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 2j4u_1_Q DATA FIRST_RESID 1001 DATA SEQUENCE AEVYNKDGNK LDLYGKVDGL HYFSDNKDVD GDQTYMRLGF KGETQVTDQL DATA SEQUENCE TGYGQWEYQI QGNSAENENN SWTRVAFAGL KFQDVGSFDY GRNYGVVYDV DATA SEQUENCE TSWTDVLPEF GGDTYGSDNF MQQRGNGFAT YRNTDFFGLV DGLNFAVQYQ DATA SEQUENCE GKNGNPSGEG FTSGVTNNGR DXXXXXXXXX GGSITYDYEG FGIGGAISSS DATA SEQUENCE KRTDAQNTAA YIGNGDRAET YTGGLKYDAN NIYLAAQYTQ TYNATRVGSL DATA SEQUENCE GWANKAQNFE AVAQYQFDFG LRPSLAYLQS KGKNLGRGYD DEDILKYVDV DATA SEQUENCE GATYYFNKNM STYVDYKINL LDDNQFTRDA GINTDNIVAL GLVYQF 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 A HA 0.000 nan 4.320 nan 0.000 0.244 1001 A C 0.000 177.697 177.584 0.188 0.000 1.274 1001 A CA 0.000 52.175 52.037 0.231 0.000 0.836 1001 A CB 0.000 19.196 19.000 0.327 0.000 0.831 1002 E N 2.367 122.638 120.200 0.119 0.000 1.800 1002 E HA 0.298 4.648 4.350 -0.000 0.000 0.262 1002 E C 0.775 177.441 176.600 0.110 0.000 1.219 1002 E CA 0.188 56.649 56.400 0.103 0.000 1.051 1002 E CB -0.456 29.279 29.700 0.057 0.000 1.074 1002 E HN 1.175 nan 8.360 nan 0.000 0.433 1003 V N 2.599 122.602 119.914 0.147 0.000 2.214 1003 V HA -0.032 4.088 4.120 -0.000 0.000 0.132 1003 V C 1.092 177.277 176.094 0.150 0.000 0.813 1003 V CA 0.171 62.560 62.300 0.148 0.000 1.369 1003 V CB -1.012 30.912 31.823 0.168 0.000 0.817 1003 V HN 0.632 nan 8.190 nan 0.000 0.415 1004 Y N 2.979 123.300 120.300 0.035 0.000 3.073 1004 Y HA 0.077 4.627 4.550 -0.000 0.000 0.343 1004 Y C 0.578 176.492 175.900 0.023 0.000 1.274 1004 Y CA 1.806 59.918 58.100 0.020 0.000 1.554 1004 Y CB -0.059 38.403 38.460 0.004 0.000 1.250 1004 Y HN 0.858 nan 8.280 nan 0.000 0.622 1005 N N 4.769 123.246 118.700 -0.371 0.000 3.153 1005 N HA 0.125 4.865 4.740 -0.000 0.000 0.208 1005 N C -2.082 173.184 175.510 -0.407 0.000 1.462 1005 N CA -0.647 52.245 53.050 -0.263 0.000 0.754 1005 N CB 0.417 38.846 38.487 -0.096 0.000 1.558 1005 N HN 0.671 nan 8.380 nan 0.000 0.605 1006 K N 1.970 122.054 120.400 -0.528 0.000 2.535 1006 K HA 0.279 4.599 4.320 -0.000 0.000 0.250 1006 K C -1.217 175.289 176.600 -0.156 0.000 0.948 1006 K CA -0.514 55.529 56.287 -0.407 0.000 0.796 1006 K CB 0.973 33.064 32.500 -0.682 0.000 1.216 1006 K HN 0.475 nan 8.250 nan 0.000 0.432 1007 D N 3.478 123.829 120.400 -0.081 0.000 3.688 1007 D HA -0.250 4.390 4.640 -0.000 0.000 0.214 1007 D C 0.591 176.898 176.300 0.012 0.000 1.071 1007 D CA 1.501 55.491 54.000 -0.018 0.000 1.124 1007 D CB -1.209 39.593 40.800 0.003 0.000 0.760 1007 D HN 0.918 nan 8.370 nan 0.000 0.383 1008 G N 3.714 112.520 108.800 0.010 0.000 5.359 1008 G HA2 -0.475 3.485 3.960 -0.000 0.000 0.333 1008 G HA3 -0.475 3.485 3.960 -0.000 0.000 0.333 1008 G C 0.316 175.240 174.900 0.039 0.000 1.365 1008 G CA 0.609 45.725 45.100 0.028 0.000 1.008 1008 G HN 1.053 nan 8.290 nan 0.000 0.816 1009 N N 2.129 120.868 118.700 0.064 0.000 2.315 1009 N HA 0.207 4.947 4.740 -0.000 0.000 0.270 1009 N C -0.212 175.366 175.510 0.113 0.000 1.329 1009 N CA 1.412 54.524 53.050 0.103 0.000 0.860 1009 N CB 0.013 38.589 38.487 0.147 0.000 1.095 1009 N HN 0.755 nan 8.380 nan 0.000 0.487 1010 K N 3.193 123.660 120.400 0.111 0.000 2.468 1010 K HA 0.481 4.801 4.320 -0.000 0.000 0.252 1010 K C -0.965 175.720 176.600 0.141 0.000 0.932 1010 K CA -0.736 55.619 56.287 0.114 0.000 0.794 1010 K CB 1.828 34.359 32.500 0.052 0.000 1.241 1010 K HN 0.241 nan 8.250 nan 0.000 0.428 1011 L N 1.488 122.814 121.223 0.172 0.000 2.334 1011 L HA 0.503 4.843 4.340 -0.000 0.000 0.272 1011 L C -0.965 176.007 176.870 0.171 0.000 1.020 1011 L CA -0.665 54.273 54.840 0.162 0.000 0.812 1011 L CB 1.837 43.988 42.059 0.153 0.000 1.264 1011 L HN 0.867 nan 8.230 nan 0.000 0.439 1012 D N 3.108 123.637 120.400 0.215 0.000 2.364 1012 D HA 0.167 4.807 4.640 -0.000 0.000 0.251 1012 D C -0.919 175.582 176.300 0.336 0.000 1.282 1012 D CA -0.417 53.724 54.000 0.235 0.000 0.927 1012 D CB 0.859 41.767 40.800 0.181 0.000 1.267 1012 D HN 0.131 nan 8.370 nan 0.000 0.531 1013 L N 4.323 125.727 121.223 0.302 0.000 2.453 1013 L HA 0.279 4.619 4.340 -0.000 0.000 0.272 1013 L C -0.778 176.293 176.870 0.334 0.000 1.182 1013 L CA 0.311 55.346 54.840 0.325 0.000 0.858 1013 L CB 0.013 42.266 42.059 0.322 0.000 1.120 1013 L HN 0.543 nan 8.230 nan 0.000 0.474 1014 Y N 2.636 122.933 120.300 -0.005 0.000 2.656 1014 Y HA 0.789 5.339 4.550 -0.000 0.000 0.334 1014 Y C -0.449 174.825 175.900 -1.043 0.000 1.179 1014 Y CA -0.316 57.395 58.100 -0.648 0.000 1.050 1014 Y CB 1.515 39.757 38.460 -0.362 0.000 1.308 1014 Y HN 0.774 nan 8.280 nan 0.000 0.456 1015 G N 1.359 109.346 108.800 -1.355 0.000 2.317 1015 G HA2 0.525 4.485 3.960 -0.000 0.000 0.293 1015 G HA3 0.525 4.485 3.960 -0.000 0.000 0.293 1015 G C -2.288 172.437 174.900 -0.292 0.000 1.287 1015 G CA -0.782 43.913 45.100 -0.675 0.000 0.850 1015 G HN 1.138 nan 8.290 nan 0.000 0.515 1016 K N -1.955 118.483 120.400 0.064 0.000 2.610 1016 K HA 0.727 5.047 4.320 -0.000 0.000 0.278 1016 K C -1.675 174.972 176.600 0.080 0.000 0.964 1016 K CA -0.927 55.456 56.287 0.160 0.000 0.859 1016 K CB 1.885 34.398 32.500 0.023 0.000 1.434 1016 K HN 0.737 nan 8.250 nan 0.000 0.410 1017 V N 1.212 121.196 119.914 0.117 0.000 2.555 1017 V HA 0.525 4.645 4.120 -0.000 0.000 0.302 1017 V C -1.271 174.786 176.094 -0.062 0.000 1.038 1017 V CA -0.379 61.904 62.300 -0.028 0.000 0.887 1017 V CB 1.824 33.656 31.823 0.015 0.000 0.991 1017 V HN 0.903 nan 8.190 nan 0.000 0.434 1018 D N 3.121 123.393 120.400 -0.212 0.000 2.620 1018 D HA 0.465 5.105 4.640 -0.000 0.000 0.252 1018 D C -0.118 176.172 176.300 -0.017 0.000 1.207 1018 D CA -0.191 53.728 54.000 -0.135 0.000 0.884 1018 D CB 2.122 42.673 40.800 -0.415 0.000 1.262 1018 D HN 0.694 nan 8.370 nan 0.000 0.552 1019 G N 3.837 112.664 108.800 0.044 0.000 2.415 1019 G HA2 0.544 4.504 3.960 -0.000 0.000 0.317 1019 G HA3 0.544 4.504 3.960 -0.000 0.000 0.317 1019 G C -0.815 174.123 174.900 0.064 0.000 1.152 1019 G CA -0.476 44.650 45.100 0.043 0.000 0.956 1019 G HN 0.458 nan 8.290 nan 0.000 0.458 1020 L N 2.654 123.936 121.223 0.097 0.000 2.455 1020 L HA 0.644 4.984 4.340 -0.000 0.000 0.264 1020 L C -1.766 175.170 176.870 0.110 0.000 0.968 1020 L CA -0.909 54.011 54.840 