820 -0.551 0.000 3.037 1215 A HA 0.095 4.417 4.320 0.003 0.000 0.272 1215 A C 0.131 177.563 177.584 -0.253 0.000 1.723 1215 A CA -0.282 51.334 52.037 -0.701 0.000 1.413 1215 A CB -0.190 18.130 19.000 -1.132 0.000 1.112 1215 A HN 0.525 nan 8.150 nan 0.000 0.606 1216 E N 0.677 120.810 120.200 -0.111 0.000 2.442 1216 E HA -0.085 4.266 4.350 0.003 0.000 0.262 1216 E C 0.880 177.403 176.600 -0.128 0.000 1.004 1216 E CA 0.139 56.456 56.400 -0.138 0.000 0.928 1216 E CB 0.656 30.264 29.700 -0.153 0.000 0.937 1216 E HN 0.774 nan 8.360 nan 0.000 0.446 1217 E N 1.861 121.975 120.200 -0.144 0.000 2.077 1217 E HA -0.164 4.188 4.350 0.003 0.000 0.193 1217 E C 0.485 177.116 176.600 0.052 0.000 0.989 1217 E CA 1.193 57.578 56.400 -0.026 0.000 0.800 1217 E CB 0.223 29.958 29.700 0.058 0.000 0.746 1217 E HN 0.566 nan 8.360 nan 0.000 0.452 1218 H N -2.152 116.891 119.070 -0.046 0.000 3.008 1218 H HA 0.345 4.902 4.556 0.003 0.000 0.354 1218 H C -1.107 174.211 175.328 -0.016 0.000 1.252 1218 H CA -0.984 55.051 56.048 -0.020 0.000 1.117 1218 H CB 0.150 29.901 29.762 -0.018 0.000 1.857 1218 H HN -0.095 nan 8.280 nan 0.000 0.547 1219 N N 0.315 119.075 118.700 0.099 0.000 2.508 1219 N HA 0.293 5.034 4.740 0.003 0.000 0.264 1219 N C -0.097 175.475 175.510 0.103 0.000 1.216 1219 N CA 0.663 53.756 53.050 0.072 0.000 0.943 1219 N CB 1.019 39.563 38.487 0.095 0.000 1.113 1219 N HN 0.763 nan 8.380 nan 0.000 0.447 1220 T N -3.242 111.373 114.554 0.102 0.000 2.792 1220 T HA 0.197 4.549 4.350 0.003 0.000 0.303 1220 T C 0.761 175.536 174.700 0.126 0.000 1.310 1220 T CA -0.834 61.352 62.100 0.143 0.000 1.007 1220 T CB 1.207 70.210 68.868 0.226 0.000 1.335 1220 T HN 0.486 nan 8.240 nan 0.000 0.504 1221 T N -1.311 113.302 114.554 0.098 0.000 3.148 1221 T HA 0.173 4.524 4.350 0.003 0.000 0.253 1221 T C 1.138 175.860 174.700 0.037 0.000 1.134 1221 T CA 0.033 62.168 62.100 0.058 0.000 1.051 1221 T CB -0.356 68.533 68.868 0.034 0.000 0.959 1221 T HN 0.708 nan 8.240 nan 0.000 0.525 1222 R N -0.411 120.121 120.500 0.054 0.000 2.446 1222 R HA 0.293 4.634 4.340 0.003 0.000 0.254 1222 R C 0.137 176.313 176.300 -0.207 0.000 0.918 1222 R CA -0.226 55.829 56.100 -0.075 0.000 1.069 1222 R CB 0.454 30.674 30.300 -0.134 0.000 1.194 1222 R HN 0.494 nan 8.270 nan 0.000 0.534 1223 H N 0.301 119.382 119.070 0.018 0.000 2.679 1223 H HA 0.498 5.055 4.556 0.003 0.000 0.367 1223 H C -0.665 174.690 175.328 0.044 0.000 1.162 1223 H CA -0.723 55.338 56.048 0.022 0.000 1.181 1223 H CB 2.430 32.185 29.762 -0.011 0.000 1.693 1223 H HN -0.143 nan 8.280 nan 0.000 0.538 1224 L N 0.985 122.322 121.223 0.190 0.000 2.376 1224 L HA 0.264 4.606 4.340 0.003 0.000 0.258 1224 L C 0.708 177.689 176.870 0.186 0.000 1.013 1224 L CA -0.822 54.118 54.840 0.166 0.000 0.822 1224 L CB 1.841 43.990 42.059 0.149 0.000 1.388 1224 L HN 0.496 nan 8.230 nan 0.000 0.413 1225 N N 0.273 119.102 118.700 0.215 0.000 2.422 1225 N HA 0.000 4.742 4.740 0.003 0.000 0.181 1225 N C -0.281 175.420 175.510 0.317 0.000 1.080 1225 N CA 0.449 53.686 53.050 0.312 0.000 0.893 1225 N CB 0.495 39.242 38.487 0.432 0.000 0.973 1225 N HN 0.556 nan 8.380 nan 0.000 0.456 1226 E N 0.073 120.388 120.200 0.191 0.000 2.246 1226 E HA 0.643 4.994 4.350 0.003 0.000 0.266 1226 E C -1.602 175.025 176.600 0.045 0.000 0.880 1226 E CA -0.689 55.742 56.400 0.052 0.000 0.762 1226 E CB 1.694 31.474 29.700 0.134 0.000 1.180 1226 E HN 0.066 nan 8.360 nan 0.000 0.416 1227 A N 3.652 126.423 122.820 -0.082 0.000 2.583 1227 A HA 0.657 4.978 4.320 0.003 0.000 0.289 1227 A C -2.172 175.411 177.584 -0.001 0.000 1.151 1227 A CA -0.820 51.270 52.037 0.088 0.000 0.695 1227 A CB 0.889 19.944 19.000 0.091 0.000 1.290 1227 A HN 0.598 nan 8.150 nan 0.000 0.419 1228 W N 0.627 121.967 121.300 0.068 0.000 2.417 1228 W HA 0.658 5.319 4.660 0.002 0.000 0.315 1228 W C 0.472 177.049 176.519 0.098 0.000 1.045 1228 W CA 0.048 57.468 57.345 0.125 0.000 1.221 1228 W CB 2.133 31.793 29.460 0.333 0.000 1.309 1228 W HN 0.646 nan 8.180 nan 0.000 0.453 1229 S N 4.084 119.875 115.700 0.150 0.000 2.475 1229 S HA 0.655 5.127 4.470 0.003 0.000 0.298 1229 S C -0.720 173.981 174.600 0.168 0.000 1.119 1229 S CA -0.563 57.715 58.200 0.130 0.000 1.085 1229 S CB 0.356 63.587 63.200 0.052 0.000 1.028 1229 S HN 0.351 nan 8.310 nan 0.000 0.489 1230 I N 4.500 125.185 120.570 0.192 0.000 2.307 1230 I HA 0.330 4.502 4.170 0.003 0.000 0.287 1230 I C -0.224 176.051 176.117 0.262 0.000 1.054 1230 I CA -0.289 61.162 61.300 0.251 0.000 1.218 1230 I CB 0.825 38.995 38.000 0.285 0.000 1.398 1230 I HN 0.515 nan 8.210 nan 0.000 0.475 1231 D N 4.412 124.881 120.400 0.116 0.000 2.185 1231 D HA 0.456 5.098 4.640 0.003 0.000 0.247 1231 D C -0.702 175.477 176.300 -0.201 0.000 1.027 1231 D CA -0.072 53.906 54.000 -0.037 0.000 0.861 1231 D CB 2.483 43.259 40.800 -0.040 0.000 1.202 1231 D HN 0.342 nan 8.370 nan 0.000 0.453 1232 S N 1.129 116.546 115.700 -0.473 0.000 2.564 1232 S HA 0.488 4.960 4.470 0.003 0.000 0.274 1232 S C -1.459 172.967 174.600 -0.290 0.000 1.124 1232 S CA -0.607 57.343 58.200 -0.416 0.000 0.869 1232 S CB 2.066 64.961 63.200 -0.508 0.000 1.105 1232 S HN 0.414 nan 8.310 nan 0.000 0.472 1233 E N 1.997 122.164 120.200 -0.055 0.000 2.321 1233 E HA 0.615 4.967 4.350 0.003 0.000 0.278 1233 E C -1.242 175.402 176.600 0.074 0.000 0.902 1233 E CA -0.476 55.925 56.400 0.002 0.000 0.758 1233 E CB 1.553 31.235 29.700 -0.031 0.000 1.213 1233 E HN 0.748 nan 8.360 nan 0.000 0.426 1234 M N 2.066 121.718 119.600 0.086 0.000 2.386 1234 M HA 0.909 5.391 4.480 0.003 0.000 0.293 1234 M C -1.128 175.192 176.300 0.034 0.000 1.120 1234 M CA -1.078 54.240 55.300 0.031 0.000 0.909 1234 M CB 1.998 34.652 32.600 0.090 0.000 1.661 1234 M HN 0.454 nan 8.290 nan 0.000 0.452 1235 A N 1.947 124.764 122.820 -0.006 0.000 2.256 1235 A HA 0.898 5.220 4.320 0.003 0.000 0.318 1235 A C -0.254 177.394 177.584 0.106 0.000 1.103 1235 A CA -0.472 51.548 52.037 -0.029 0.000 0.860 1235 A CB 0.089 19.010 19.000 -0.131 0.000 1.182 1235 A HN 1.114 nan 8.150 nan 0.000 0.501 1236 F N -2.091 117.821 119.950 -0.062 0.000 3.018 1236 F HA -0.196 4.333 4.527 0.003 0.000 0.287 1236 F C 0.599 176.369 175.800 -0.051 0.000 0.813 1236 F CA 0.771 58.730 58.000 -0.067 0.000 1.209 1236 F CB -2.217 36.742 39.000 -0.067 0.000 1.321 1236 F HN 0.625 nan 8.300 nan 0.000 0.477 1237 I N -2.205 118.385 120.570 0.034 0.000 2.764 1237 I HA 0.337 4.509 4.170 0.003 0.000 0.294 1237 I C 1.198 177.316 176.117 0.001 0.000 1.045 1237 I CA -0.465 60.857 61.300 0.037 0.000 1.340 1237 I CB 0.990 39.015 38.000 0.041 0.000 1.436 1237 I HN 0.117 nan 8.210 nan 0.000 0.567 1238 E N 1.184 121.396 120.200 0.019 0.000 2.389 1238 E HA 0.073 4.425 4.350 0.003 0.000 0.199 1238 E C -0.894 175.706 176.600 0.001 0.000 0.978 1238 E CA 0.301 56.706 56.400 0.009 0.000 0.912 1238 E CB 0.356 30.072 29.700 0.025 0.000 0.907 1238 E HN 0.912 nan 8.360 nan 0.000 0.494 1239 D N -1.472 118.935 120.400 0.012 0.000 2.713 1239 D HA -0.079 4.563 4.640 0.003 0.000 0.306 1239 D C 0.449 176.776 176.300 0.046 0.000 1.299 1239 D CA -0.656 53.349 54.000 0.009 0.000 0.823 1239 D CB 0.192 41.003 40.800 0.017 0.000 1.353 1239 D HN -0.152 nan 8.370 nan 0.000 0.447 1240 E N -0.026 120.217 120.200 0.072 0.000 2.347 1240 E HA -0.157 4.195 4.350 0.003 0.000 0.196 1240 E C 0.728 177.360 176.600 0.054 0.000 1.008 1240 E CA 0.877 57.370 56.400 0.155 0.000 0.852 1240 E CB -0.138 29.735 29.700 0.288 0.000 0.783 1240 E HN 0.513 nan 8.360 nan 0.000 0.505 1241 E N 1.359 121.563 120.200 0.008 0.000 2.204 1241 E HA -0.142 4.210 4.350 0.003 0.000 0.195 1241 E C 1.766 178.309 176.600 -0.095 0.000 0.990 1241 E CA 0.779 57.112 56.400 -0.112 0.000 0.821 1241 E CB 0.038 29.702 29.700 -0.059 0.000 0.750 1241 E HN 0.551 nan 8.360 nan 0.000 0.477 1242 E N 0.127 120.328 120.200 0.002 0.000 2.150 1242 E HA -0.107 4.244 4.350 0.003 0.000 0.193 1242 E C 2.178 178.842 176.600 0.108 0.000 0.985 1242 E CA 