0.134 0.000 0.827 1020 L CB 2.727 44.925 42.059 0.231 0.000 1.317 1020 L HN 0.710 nan 8.230 nan 0.000 0.407 1021 H N 2.756 121.839 119.070 0.022 0.000 2.895 1021 H HA 0.593 5.149 4.556 -0.000 0.000 0.373 1021 H C -1.873 173.488 175.328 0.055 0.000 1.174 1021 H CA -0.282 55.710 56.048 -0.093 0.000 1.144 1021 H CB 2.031 31.669 29.762 -0.206 0.000 1.793 1021 H HN 0.419 nan 8.280 nan 0.000 0.551 1022 Y N 3.408 123.335 120.300 -0.622 0.000 2.338 1022 Y HA 0.321 4.871 4.550 -0.000 0.000 0.333 1022 Y C -1.275 174.339 175.900 -0.478 0.000 0.968 1022 Y CA -1.268 56.635 58.100 -0.329 0.000 1.123 1022 Y CB 0.776 39.120 38.460 -0.193 0.000 1.165 1022 Y HN 0.475 nan 8.280 nan 0.000 0.452 1023 F N 1.699 121.800 119.950 0.251 0.000 2.436 1023 F HA 0.679 5.206 4.527 -0.000 0.000 0.340 1023 F C 0.408 176.269 175.800 0.101 0.000 1.113 1023 F CA -0.636 57.469 58.000 0.175 0.000 1.022 1023 F CB 2.031 41.118 39.000 0.146 0.000 1.128 1023 F HN 0.289 nan 8.300 nan 0.000 0.466 1024 S N 1.134 116.979 115.700 0.243 0.000 2.542 1024 S HA 0.191 4.661 4.470 -0.000 0.000 0.276 1024 S C -0.142 174.522 174.600 0.107 0.000 1.148 1024 S CA -0.717 57.566 58.200 0.137 0.000 0.886 1024 S CB 1.219 64.474 63.200 0.093 0.000 1.109 1024 S HN 0.642 nan 8.310 nan 0.000 0.458 1025 D N 1.683 122.128 120.400 0.076 0.000 2.310 1025 D HA -0.030 4.610 4.640 -0.000 0.000 0.212 1025 D C 0.531 176.857 176.300 0.044 0.000 0.965 1025 D CA 0.748 54.784 54.000 0.060 0.000 0.879 1025 D CB -0.048 40.779 40.800 0.046 0.000 0.921 1025 D HN 0.461 nan 8.370 nan 0.000 0.510 1026 N N 1.631 120.352 118.700 0.035 0.000 2.605 1026 N HA -0.045 4.695 4.740 -0.000 0.000 0.258 1026 N C -0.052 175.472 175.510 0.024 0.000 1.156 1026 N CA 0.039 53.101 53.050 0.020 0.000 1.008 1026 N CB 0.054 38.542 38.487 0.002 0.000 1.354 1026 N HN -0.044 nan 8.380 nan 0.000 0.509 1027 K N 1.709 122.121 120.400 0.021 0.000 3.077 1027 K HA -0.053 4.267 4.320 -0.000 0.000 0.269 1027 K C -0.316 176.285 176.600 0.002 0.000 0.973 1027 K CA 0.274 56.571 56.287 0.018 0.000 1.162 1027 K CB 0.267 32.780 32.500 0.022 0.000 1.079 1027 K HN 0.441 nan 8.250 nan 0.000 0.456 1028 D N -1.019 119.382 120.400 0.001 0.000 2.460 1028 D HA -0.048 4.592 4.640 -0.000 0.000 0.263 1028 D C 0.913 177.207 176.300 -0.010 0.000 1.209 1028 D CA 0.079 54.072 54.000 -0.012 0.000 0.818 1028 D CB 0.931 41.723 40.800 -0.013 0.000 1.239 1028 D HN 0.058 nan 8.370 nan 0.000 0.530 1029 V N -2.439 117.486 119.914 0.018 0.000 3.548 1029 V HA 0.358 4.478 4.120 -0.000 0.000 0.279 1029 V C 0.380 176.513 176.094 0.065 0.000 1.446 1029 V CA -0.377 61.964 62.300 0.068 0.000 1.023 1029 V CB 0.147 32.068 31.823 0.163 0.000 0.820 1029 V HN -0.137 nan 8.190 nan 0.000 0.438 1030 D N 1.419 121.832 120.400 0.023 0.000 2.488 1030 D HA 0.437 5.077 4.640 -0.000 0.000 0.238 1030 D C 1.039 177.253 176.300 -0.142 0.000 1.138 1030 D CA 2.604 56.598 54.000 -0.010 0.000 0.873 1030 D CB 0.704 41.515 40.800 0.017 0.000 1.183 1030 D HN 0.776 nan 8.370 nan 0.000 0.458 1031 G N 3.565 112.181 108.800 -0.308 0.000 2.662 1031 G HA2 -0.231 3.729 3.960 -0.000 0.000 0.236 1031 G HA3 -0.231 3.729 3.960 -0.000 0.000 0.236 1031 G C -0.472 173.752 174.900 -1.126 0.000 1.212 1031 G CA -0.043 44.654 45.100 -0.672 0.000 0.968 1031 G HN 0.741 nan 8.290 nan 0.000 0.576 1032 D N 1.302 121.351 120.400 -0.586 0.000 2.317 1032 D HA 0.566 5.206 4.640 -0.000 0.000 0.252 1032 D C 0.801 176.909 176.300 -0.320 0.000 1.174 1032 D CA 0.032 53.798 54.000 -0.390 0.000 0.866 1032 D CB 0.836 41.561 40.800 -0.125 0.000 1.127 1032 D HN 0.276 nan 8.370 nan 0.000 0.467 1033 Q N 2.360 121.969 119.800 -0.318 0.000 2.165 1033 Q HA 0.143 4.482 4.340 -0.000 0.000 0.245 1033 Q C -0.224 175.737 176.000 -0.065 0.000 0.841 1033 Q CA -0.221 55.401 55.803 -0.302 0.000 1.078 1033 Q CB 0.404 28.776 28.738 -0.609 0.000 1.169 1033 Q HN 0.450 nan 8.270 nan 0.000 0.475 1034 T N 2.428 116.980 114.554 -0.003 0.000 2.946 1034 T HA 0.119 4.469 4.350 -0.000 0.000 0.312 1034 T C -0.074 174.735 174.700 0.182 0.000 1.066 1034 T CA 0.730 62.879 62.100 0.082 0.000 1.138 1034 T CB -0.003 68.885 68.868 0.034 0.000 1.014 1034 T HN 0.285 nan 8.240 nan 0.000 0.544 1035 Y N -0.000 120.272 120.300 -0.046 0.000 2.764 1035 Y HA 0.786 5.336 4.550 -0.000 0.000 0.331 1035 Y C -1.051 174.810 175.900 -0.066 0.000 1.280 1035 Y CA -1.842 56.209 58.100 -0.082 0.000 1.065 1035 Y CB 1.336 39.732 38.460 -0.107 0.000 1.319 1035 Y HN 0.581 nan 8.280 nan 0.000 0.453 1036 M N 1.796 121.302 119.600 -0.157 0.000 2.618 1036 M HA 0.716 5.196 4.480 -0.000 0.000 0.281 1036 M C -2.212 173.975 176.300 -0.188 0.000 1.267 1036 M CA -0.536 54.608 55.300 -0.260 0.000 0.845 1036 M CB 3.063 35.589 32.600 -0.124 0.000 1.732 1036 M HN 1.044 nan 8.290 nan 0.000 0.461 1037 R N 2.228 122.625 120.500 -0.173 0.000 2.698 1037 R HA 0.805 5.145 4.340 -0.000 0.000 0.275 1037 R C -1.042 175.147 176.300 -0.185 0.000 1.001 1037 R CA -1.011 54.963 56.100 -0.211 0.000 0.896 1037 R CB 2.174 32.343 30.300 -0.218 0.000 1.218 1037 R HN 0.821 nan 8.270 nan 0.000 0.462 1038 L N -1.645 119.442 121.223 -0.227 0.000 2.301 1038 L HA 1.032 5.372 4.340 -0.000 0.000 0.264 1038 L C -0.411 176.079 176.870 -0.634 0.000 1.016 1038 L CA -0.727 53.938 54.840 -0.292 0.000 0.821 1038 L CB 2.503 44.583 42.059 0.034 0.000 1.346 1038 L HN 0.753 nan 8.230 nan 0.000 0.429 1039 G N 0.665 108.865 108.800 -0.999 0.000 2.673 1039 G HA2 0.618 4.578 3.960 -0.000 0.000 0.292 1039 G HA3 0.618 4.578 3.960 -0.000 0.000 0.292 1039 G C -1.760 172.697 174.900 -0.738 0.000 1.450 1039 G CA -0.620 43.788 45.100 -1.152 0.000 0.837 1039 G HN 0.853 nan 8.290 nan 0.000 0.505 1040 F N -0.823 119.073 119.950 -0.090 0.000 2.561 1040 F HA 0.892 5.419 4.527 -0.000 0.000 0.321 1040 F C -0.340 175.611 175.800 0.253 0.000 1.065 1040 F CA -1.547 56.527 58.000 0.124 0.000 0.934 1040 F CB 1.900 40.987 39.000 0.145 0.000 1.215 1040 F HN 0.362 nan 8.300 nan 0.000 0.471 1041 K N 0.639 121.365 120.400 0.544 0.000 2.267 1041 K HA 0.808 5.128 4.320 -0.000 0.000 0.246 1041 K C -0.762 176.065 176.600 0.378 0.000 0.954 1041 K CA -1.224 55.269 56.287 0.344 0.000 0.824 1041 K CB 2.270 34.883 32.500 0.188 0.000 1.167 1041 K HN 1.081 nan 8.250 nan 0.000 0.431 1042 G N 1.439 110.427 108.800 0.314 0.000 2.740 1042 G HA2 0.416 4.376 3.960 -0.000 0.000 0.296 1042 G HA3 0.416 4.376 3.960 -0.000 0.000 0.296 1042 G C -1.530 173.494 174.900 0.207 0.000 1.439 1042 G CA -0.558 44.681 45.100 0.232 0.000 1.066 1042 G HN 0.532 nan 8.290 nan 0.000 0.527 1043 E N 0.670 120.963 120.200 0.155 0.000 2.275 1043 E HA 0.522 4.872 4.350 -0.000 0.000 0.270 1043 E C -1.168 175.500 176.600 0.113 0.000 0.882 1043 E CA -0.915 55.575 56.400 0.149 0.000 0.758 1043 E CB 2.733 32.502 29.700 0.115 0.000 1.195 1043 E HN 0.361 nan 8.360 nan 0.000 0.419 1044 T N 1.525 116.143 114.554 0.106 0.000 2.855 1044 T HA 0.313 4.663 4.350 -0.000 0.000 0.281 1044 T C -1.151 173.594 174.700 0.074 0.000 1.007 1044 T CA -0.688 61.461 62.100 0.082 0.000 1.009 1044 T CB 1.132 70.041 68.868 0.070 0.000 0.983 1044 T HN 0.529 nan 8.240 nan 0.000 0.455 1045 Q N 3.537 123.374 119.800 0.061 0.000 2.325 1045 Q HA 0.555 4.895 4.340 -0.000 0.000 0.262 1045 Q C -0.308 175.722 176.000 0.050 0.000 0.968 1045 Q CA -0.733 55.103 55.803 0.056 0.000 0.877 1045 Q CB 1.529 30.296 28.738 0.047 0.000 1.253 1045 Q HN 0.372 nan 8.270 nan 0.000 0.448 1046 V N 1.716 121.660 119.914 0.051 0.000 3.506 1046 V HA 0.182 4.302 4.120 -0.000 0.000 0.263 1046 V C 0.625 176.750 176.094 0.051 0.000 1.203 1046 V CA 1.037 63.366 62.300 0.049 0.000 1.133 1046 V CB -0.155 31.697 31.823 0.049 0.000 0.802 1046 V HN 0.993 nan 8.190 nan 0.000 0.459 1047 T N -1.756 112.829 114.554 0.053 0.000 2.674 1047 T HA 0.111 4.461 4.350 -0.000 0.000 0.260 1047 T C -0.799 173.934 174.700 0.054 0.000 2.030 1047 T CA 0.186 62.318 62.100 0.055 0.000 0.930 1047 T CB 0.644 69.552 68.868 0.068 0.000 2.225 1047 T HN 0.158 nan 8.240 nan 0.000 0.386 1048 D N -0.225 120.211 120.400 0.059 0.000 2.461 1048 D HA 0.098 4.738 4.640 -0.000 0.000 0.266 1048 D C 1.586 177.926 176.300 0.068 0.000 1.085 1048 D CA 0.292 54.325 54.000 0.055 0.000 0.887 1048 D CB 0.282 41.110 40.800 0.047 0.000 1.309 1048 D HN 0.515 nan 8.370 nan 0.000 0.498 1049 Q N 0.499 120.349 119.800 0.083 0.000 2.016 1049 Q HA -0.046 4.294 4.340 -0.000 0.000 0.200 1049 Q C 0.591 176.665 176.000 0.123 0.000 0.978 1049 Q CA 0.930 56.800 55.803 0.111 0.000 0.833 1049 Q CB 0.328 29.145 28.738 0.131 0.000 0.895 1049 Q HN 0.106 nan 8.270 nan 0.000 0.427 1050 L N 1.544 122.836 121.223 0.115 0.000 2.307 1050 L HA 0.472 4.812 4.340 -0.000 0.000 0.284 1050 L C -1.204 175.701 176.870 0.060 0.000 1.023 1050 L CA -0.204 54.695 54.840 0.099 0.000 0.810 1050 L CB 1.897 44.028 42.059 0.120 0.000 1.231 1050 L HN 0.309 nan 8.230 nan 0.000 0.423 1051 T N 3.101 117.677 114.554 0.037 0.000 2.971 1051 T HA 0.643 4.992 4.350 -0.000 0.000 0.304 1051 T C -0.224 174.524 174.700 0.079 0.000 1.038 1051 T CA -0.249 61.889 62.100 0.063 0.000 1.007 1051 T CB 1.453 70.366 68.868 0.075 0.000 1.055 1051 T HN 0.785 nan 8.240 nan 0.000 0.451 1052 G N 2.499 111.346 108.800 0.079 0.000 2.502 1052 G HA2 0.729 4.689 3.960 -0.000 0.000 0.305 1052 G HA3 0.729 4.689 3.960 -0.000 0.000 0.305 1052 G C -1.328 173.694 174.900 0.205 0.000 1.190 1052 G CA -0.719 44.413 45.100 0.053 0.000 0.933 1052 G HN 1.087 nan 8.290 nan 0.000 0.503 1053 Y N -2.571 117.766 120.300 0.062 0.000 2.662 1053 Y HA 0.684 5.234 4.550 -0.000 0.000 0.334 1053 Y C -0.262 175.715 175.900 0.128 0.000 1.185 1053 Y CA -1.095 57.060 58.100 0.093 0.000 1.074 1053 Y CB 0.975 39.490 38.460 0.092 0.000 1.330 1053 Y HN 1.013 nan 8.280 nan 0.000 0.458 1054 G N 0.895 109.926 108.800 0.385 0.000 2.690 1054 G HA2 0.566 4.526 3.960 -0.000 0.000 0.293 1054 G HA3 0.566 4.526 3.960 -0.000 0.000 0.293 1054 G C -2.425 172.555 174.900 0.134 0.000 1.399 1054 G CA -0.994 44.265 45.100 0.265 0.000 0.890 1054 G HN 0.861 nan 8.290 nan 0.000 0.485 1055 Q N -0.424 119.203 119.800 -0.289 0.000 2.353 1055 Q HA 0.502 4.842 4.340 -0.000 0.000 0.275 1055 Q C -2.427 173.207 176.000 -0.611 0.000 1.029 1055 Q CA -0.867 54.657 55.803 -0.466 0.000 0.848 1055 Q CB 2.799 31.242 28.738 -0.491 0.000 1.390 1055 Q HN 0.624 nan 8.270 nan 0.000 0.401 1056 W N 3.886 124.673 121.300 -0.855 0.000 2.884 1056 W HA 0.507 5.167 4.660 -0.000 0.000 0.336 1056 W C -1.763 174.447 176.519 -0.515 0.000 1.038 1056 W CA -0.216 56.653 57.345 -0.793 0.000 1.247 1056 W CB 1.357 30.048 29.460 -1.283 0.000 1.351 1056 W HN 0.647 nan 8.180 nan 0.000 0.446 1057 E N 4.512 124.119 120.200 -0.989 0.000 2.293 1057 E HA 0.440 4.790 4.350 -0.000 0.000 0.270 1057 E C -2.293 173.797 176.600 -0.851 0.000 0.879 1057 E CA -0.955 54.944 56.400 -0.834 0.000 0.756 1057 E CB 2.525 32.052 29.700 -0.287 0.000 1.208 1057 E HN 0.395 nan 8.360 nan 0.000 0.428 1058 Y N 2.453 122.171 120.300 -0.970 0.000 2.299 1058 Y HA 0.184 4.734 4.550 -0.000 0.000 0.318 1058 Y C -1.494 174.052 175.900 -0.590 0.000 1.205 1058 Y CA -0.484 57.122 58.100 -0.823 0.000 1.106 1058 Y CB 1.433 39.216 38.460 -1.128 0.000 1.246 1058 Y HN 0.529 nan 8.280 nan 0.000 0.415 1059 Q N 5.750 124.863 119.800 -1.145 0.000 2.257 1059 Q HA 0.771 5.111 4.340 -0.000 0.000 0.262 1059 Q C -1.405 173.849 176.000 -1.244 0.000 0.997 1059 Q CA -0.898 54.312 55.803 -0.989 0.000 0.873 1059 Q CB 1.588 29.715 28.738 -1.018 0.000 1.312 1059 Q HN 0.717 nan 8.270 nan 0.000 0.450 1060 I N 3.005 123.133 120.570 -0.737 0.000 2.548 1060 I HA 0.197 4.367 4.170 -0.000 0.000 0.287 1060 I C -0.494 175.430 176.117 -0.321 0.000 1.103 1060 I CA -0.955 60.011 61.300 -0.557 0.000 1.049 1060 I CB 1.746 39.568 38.000 -0.296 0.000 1.232 1060 I HN 0.532 nan 8.210 nan 0.000 0.429 1061 Q N 3.614 123.261 119.800 -0.255 0.000 2.395 1061 Q HA 0.224 4.564 4.340 -0.000 0.000 0.271 1061 Q C 0.865 176.840 176.000 -0.041 0.000 1.026 1061 Q CA 0.210 55.966 55.803 -0.080 0.000 0.900 1061 Q CB 1.289 30.021 28.738 -0.011 0.000 1.266 1061 Q HN 0.960 nan 8.270 nan 0.000 0.430 1062 G N 1.398 110.198 108.800 0.001 0.000 4.238 1062 G HA2 -0.007 3.953 3.960 -0.000 0.000 0.292 1062 G HA3 -0.007 3.953 3.960 -0.000 0.000 0.292 1062 G C 0.190 175.089 174.900 -0.002 0.000 1.036 1062 G CA -0.361 44.734 45.100 -0.007 0.000 0.812 1062 G HN 0.603 nan 8.290 nan 0.000 0.489 1063 N N 0.225 118.920 118.700 -0.008 0.000 2.338 1063 N HA 0.130 4.870 4.740 -0.000 0.000 0.251 1063 N C 