0.845 57.277 56.400 0.053 0.000 0.814 1242 E CB 0.140 29.887 29.700 0.079 0.000 0.752 1242 E HN 0.068 nan 8.360 nan 0.000 0.466 1243 V N 1.240 121.225 119.914 0.118 0.000 2.379 1243 V HA -0.252 3.870 4.120 0.003 0.000 0.245 1243 V C 2.263 178.395 176.094 0.063 0.000 1.044 1243 V CA 1.589 64.036 62.300 0.245 0.000 1.036 1243 V CB -0.393 31.677 31.823 0.411 0.000 0.664 1243 V HN 0.273 nan 8.190 nan 0.000 0.453 1244 M N -0.037 119.337 119.600 -0.377 0.000 2.159 1244 M HA -0.167 4.315 4.480 0.003 0.000 0.263 1244 M C 2.492 178.578 176.300 -0.355 0.000 1.063 1244 M CA 2.073 56.897 55.300 -0.793 0.000 1.110 1244 M CB -0.577 31.161 32.600 -1.438 0.000 1.374 1244 M HN 0.389 nan 8.290 nan 0.000 0.411 1245 S N 0.256 115.826 115.700 -0.216 0.000 2.368 1245 S HA -0.164 4.307 4.470 0.003 0.000 0.225 1245 S C 1.775 176.359 174.600 -0.026 0.000 1.030 1245 S CA 1.195 59.324 58.200 -0.119 0.000 0.999 1245 S CB -0.342 62.827 63.200 -0.052 0.000 0.844 1245 S HN 0.472 nan 8.310 nan 0.000 0.459 1246 F N 1.869 121.809 119.950 -0.016 0.000 2.102 1246 F HA 0.013 4.541 4.527 0.002 0.000 0.298 1246 F C 2.056 177.824 175.800 -0.053 0.000 1.105 1246 F CA 1.560 59.605 58.000 0.076 0.000 1.239 1246 F CB -0.481 38.653 39.000 0.222 0.000 0.991 1246 F HN 0.211 nan 8.300 nan 0.000 0.474 1247 L N 0.582 121.814 121.223 0.015 0.000 2.012 1247 L HA -0.257 4.084 4.340 0.003 0.000 0.210 1247 L C 2.556 179.202 176.870 -0.374 0.000 1.073 1247 L CA 2.347 56.986 54.840 -0.335 0.000 0.748 1247 L CB -0.765 41.100 42.059 -0.322 0.000 0.891 1247 L HN 0.407 nan 8.230 nan 0.000 0.431 1248 E N -0.484 119.580 120.200 -0.227 0.000 2.110 1248 E HA -0.272 4.079 4.350 0.003 0.000 0.193 1248 E C 2.112 178.371 176.600 -0.569 0.000 0.988 1248 E CA 0.930 57.077 56.400 -0.421 0.000 0.804 1248 E CB -0.335 28.974 29.700 -0.652 0.000 0.745 1248 E HN 0.500 nan 8.360 nan 0.000 0.458 1249 R N 0.259 120.429 120.500 -0.551 0.000 2.092 1249 R HA -0.065 4.276 4.340 0.003 0.000 0.231 1249 R C 2.546 178.171 176.300 -1.126 0.000 1.119 1249 R CA 1.161 56.890 56.100 -0.618 0.000 0.970 1249 R CB -0.433 29.664 30.300 -0.338 0.000 0.864 1249 R HN 0.210 nan 8.270 nan 0.000 0.440 1250 L N 0.699 121.080 121.223 -1.403 0.000 2.017 1250 L HA -0.128 4.213 4.340 0.003 0.000 0.208 1250 L C 2.042 178.421 176.870 -0.818 0.000 1.073 1250 L CA 1.604 55.480 54.840 -1.606 0.000 0.745 1250 L CB -0.321 41.061 42.059 -1.128 0.000 0.894 1250 L HN -0.120 nan 8.230 nan 0.000 0.432 1251 V N 0.220 119.802 119.914 -0.553 0.000 2.358 1251 V HA -0.252 3.869 4.120 0.003 0.000 0.246 1251 V C 2.825 178.773 176.094 -0.243 0.000 1.047 1251 V CA 1.566 63.673 62.300 -0.322 0.000 1.035 1251 V CB -1.252 30.433 31.823 -0.230 0.000 0.658 1251 V HN 0.627 nan 8.190 nan 0.000 0.452 1252 A N -0.971 121.692 122.820 -0.261 0.000 1.902 1252 A HA -0.290 4.031 4.320 0.003 0.000 0.217 1252 A C 2.246 179.726 177.584 -0.174 0.000 1.181 1252 A CA 1.950 53.888 52.037 -0.165 0.000 0.623 1252 A CB -0.888 17.992 19.000 -0.200 0.000 0.818 1252 A HN 0.702 nan 8.150 nan 0.000 0.443 1253 H N 0.008 118.849 119.070 -0.382 0.000 2.353 1253 H HA -0.104 4.454 4.556 0.002 0.000 0.300 1253 H C 2.303 177.548 175.328 -0.138 0.000 1.090 1253 H CA 1.745 57.627 56.048 -0.277 0.000 1.327 1253 H CB -0.136 29.345 29.762 -0.468 0.000 1.383 1253 H HN 0.421 nan 8.280 nan 0.000 0.508 1254 A N 1.196 123.912 122.820 -0.173 0.000 1.877 1254 A HA -0.113 4.208 4.320 0.003 0.000 0.216 1254 A C 2.748 180.313 177.584 -0.031 0.000 1.186 1254 A CA 1.438 53.421 52.037 -0.090 0.000 0.620 1254 A CB -0.786 18.166 19.000 -0.081 0.000 0.822 1254 A HN 0.442 nan 8.150 nan 0.000 0.443 1255 I N -0.147 120.395 120.570 -0.045 0.000 2.179 1255 I HA -0.302 3.870 4.170 0.003 0.000 0.242 1255 I C 2.224 178.337 176.117 -0.005 0.000 1.088 1255 I CA 1.775 63.079 61.300 0.008 0.000 1.357 1255 I CB -0.545 37.463 38.000 0.014 0.000 1.051 1255 I HN 0.432 nan 8.210 nan 0.000 0.409 1256 N N -0.470 118.199 118.700 -0.052 0.000 2.244 1256 N HA -0.234 4.507 4.740 0.003 0.000 0.183 1256 N C 1.881 177.363 175.510 -0.047 0.000 1.016 1256 N CA 0.800 53.817 53.050 -0.054 0.000 0.866 1256 N CB -0.119 38.325 38.487 -0.071 0.000 0.980 1256 N HN 0.305 nan 8.380 nan 0.000 0.430 1257 Y N 1.429 121.600 120.300 -0.214 0.000 2.200 1257 Y HA -0.137 4.414 4.550 0.002 0.000 0.290 1257 Y C 2.068 177.948 175.900 -0.033 0.000 1.137 1257 Y CA 0.987 58.987 58.100 -0.166 0.000 1.163 1257 Y CB -0.399 37.915 38.460 -0.244 0.000 0.988 1257 Y HN -0.187 nan 8.280 nan 0.000 0.518 1258 V N 0.908 120.828 119.914 0.010 0.000 2.295 1258 V HA -0.325 3.796 4.120 0.003 0.000 0.246 1258 V C 2.379 178.438 176.094 -0.058 0.000 1.049 1258 V CA 2.338 64.625 62.300 -0.022 0.000 1.024 1258 V CB -0.616 31.235 31.823 0.048 0.000 0.648 1258 V HN 0.344 nan 8.190 nan 0.000 0.447 1259 R N -0.287 120.192 120.500 -0.034 0.000 2.105 1259 R HA -0.207 4.134 4.340 0.003 0.000 0.239 1259 R C 2.377 178.637 176.300 -0.066 0.000 1.135 1259 R CA 1.846 57.926 56.100 -0.033 0.000 0.967 1259 R CB -0.244 30.045 30.300 -0.019 0.000 0.861 1259 R HN 0.651 nan 8.270 nan 0.000 0.442 1260 E N -0.419 119.722 120.200 -0.098 0.000 2.060 1260 E HA -0.179 4.172 4.350 0.003 0.000 0.189 1260 E C 1.635 178.153 176.600 -0.137 0.000 0.974 1260 E CA 0.901 57.241 56.400 -0.100 0.000 0.808 1260 E CB 0.099 29.751 29.700 -0.080 0.000 0.768 1260 E HN 0.355 nan 8.360 nan 0.000 0.453 1261 H N -0.421 118.420 119.070 -0.381 0.000 2.525 1261 H HA 0.179 4.736 4.556 0.002 0.000 0.275 1261 H C 0.239 175.418 175.328 -0.249 0.000 0.984 1261 H CA 1.106 56.912 56.048 -0.404 0.000 1.264 1261 H CB 0.383 29.625 29.762 -0.867 0.000 1.432 1261 H HN 0.052 nan 8.280 nan 0.000 0.549 1262 N N -0.271 118.334 118.700 -0.159 0.000 2.401 1262 N HA 0.235 4.977 4.740 0.003 0.000 0.264 1262 N C 0.850 176.309 175.510 -0.085 0.000 1.238 1262 N CA 0.400 53.381 53.050 -0.116 0.000 0.889 1262 N CB 1.046 39.509 38.487 -0.040 0.000 1.196 1262 N HN 0.292 nan 8.380 nan 0.000 0.511 1263 A N 1.072 123.835 122.820 -0.095 0.000 1.908 1263 A HA -0.245 4.077 4.320 0.003 0.000 0.218 1263 A C 2.121 179.673 177.584 -0.054 0.000 1.181 1263 A CA 1.445 53.446 52.037 -0.061 0.000 0.627 1263 A CB -0.303 18.659 19.000 -0.064 0.000 0.818 1263 A HN 0.349 nan 8.150 nan 0.000 0.445 1264 K N -0.458 119.898 120.400 -0.073 0.000 2.032 1264 K HA -0.238 4.083 4.320 0.003 0.000 0.209 1264 K C 1.816 178.386 176.600 -0.051 0.000 1.048 1264 K CA 1.922 58.172 56.287 -0.061 0.000 0.927 1264 K CB -0.153 32.303 32.500 -0.074 0.000 0.712 1264 K HN 0.409 nan 8.250 nan 0.000 0.441 1265 E N 0.829 120.997 120.200 -0.054 0.000 2.106 1265 E HA -0.110 4.241 4.350 0.003 0.000 0.192 1265 E C 1.931 178.517 176.600 -0.024 0.000 0.984 1265 E CA 1.001 57.374 56.400 -0.045 0.000 0.806 1265 E CB -0.107 29.564 29.700 -0.048 0.000 0.750 1265 E HN 0.297 nan 8.360 nan 0.000 0.458 1266 L N 0.567 121.789 121.223 -0.003 0.000 2.083 1266 L HA -0.192 4.149 4.340 0.003 0.000 0.209 1266 L C 2.143 179.043 176.870 0.049 0.000 1.083 1266 L CA 1.477 56.349 54.840 0.054 0.000 0.752 1266 L CB -0.352 41.754 42.059 0.077 0.000 0.899 1266 L HN 0.144 nan 8.230 nan 0.000 0.433 1267 D N 0.558 120.963 120.400 0.008 0.000 2.117 1267 D HA -0.188 4.453 4.640 0.003 0.000 0.197 1267 D C 2.164 178.460 176.300 -0.006 0.000 0.987 1267 D CA 1.214 55.212 54.000 -0.003 0.000 0.829 1267 D CB 0.012 40.800 40.800 -0.020 0.000 0.961 1267 D HN 0.243 nan 8.370 nan 0.000 0.460 1268 I N 0.008 120.566 120.570 -0.019 0.000 2.361 1268 I HA -0.206 3.965 4.170 0.003 0.000 0.251 1268 I C 1.846 177.952 176.117 -0.019 0.000 1.133 1268 I CA 0.716 61.999 61.300 -0.030 0.000 1.413 1268 I CB -0.076 37.896 38.000 -0.046 0.000 1.073 1268 I HN 0.135 nan 8.210 nan 0.000 0.424 1269 L N 0.548 121.768 121.223 -0.004 0.000 2.599 1269 L HA 0.050 4.392 4.340 0.003 0.000 0.230 1269 L C 0.256 177.164 176.870 0.064 0.000 1.141 1269 L CA 0.071 54.913 54.840 0.004 0.000 0.877 1269 L CB -0.506 41.540 42.059 -0.022 