0.164 175.660 175.510 -0.022 0.000 1.199 1063 N CA 0.098 53.136 53.050 -0.021 0.000 0.879 1063 N CB 0.447 38.906 38.487 -0.047 0.000 1.159 1063 N HN 0.217 nan 8.380 nan 0.000 0.514 1064 S N -1.114 114.578 115.700 -0.013 0.000 2.697 1064 S HA 0.840 5.310 4.470 -0.000 0.000 0.289 1064 S C -0.707 173.890 174.600 -0.005 0.000 1.149 1064 S CA -0.696 57.498 58.200 -0.010 0.000 0.850 1064 S CB 1.420 64.615 63.200 -0.008 0.000 1.151 1064 S HN 0.323 nan 8.310 nan 0.000 0.491 1065 A N 0.417 123.235 122.820 -0.003 0.000 2.340 1065 A HA 0.461 4.781 4.320 -0.000 0.000 0.268 1065 A C 0.806 178.391 177.584 0.001 0.000 1.100 1065 A CA -0.411 51.625 52.037 -0.001 0.000 0.803 1065 A CB -0.444 18.556 19.000 -0.000 0.000 1.043 1065 A HN 0.969 nan 8.150 nan 0.000 0.488 1066 E N 0.965 121.166 120.200 0.001 0.000 2.444 1066 E HA -0.224 4.125 4.350 -0.000 0.000 0.204 1066 E C 0.937 177.541 176.600 0.006 0.000 1.049 1066 E CA 0.935 57.337 56.400 0.004 0.000 0.872 1066 E CB -0.091 29.611 29.700 0.002 0.000 0.791 1066 E HN 0.665 nan 8.360 nan 0.000 0.548 1067 N N 0.731 119.434 118.700 0.005 0.000 2.430 1067 N HA -0.186 4.554 4.740 -0.000 0.000 0.186 1067 N C 1.041 176.557 175.510 0.010 0.000 1.032 1067 N CA 1.059 54.113 53.050 0.006 0.000 0.893 1067 N CB 0.216 38.706 38.487 0.004 0.000 0.957 1067 N HN 0.330 nan 8.380 nan 0.000 0.442 1068 E N -1.517 118.690 120.200 0.012 0.000 2.713 1068 E HA -0.006 4.344 4.350 -0.000 0.000 0.199 1068 E C 0.223 176.836 176.600 0.022 0.000 0.940 1068 E CA 0.115 56.524 56.400 0.015 0.000 1.310 1068 E CB -0.004 29.702 29.700 0.009 0.000 1.129 1068 E HN 0.215 nan 8.360 nan 0.000 0.557 1069 N N 1.412 120.126 118.700 0.024 0.000 1.997 1069 N HA -0.342 4.398 4.740 -0.000 0.000 0.208 1069 N C 0.866 176.405 175.510 0.047 0.000 1.299 1069 N CA 2.346 55.418 53.050 0.038 0.000 3.527 1069 N CB -2.478 36.035 38.487 0.042 0.000 0.748 1069 N HN 0.430 nan 8.380 nan 0.000 0.365 1070 N N 1.994 120.723 118.700 0.047 0.000 2.019 1070 N HA -0.246 4.494 4.740 -0.000 0.000 0.198 1070 N C 0.534 176.113 175.510 0.115 0.000 1.065 1070 N CA 3.423 56.522 53.050 0.082 0.000 0.881 1070 N CB -0.982 37.556 38.487 0.085 0.000 1.079 1070 N HN 1.399 nan 8.380 nan 0.000 0.460 1071 S N -0.905 114.821 115.700 0.044 0.000 3.828 1071 S HA -0.172 4.298 4.470 -0.000 0.000 0.853 1071 S C -0.383 174.208 174.600 -0.014 0.000 1.181 1071 S CA 0.793 58.854 58.200 -0.233 0.000 1.026 1071 S CB -1.943 61.075 63.200 -0.305 0.000 1.377 1071 S HN 0.712 nan 8.310 nan 0.000 0.295 1072 W N 1.516 122.643 121.300 -0.288 0.000 3.017 1072 W HA 0.779 5.438 4.660 -0.000 0.000 0.341 1072 W C -0.468 176.045 176.519 -0.011 0.000 1.180 1072 W CA -0.766 56.548 57.345 -0.051 0.000 1.097 1072 W CB 0.336 29.758 29.460 -0.063 0.000 1.468 1072 W HN 0.553 nan 8.180 nan 0.000 0.584 1073 T N 2.114 117.023 114.554 0.592 0.000 2.794 1073 T HA 0.206 4.556 4.350 -0.000 0.000 0.296 1073 T C 0.872 175.745 174.700 0.288 0.000 0.949 1073 T CA -0.248 62.150 62.100 0.496 0.000 1.101 1073 T CB 0.999 70.087 68.868 0.368 0.000 0.905 1073 T HN 0.499 nan 8.240 nan 0.000 0.516 1074 R N 2.155 122.713 120.500 0.097 0.000 2.105 1074 R HA 0.369 4.709 4.340 -0.000 0.000 0.214 1074 R C 0.117 176.431 176.300 0.023 0.000 1.091 1074 R CA 0.325 56.464 56.100 0.065 0.000 1.007 1074 R CB 0.479 30.772 30.300 -0.011 0.000 0.912 1074 R HN 0.400 nan 8.270 nan 0.000 0.450 1075 V N -0.741 119.156 119.914 -0.029 0.000 3.000 1075 V HA 0.657 4.777 4.120 -0.000 0.000 0.300 1075 V C -1.988 174.106 176.094 -0.000 0.000 1.251 1075 V CA -0.628 61.714 62.300 0.070 0.000 0.972 1075 V CB 2.138 34.060 31.823 0.165 0.000 1.065 1075 V HN 0.126 nan 8.190 nan 0.000 0.431 1076 A N 5.650 128.541 122.820 0.118 0.000 2.541 1076 A HA 0.839 5.159 4.320 -0.000 0.000 0.285 1076 A C -1.322 176.354 177.584 0.153 0.000 1.058 1076 A CA -0.329 51.757 52.037 0.081 0.000 0.886 1076 A CB 0.667 19.813 19.000 0.243 0.000 1.411 1076 A HN 1.772 nan 8.150 nan 0.000 0.403 1077 F N -0.231 119.756 119.950 0.061 0.000 2.713 1077 F HA 0.937 5.464 4.527 -0.000 0.000 0.311 1077 F C -0.339 175.483 175.800 0.037 0.000 1.141 1077 F CA -0.849 57.160 58.000 0.016 0.000 0.939 1077 F CB 1.100 40.091 39.000 -0.015 0.000 1.325 1077 F HN 0.974 nan 8.300 nan 0.000 0.453 1078 A N 0.519 123.495 122.820 0.261 0.000 2.401 1078 A HA 1.015 5.335 4.320 -0.000 0.000 0.310 1078 A C -0.449 177.054 177.584 -0.134 0.000 1.075 1078 A CA -0.289 51.783 52.037 0.058 0.000 0.746 1078 A CB 1.327 20.352 19.000 0.041 0.000 1.277 1078 A HN 1.917 nan 8.150 nan 0.000 0.425 1079 G N -0.602 107.788 108.800 -0.684 0.000 2.706 1079 G HA2 0.602 4.562 3.960 -0.000 0.000 0.307 1079 G HA3 0.602 4.562 3.960 -0.000 0.000 0.307 1079 G C -2.284 172.040 174.900 -0.960 0.000 1.307 1079 G CA -0.486 44.126 45.100 -0.813 0.000 0.790 1079 G HN 0.750 nan 8.290 nan 0.000 0.503 1080 L N 0.005 120.917 121.223 -0.518 0.000 2.431 1080 L HA 0.635 4.975 4.340 -0.000 0.000 0.266 1080 L C -0.459 176.269 176.870 -0.237 0.000 0.978 1080 L CA -0.860 53.760 54.840 -0.367 0.000 0.822 1080 L CB 2.208 43.923 42.059 -0.574 0.000 1.310 1080 L HN 0.585 nan 8.230 nan 0.000 0.409 1081 K N 2.057 122.406 120.400 -0.086 0.000 2.394 1081 K HA 0.436 4.756 4.320 -0.000 0.000 0.260 1081 K C 0.055 176.638 176.600 -0.028 0.000 0.967 1081 K CA -0.289 56.028 56.287 0.050 0.000 0.855 1081 K CB 0.902 33.468 32.500 0.110 0.000 1.101 1081 K HN 0.334 nan 8.250 nan 0.000 0.433 1082 F N 2.332 122.377 119.950 0.159 0.000 2.219 1082 F HA -0.098 4.429 4.527 -0.000 0.000 0.294 1082 F C 1.704 177.570 175.800 0.110 0.000 1.086 1082 F CA 1.173 59.257 58.000 0.139 0.000 1.330 1082 F CB 0.234 39.332 39.000 0.164 0.000 1.047 1082 F HN 0.773 nan 8.300 nan 0.000 0.495 1083 Q N -2.351 117.605 119.800 0.260 0.000 7.950 1083 Q HA -0.145 4.195 4.340 -0.000 0.000 0.369 1083 Q C 0.514 176.604 176.000 0.149 0.000 0.946 1083 Q CA 0.957 56.859 55.803 0.166 0.000 0.540 1083 Q CB -1.076 27.752 28.738 0.149 0.000 0.156 1083 Q HN 0.111 nan 8.270 nan 0.000 0.899 1084 D N 0.826 121.334 120.400 0.179 0.000 2.429 1084 D HA 0.140 4.780 4.640 -0.000 0.000 0.242 1084 D C 1.931 178.411 176.300 0.299 0.000 1.076 1084 D CA 1.606 55.731 54.000 0.207 0.000 0.955 1084 D CB 0.051 40.963 40.800 0.187 0.000 1.076 1084 D HN 0.135 nan 8.370 nan 0.000 0.448 1085 V N 0.946 121.060 119.914 0.332 0.000 2.256 1085 V HA -0.156 3.964 4.120 -0.000 0.000 0.256 1085 V C 1.561 177.948 176.094 0.488 0.000 1.060 1085 V CA 2.072 64.631 62.300 0.432 0.000 1.081 1085 V CB -1.287 30.698 31.823 0.270 0.000 0.709 1085 V HN 0.565 nan 8.190 nan 0.000 0.471 1086 G N -1.553 107.474 108.800 0.379 0.000 2.356 1086 G HA2 0.430 4.390 3.960 -0.000 0.000 0.288 1086 G HA3 0.430 4.390 3.960 -0.000 0.000 0.288 1086 G C -0.716 174.298 174.900 0.189 0.000 1.302 1086 G CA -0.011 45.134 45.100 0.075 0.000 0.887 1086 G HN 1.166 nan 8.290 nan 0.000 0.521 1087 S N -1.248 114.425 115.700 -0.046 0.000 2.651 1087 S HA 0.874 5.344 4.470 -0.000 0.000 0.291 1087 S C -0.952 173.828 174.600 0.301 0.000 1.141 1087 S CA -0.564 57.718 58.200 0.136 0.000 1.027 1087 S CB 2.076 65.324 63.200 0.080 0.000 1.043 1087 S HN 1.844 nan 8.310 nan 0.000 0.530 1088 F N 1.255 121.315 119.950 0.183 0.000 2.569 1088 F HA 0.641 5.168 4.527 -0.000 0.000 0.312 1088 F C -2.148 173.708 175.800 0.095 0.000 1.109 1088 F CA -0.643 57.482 58.000 0.209 0.000 0.919 1088 F CB 1.825 41.025 39.000 0.333 0.000 1.211 1088 F HN 0.886 nan 8.300 nan 0.000 0.446 1089 D N 3.819 123.631 120.400 -0.980 0.000 2.966 1089 D HA 0.250 4.890 4.640 -0.000 0.000 0.222 1089 D C -1.868 173.924 176.300 -0.846 0.000 1.292 1089 D CA -0.453 53.036 54.000 -0.851 0.000 0.907 1089 D CB 1.055 41.635 40.800 -0.366 0.000 1.621 1089 D HN 0.460 nan 8.370 nan 0.000 0.557 1090 Y N 2.268 122.107 120.300 -0.768 0.000 2.374 1090 Y HA 0.732 5.282 4.550 -0.000 0.000 0.322 1090 Y C 0.758 176.637 175.900 -0.034 0.000 1.275 1090 Y CA 1.056 58.979 58.100 -0.294 0.000 1.307 1090 Y CB 1.389 39.800 38.460 -0.083 0.000 1.282 1090 Y HN 0.972 nan 8.280 nan 0.000 0.509 1091 G N 2.946 111.044 108.800 -1.171 0.000 2.334 1091 G HA2 -0.014 3.946 3.960 -0.000 0.000 0.315 1091 G HA3 -0.014 3.946 3.960 -0.000 0.000 0.315 1091 G C -1.607 173.126 174.900 -0.279 0.000 1.284 1091 G CA -0.885 43.880 45.100 -0.558 0.000 0.985 1091 G HN 0.864 nan 8.290 nan 0.000 0.504 1092 R N 0.904 121.385 120.500 -0.032 0.000 2.288 1092 R HA 0.472 4.812 4.340 -0.000 0.000 0.330 1092 R C -0.301 176.124 176.300 0.210 0.000 1.069 1092 R CA -0.176 55.932 56.100 0.013 0.000 0.941 1092 R CB -0.008 30.308 30.300 0.028 0.000 0.998 1092 R HN 0.526 nan 8.270 nan 0.000 0.452 1093 N N 2.564 121.422 118.700 0.263 0.000 3.167 1093 N HA 0.243 4.983 4.740 -0.000 0.000 0.323 1093 N C -1.514 174.149 175.510 0.256 0.000 1.478 1093 N CA -0.795 52.438 53.050 0.304 0.000 0.753 1093 N CB 0.699 39.217 38.487 0.053 0.000 1.721 1093 N HN 0.367 nan 8.380 nan 0.000 0.618 1094 Y N 0.286 120.600 120.300 0.023 0.000 2.377 1094 Y HA 0.323 4.873 4.550 -0.000 0.000 0.330 1094 Y C 1.555 177.256 175.900 -0.332 0.000 1.108 1094 Y CA -0.160 57.870 58.100 -0.118 0.000 1.308 1094 Y CB 0.484 38.822 38.460 -0.203 0.000 1.216 1094 Y HN 0.428 nan 8.280 nan 0.000 0.518 1095 G N 1.365 110.033 108.800 -0.220 0.000 2.594 1095 G HA2 0.235 4.195 3.960 -0.000 0.000 0.243 1095 G HA3 0.235 4.195 3.960 -0.000 0.000 0.243 1095 G C 0.967 175.672 174.900 -0.326 0.000 1.229 1095 G CA -0.223 44.531 45.100 -0.577 0.000 0.843 1095 G HN 0.723 nan 8.290 nan 0.000 0.578 1096 V N 0.885 120.585 119.914 -0.356 0.000 2.343 1096 V HA -0.175 3.945 4.120 -0.000 0.000 0.247 1096 V C 2.805 178.806 176.094 -0.155 0.000 1.051 1096 V CA 1.501 63.677 62.300 -0.206 0.000 1.036 1096 V CB -1.204 30.524 31.823 -0.159 0.000 0.654 1096 V HN 0.411 nan 8.190 nan 0.000 0.451 1097 V N -0.194 119.634 119.914 -0.144 0.000 2.736 1097 V HA -0.315 3.805 4.120 -0.000 0.000 0.262 1097 V C 2.272 178.250 176.094 -0.193 0.000 1.114 1097 V CA 2.637 64.843 62.300 -0.158 0.000 1.133 1097 V CB -1.015 30.725 31.823 -0.139 0.000 0.703 1097 V HN 0.780 nan 8.190 nan 0.000 0.495 1098 Y N 0.684 120.828 120.300 -0.260 0.000 2.519 1098 Y HA -0.095 4.455 4.550 -0.000 0.000 0.287 1098 Y C 2.089 177.817 175.900 -0.286 0.000 1.128 1098 Y CA 1.077 59.027 58.100 -0.250 0.000 1.282 1098 Y CB 0.060 38.470 38.460 -0.083 0.000 1.027 1098 Y HN 0.401 nan 8.280 nan 0.000 0.551 1099 D N -0.465 119.754 120.400 -0.302 0.000 2.149 1099 D HA -0.186 4.454 4.640 -0.000 0.000 0.198 1099 D C 2.060 177.830 176.300 -0.884 0.000 0.990 1099 D CA 1.741 55.436 54.000 -0.509 0.000 0.839 1099 D CB -0.253 40.307 40.800 -0.400 0.000 0.948 1099 D HN 0.328 nan 8.370 nan 0.000 0.460 1100 V N 0.220 119.694 119.914 -0.733 0.000 2.922 1100 V HA -0.070 4.049 4.120 -0.000 0.000 0.242 1100 V C 2.534 178.267 176.094 -0.602 0.000 1.094 1100 V CA 1.458 63.218 62.300 -0.899 0.000 1.106 1100 V CB -0.372 31.135 31.823 -0.526 0.000 0.799 1100 V HN 0.302 nan 8.190 nan 0.000 0.474 1101 T N -0.322 113.933 114.554 -0.498 0.000 2.995 1101 T HA -0.153 4.197 4.350 -0.000 0.000 0.269 1101 T C 2.009 176.480 174.700 -0.381 0.000 1.091 1101 T CA 1.623 63.502 62.100 -0.369 0.000 1.128 1101 T CB -0.463 68.166 68.868 -0.399 0.000 0.891 1101 T HN 0.575 nan 8.240 nan 0.000 0.492 1102 S N 0.194 115.419 115.700 -0.793 0.000 2.419 1102 S HA -0.146 4.323 4.470 -0.000 0.000 0.233 1102 S C 1.771 176.315 174.600 -0.093 0.000 1.016 1102 S CA 0.694 58.458 58.200 -0.728 0.000 0.974 1102 S CB -1.542 60.948 63.200 -1.184 0.000 0.786 1102 S HN 0.812 nan 8.310 nan 0.000 0.492 1103 W N 2.554 123.745 121.300 -0.182 0.000 2.276 1103 W HA -0.235 4.425 4.660 -0.000 0.000 0.307 1103 W C 2.071 178.620 176.519 0.050 0.000 1.240 1103 W CA 1.073 58.401 57.345 -0.027 0.000 1.249 1103 W CB -0.458 28.984 29.460 -0.029 0.000 1.140 1103 W HN 0.596 nan 8.180 nan 0.000 0.519 1104 T N -4.125 110.549 114.554 0.200 0.000 3.200 1104 T HA 0.063 4.413 4.350 -0.000 0.000 0.284 1104 T C -0.580 174.173 174.700 0.088 0.000 1.009 1104 T CA -0.332 61.858 62.100 0.149 0.000 0.907 1104 T CB 0.004 68.933 68.868 0.102 0.000 1.120 1104 T HN -0.142 nan 8.240 nan 0.000 0.534 1105 D N 2.124 122.577 120.400 0.089 0.000 2.485 1105 D HA 0.369 5.009 4.640 -0.000 0.000 0.221 1105 D C 0.599 176.929 176.300 0.049 0.000 1.112 1105 D CA -0.670 53.396 54.000 0.110 0.000 0.911 1105 D CB 0.633 41.581 40.800 0.247 0.000 1.019 1105 D HN 0.244 nan 8.370 nan 0.000 0.516 1106 V N 1.352 121.260 119.914 -0.009 0.000 3.823 1106 V HA 0.241 4.361 4.120 -0.000 0.000 0.511 1106 V C 0.206 176.258 176.094 -0.070 0.000 1.722 1106 V CA -0.651 61.595 62.300 -0.089 0.000 2.032 1106 V CB -1.250 30.418 31.823 -0.258 0.000 1.128 1106 V HN 0.298 nan 8.190 nan 0.000 0.581 1107 L N 0.036 121.250 121.223 -0.014 0.000 2.453 1107 L HA 0.427 4.767 4.340 -0.000 0.000 0.261 1107 L C -0.834 175.993 176.870 -0.072 0.000 1.179 1107 L CA -1.490 53.352 54.840 0.002 0.000 0.813 1107 L CB 0.082 42.195 42.059 0.091 0.000 1.110 1107 L HN -0.013 nan 8.230 nan 0.000 0.466 1108 P HA -0.227 nan 4.420 nan 0.000 0.218 1108 P C 0.868 177.907 177.300 -0.435 0.000 1.154 1108 P CA 1.511 64.490 63.100 -0.202 0.000 0.872 1108 P CB 0.380 32.055 31.700 -0.041 0.000 0.790 1109 E N -3.245 116.743 120.200 -0.353 0.000 3.155 1109 E HA 0.110 4.460 4.350 -0.000 0.000 0.208 1109 E C 0.901 177.250 176.600 -0.418 0.000 1.060 1109 E CA -0.053 56.052 56.400 -0.492 0.000 1.522 1109 E CB -0.543 28.810 29.700 -0.579 0.000 1.433 1109 E HN -0.128 nan 8.360 nan 0.000 0.709 1110 F N 1.550 121.508 119.950 0.015 0.000 1.996 1110 F HA 0.443 4.970 4.527 -0.000 0.000 0.237 1110 F C 1.892 177.727 175.800 0.059 0.000 1.004 1110 F CA 0.873 58.884 58.000 0.018 0.000 1.200 1110 F CB -0.933 38.052 39.000 -0.025 0.000 1.887 1110 F HN 0.258 nan 8.300 nan 0.000 0.532 1111 G N -0.850 108.184 108.800 0.389 0.000 2.726 1111 G HA2 0.216 4.176 3.960 -0.000 0.000 0.261 1111 G HA3 0.216 4.176 3.960 -0.000 0.000 0.261 1111 G C 0.796 175.737 174.900 0.068 0.000 1.352 1111 G CA 0.030 45.258 45.100 0.214 0.000 0.906 1111 G HN 2.007 nan 8.290 nan 0.000 0.566 1112 G N -1.192 107.587 108.800 -0.036 0.000 2.203 1112 G HA2 -0.019 3.941 3.960 -0.000 0.000 0.263 1112 G HA3 -0.019 3.941 3.960 -0.000 0.000 0.263 1112 G C 0.390 174.895 174.900 -0.657 0.000 1.012 1112 G CA 1.341 46.308 45.100 -0.222 0.000 0.749 1112 G HN 2.202 nan 8.290 nan 0.000 0.512 1113 D N -0.480 119.664 120.400 -0.425 0.000 3.008 1113 D HA 0.277 4.917 4.640 -0.000 0.000 0.312 1113 D C 1.256 177.392 176.300 -0.274 0.000 1.361 1113 D CA 0.239 54.024 54.000 -0.359 0.000 0.858 1113 D CB -0.347 40.382 40.800 -0.119 0.000 1.098 1113 D HN 0.397 nan 8.370 nan 0.000 0.482 1114 T N -3.132 111.187 114.554 -0.392 0.000 3.092 1114 T HA 0.263 4.613 4.350 -0.000 0.000 0.258 1114 T C 0.228 174.986 174.700 0.097 0.000 1.031 1114 T CA -0.137 61.919 62.100 -0.072 0.000 0.925 1114 T CB -0.516 68.375 68.868 0.039 0.000 1.036 1114 T HN 0.314 nan 8.240 nan 0.000 0.544 1115 Y N -1.459 118.859 120.300 0.031 0.000 2.900 1115 Y HA 0.871 5.421 4.550 -0.000 0.000 0.318 1115 Y C 0.117 176.030 175.900 0.022 0.000 1.457 1115 Y CA -1.547 56.574 58.100 0.035 0.000 1.082 1115 Y CB 0.667 39.163 38.460 0.060 0.000 1.419 1115 Y HN 0.161 nan 8.280 nan 0.000 0.459 1116 G N -0.457 108.480 108.800 0.228 0.000 2.634 1116 G HA2 0.497 4.457 3.960 -0.000 0.000 0.309 1116 G HA3 0.497 4.457 3.960 -0.000 0.000 0.309 1116 G C -1.809 173.111 174.900 0.033 0.000 1.299 1116 G CA -1.038 44.089 45.100 0.045 0.000 0.798 1116 G HN 0.600 nan 8.290 nan 0.000 0.490 1117 S N 0.781 116.433 115.700 -0.080 0.000 2.541 1117 S HA 0.496 4.966 4.470 -0.000 0.000 0.283 1117 S C -0.614 173.883 174.600 -0.171 0.000 1.196 1117 S CA -0.187 57.931 58.200 -0.136 0.000 1.062 1117 S CB 0.994 64.077 63.200 -0.196 0.000 1.009 1117 S HN 0.601 nan 8.310 nan 0.000 0.502 1118 D N 2.006 122.295 120.400 -0.185 0.000 2.746 1118 D HA -0.155 4.484 4.640 -0.000 0.000 0.241 1118 D C -0.567 175.557 176.300 -0.295 0.000 1.140 1118 D CA 0.495 54.348 54.000 -0.245 0.000 0.707 1118 D CB -1.089 39.561 40.800 -0.249 0.000 1.034 1118 D HN 0.471 nan 8.370 nan 0.000 0.423 1119 N N 0.268 118.831 118.700 -0.229 0.000 2.757 1119 N HA 0.222 4.961 4.740 -0.000 0.000 0.296 1119 N C 0.484 175.960 175.510 -0.057 0.000 1.874 1119 N CA -0.461 52.457 53.050 -0.221 0.000 0.885 1119 N CB 0.015 38.500 38.487 -0.003 0.000 1.242 1119 N HN 0.079 nan 8.380 nan 0.000 0.488 1120 F N -0.061 119.884 119.950 -0.008 0.000 2.958 1120 F HA -0.431 4.096 4.527 -0.000 0.000 0.240 1120 F C 1.465 177.327 175.800 0.104 0.000 1.487 1120 F CA 1.581 59.592 58.000 0.018 0.000 1.873 1120 F CB -0.819 38.191 39.000 0.016 0.000 0.531 1120 F HN 0.239 nan 8.300 nan 0.000 0.277 1121 M N -0.243 119.598 119.600 0.401 0.000 2.484 1121 M HA 0.157 4.637 4.480 -0.000 0.000 0.307 1121 M C 1.281 177.661 176.300 0.132 0.000 1.149 1121 M CA 0.174 55.672 55.300 0.330 0.000 0.972 1121 M CB 0.530 33.253 32.600 0.206 0.000 1.400 1121 M HN 0.443 nan 8.290 nan 0.000 0.508 1122 Q N 1.007 120.887 119.800 0.134 0.000 2.084 1122 Q HA -0.032 4.307 4.340 -0.000 0.000 0.202 1122 Q C 0.896 176.877 176.000 -0.031 0.000 0.978 1122 Q CA 1.266 57.080 55.803 0.018 0.000 0.844 1122 Q CB 0.456 29.247 28.738 0.089 0.000 0.898 1122 Q HN 0.351 nan 8.270 nan 0.000 0.426 1123 Q N -0.508 119.317 119.800 0.042 0.000 2.352 1123 Q HA 0.201 4.541 4.340 -0.000 0.000 0.270 1123 Q C -1.461 174.501 176.000 -0.065 0.000 1.006 1123 Q CA -0.504 55.275 55.803 -0.039 0.000 0.880 1123 Q CB 1.632 30.454 28.738 0.141 0.000 1.392 1123 Q HN 0.205 nan 8.270 nan 0.000 0.401 1124 R N 0.432 120.782 120.500 -0.250 0.000 2.849 1124 R HA -0.117 4.223 4.340 -0.000 0.000 0.171 1124 R C -0.311 175.913 176.300 -0.127 0.000 1.246 1124 R CA 1.843 57.775 56.100 -0.280 0.000 1.112 1124 R CB -0.577 29.404 30.300 -0.531 0.000 2.877 1124 R HN 0.941 nan 8.270 nan 0.000 0.254 1125 G N 2.323 111.037 108.800 -0.143 0.000 2.320 1125 G HA2 0.198 4.158 3.960 -0.000 0.000 0.296 1125 G HA3 0.198 4.158 3.960 -0.000 0.000 0.296 1125 G C -1.598 173.021 174.900 -0.469 0.000 1.306 1125 G CA -0.809 44.115 45.100 -0.292 0.000 0.836 1125 G HN 0.609 nan 8.290 nan 0.000 0.517 1126 N N -0.598 117.825 118.700 -0.461 0.000 2.508 1126 N HA 0.508 5.248 4.740 -0.000 0.000 0.285 1126 N C 0.745 175.952 175.510 -0.506 0.000 1.144 1126 N CA 0.640 53.469 53.050 -0.369 0.000 0.978 1126 N CB 1.511 39.877 38.487 -0.202 0.000 1.180 1126 N HN 1.802 nan 8.380 nan 0.000 0.484 1127 G N 0.551 109.139 108.800 -0.353 0.000 2.248 1127 G HA2 -0.271 3.689 3.960 -0.000 0.000 0.263 1127 G HA3 -0.271 3.689 3.960 -0.000 0.000 0.263 1127 G C -0.623 174.263 174.900 -0.024 0.000 1.082 1127 G CA -0.421 