0.000 1.009 1269 L HN 0.333 nan 8.230 nan 0.000 0.447 1270 N N 0.325 119.059 118.700 0.055 0.000 2.714 1270 N HA -0.263 4.479 4.740 0.003 0.000 0.252 1270 N C -0.607 174.977 175.510 0.123 0.000 1.014 1270 N CA 0.990 54.072 53.050 0.055 0.000 0.735 1270 N CB -1.239 37.267 38.487 0.032 0.000 0.924 1270 N HN 0.220 nan 8.380 nan 0.000 0.540 1271 F N 0.751 120.671 119.950 -0.050 0.000 2.540 1271 F HA 0.328 4.857 4.527 0.002 0.000 0.317 1271 F C -0.192 175.580 175.800 -0.046 0.000 1.104 1271 F CA -0.928 57.041 58.000 -0.051 0.000 0.913 1271 F CB 1.321 40.285 39.000 -0.061 0.000 1.170 1271 F HN -0.081 nan 8.300 nan 0.000 0.450 1272 E N 6.396 126.171 120.200 -0.708 0.000 2.073 1272 E HA 0.261 4.612 4.350 0.003 0.000 0.269 1272 E C -1.332 174.888 176.600 -0.634 0.000 0.917 1272 E CA -0.938 55.179 56.400 -0.472 0.000 0.757 1272 E CB 1.844 31.344 29.700 -0.333 0.000 1.111 1272 E HN 0.392 nan 8.360 nan 0.000 0.410 1273 L N 3.358 124.436 121.223 -0.242 0.000 2.281 1273 L HA 0.163 4.505 4.340 0.003 0.000 0.285 1273 L C -0.323 176.518 176.870 -0.047 0.000 1.074 1273 L CA -0.298 54.524 54.840 -0.031 0.000 0.817 1273 L CB 0.363 42.530 42.059 0.180 0.000 1.168 1273 L HN 0.304 nan 8.230 nan 0.000 0.434 1274 E N 3.265 123.444 120.200 -0.036 0.000 2.392 1274 E HA 0.091 4.443 4.350 0.003 0.000 0.264 1274 E C -0.376 176.225 176.600 0.002 0.000 1.024 1274 E CA 0.077 56.461 56.400 -0.028 0.000 0.903 1274 E CB 0.318 30.007 29.700 -0.018 0.000 0.963 1274 E HN 0.539 nan 8.360 nan 0.000 0.432 1275 E N 3.464 123.659 120.200 -0.009 0.000 2.366 1275 E HA 0.068 4.419 4.350 0.003 0.000 0.266 1275 E C -2.077 174.532 176.600 0.017 0.000 1.015 1275 E CA -1.822 54.578 56.400 -0.000 0.000 0.906 1275 E CB 0.394 30.090 29.700 -0.007 0.000 0.979 1275 E HN 0.186 nan 8.360 nan 0.000 0.443 1276 P HA 0.007 nan 4.420 nan 0.000 0.266 1276 P C -1.328 176.021 177.300 0.081 0.000 1.195 1276 P CA 0.345 63.495 63.100 0.085 0.000 0.768 1276 P CB 0.469 32.216 31.700 0.078 0.000 0.838 1277 K N 2.859 123.347 120.400 0.147 0.000 2.521 1277 K HA 0.397 4.719 4.320 0.003 0.000 0.248 1277 K C -0.605 176.065 176.600 0.117 0.000 0.978 1277 K CA -0.357 55.988 56.287 0.097 0.000 0.947 1277 K CB 0.773 33.320 32.500 0.079 0.000 1.165 1277 K HN 0.360 nan 8.250 nan 0.000 0.445 1278 L N 4.227 125.434 121.223 -0.027 0.000 2.343 1278 L HA 0.506 4.847 4.340 0.003 0.000 0.275 1278 L C -1.440 175.386 176.870 -0.073 0.000 1.056 1278 L CA -1.928 52.820 54.840 -0.154 0.000 0.804 1278 L CB 0.525 42.429 42.059 -0.258 0.000 1.203 1278 L HN 0.463 nan 8.230 nan 0.000 0.440 1279 P HA 0.302 nan 4.420 nan 0.000 0.281 1279 P C -0.915 176.410 177.300 0.042 0.000 1.249 1279 P CA -0.506 62.521 63.100 -0.122 0.000 0.810 1279 P CB 0.736 32.389 31.700 -0.078 0.000 1.008 1280 F N 1.031 121.008 119.950 0.045 0.000 2.490 1280 F HA 0.259 4.788 4.527 0.003 0.000 0.336 1280 F C -1.563 174.306 175.800 0.115 0.000 1.178 1280 F CA -2.253 55.777 58.000 0.049 0.000 1.301 1280 F CB -1.380 37.612 39.000 -0.013 0.000 1.175 1280 F HN 0.181 nan 8.300 nan 0.000 0.593 1281 P HA 0.192 nan 4.420 nan 0.000 0.269 1281 P C -0.807 176.678 177.300 0.308 0.000 1.215 1281 P CA -0.141 63.103 63.100 0.239 0.000 0.780 1281 P CB 0.570 32.381 31.700 0.186 0.000 0.898 1282 R N 1.437 122.046 120.500 0.183 0.000 2.387 1282 R HA 0.570 4.911 4.340 0.003 0.000 0.314 1282 R C -1.226 175.207 176.300 0.222 0.000 0.958 1282 R CA -0.656 55.492 56.100 0.079 0.000 0.846 1282 R CB 1.085 31.191 30.300 -0.324 0.000 1.147 1282 R HN 0.177 nan 8.270 nan 0.000 0.447 1283 V N 3.056 123.190 119.914 0.367 0.000 2.444 1283 V HA 0.369 4.491 4.120 0.003 0.000 0.294 1283 V C -0.022 176.338 176.094 0.445 0.000 1.022 1283 V CA -0.840 61.674 62.300 0.358 0.000 0.850 1283 V CB 1.720 33.734 31.823 0.318 0.000 0.992 1283 V HN 0.970 nan 8.190 nan 0.000 0.426 1284 S N 4.117 120.032 115.700 0.357 0.000 2.593 1284 S HA 0.151 4.622 4.470 0.003 0.000 0.269 1284 S C 0.946 175.600 174.600 0.090 0.000 1.334 1284 S CA 0.044 58.348 58.200 0.174 0.000 1.015 1284 S CB 0.483 63.697 63.200 0.024 0.000 0.912 1284 S HN 0.747 nan 8.310 nan 0.000 0.541 1285 Y N 1.572 121.772 120.300 -0.168 0.000 2.165 1285 Y HA -0.169 4.382 4.550 0.002 0.000 0.286 1285 Y C 1.631 177.462 175.900 -0.114 0.000 1.155 1285 Y CA 2.390 60.328 58.100 -0.271 0.000 1.164 1285 Y CB -0.600 37.579 38.460 -0.468 0.000 0.978 1285 Y HN 0.744 nan 8.280 nan 0.000 0.513 1286 D N 0.311 120.795 120.400 0.140 0.000 2.104 1286 D HA -0.200 4.441 4.640 0.003 0.000 0.194 1286 D C 2.058 178.354 176.300 -0.007 0.000 0.994 1286 D CA 1.792 55.886 54.000 0.157 0.000 0.830 1286 D CB -0.337 40.593 40.800 0.216 0.000 0.959 1286 D HN 0.205 nan 8.370 nan 0.000 0.452 1287 K N 1.007 121.406 120.400 -0.003 0.000 2.057 1287 K HA -0.003 4.318 4.320 0.003 0.000 0.207 1287 K C 1.790 178.327 176.600 -0.104 0.000 1.049 1287 K CA 1.505 57.774 56.287 -0.030 0.000 0.931 1287 K CB -0.608 31.904 32.500 0.021 0.000 0.714 1287 K HN 0.037 nan 8.250 nan 0.000 0.440 1288 A N 0.351 123.095 122.820 -0.126 0.000 1.902 1288 A HA -0.109 4.212 4.320 0.003 0.000 0.217 1288 A C 2.048 179.486 177.584 -0.243 0.000 1.181 1288 A CA 1.602 53.533 52.037 -0.176 0.000 0.623 1288 A CB -0.658 18.253 19.000 -0.148 0.000 0.818 1288 A HN 0.290 nan 8.150 nan 0.000 0.443 1289 L N -0.179 120.849 121.223 -0.325 0.000 2.141 1289 L HA -0.133 4.208 4.340 0.003 0.000 0.209 1289 L C 2.418 179.194 176.870 -0.158 0.000 1.094 1289 L CA 2.149 56.821 54.840 -0.280 0.000 0.763 1289 L CB -0.620 41.231 42.059 -0.346 0.000 0.908 1289 L HN 0.652 nan 8.230 nan 0.000 0.437 1290 E N 0.057 120.180 120.200 -0.129 0.000 2.047 1290 E HA -0.217 4.135 4.350 0.003 0.000 0.191 1290 E C 2.353 178.867 176.600 -0.143 0.000 0.987 1290 E CA 1.296 57.638 56.400 -0.097 0.000 0.799 1290 E CB -0.114 29.544 29.700 -0.070 0.000 0.752 1290 E HN 0.467 nan 8.360 nan 0.000 0.449 1291 I N 1.111 121.548 120.570 -0.222 0.000 2.163 1291 I HA -0.321 3.851 4.170 0.003 0.000 0.243 1291 I C 2.554 178.509 176.117 -0.271 0.000 1.085 1291 I CA 1.036 62.120 61.300 -0.361 0.000 1.347 1291 I CB -0.254 37.373 38.000 -0.623 0.000 1.044 1291 I HN 0.233 nan 8.210 nan 0.000 0.408 1292 L N 0.281 121.379 121.223 -0.208 0.000 2.046 1292 L HA -0.147 4.194 4.340 0.003 0.000 0.208 1292 L C 2.716 179.530 176.870 -0.094 0.000 1.077 1292 L CA 1.555 56.314 54.840 -0.136 0.000 0.747 1292 L CB -1.209 40.781 42.059 -0.115 0.000 0.896 1292 L HN 0.340 nan 8.230 nan 0.000 0.432 1293 G N -0.212 108.534 108.800 -0.090 0.000 2.476 1293 G HA2 -0.289 3.672 3.960 0.003 0.000 0.218 1293 G HA3 -0.289 3.672 3.960 0.003 0.000 0.218 1293 G C 1.100 175.971 174.900 -0.048 0.000 1.164 1293 G CA 1.032 46.098 45.100 -0.056 0.000 0.768 1293 G HN 0.310 nan 8.290 nan 0.000 0.560 1294 D N 0.192 120.555 120.400 -0.062 0.000 2.310 1294 D HA -0.010 4.632 4.640 0.003 0.000 0.212 1294 D C 2.288 178.571 176.300 -0.028 0.000 0.965 1294 D CA 0.362 54.337 54.000 -0.041 0.000 0.879 1294 D CB -0.047 40.726 40.800 -0.045 0.000 0.921 1294 D HN 0.324 nan 8.370 nan 0.000 0.510 1295 L N -0.925 120.273 121.223 -0.040 0.000 2.591 1295 L HA 0.209 4.551 4.340 0.003 0.000 0.228 1295 L C 1.473 178.337 176.870 -0.012 0.000 1.133 1295 L CA 0.282 55.112 54.840 -0.017 0.000 0.880 1295 L CB 0.084 42.130 42.059 -0.022 0.000 1.033 1295 L HN 0.091 nan 8.230 nan 0.000 0.450 1296 G N 0.594 109.384 108.800 -0.016 0.000 2.157 1296 G HA2 -0.305 3.657 3.960 0.003 0.000 0.248 1296 G HA3 -0.305 3.657 3.960 0.003 0.000 0.248 1296 G C 0.154 175.048 174.900 -0.010 0.000 0.979 1296 G CA 0.145 45.239 45.100 -0.009 0.000 0.650 1296 G HN 0.266 nan 8.290 nan 0.000 0.529 1297 K N 0.976 121.365 120.400 -0.019 0.000 2.281 1297 K HA 0.589 4.910 4.320 0.003 0.000 0.272 1297 K C -0.070 176.517 176.600 -0.022 0.000 1.048 1297 K CA -0.832 55.444 56.287 -0.017 0.000 0.898 1297 K CB 1.019 33.506 32.500 -0.021 0.000 1.128 1297 K HN 0.195 nan 8.250 nan 0.000 0.460 1298 E N 5.275 125.469 120.200 -0.010 0.000 2.167 1298 E HA 0.280 4.631 4.350 0.003 0.000 0.284 1298 E C -0.907 175.692 176.600 -0.003 0.000 1.016 1298 E CA -0.344 56.053 56.400 -0.006 0.000 0.817 1298 E CB 0.433 30.136 29.700 0.006 0.000 1.080 1298 E HN 0.477 nan 8.360 nan 0.000 0.397 1299 I N 6.983 127.546 120.570 -0.011 0.000 2.468 1299 I HA 0.305 4.476 4.170 0.003 0.000 0.285 1299 I C -2.329 173.803 176.117 0.024 0.000 1.039 1299 I CA -2.559 58.738 61.300 -0.006 0.000 1.074 1299 I CB 1.450 39.417 38.000 -0.055 0.000 1.228 1299 I HN 0.480 nan 8.210 nan 0.000 0.436 1300 P HA 0.006 nan 4.420 nan 0.000 0.271 1300 P C -0.480 176.931 177.300 0.184 0.000 1.216 1300 P CA -0.085 63.086 63.100 0.118 0.000 0.771 1300 P CB 0.435 32.197 31.700 0.103 0.000 0.864 1301 W N 3.537 124.892 121.300 0.092 0.000 2.347 1301 W HA 0.305 4.966 4.660 0.002 0.000 0.333 1301 W C 1.234 177.859 176.519 0.176 0.000 1.383 1301 W CA 2.303 59.759 57.345 0.186 0.000 1.283 1301 W CB 0.000 29.541 29.460 0.135 0.000 1.253 1301 W HN 0.779 nan 8.180 nan 0.000 0.563 1302 G N 2.873 111.582 108.800 -0.153 0.000 2.428 1302 G HA2 -0.227 3.734 3.960 0.003 0.000 0.199 1302 G HA3 -0.227 3.734 3.960 0.003 0.000 0.199 1302 G C 0.042 174.874 174.900 -0.113 0.000 1.005 1302 G CA -0.258 44.747 45.100 -0.159 0.000 0.671 1302 G HN 0.501 nan 8.290 nan 0.000 0.485 1303 E N 1.079 121.292 120.200 0.021 0.000 2.283 1303 E HA 0.461 4.812 4.350 0.003 0.000 0.271 1303 E C -0.704 175.965 176.600 0.115 0.000 1.031 1303 E CA -0.708 55.720 56.400 0.046 0.000 0.868 1303 E CB 1.361 31.097 29.700 0.061 0.000 1.094 1303 E HN 0.204 nan 8.360 nan 0.000 0.401 1304 D N 0.946 121.404 120.400 0.097 0.000 2.357 1304 D HA 0.088 4.730 4.640 0.003 0.000 0.242 1304 D C -0.515 175.893 176.300 0.180 0.000 1.153 1304 D CA -0.145 53.960 54.000 0.175 0.000 0.918 1304 D CB 0.616 41.468 40.800 0.087 0.000 1.181 1304 D HN 0.256 nan 8.370 nan 0.000 0.435 1305 I N 2.500 123.205 120.570 0.225 0.000 2.416 1305 I HA 0.092 4.264 4.170 0.003 0.000 0.288 1305 I C 0.506 176.690 176.117 0.112 0.000 1.051 1305 I CA -0.678 60.700 61.300 0.129 0.000 1.375 1305 I CB 0.782 38.857 38.000 0.124 0.000 1.407 1305 I HN 0.424 nan 8.210 nan 0.000 0.516 1306 D N 2.924 123.371 120.400 0.078 0.000 2.433 1306 D HA 0.030 4.671 4.640 0.003 0.000 0.255 1306 D C 1.305 177.653 176.300 0.080 0.000 1.226 1306 D CA -0.305 53.741 54.000 0.076 0.000 1.015 1306 D CB 0.231 41.068 40.800 0.061 0.000 1.091 1306 D HN 0.651 nan 8.370 nan 0.000 0.527 1307 T N -3.274 111.330 114.554 0.083 0.000 2.788 1307 T HA -0.234 4.117 4.350 0.003 0.000 0.268 1307 T C 1.524 176.265 174.700 0.069 0.000 1.044 1307 T CA 1.616 63.767 62.100 0.084 0.000 1.139 1307 T CB -0.528 68.399 68.868 0.099 0.000 0.867 1307 T HN 0.611 nan 8.240 nan 0.000 0.454 1308 E N 1.413 121.648 120.200 0.058 0.000 2.077 1308 E HA -0.053 4.298 4.350 0.003 0.000 0.193 1308 E C 2.487 179.113 176.600 0.044 0.000 0.989 1308 E CA 1.221 57.648 56.400 0.046 0.000 0.800 1308 E CB -0.916 28.806 29.700 0.036 0.000 0.746 1308 E HN 0.636 nan 8.360 nan 0.000 0.452 1309 G N 0.822 109.648 108.800 0.043 0.000 2.446 1309 G HA2 -0.301 3.661 3.960 0.003 0.000 0.217 1309 G HA3 -0.301 3.661 3.960 0.003 0.000 0.217 1309 G C 1.339 176.275 174.900 0.060 0.000 1.168 1309 G CA 0.957 46.077 45.100 0.034 0.000 0.771 1309 G HN 0.342 nan 8.290 nan 0.000 0.551 1310 E N -0.154 120.097 120.200 0.084 0.000 2.085 1310 E HA -0.149 4.203 4.350 0.003 0.000 0.194 1310 E C 2.518 179.185 176.600 0.111 0.000 0.994 1310 E CA 0.789 57.260 56.400 0.117 0.000 0.801 1310 E CB -0.150 29.615 29.700 0.108 0.000 0.743 1310 E HN 0.375 nan 8.360 nan 0.000 0.453 1311 R N 0.931 121.479 120.500 0.080 0.000 2.083 1311 R HA -0.167 4.175 4.340 0.003 0.000 0.237 1311 R C 2.412 178.752 176.300 0.067 0.000 1.137 1311 R CA 1.220 57.361 56.100 0.068 0.000 0.951 1311 R CB -0.252 30.079 30.300 0.050 0.000 0.851 1311 R HN 0.145 nan 8.270 nan 0.000 0.434 1312 L N 0.517 121.774 121.223 0.056 0.000 2.042 1312 L HA -0.222 4.120 4.340 0.003 0.000 0.210 1312 L C 2.494 179.404 176.870 0.067 0.000 1.076 1312 L CA 1.253 56.123 54.840 0.050 0.000 0.749 1312 L CB -0.404 41.670 42.059 0.025 0.000 0.893 1312 L HN 0.288 nan 8.230 nan 0.000 0.432 1313 L N -0.625 120.635 121.223 0.062 0.000 2.046 1313 L HA -0.131 4.210 4.340 0.003 0.000 0.208 1313 L C 2.685 179.587 176.870 0.054 0.000 1.077 1313 L CA 1.359 56.228 54.840 0.050 0.000 0.747 1313 L CB -1.091 41.026 42.059 0.097 0.000 0.896 1313 L HN 0.313 nan 8.230 nan 0.000 0.432 1314 G N -0.102 108.778 108.800 0.133 0.000 2.440 1314 G HA2 -0.326 3.636 3.960 0.003 0.000 0.218 1314 G HA3 -0.326 3.636 3.960 0.003 0.000 0.218 1314 G C 1.668 176.601 174.900 0.055 0.000 1.154 1314 G CA 1.013 46.197 45.100 0.141 0.000 0.767 1314 G HN 0.304 nan 8.290 nan 0.000 0.552 1315 K N -0.764 119.670 120.400 0.058 0.000 2.026 1315 K HA -0.142 4.180 4.320 0.003 0.000 0.208 1315 K C 2.187 178.795 176.600 0.013 0.000 1.048 1315 K CA 1.151 57.457 56.287 0.031 0.000 0.929 1315 K CB -0.396 32.128 32.500 0.040 0.000 0.713 1315 K HN 0.341 nan 8.250 nan 0.000 0.439 1316 Y N 0.869 121.125 120.300 -0.074 0.000 2.165 1316 Y HA -0.241 4.311 4.550 0.002 0.000 0.286 1316 Y C 2.001 177.820 175.900 -0.134 0.000 1.155 1316 Y CA 1.807 59.850 58.100 -0.095 0.000 1.164 1316 Y CB 0.035 38.432 38.460 -0.105 0.000 0.978 1316 Y HN 0.083 nan 8.280 nan 0.000 0.513 1317 M N -1.041 118.512 119.600 -0.080 0.000 2.319 1317 M HA -0.136 4.346 4.480 0.003 0.000 0.265 1317 M C 2.140 178.342 176.300 -0.164 0.000 1.068 1317 M CA 1.308 56.488 55.300 -0.201 0.000 1.118 1317 M CB -0.966 31.381 32.600 -0.420 0.000 1.395 1317 M HN 0.509 nan 8.290 nan 0.000 0.435 1318 M N 0.966 120.498 119.600 -0.113 0.000 2.123 1318 M HA -0.070 4.411 4.480 0.003 0.000 0.263 1318 M C 1.763 177.990 176.300 -0.122 0.000 1.069 1318 M CA 1.851 57.100 55.300 -0.086 0.000 1.133 1318 M CB -0.403 32.170 32.600 -0.045 0.000 1.356 1318 M HN 0.224 nan 8.290 nan 0.000 0.415 1319 E N -0.295 119.809 120.200 -0.161 0.000 2.077 1319 E HA -0.148 4.203 4.350 0.003 0.000 0.193 1319 E C 1.533 177.992 176.600 -0.235 0.000 0.989 1319 E CA 1.272 57.562 56.400 -0.183 0.000 0.800 1319 E CB -0.252 29.332 29.700 -0.193 0.000 0.746 1319 E HN 0.597 nan 8.360 nan 0.000 0.452 1320 N N -0.068 118.416 118.700 -0.359 0.000 2.392 1320 N HA -0.023 4.718 4.740 0.003 0.000 0.177 1320 N C 0.787 176.178 175.510 -0.198 0.000 1.066 1320 N CA 0.629 53.474 53.050 -0.341 0.000 0.895 1320 N CB 0.621 38.740 38.487 -0.612 0.000 0.988 1320 N HN 0.096 nan 8.380 nan 0.000 0.457 1321 E N -0.080 120.024 120.200 -0.161 0.000 2.676 1321 E HA 0.070 4.422 4.350 0.003 0.000 0.225 1321 E C -0.395 176.165 176.600 -0.067 0.000 0.944 1321 E CA -0.179 56.168 56.400 -0.090 0.000 1.156 1321 E CB -0.066 29.595 29.700 -0.065 0.000 1.117 1321 E HN 0.232 nan 8.360 nan 0.000 0.523 1322 N N 1.102 119.753 118.700 -0.080 0.000 2.727 1322 N HA -0.230 4.512 4.740 0.003 0.000 0.249 1322 N C -0.823 174.660 175.510 -0.044 0.000 1.048 1322 N CA 0.473 53.488 53.050 -0.059 0.000 0.714 1322 N CB -0.450 38.009 38.487 -0.047 0.000 0.959 1322 N HN 0.137 nan 8.380 nan 0.000 0.544 1323 A N 0.874 123.664 122.820 -0.050 0.000 2.328 1323 A HA 0.463 4.785 4.320 0.003 0.000 0.318 1323 A C -1.136 176.425 177.584 -0.039 0.000 1.347 1323 A CA -1.191 50.819 52.037 -0.044 0.000 0.842 1323 A CB 1.111 20.097 19.000 -0.023 0.000 1.148 1323 A HN 0.263 nan 8.150 nan 0.000 0.499 1324 P HA 0.002 nan 4.420 nan 0.000 0.225 1324 P C -0.005 177.273 177.300 -0.036 0.000 1.156 1324 P CA 0.772 63.887 63.100 0.025 0.000 0.787 1324 P CB 0.251 32.011 31.700 0.100 0.000 0.802 1325 L N 0.306 121.315 121.223 -0.357 0.000 2.362 1325 L HA 0.499 4.840 4.340 0.003 0.000 0.275 1325 L C -0.454 176.080 176.870 -0.559 0.000 0.998 1325 L CA -1.201 53.183 54.840 -0.759 0.000 0.820 1325 L CB 1.679 42.662 42.059 -1.792 0.000 1.270 1325 L HN -0.003 nan 8.230 nan 0.000 0.415 1326 Y N 1.172 121.174 120.300 -0.497 0.000 2.641 1326 Y HA 0.668 