44.586 45.100 -0.154 0.000 0.863 1127 G HN 0.443 nan 8.290 nan 0.000 0.495 1128 F N 0.563 120.439 119.950 -0.124 0.000 2.410 1128 F HA 0.589 5.116 4.527 -0.000 0.000 0.349 1128 F C 0.761 176.618 175.800 0.095 0.000 1.117 1128 F CA -0.421 57.578 58.000 -0.002 0.000 1.104 1128 F CB 1.799 40.743 39.000 -0.093 0.000 1.122 1128 F HN 0.344 nan 8.300 nan 0.000 0.483 1129 A N 3.137 126.291 122.820 0.556 0.000 2.258 1129 A HA 0.668 4.988 4.320 -0.000 0.000 0.316 1129 A C -0.569 177.220 177.584 0.341 0.000 1.279 1129 A CA -0.460 51.863 52.037 0.476 0.000 0.876 1129 A CB 0.530 19.962 19.000 0.719 0.000 1.170 1129 A HN 0.668 nan 8.150 nan 0.000 0.520 1130 T N 1.719 116.349 114.554 0.127 0.000 2.829 1130 T HA 0.477 4.827 4.350 -0.000 0.000 0.280 1130 T C -1.076 173.790 174.700 0.277 0.000 0.999 1130 T CA -0.161 62.007 62.100 0.114 0.000 0.983 1130 T CB 1.013 69.822 68.868 -0.097 0.000 0.968 1130 T HN 0.505 nan 8.240 nan 0.000 0.446 1131 Y N 3.366 123.757 120.300 0.152 0.000 2.328 1131 Y HA 0.591 5.140 4.550 -0.000 0.000 0.337 1131 Y C -0.233 175.642 175.900 -0.041 0.000 0.966 1131 Y CA -1.045 57.140 58.100 0.142 0.000 1.136 1131 Y CB 0.787 39.350 38.460 0.173 0.000 1.170 1131 Y HN 0.558 nan 8.280 nan 0.000 0.470 1132 R N 4.376 124.347 120.500 -0.881 0.000 2.686 1132 R HA 0.470 4.810 4.340 -0.000 0.000 0.286 1132 R C -1.599 174.072 176.300 -1.047 0.000 0.969 1132 R CA -1.219 54.353 56.100 -0.880 0.000 0.898 1132 R CB 1.713 31.745 30.300 -0.447 0.000 1.183 1132 R HN 0.640 nan 8.270 nan 0.000 0.456 1133 N N -0.203 117.927 118.700 -0.950 0.000 2.225 1133 N HA 0.268 5.008 4.740 -0.000 0.000 0.298 1133 N C -0.615 174.627 175.510 -0.447 0.000 1.076 1133 N CA -0.396 52.184 53.050 -0.783 0.000 0.792 1133 N CB 2.494 40.334 38.487 -1.079 0.000 1.498 1133 N HN 0.459 nan 8.380 nan 0.000 0.474 1134 T N 0.410 114.793 114.554 -0.286 0.000 3.111 1134 T HA 0.200 4.550 4.350 -0.000 0.000 0.236 1134 T C -1.003 173.697 174.700 -0.001 0.000 0.984 1134 T CA 0.745 62.772 62.100 -0.122 0.000 1.195 1134 T CB -0.102 68.707 68.868 -0.098 0.000 0.929 1134 T HN 0.683 nan 8.240 nan 0.000 0.431 1135 D N 0.958 121.374 120.400 0.027 0.000 2.404 1135 D HA 0.302 4.942 4.640 -0.000 0.000 0.267 1135 D C -0.665 175.757 176.300 0.202 0.000 1.194 1135 D CA -0.568 53.516 54.000 0.141 0.000 0.910 1135 D CB 0.016 40.900 40.800 0.140 0.000 1.090 1135 D HN 0.113 nan 8.370 nan 0.000 0.511 1136 F N 2.709 122.674 119.950 0.026 0.000 2.387 1136 F HA -0.334 4.193 4.527 -0.000 0.000 0.152 1136 F C -0.181 175.733 175.800 0.189 0.000 1.088 1136 F CA 0.464 58.480 58.000 0.026 0.000 0.774 1136 F CB -1.311 37.813 39.000 0.206 0.000 0.605 1136 F HN 0.490 nan 8.300 nan 0.000 0.814 1137 F N -0.734 119.261 119.950 0.074 0.000 2.926 1137 F HA -0.182 4.345 4.527 -0.000 0.000 0.288 1137 F C 1.476 177.309 175.800 0.054 0.000 0.756 1137 F CA 0.793 58.798 58.000 0.010 0.000 1.292 1137 F CB -1.607 37.328 39.000 -0.107 0.000 1.482 1137 F HN 0.785 nan 8.300 nan 0.000 0.400 1138 G N 0.074 108.983 108.800 0.181 0.000 2.175 1138 G HA2 -0.151 3.809 3.960 -0.000 0.000 0.244 1138 G HA3 -0.151 3.809 3.960 -0.000 0.000 0.244 1138 G C 0.050 175.046 174.900 0.161 0.000 0.982 1138 G CA 0.043 45.230 45.100 0.144 0.000 0.641 1138 G HN 1.255 nan 8.290 nan 0.000 0.527 1139 L N -1.094 120.259 121.223 0.216 0.000 2.839 1139 L HA 0.822 5.162 4.340 -0.000 0.000 0.259 1139 L C -0.191 176.833 176.870 0.256 0.000 1.369 1139 L CA -0.440 54.528 54.840 0.213 0.000 0.845 1139 L CB -0.085 42.093 42.059 0.197 0.000 1.181 1139 L HN 1.401 nan 8.230 nan 0.000 0.529 1140 V N 0.306 120.354 119.914 0.224 0.000 2.353 1140 V HA 0.194 4.314 4.120 -0.000 0.000 0.279 1140 V C -2.269 173.966 176.094 0.235 0.000 1.766 1140 V CA -0.319 62.105 62.300 0.207 0.000 0.754 1140 V CB 1.118 33.053 31.823 0.187 0.000 1.294 1140 V HN 0.708 nan 8.190 nan 0.000 0.406 1141 D N 4.197 124.747 120.400 0.250 0.000 2.593 1141 D HA 0.731 5.371 4.640 -0.000 0.000 0.251 1141 D C 0.708 177.171 176.300 0.272 0.000 1.140 1141 D CA 1.211 55.347 54.000 0.227 0.000 0.855 1141 D CB 1.660 42.564 40.800 0.173 0.000 1.267 1141 D HN 2.004 nan 8.370 nan 0.000 0.532 1142 G N 2.707 111.629 108.800 0.203 0.000 2.153 1142 G HA2 -0.250 3.710 3.960 -0.000 0.000 0.252 1142 G HA3 -0.250 3.710 3.960 -0.000 0.000 0.252 1142 G C -0.168 174.905 174.900 0.289 0.000 0.994 1142 G CA 0.092 45.279 45.100 0.145 0.000 0.698 1142 G HN 0.473 nan 8.290 nan 0.000 0.521 1143 L N 1.836 123.322 121.223 0.438 0.000 2.275 1143 L HA 0.722 5.062 4.340 -0.000 0.000 0.288 1143 L C 0.231 177.290 176.870 0.315 0.000 1.046 1143 L CA -0.406 54.697 54.840 0.438 0.000 0.805 1143 L CB 0.708 42.922 42.059 0.259 0.000 1.193 1143 L HN 0.527 nan 8.230 nan 0.000 0.426 1144 N N 3.091 121.973 118.700 0.303 0.000 3.046 1144 N HA 0.591 5.331 4.740 -0.000 0.000 0.243 1144 N C -1.471 174.253 175.510 0.356 0.000 1.452 1144 N CA -0.797 52.444 53.050 0.319 0.000 0.882 1144 N CB 1.891 40.456 38.487 0.129 0.000 1.425 1144 N HN 0.383 nan 8.380 nan 0.000 0.517 1145 F N -2.445 117.524 119.950 0.031 0.000 2.741 1145 F HA 0.903 5.430 4.527 -0.000 0.000 0.311 1145 F C -2.177 173.637 175.800 0.023 0.000 1.149 1145 F CA -0.765 57.262 58.000 0.045 0.000 0.930 1145 F CB 1.229 40.301 39.000 0.119 0.000 1.312 1145 F HN 0.870 nan 8.300 nan 0.000 0.450 1146 A N 1.659 124.498 122.820 0.031 0.000 2.566 1146 A HA 0.780 5.100 4.320 -0.000 0.000 0.297 1146 A C -2.328 175.346 177.584 0.149 0.000 1.059 1146 A CA -0.533 51.457 52.037 -0.079 0.000 0.691 1146 A CB 1.558 20.502 19.000 -0.093 0.000 1.282 1146 A HN 1.832 nan 8.150 nan 0.000 0.401 1147 V N 1.757 121.786 119.914 0.192 0.000 3.049 1147 V HA 0.890 5.010 4.120 -0.000 0.000 0.309 1147 V C -1.416 174.796 176.094 0.196 0.000 1.148 1147 V CA -0.133 62.304 62.300 0.228 0.000 0.990 1147 V CB 2.225 34.239 31.823 0.318 0.000 1.039 1147 V HN 1.460 nan 8.190 nan 0.000 0.430 1148 Q N 4.285 124.184 119.800 0.165 0.000 2.426 1148 Q HA 0.563 4.903 4.340 -0.000 0.000 0.278 1148 Q C -2.238 173.904 176.000 0.238 0.000 1.007 1148 Q CA -0.828 55.081 55.803 0.176 0.000 0.850 1148 Q CB 2.130 30.864 28.738 -0.006 0.000 1.427 1148 Q HN 0.822 nan 8.270 nan 0.000 0.391 1149 Y N 1.635 122.063 120.300 0.212 0.000 