5.219 4.550 0.002 0.000 0.333 1326 Y C -1.893 173.894 175.900 -0.189 0.000 1.174 1326 Y CA -1.817 56.152 58.100 -0.219 0.000 1.057 1326 Y CB 0.824 39.254 38.460 -0.050 0.000 1.322 1326 Y HN 0.242 nan 8.280 nan 0.000 0.457 1327 F N 2.629 122.520 119.950 -0.098 0.000 2.422 1327 F HA 0.660 5.188 4.527 0.002 0.000 0.333 1327 F C -0.319 175.504 175.800 0.038 0.000 1.095 1327 F CA -0.741 57.195 58.000 -0.106 0.000 1.038 1327 F CB 1.555 40.518 39.000 -0.063 0.000 1.156 1327 F HN 0.385 nan 8.300 nan 0.000 0.483 1328 L N 4.182 125.593 121.223 0.312 0.000 2.295 1328 L HA 0.451 4.793 4.340 0.003 0.000 0.285 1328 L C -0.817 176.389 176.870 0.561 0.000 1.035 1328 L CA -0.795 54.263 54.840 0.363 0.000 0.806 1328 L CB 1.184 43.391 42.059 0.247 0.000 1.214 1328 L HN 0.639 nan 8.230 nan 0.000 0.426 1329 Y N 0.373 120.787 120.300 0.189 0.000 2.840 1329 Y HA 0.361 4.912 4.550 0.003 0.000 0.324 1329 Y C -0.628 175.365 175.900 0.155 0.000 1.378 1329 Y CA -2.362 55.913 58.100 0.292 0.000 1.077 1329 Y CB 0.794 39.446 38.460 0.320 0.000 1.361 1329 Y HN 0.619 nan 8.280 nan 0.000 0.459 1330 Q N -0.047 119.738 119.800 -0.026 0.000 2.452 1330 Q HA -0.239 4.102 4.340 0.003 0.000 0.318 1330 Q C -1.435 174.528 176.000 -0.062 0.000 1.386 1330 Q CA 0.788 56.504 55.803 -0.147 0.000 0.872 1330 Q CB -1.874 26.538 28.738 -0.543 0.000 1.151 1330 Q HN 0.559 nan 8.270 nan 0.000 0.417 1331 Y N -0.134 120.120 120.300 -0.076 0.000 2.330 1331 Y HA 0.175 4.726 4.550 0.002 0.000 0.341 1331 Y C -1.624 174.023 175.900 -0.421 0.000 1.278 1331 Y CA -1.844 56.048 58.100 -0.346 0.000 1.453 1331 Y CB 0.196 38.499 38.460 -0.262 0.000 1.342 1331 Y HN 0.079 nan 8.280 nan 0.000 0.590 1332 P HA 0.051 nan 4.420 nan 0.000 0.271 1332 P C 0.089 177.282 177.300 -0.177 0.000 1.216 1332 P CA 0.398 63.221 63.100 -0.462 0.000 0.771 1332 P CB 0.847 31.980 31.700 -0.945 0.000 0.864 1333 S N 2.488 118.170 115.700 -0.030 0.000 2.400 1333 S HA -0.210 4.262 4.470 0.003 0.000 0.232 1333 S C 1.514 176.073 174.600 -0.068 0.000 1.025 1333 S CA 1.434 59.617 58.200 -0.029 0.000 0.993 1333 S CB -0.644 62.568 63.200 0.020 0.000 0.808 1333 S HN 0.684 nan 8.310 nan 0.000 0.478 1334 E N 1.359 121.526 120.200 -0.055 0.000 2.338 1334 E HA 0.021 4.373 4.350 0.003 0.000 0.197 1334 E C 1.606 178.147 176.600 -0.098 0.000 1.007 1334 E CA 0.912 57.279 56.400 -0.054 0.000 0.849 1334 E CB -0.179 29.517 29.700 -0.007 0.000 0.774 1334 E HN 0.502 nan 8.360 nan 0.000 0.506 1335 A N 0.518 123.245 122.820 -0.154 0.000 2.238 1335 A HA 0.124 4.445 4.320 0.003 0.000 0.210 1335 A C 0.658 178.120 177.584 -0.202 0.000 1.179 1335 A CA -0.028 51.911 52.037 -0.165 0.000 0.827 1335 A CB 0.255 19.136 19.000 -0.199 0.000 0.856 1335 A HN -0.068 nan 8.150 nan 0.000 0.488 1336 K N -0.250 120.017 120.400 -0.222 0.000 2.352 1336 K HA 0.505 4.827 4.320 0.003 0.000 0.240 1336 K C -3.106 173.295 176.600 -0.332 0.000 1.017 1336 K CA -2.479 53.630 56.287 -0.296 0.000 0.851 1336 K CB 0.699 33.011 32.500 -0.315 0.000 1.261 1336 K HN -0.165 nan 8.250 nan 0.000 0.451 1337 P HA -0.026 nan 4.420 nan 0.000 0.269 1337 P C 0.614 177.487 177.300 -0.712 0.000 1.211 1337 P CA 0.030 62.644 63.100 -0.811 0.000 0.781 1337 P CB 0.130 30.863 31.700 -1.612 0.000 0.877 1338 F N 0.615 120.247 119.950 -0.531 0.000 2.333 1338 F HA -0.115 4.414 4.527 0.003 0.000 0.300 1338 F C 1.452 177.083 175.800 -0.281 0.000 1.083 1338 F CA 0.608 58.401 58.000 -0.345 0.000 1.395 1338 F CB -1.830 36.991 39.000 -0.298 0.000 1.056 1338 F HN 0.306 nan 8.300 nan 0.000 0.529 1339 Y N -0.158 119.839 120.300 -0.506 0.000 2.490 1339 Y HA 0.408 4.960 4.550 0.002 0.000 0.281 1339 Y C 0.460 176.276 175.900 -0.140 0.000 1.174 1339 Y CA -1.720 56.236 58.100 -0.241 0.000 1.295 1339 Y CB -1.062 37.198 38.460 -0.334 0.000 1.062 1339 Y HN -0.083 nan 8.280 nan 0.000 0.522 1340 I N 2.802 123.255 120.570 -0.195 0.000 2.472 1340 I HA 0.121 4.292 4.170 0.003 0.000 0.290 1340 I C 0.295 176.383 176.117 -0.050 0.000 1.016 1340 I CA -1.211 60.035 61.300 -0.089 0.000 1.348 1340 I CB 1.176 39.081 38.000 -0.158 0.000 1.417 1340 I HN 0.320 nan 8.210 nan 0.000 0.521 1341 M N 6.189 125.772 119.600 -0.028 0.000 2.200 1341 M HA 0.185 4.666 4.480 0.003 0.000 0.355 1341 M C -0.132 176.141 176.300 -0.045 0.000 1.283 1341 M CA -0.068 55.210 55.300 -0.037 0.000 1.124 1341 M CB 0.395 32.973 32.600 -0.036 0.000 1.625 1341 M HN 0.455 nan 8.290 nan 0.000 0.463 1342 K N 3.426 123.811 120.400 -0.024 0.000 2.107 1342 K HA 0.188 4.509 4.320 0.003 0.000 0.251 1342 K C -1.290 175.319 176.600 0.014 0.000 1.012 1342 K CA -0.422 55.884 56.287 0.031 0.000 0.920 1342 K CB 0.590 33.118 32.500 0.046 0.000 1.033 1342 K HN 0.510 nan 8.250 nan 0.000 0.478 1343 Y N 2.201 122.515 120.300 0.023 0.000 2.587 1343 Y HA -0.084 4.467 4.550 0.002 0.000 0.344 1343 Y C 0.969 176.880 175.900 0.019 0.000 1.061 1343 Y CA 0.286 58.402 58.100 0.026 0.000 1.370 1343 Y CB 0.241 38.716 38.460 0.025 0.000 1.163 1343 Y HN 0.643 nan 8.280 nan 0.000 0.527 1344 D N 1.335 121.787 120.400 0.087 0.000 2.158 1344 D HA -0.234 4.408 4.640 0.003 0.000 0.197 1344 D C 1.565 177.915 176.300 0.083 0.000 0.995 1344 D CA 1.624 55.661 54.000 0.061 0.000 0.846 1344 D CB -0.059 40.759 40.800 0.031 0.000 0.941 1344 D HN 0.662 nan 8.370 nan 0.000 0.456 1345 N N 0.114 118.887 118.700 0.121 0.000 2.467 1345 N HA -0.115 4.627 4.740 0.003 0.000 0.184 1345 N C 0.280 175.839 175.510 0.081 0.000 1.106 1345 N CA 0.383 53.490 53.050 0.095 0.000 0.892 1345 N CB 0.473 39.021 38.487 0.102 0.000 0.969 1345 N HN 0.122 nan 8.380 nan 0.000 0.454 1346 K N 0.277 120.744 120.400 0.113 0.000 3.072 1346 K HA 0.251 4.573 4.320 0.003 0.000 0.216 1346 K C -2.489 174.174 176.600 0.105 0.000 1.253 1346 K CA -0.937 55.388 56.287 0.064 0.000 0.891 1346 K CB 1.371 33.872 32.500 0.002 0.000 1.224 1346 K HN -0.284 nan 8.250 nan 0.000 0.570 1347 P HA -0.247 nan 4.420 nan 0.000 0.218 1347 P C 0.866 178.223 177.300 0.094 0.000 1.146 1347 P CA 1.109 64.260 63.100 0.085 0.000 0.820 1347 P CB 0.218 31.947 31.700 0.048 0.000 0.778 1348 E N 0.437 120.694 120.200 0.094 0.000 2.418 1348 E HA -0.097 4.254 4.350 0.003 0.000 0.197 1348 E C 0.896 177.627 176.600 0.218 0.000 1.026 1348 E CA 0.526 57.014 56.400 0.148 0.000 0.862 1348 E CB -0.706 29.066 29.700 0.120 0.000 0.799 1348 E HN 0.361 nan 8.360 nan 0.000 0.518 1349 I N -1.137 119.536 120.570 0.172 0.000 2.846 1349 I HA 0.586 4.758 4.170 0.003 0.000 0.307 1349 I C -0.127 176.140 176.117 0.250 0.000 1.053 1349 I CA -1.332 60.063 61.300 0.158 0.000 1.050 1349 I CB 2.134 40.165 38.000 0.051 0.000 1.239 1349 I HN 0.029 nan 8.210 nan 0.000 0.439 1350 C N 2.137 121.584 119.300 0.245 0.000 3.108 1350 C HA 0.601 5.062 4.460 0.003 0.000 0.321 1350 C C 0.573 175.752 174.990 0.314 0.000 1.357 1350 C CA -1.002 58.168 59.018 0.253 0.000 1.562 1350 C CB 1.926 29.713 27.740 0.079 0.000 2.003 1350 C HN 0.949 nan 8.230 nan 0.000 0.460 1351 R N 0.868 121.445 120.500 0.129 0.000 4.263 1351 R HA 0.483 4.825 4.340 0.003 0.000 0.248 1351 R C 0.360 176.780 176.300 0.200 0.000 1.796 1351 R CA 0.192 56.371 56.100 0.133 0.000 1.518 1351 R CB -0.286 29.967 30.300 -0.078 0.000 1.342 1351 R HN 0.821 nan 8.270 nan 0.000 0.706 1352 A N 1.051 123.997 122.820 0.210 0.000 2.311 1352 A HA 0.776 5.098 4.320 0.003 0.000 0.334 1352 A C -0.485 177.307 177.584 0.347 0.000 1.139 1352 A CA -0.639 51.448 52.037 0.084 0.000 0.830 1352 A CB 0.707 19.634 19.000 -0.122 0.000 1.234 1352 A HN 0.355 nan 8.150 nan 0.000 0.483 1353 F N -1.195 118.923 119.950 0.280 0.000 2.662 1353 F HA 0.796 5.325 4.527 0.003 0.000 0.312 1353 F C -1.545 174.457 175.800 0.337 0.000 1.113 1353 F CA -1.301 56.961 58.000 0.437 0.000 0.951 1353 F CB 1.281 40.504 39.000 0.371 0.000 1.344 1353 F HN 0.349 nan 8.300 nan 0.000 0.462 1354 D N 1.663 122.438 120.400 0.625 0.000 2.780 1354 D HA 0.498 5.140 4.640 0.003 0.000 0.242 1354 D C -1.659 174.842 176.300 0.336 0.000 1.135 1354 D CA -0.227 53.992 54.000 0.364 0.000 0.859 1354 D CB 2.598 43.560 40.800 0.270 0.000 1.530 1354 D HN 0.721 nan 8.370 nan 0.000 0.493 1355 L N 2.140 123.450 121.223 0.144 0.000 2.282 1355 L HA 0.437 4.778 4.340 0.003 0.000 0.288 1355 L C -0.654 176.053 176.870 -0.272 0.000 1.033 1355 L CA -0.172 54.510 54.840 -0.263 0.000 0.807 1355 L CB 1.010 42.857 42.059 -0.353 0.000 1.209 1355 L HN 0.172 nan 8.230 nan 0.000 0.423 1356 E N 4.741 124.661 120.200 -0.466 0.000 2.151 1356 E HA 0.245 4.597 4.350 0.003 0.000 0.275 1356 E C -1.614 174.862 176.600 -0.206 0.000 0.936 1356 E CA -0.364 55.844 56.400 -0.321 0.000 0.777 1356 E CB 1.936 31.339 29.700 -0.496 0.000 1.108 1356 E HN 0.435 nan 8.360 nan 0.000 0.401 1357 Y N 2.977 123.162 120.300 -0.191 0.000 2.338 1357 Y HA 0.193 4.744 4.550 0.003 0.000 0.328 1357 Y C 0.216 176.070 175.900 -0.078 0.000 0.965 1357 Y CA -1.484 56.517 58.100 -0.165 0.000 1.208 1357 Y CB 0.377 38.738 38.460 -0.165 0.000 1.132 1357 Y HN 0.589 nan 8.280 nan 0.000 0.469 1358 R N 3.513 124.149 120.500 0.226 0.000 3.416 1358 R HA -0.219 4.123 4.340 0.003 0.000 0.263 1358 R C 0.959 177.298 176.300 0.065 0.000 1.053 1358 R CA 0.973 57.118 56.100 0.075 0.000 0.705 1358 R CB -1.863 28.394 30.300 -0.071 0.000 1.124 1358 R HN 1.201 nan 8.270 nan 0.000 0.444 1359 G N -1.673 107.203 108.800 0.126 0.000 2.162 1359 G HA2 -0.320 3.641 3.960 0.003 0.000 0.260 1359 G HA3 -0.320 3.641 3.960 0.003 0.000 0.260 1359 G C 0.079 175.027 174.900 0.080 0.000 0.976 1359 G CA 0.146 45.320 45.100 0.124 0.000 0.655 1359 G HN 0.325 nan 8.290 nan 0.000 0.533 1360 V N 0.435 120.379 119.914 0.049 0.000 2.588 1360 V HA 0.472 4.594 4.120 0.003 0.000 0.304 1360 V C 0.464 176.564 176.094 0.009 0.000 1.042 1360 V CA -0.958 61.354 62.300 0.020 0.000 0.877 1360 V CB 1.970 33.784 31.823 -0.016 0.000 0.996 1360 V HN 0.415 nan 8.190 nan 0.000 0.425 1361 E N 3.537 123.740 120.200 0.005 0.000 2.417 1361 E HA 0.079 4.431 4.350 0.003 0.000 0.261 1361 E C 0.609 177.206 176.600 -0.005 0.000 1.000 1361 E CA 0.104 56.503 56.400 -0.001 0.000 0.919 1361 E CB 0.677 30.388 29.700 0.018 0.000 0.955 1361 E HN 0.750 nan 8.360 nan 0.000 0.455 1362 I N 0.734 121.303 120.570 -0.001 0.000 4.187 1362 I HA 0.318 4.490 4.170 0.003 0.000 0.326 1362 I C 0.443 176.582 176.117 0.036 0.000 1.302 1362 I CA -0.508 60.802 61.300 0.017 0.000 1.196 1362 I CB 0.894 38.918 38.000 0.040 0.000 1.095 1362 I HN 0.190 nan 8.210 nan 0.000 0.411 1363 S N -0.316 115.411 115.700 0.045 0.000 2.537 1363 S HA 0.637 5.109 4.470 0.003 0.000 0.270 1363 S C -1.128 173.548 174.600 0.127 0.000 1.142 1363 S CA -0.359 57.907 58.200 0.110 0.000 0.870 1363 S CB 2.139 65.409 63.200 0.115 0.000 1.112 1363 S HN 0.218 nan 8.310 nan 0.000 0.466 1364 S N 1.132 116.898 115.700 0.110 0.000 2.526 1364 S HA 0.955 5.427 4.470 0.003 0.000 0.293 1364 S C -0.101 174.427 174.600 -0.120 0.000 1.092 1364 S CA 0.182 58.363 58.200 -0.031 0.000 0.980 1364 S CB 1.412 64.582 63.200 -0.050 0.000 1.048 1364 S HN 1.280 nan 8.310 nan 0.000 0.483 1365 G N 0.801 109.221 108.800 -0.633 0.000 2.561 1365 G HA2 0.761 4.722 3.960 0.003 0.000 0.310 1365 G HA3 0.761 4.722 3.960 0.003 0.000 0.310 1365 G C -0.432 173.883 174.900 -0.975 0.000 1.292 1365 G CA 0.027 44.731 45.100 -0.660 0.000 0.811 1365 G HN 1.358 nan 8.290 nan 0.000 0.482 1366 G N -1.607 106.996 108.800 -0.329 0.000 2.337 1366 G HA2 0.513 4.474 3.960 0.003 0.000 0.298 1366 G HA3 0.513 4.474 3.960 0.003 0.000 0.298 1366 G C -1.337 173.664 174.900 0.167 0.000 1.335 1366 G CA -0.098 45.015 45.100 0.021 0.000 0.875 1366 G HN 0.750 nan 8.290 nan 0.000 0.579 1367 Q N 0.153 120.040 119.800 0.145 0.000 2.288 1367 Q HA 0.545 4.886 4.340 0.003 0.000 0.254 1367 Q C 0.180 176.186 176.000 0.009 0.000 0.932 1367 Q CA -0.656 55.185 55.803 0.063 0.000 0.902 1367 Q CB 0.630 29.380 28.738 0.020 0.000 1.203 1367 Q HN 0.455 nan 8.270 nan 0.000 0.415 1368 R N 2.247 122.708 120.500 -0.066 0.000 2.549 1368 R HA 0.235 4.576 4.340 0.003 0.000 0.267 1368 R C -0.580 175.697 176.300 -0.039 0.000 1.045 1368 R CA -0.793 55.277 56.100 -0.050 0.000 1.115 1368 R CB 0.272 30.494 30.300 -0.130 0.000 1.121 1368 R HN 0.619 nan 8.270 nan 0.000 0.543 1369 E N 1.155 121.373 120.200 0.031 0.000 1.996 1369 E HA 0.042 4.393 4.350 0.003 0.000 0.280 1369 E C 0.349 176.990 176.600 0.068 0.000 1.092 1369 E CA 0.003 56.409 56.400 0.011 0.000 0.862 1369 E CB -0.072 29.606 29.700 -0.036 0.000 1.066 1369 E HN 0.604 nan 8.360 nan 0.000 0.396 1370 H N 1.916 120.998 119.070 0.020 0.000 2.553 1370 H HA 0.305 4.862 4.556 0.003 0.000 0.265 1370 H C -0.126 175.351 175.328 0.249 0.000 0.964 1370 H CA -0.320 55.870 56.048 0.237 0.000 1.156 1370 H CB 0.234 30.032 29.762 0.060 0.000 1.411 1370 H HN 0.089 nan 8.280 nan 0.000 0.558 1371 R N 1.682 121.948 120.500 -0.389 0.000 2.220 1371 R HA 0.062 4.404 4.340 0.003 0.000 0.340 1371 R C 1.092 177.322 176.300 -0.118 0.000 1.076 1371 R CA -0.281 55.666 56.100 -0.255 0.000 0.920 1371 R CB 0.064 30.173 30.300 -0.319 0.000 1.062 1371 R HN 0.386 nan 8.270 nan 0.000 0.469 1372 H N 3.160 122.164 119.070 -0.110 0.000 2.267 1372 H HA -0.252 4.306 4.556 0.002 0.000 0.291 1372 H C 0.330 175.555 175.328 -0.171 0.000 1.094 1372 H CA 2.422 58.374 56.048 -0.161 0.000 1.227 1372 H CB 0.490 30.194 29.762 -0.098 0.000 1.351 1372 H HN 0.562 nan 8.280 nan 0.000 0.483 1373 D N 0.398 120.804 120.400 0.010 0.000 2.149 1373 D HA -0.110 4.532 4.640 0.003 0.000 0.198 1373 D C 2.610 178.823 176.300 -0.144 0.000 0.990 1373 D CA 1.153 55.122 54.000 -0.052 0.000 0.839 1373 D CB -0.355 40.457 40.800 0.020 0.000 0.948 1373 D HN 0.497 nan 8.370 nan 0.000 0.460 1374 I N 0.230 120.717 120.570 -0.138 0.000 2.252 1374 I HA -0.214 3.957 4.170 0.003 0.000 0.245 1374 I C 2.306 178.323 176.117 -0.167 0.000 1.102 1374 I CA 0.367 61.588 61.300 -0.132 0.000 1.385 1374 I CB -0.145 37.784 38.000 -0.118 0.000 1.064 1374 I HN 0.013 nan 8.210 nan 0.000 0.414 1375 L N 0.790 121.874 121.223 -0.232 0.000 1.989 1375 L HA -0.183 4.159 4.340 0.003 0.000 0.211 1375 L C 2.452 179.146 176.870 -0.293 0.000 1.071 1375 L CA 1.870 56.556 54.840 -0.256 0.000 0.749 1375 L CB -0.652 41.147 42.059 -0.433 0.000 0.890 1375 L HN -0.019 nan 8.230 nan 0.000 0.431 1376 V N 0.034 119.712 119.914 -0.394 0.000 2.324 1376 V HA -0.283 3.839 4.120 0.003 0.000 0.250 1376 V C 2.702 178.653 176.094 -0.237 0.000 1.060 1376 V CA 1.971 64.061 62.300 -0.350 0.000 1.042 1376 V CB -0.758 30.849 31.823 -0.361 0.000 0.650 1376 V HN 0.490 nan 8.190 nan 0.000 0.450 1377 E N -0.166 119.925 120.200 -0.181 0.000 2.110 1377 E HA -0.227 4.125 4.350 0.003 0.000 0.193 1377 E C 2.277 178.803 176.600 -0.124 0.000 0.988 1377 E CA 1.192 57.516 56.400 -0.127 0.000 0.804 1377 E CB -0.307 29.338 29.700 -0.093 0.000 0.745 1377 E HN 0.701 nan 8.360 nan 0.000 0.458 1378 Q N 0.087 119.811 119.800 -0.127 0.000 2.119 1378 Q HA -0.063 4.278 4.340 0.003 0.000 0.201 1378 Q C 2.381 178.294 176.000 -0.146 0.000 0.972 1378 Q CA 0.797 56.547 55.803 -0.089 0.000 0.847 1378 Q CB -0.105 28.614 28.738 -0.032 0.000 0.903 1378 Q HN 0.303 nan 8.270 nan 0.000 0.433 1379 I N 0.849 121.229 120.570 -0.316 0.000 2.226 1379 I HA -0.312 3.860 4.170 0.003 0.000 0.245 1379 I C 2.095 178.043 176.117 -0.282 0.000 1.100 1379 I CA 1.341 62.306 61.300 -0.558 0.000 1.374 1379 I CB -0.178 37.373 38.000 -0.747 0.000 1.057 1379 I HN 0.139 nan 8.210 nan 0.000 0.413 1380 K N 0.609 120.894 120.400 -0.192 0.000 2.097 1380 K HA -0.175 4.147 4.320 0.003 0.000 0.206 1380 K C 1.914 178.464 176.600 -0.083 0.000 1.049 1380 K CA 1.300 57.518 56.287 -0.115 0.000 0.933 1380 K CB -0.142 32.303 32.500 -0.090 0.000 0.717 1380 K HN 0.393 nan 8.250 nan 0.000 0.442 1381 E N 0.698 120.850 120.200 -0.079 0.000 2.204 1381 E HA -0.128 4.224 4.350 0.003 0.000 0.195 1381 E C 1.356 177.932 176.600 -0.040 0.000 0.990 1381 E CA 0.718 57.089 56.400 -0.049 0.000 0.821 1381 E CB 0.150 29.826 29.700 -0.040 0.000 0.750 1381 E HN 0.087 nan 8.360 nan 0.000 0.477 1382 K N -0.233 120.136 120.400 -0.052 0.000 2.487 1382 K HA 0.040 4.361 4.320 0.003 0.000 0.192 1382 K C 1.042 177.627 176.600 -0.024 0.000 1.027 1382 K CA 0.655 56.925 56.287 -0.027 0.000 1.054 1382 K CB 0.431 32.931 32.500 -0.000 0.000 0.824 1382 K HN 0.280 nan 8.250 nan 0.000 0.510 1383 G N 1.409 110.187 108.800 -0.036 0.000 2.143 1383 G HA2 -0.258 3.703 3.960 0.003 0.000 0.248 1383 G HA3 -0.258 3.703 3.960 0.003 0.000 0.248 1383 G C 0.031 174.921 174.900 -0.018 0.000 0.991 1383 G CA 0.209 45.296 45.100 -0.023 0.000 0.689 1383 G HN 0.237 nan 8.290 nan 0.000 0.522 1384 L N -0.629 120.572 121.223 -0.037 0.000 2.332 1384 L HA 0.547 4.889 4.340 0.003 0.000 0.269 1384 L C 0.397 177.257 176.870 -0.017 0.000 1.016 1384 L CA -1.332 53.505 54.840 -0.005 0.000 0.809 1384 L CB 1.165 43.232 42.059 0.014 0.000 1.280 1384 L HN 0.083 nan 8.230 nan 0.000 0.447 1385 N N 1.141 119.861 118.700 0.034 0.000 2.437 1385 N HA 0.215 4.956 4.740 0.003 0.000 0.243 1385 N C -2.045 173.510 175.510 0.076 0.000 1.041 1385 N CA -2.013 51.052 53.050 0.026 0.000 0.940 1385 N CB 1.481 39.976 38.487 0.014 0.000 1.133 1385 N HN 0.208 nan 8.380 nan 0.000 0.506 1386 P HA -0.120 nan 4.420 nan 0.000 0.218 1386 P C 0.536 177.903 177.300 0.112 0.000 1.148 1386 P CA 1.242 64.367 63.100 0.042 0.000 0.822 1386 P CB 0.352 32.021 31.700 -0.051 0.000 0.784 1387 E N -0.727 119.512 120.200 0.064 0.000 2.209 1387 E HA -0.117 4.234 4.350 0.003 0.000 0.196 1387 E C 1.677 178.306 176.600 0.049 0.000 0.993 1387 E CA 1.075 57.512 56.400 0.061 0.000 0.819 1387 E CB -0.435 29.285 29.700 0.035 0.000 0.745 1387 E HN 0.261 nan 8.360 nan 0.000 0.477 1388 S N 0.034 115.729 115.700 -0.009 0.000 2.515 1388 S HA -0.013 4.459 4.470 0.003 0.000 0.231 1388 S C 0.741 175.150 174.600 -0.318 0.000 0.987 1388 S CA 0.542 58.630 58.200 -0.186 0.000 0.936 1388 S CB 0.031 63.032 63.200 -0.331 0.000 0.766 1388 S HN 0.193 nan 8.310 nan 0.000 0.528 1389 F N 0.768 120.773 119.950 0.092 0.000 2.708 1389 F HA 0.341 4.870 4.527 0.003 0.000 0.300 1389 F C 1.562 177.477 175.800 0.191 0.000 1.118 1389 F CA -0.568 57.528 58.000 0.161 0.000 1.307 1389 F CB 0.135 39.166 39.000 0.050 0.000 0.986 1389 F HN 0.020 nan 8.300 nan 0.000 0.522 1390 E N 1.491 121.869 120.200 0.296 0.000 2.097 1390 E HA -0.276 4.076 4.350 0.003 0.000 0.196 1390 E C 2.068 178.829 176.600 0.269 0.000 1.000 1390 E CA 2.236 58.784 56.400 0.247 0.000 0.804 1390 E CB -0.461 29.353 29.700 0.190 0.000 0.740 1390 E HN 0.460 nan 8.360 nan 0.000 0.454 1391 F N -0.192 119.855 119.950 0.162 0.000 2.202 1391 F HA -0.143 4.385 4.527 0.003 0.000 0.301 1391 F C 2.173 178.105 175.800 0.220 0.000 1.082 1391 F CA 1.371 59.463 58.000 0.152 0.000 1.313 1391 F CB -1.295 37.764 39.000 0.098 0.000 1.024 1391 F HN 0.170 nan 8.300 nan 0.000 0.495 1392 Y N 0.980 120.707 120.300 -0.956 0.000 2.206 1392 Y HA 0.057 4.608 4.550 0.002 0.000 0.292 1392 Y C 2.059 177.955 175.900 -0.007 0.000 1.123 1392 Y CA 1.518 59.191 58.100 -0.711 0.000 1.142 1392 Y CB -0.562 37.487 38.460 -0.685 0.000 1.006 1392 Y HN 0.090 nan 8.280 nan 0.000 0.518 1393 L N 0.828 122.090 121.223 0.064 0.000 2.079 1393 L HA -0.247 4.095 4.340 0.003 0.000 0.210 1393 L C 2.594 179.602 176.870 0.229 0.000 1.081 1393 L CA 1.842 56.706 54.840 0.040 0.000 0.752 1393 L CB -0.611 41.491 42.059 0.072 0.000 0.896 1393 L HN 0.216 nan 8.230 nan 0.000 0.433 1394 K N 0.574 121.077 120.400 0.172 0.000 2.113 1394 K HA -0.222 4.099 4.320 0.003 0.000 0.208 1394 K C 2.049 178.759 176.600 0.183 0.000 1.047 1394 K CA 1.411 57.806 56.287 0.180 0.000 0.928 1394 K CB -0.103 32.521 32.500 0.207 0.000 0.716 1394 K HN 0.312 nan 8.250 nan 0.000 0.446 1395 A N 0.006 122.894 122.820 0.114 0.000 2.125 1395 A HA -0.093 4.228 4.320 0.003 0.000 0.219 1395 A C 1.376 178.871 177.584 -0.149 0.000 1.156 1395 A CA 0.965 52.983 52.037 -0.032 0.000 0.671 1395 A CB -0.477 18.388 19.000 -0.225 0.000 0.794 1395 A HN 0.337 nan 8.150 nan 0.000 0.459 1396 F N -0.693 119.185 119.950 -0.120 0.000 2.765 1396 F HA 0.178 4.706 4.527 0.003 0.000 0.302 1396 F C 2.109 177.820 175.800 -0.148 0.000 1.111 1396 F CA 0.331 58.275 58.000 -0.094 0.000 1.359 1396 F CB 0.063 39.026 39.000 -0.062 0.000 1.097 1396 F HN 0.117 nan 8.300 nan 0.000 0.577 1397 R N -1.347 119.052 120.500 -0.168 0.000 2.290 1397 R HA 0.073 4.415 4.340 0.003 0.000 0.197 1397 R C -0.176 175.689 176.300 -0.724 0.000 0.913 1397 R CA 0.510 56.264 56.100 -0.576 0.000 1.040 1397 R CB 0.035 29.743 30.300 -0.987 0.000 0.992 1397 R HN 0.241 nan 8.270 nan 0.000 0.500 1398 Y N 0.164 120.443 120.300 -0.035 0.000 2.669 1398 Y HA 0.386 4.937 4.550 0.002 0.000 0.302 1398 Y C 0.402 176.280 175.900 -0.036 0.000 1.000 1398 Y CA -0.710 57.369 58.100 -0.036 0.000 1.222 1398 Y CB 1.187 39.626 38.460 -0.036 0.000 1.209 1398 Y HN 0.113 nan 8.280 nan 0.000 0.571 1399 G N 1.744 110.565 108.800 0.035 0.000 2.894 1399 G HA2 -0.105 3.857 3.960 0.003 0.000 0.263 1399 G HA3 -0.105 3.857 3.960 0.003 0.000 0.263 1399 G C -0.977 173.906 174.900 -0.028 0.000 1.013 1399 G CA -0.609 44.505 45.100 0.022 0.000 1.226 1399 G HN 0.200 nan 8.290 nan 0.000 0.563 1400 M N 4.698 124.272 119.600 -0.044 0.000 2.125 1400 M HA 0.638 5.119 4.480 0.003 0.000 0.321 1400 M C -2.141 174.105 176.300 -0.090 0.000 0.983 1400 M CA -2.638 52.591 55.300 -0.118 0.000 0.934 1400 M CB 1.750 34.255 32.600 -0.157 0.000 1.542 1400 M HN 0.259 nan 8.290 nan 0.000 0.424 1401 P HA 0.377 nan 4.420 nan 0.000 0.274 1401 P C -2.912 174.128 177.300 -0.434 0.000 1.237 1401 P CA -1.109 61.672 63.100 -0.531 0.000 0.793 1401 P CB -0.207 30.730 31.700 -1.272 0.000 0.977 1402 P HA 0.076 nan 4.420 nan 0.000 0.269 1402 P C -0.663 176.424 177.300 -0.355 0.000 1.215 1402 P CA 0.655 63.183 63.100 -0.953 0.000 0.780 1402 P CB 0.143 31.322 31.700 -0.868 0.000 0.898 1403 H N -1.537 117.370 119.070 -0.271 0.000 2.981 1403 H HA 0.825 5.383 4.556 0.002 0.000 0.327 1403 H C -0.889 174.428 175.328 -0.020 0.000 1.342 1403 H CA -1.165 54.799 56.048 -0.139 0.000 1.123 1403 H CB 0.863 30.535 29.762 -0.151 0.000 1.851 1403 H HN 0.685 nan 8.280 nan 0.000 0.531 1404 G N -1.362 107.522 108.800 0.140 0.000 2.660 1404 G HA2 0.650 4.611 3.960 0.003 0.000 0.290 1404 G HA3 0.650 4.611 3.960 0.003 0.000 0.290 1404 G C -1.013 174.004 174.900 0.195 0.000 1.432 1404 G CA -0.432 44.757 45.100 0.149 0.000 0.807 1404 G HN 1.156 nan 8.290 nan 0.000 0.485 1405 G N -1.621 107.311 108.800 0.220 0.000 2.490 1405 G HA2 0.857 4.818 3.960 0.003 0.000 0.308 1405 G HA3 0.857 4.818 3.960 0.003 0.000 0.308 1405 G C -1.496 173.568 174.900 0.274 0.000 1.286 1405 G CA 0.134 45.326 45.100 0.154 0.000 0.825 1405 G HN 1.758 nan 8.290 nan 0.000 0.479 1406 F N -2.212 117.872 119.950 0.225 0.000 2.741 1406 F HA 0.823 5.351 4.527 0.002 0.000 0.313 1406 F C -0.195 175.701 175.800 0.160 0.000 1.153 1406 F CA -1.028 57.086 58.000 0.191 0.000 0.931 1406 F CB 1.421 40.630 39.000 0.349 0.000 1.335 1406 F HN 0.983 nan 8.300 nan 0.000 0.460 1407 G N 1.389 110.425 108.800 0.393 0.000 2.557 1407 G HA2 0.606 4.567 3.960 0.003 0.000 0.310 1407 G HA3 0.606 4.567 3.960 0.003 0.000 0.310 1407 G C -2.531 172.590 174.900 0.368 0.000 1.328 1407 G CA -0.807 44.464 45.100 0.285 0.000 0.945 1407 G HN 0.893 nan 8.290 nan 0.000 0.494 1408 L N 3.227 124.687 121.223 0.396 0.000 2.319 1408 L HA 0.774 5.115 4.340 0.003 0.000 0.281 1408 L C 0.525 177.498 176.870 0.171 0.000 1.005 1408 L CA -0.653 54.348 54.840 0.267 0.000 0.828 1408 L CB 1.496 43.731 42.059 0.293 0.000 1.227 1408 L HN 0.510 nan 8.230 nan 0.000 0.415 1409 G N 3.459 112.328 108.800 0.114 0.000 2.354 1409 G HA2 0.425 4.387 3.960 0.003 0.000 0.266 1409 G HA3 0.425 4.387 3.960 0.003 0.000 0.266 1409 G C 0.785 175.736 174.900 0.085 0.000 1.242 1409 G CA 0.096 45.255 45.100 0.099 0.000 0.923 1409 G HN 1.107 nan 8.290 nan 0.000 0.476 1410 A N 2.898 125.783 122.820 0.108 0.000 1.877 1410 A HA -0.045 4.276 4.320 0.003 0.000 0.216 1410 A C 2.177 179.825 177.584 0.106 0.000 1.186 1410 A CA 1.949 54.020 52.037 0.056 0.000 0.620 1410 A CB -0.271 18.772 19.000 0.071 0.000 0.822 1410 A HN 0.577 nan 8.150 nan 0.000 0.443 1411 E N -0.233 120.057 120.200 0.149 0.000 2.077 1411 E HA -0.126 4.226 4.350 0.003 0.000 0.193 1411 E C 2.275 178.891 176.600 0.027 0.000 0.989 1411 E CA 0.977 57.434 56.400 0.096 0.000 0.800 1411 E CB -0.230 29.537 29.700 0.111 0.000 0.746 1411 E HN 0.353 nan 8.360 nan 0.000 0.452 1412 R N 0.161 120.674 120.500 0.023 0.000 2.083 1412 R HA -0.133 4.209 4.340 0.003 0.000 0.237 1412 R C 2.354 178.652 176.300 -0.003 0.000 1.137 1412 R CA 0.928 57.021 56.100 -0.010 0.000 0.951 1412 R CB -0.991 29.306 30.300 -0.006 0.000 0.851 1412 R HN 0.233 nan 8.270 nan 0.000 0.434 1413 L N 1.157 122.399 121.223 0.032 0.000 1.989 1413 L HA -0.137 4.204 4.340 0.003 0.000 0.211 1413 L C 2.187 179.070 176.870 0.022 0.000 1.071 1413 L CA 1.685 56.566 54.840 0.069 0.000 0.749 1413 L CB -0.559 41.525 42.059 0.042 0.000 0.890 1413 L HN 0.092 nan 8.230 nan 0.000 0.431 1414 I N -0.543 120.018 120.570 -0.014 0.000 2.252 1414 I HA -0.284 3.888 4.170 0.003 0.000 0.245 1414 I C 2.593 178.617 176.117 -0.154 0.000 1.102 1414 I CA 1.540 62.800 61.300 -0.067 0.000 1.385 1414 I CB -0.535 37.433 38.000 -0.052 0.000 1.064 1414 I HN 0.333 nan 8.210 nan 0.000 0.414 1415 K N 0.662 120.977 120.400 -0.142 0.000 2.009 1415 K HA -0.246 4.076 4.320 0.003 0.000 0.210 1415 K C 2.245 178.686 176.600 -0.265 0.000 1.049 1415 K CA 1.542 57.718 56.287 -0.185 0.000 0.929 1415 K CB 0.005 32.429 32.500 -0.127 0.000 0.714 1415 K HN 0.204 nan 8.250 nan 0.000 0.440 1416 Q N 0.413 120.040 119.800 -0.289 0.000 2.119 1416 Q HA -0.151 4.191 4.340 0.003 0.000 0.201 1416 Q C 2.014 177.500 176.000 -0.857 0.000 0.972 1416 Q CA 1.425 56.919 55.803 -0.514 0.000 0.847 1416 Q CB -0.321 28.128 28.738 -0.480 0.000 0.903 1416 Q HN 0.472 nan 8.270 nan 0.000 0.433 1417 M N -0.097 119.105 119.600 -0.663 0.000 2.080 1417 M HA -0.155 4.326 4.480 0.003 0.000 0.260 1417 M C 1.254 177.342 176.300 -0.353 0.000 1.068 1417 M CA 1.462 56.514 55.300 -0.413 0.000 1.109 1417 M CB 0.075 32.666 32.600 -0.015 0.000 1.342 1417 M HN 0.127 nan 8.290 nan 0.000 0.405 1418 L N -0.328 120.606 121.223 -0.482 0.000 2.611 1418 L HA 0.058 4.400 4.340 0.003 0.000 0.229 1418 L C 0.213 176.525 176.870 -0.929 0.000 1.137 1418 L CA -0.273 54.042 54.840 -0.875 0.000 0.901 1418 L CB -0.447 41.245 42.059 -0.610 0.000 1.098 1418 L HN 0.333 nan 8.230 nan 0.000 0.456 1419 D N 1.343 121.427 120.400 -0.527 0.000 2.686 1419 D HA -0.210 4.432 4.640 0.003 0.000 0.235 1419 D C -0.216 175.934 176.300 -0.250 0.000 1.160 1419 D CA 0.674 54.501 54.000 -0.289 0.000 0.645 1419 D CB -0.894 39.878 40.800 -0.048 0.000 1.039 1419 D HN 0.198 nan 8.370 nan 0.000 0.423 1420 L N -0.279 120.785 121.223 -0.265 0.000 2.350 1420 L HA 0.329 4.671 4.340 0.003 0.000 0.275 1420 L C -0.893 175.900 176.870 -0.128 0.000 1.099 1420 L CA -1.834 52.890 54.840 -0.194 0.000 0.808 1420 L CB 0.827 42.763 42.059 -0.205 0.000 1.149 1420 L HN -0.104 nan 8.230 nan 0.000 0.442 1421 P HA -0.075 nan 4.420 nan 0.000 0.219 1421 P C -0.170 177.104 177.300 -0.044 0.000 1.150 1421 P CA 1.097 64.163 63.100 -0.056 0.000 0.814 1421 P CB 0.247 31.923 31.700 -0.040 0.000 0.787 1422 N N -1.108 117.563 118.700 -0.049 0.000 2.249 1422 N HA 0.159 4.900 4.740 0.003 0.000 0.296 1422 N C 0.348 175.837 175.510 -0.033 0.000 1.051 1422 N CA -0.527 52.507 53.050 -0.026 0.000 0.815 1422 N CB 1.470 39.951 38.487 -0.010 0.000 1.487 1422 N HN -0.193 nan 8.380 nan 0.000 0.475 1423 I N 3.085 123.645 120.570 -0.016 0.000 2.567 1423 I HA -0.137 4.034 4.170 0.003 0.000 0.257 1423 I C 1.748 177.874 176.117 0.016 0.000 1.184 1423 I CA 1.014 62.308 61.300 -0.009 0.000 1.451 1423 I CB 0.226 38.229 38.000 0.006 0.000 1.089 1423 I HN 0.478 nan 8.210 nan 0.000 0.441 1424 R N 0.434 120.950 120.500 0.027 0.000 2.241 1424 R HA -0.112 4.230 4.340 0.003 0.000 0.224 1424 R C 1.635 177.960 176.300 0.042 0.000 1.101 1424 R CA 0.726 56.853 56.100 0.046 0.000 0.995 1424 R CB -0.144 30.181 30.300 0.042 0.000 0.870 1424 R HN 0.406 nan 8.270 nan 0.000 0.463 1425 E N 0.315 120.515 120.200 0.000 0.000 2.427 1425 E HA -0.073 4.279 4.350 0.003 0.000 0.196 1425 E C 1.520 178.071 176.600 -0.082 0.000 1.028 1425 E CA 0.950 57.335 56.400 -0.024 0.000 0.864 1425 E CB 0.488 30.138 29.700 -0.084 0.000 0.813 1425 E HN 0.303 nan 8.360 nan 0.000 0.514 1426 V N -1.764 118.109 119.914 -0.069 0.000 3.427 1426 V HA 0.413 4.535 4.120 0.003 0.000 0.305 1426 V C 0.612 176.736 176.094 0.050 0.000 1.412 1426 V CA -0.321 61.869 62.300 -0.183 0.000 1.086 1426 V CB 0.045 31.770 31.823 -0.163 0.000 0.964 1426 V HN -0.034 nan 8.190 nan 0.000 0.439 1427 I N -0.047 120.671 120.570 0.246 0.000 2.582 1427 I HA 0.407 4.579 4.170 0.003 0.000 0.292 1427 I C 0.847 177.100 176.117 0.226 0.000 1.066 1427 I CA -0.857 60.624 61.300 0.300 0.000 1.053 1427 I CB 2.445 40.569 38.000 0.208 0.000 1.241 1427 I HN 0.041 nan 8.210 nan 0.000 0.421 1428 L N 6.072 127.292 121.223 -0.005 0.000 2.012 1428 L HA -0.082 4.260 4.340 0.003 0.000 0.210 1428 L C -0.054 176.364 176.870 -0.753 0.000 1.073 1428 L CA 1.839 56.326 54.840 -0.589 0.000 0.748 1428 L CB -0.273 41.349 42.059 -0.728 0.000 0.891 1428 L HN 0.468 nan 8.230 nan 0.000 0.431 1429 F N -0.673 119.292 119.950 0.026 0.000 2.564 1429 F HA 0.378 4.906 4.527 0.002 0.000 0.361 1429 F C -2.142 173.710 175.800 0.087 0.000 1.161 1429 F CA -2.352 55.677 58.000 0.048 0.000 1.198 1429 F CB 0.061 39.086 39.000 0.042 0.000 1.424 1429 F HN -0.236 nan 8.300 nan 0.000 0.517 1430 P HA 0.128 nan 4.420 nan 0.000 0.268 1430 P C -0.336 177.068 177.300 0.173 0.000 1.208 1430 P CA -0.190 63.007 63.100 0.161 0.000 0.777 1430 P CB 0.691 32.460 31.700 0.114 0.000 0.875 1431 R N 2.484 123.086 120.500 0.169 0.000 2.451 1431 R HA 0.400 4.742 4.340 0.003 0.000 0.307 1431 R C -0.528 175.871 176.300 0.166 0.000 0.965 1431 R CA -0.542 55.657 56.100 0.165 0.000 0.865 1431 R CB 1.384 31.788 30.300 0.173 0.000 1.174 1431 R HN 0.627 nan 8.270 nan 0.000 0.455 1432 D N -0.078 120.412 120.400 0.149 0.000 2.798 1432 D HA 0.217 4.858 4.640 0.003 0.000 0.308 1432 D C 0.896 177.278 176.300 0.136 0.000 1.187 1432 D CA -0.843 53.241 54.000 0.141 0.000 1.033 1432 D CB 0.650 41.519 40.800 0.115 0.000 1.445 1432 D HN 0.053 nan 8.370 nan 0.000 0.550 1433 R N -0.333 120.236 120.500 0.114 0.000 2.140 1433 R HA -0.102 4.239 4.340 0.003 0.000 0.250 1433 R C 1.503 177.864 176.300 0.101 0.000 1.150 1433 R CA 2.040 58.203 56.100 0.105 0.000 0.966 1433 R CB -0.111 30.242 30.300 0.087 0.000 0.869 1433 R HN 0.515 nan 8.270 nan 0.000 0.445 1434 R N -1.108 119.447 120.500 0.091 0.000 2.419 1434 R HA 0.188 4.529 4.340 0.003 0.000 0.235 1434 R C 0.210 176.559 176.300 0.081 0.000 0.899 1434 R CA -0.277 55.871 56.100 0.080 0.000 1.048 1434 R CB 0.496 30.836 30.300 0.066 0.000 1.182 1434 R HN 0.008 nan 8.270 nan 0.000 0.544 1435 R N 1.923 122.477 120.500 0.091 0.000 2.202 1435 R HA 0.113 4.455 4.340 0.003 0.000 0.334 1435 R C 0.359 176.719 176.300 0.101 0.000 1.036 1435 R CA -0.030 56.126 56.100 0.093 0.000 0.878 1435 R CB 0.616 30.975 30.300 0.099 0.000 1.067 1435 R HN 0.011 nan 8.270 nan 0.000 0.457 1436 L N 3.141 124.416 121.223 0.086 0.000 2.920 1436 L HA 0.292 4.633 4.340 0.003 0.000 0.257 1436 L C -0.558 176.354 176.870 0.070 0.000 1.150 1436 L CA 0.505 55.390 54.840 0.074 0.000 0.959 1436 L CB 0.899 42.992 42.059 0.056 0.000 1.321 1436 L HN 0.762 nan 8.230 nan 0.000 0.555 1437 T N -2.513 112.091 114.554 0.083 0.000 2.896 1437 T HA 0.666 5.017 4.350 0.003 0.000 0.297 1437 T C -2.806 171.973 174.700 0.133 0.000 1.108 1437 T CA -1.512 60.639 62.100 0.085 0.000 1.004 1437 T CB 1.599 70.504 68.868 0.062 0.000 1.159 1437 T HN -0.062 nan 8.240 nan 0.000 0.499 1438 P HA 0.000 nan 4.420 nan 0.000 0.216 1438 P CA 0.000 63.161 63.100 0.102 0.000 0.800 1438 P CB 0.000 31.801 31.700 0.168 0.000 0.726