2.373 1149 Y HA 0.410 4.960 4.550 -0.000 0.000 0.336 1149 Y C -1.754 174.343 175.900 0.328 0.000 0.979 1149 Y CA -0.406 57.832 58.100 0.230 0.000 1.080 1149 Y CB 2.199 40.783 38.460 0.207 0.000 1.190 1149 Y HN 0.811 nan 8.280 nan 0.000 0.446 1150 Q N 4.630 124.390 119.800 -0.066 0.000 2.333 1150 Q HA 0.708 5.048 4.340 -0.000 0.000 0.268 1150 Q C -0.273 175.559 176.000 -0.280 0.000 1.007 1150 Q CA -1.086 54.717 55.803 -0.000 0.000 0.810 1150 Q CB 1.938 30.718 28.738 0.069 0.000 1.264 1150 Q HN 0.923 nan 8.270 nan 0.000 0.452 1151 G N 2.292 111.081 108.800 -0.019 0.000 2.544 1151 G HA2 0.085 4.045 3.960 -0.000 0.000 0.242 1151 G HA3 0.085 4.045 3.960 -0.000 0.000 0.242 1151 G C -0.590 174.309 174.900 -0.003 0.000 1.247 1151 G CA -0.706 44.425 45.100 0.052 0.000 0.840 1151 G HN 0.773 nan 8.290 nan 0.000 0.578 1152 K N 0.996 121.406 120.400 0.015 0.000 2.530 1152 K HA -0.068 4.252 4.320 -0.000 0.000 0.280 1152 K C -0.456 176.139 176.600 -0.009 0.000 1.004 1152 K CA 0.345 56.637 56.287 0.008 0.000 1.071 1152 K CB 0.059 32.580 32.500 0.036 0.000 0.876 1152 K HN 0.506 nan 8.250 nan 0.000 0.487 1153 N N 3.838 122.508 118.700 -0.049 0.000 2.564 1153 N HA 0.163 4.903 4.740 -0.000 0.000 0.248 1153 N C -0.021 175.444 175.510 -0.074 0.000 0.986 1153 N CA -0.426 52.583 53.050 -0.068 0.000 0.921 1153 N CB 1.913 40.331 38.487 -0.114 0.000 1.136 1153 N HN 0.762 nan 8.380 nan 0.000 0.509 1154 G N 1.541 110.310 108.800 -0.053 0.000 3.411 1154 G HA2 0.101 4.061 3.960 -0.000 0.000 0.186 1154 G HA3 0.101 4.061 3.960 -0.000 0.000 0.186 1154 G C 0.161 175.004 174.900 -0.095 0.000 1.766 1154 G CA -0.047 45.025 45.100 -0.047 0.000 0.971 1154 G HN 0.342 nan 8.290 nan 0.000 0.590 1155 N N 0.819 119.457 118.700 -0.103 0.000 2.487 1155 N HA 0.362 5.102 4.740 -0.000 0.000 0.292 1155 N C -1.823 173.449 175.510 -0.396 0.000 1.108 1155 N CA -1.840 51.103 53.050 -0.178 0.000 0.956 1155 N CB 2.026 40.450 38.487 -0.105 0.000 1.176 1155 N HN -0.104 nan 8.380 nan 0.000 0.484 1156 P HA -0.086 nan 4.420 nan 0.000 0.216 1156 P C 0.526 176.688 177.300 -1.898 0.000 1.150 1156 P CA 1.267 63.809 63.100 -0.928 0.000 0.837 1156 P CB 0.390 31.772 31.700 -0.530 0.000 0.786 1157 S N -0.825 114.513 115.700 -0.604 0.000 2.585 1157 S HA 0.093 4.562 4.470 -0.000 0.000 0.233 1157 S C 1.535 176.503 174.600 0.612 0.000 1.478 1157 S CA 1.149 59.468 58.200 0.198 0.000 1.761 1157 S CB -1.117 62.138 63.200 0.092 0.000 0.471 1157 S HN 0.254 nan 8.310 nan 0.000 0.368 1158 G N 0.072 109.037 108.800 0.275 0.000 4.683 1158 G HA2 0.480 4.440 3.960 -0.000 0.000 0.273 1158 G HA3 0.480 4.440 3.960 -0.000 0.000 0.273 1158 G C -0.793 174.174 174.900 0.112 0.000 1.065 1158 G CA -0.049 45.154 45.100 0.172 0.000 0.837 1158 G HN 0.355 nan 8.290 nan 0.000 0.526 1159 E N -0.380 119.897 120.200 0.128 0.000 3.349 1159 E HA 0.368 4.718 4.350 -0.000 0.000 0.381 1159 E C 0.382 177.038 176.600 0.093 0.000 1.019 1159 E CA 0.087 56.541 56.400 0.089 0.000 0.717 1159 E CB -0.176 29.562 29.700 0.064 0.000 1.362 1159 E HN 1.188 nan 8.360 nan 0.000 0.458 1160 G N 3.884 112.741 108.800 0.095 0.000 2.198 1160 G HA2 -0.337 3.623 3.960 -0.000 0.000 0.257 1160 G HA3 -0.337 3.623 3.960 -0.000 0.000 0.257 1160 G C 0.283 175.258 174.900 0.124 0.000 1.042 1160 G CA 0.059 45.215 45.100 0.092 0.000 0.791 1160 G HN 0.452 nan 8.290 nan 0.000 0.502 1161 F N 1.510 121.468 119.950 0.013 0.000 2.668 1161 F HA 0.358 4.885 4.527 -0.000 0.000 0.338 1161 F C 1.463 177.270 175.800 0.012 0.000 1.194 1161 F CA 1.828 59.834 58.000 0.010 0.000 1.385 1161 F CB 0.648 39.654 39.000 0.010 0.000 1.088 1161 F HN 0.308 nan 8.300 nan 0.000 0.624 1162 T N 0.723 115.345 114.554 0.114 0.000 2.893 1162 T HA 0.312 4.662 4.350 -0.000 0.000 0.293 1162 T C 0.613 175.410 174.700 0.161 0.000 1.027 1162 T CA -0.269 61.901 62.100 0.116 0.000 0.988 1162 T CB 1.453 70.349 68.868 0.047 0.000 1.043 1162 T HN 0.787 nan 8.240 nan 0.000 0.461 1163 S N 2.543 118.355 115.700 0.187 0.000 2.369 1163 S HA -0.159 4.311 4.470 -0.000 0.000 0.299 1163 S C 1.106 175.773 174.600 0.111 0.000 1.123 1163 S CA 1.692 59.995 58.200 0.173 0.000 1.430 1163 S CB -1.347 61.920 63.200 0.112 0.000 1.297 1163 S HN 1.599 nan 8.310 nan 0.000 0.463 1164 G N 0.945 109.774 108.800 0.049 0.000 2.660 1164 G HA2 0.620 4.580 3.960 -0.000 0.000 0.305 1164 G HA3 0.620 4.580 3.960 -0.000 0.000 0.305 1164 G C -0.956 173.921 174.900 -0.039 0.000 1.329 1164 G CA -0.018 45.086 45.100 0.006 0.000 1.000 1164 G HN 0.972 nan 8.290 nan 0.000 0.514 1165 V N 0.121 119.976 119.914 -0.098 0.000 3.156 1165 V HA 0.909 5.029 4.120 -0.000 0.000 0.306 1165 V C -0.258 175.719 176.094 -0.196 0.000 1.468 1165 V CA -0.720 61.486 62.300 -0.156 0.000 1.047 1165 V CB 1.322 33.017 31.823 -0.213 0.000 1.078 1165 V HN 0.885 nan 8.190 nan 0.000 0.468 1166 T N -0.129 114.305 114.554 -0.201 0.000 2.769 1166 T HA 0.406 4.756 4.350 -0.000 0.000 0.306 1166 T C -1.126 173.478 174.700 -0.161 0.000 1.400 1166 T CA -0.291 61.705 62.100 -0.173 0.000 1.007 1166 T CB 1.858 70.632 68.868 -0.158 0.000 1.392 1166 T HN 1.184 nan 8.240 nan 0.000 0.500 1167 N N 1.741 120.356 118.700 -0.140 0.000 2.332 1167 N HA 0.232 4.972 4.740 -0.000 0.000 0.285 1167 N C 0.209 175.643 175.510 -0.127 0.000 1.292 1167 N CA -0.278 52.701 53.050 -0.117 0.000 0.947 1167 N CB 0.063 38.487 38.487 -0.104 0.000 1.084 1167 N HN 0.844 nan 8.380 nan 0.000 0.529 1168 N N -3.220 115.409 118.700 -0.119 0.000 2.036 1168 N HA 0.059 4.799 4.740 -0.000 0.000 0.228 1168 N C 1.292 176.710 175.510 -0.154 0.000 1.368 1168 N CA 0.158 53.126 53.050 -0.137 0.000 0.846 1168 N CB -0.322 38.110 38.487 -0.092 0.000 1.145 1168 N HN 0.628 nan 8.380 nan 0.000 0.502 1169 G N 2.046 110.755 108.800 -0.152 0.000 2.626 1169 G HA2 -0.321 3.639 3.960 -0.000 0.000 0.224 1169 G HA3 -0.321 3.639 3.960 -0.000 0.000 0.224 1169 G C 1.395 176.155 174.900 -0.232 0.000 1.095 1169 G CA 0.801 45.795 45.100 -0.177 0.000 0.738 1169 G HN 0.420 nan 8.290 nan 0.000 0.600 1170 R N 0.325 120.688 120.500 -0.228 0.000 2.472 1170 R HA 0.219 4.559 4.340 -0.000 0.000 0.279 1170 R C -0.473 175.645 176.300 -0.303 0.000 0.953 1170 R CA -0.209 55.724 56.100 -0.280 0.000 1.088 1170 R CB 0.440 30.596 30.300 -0.241 0.000 1.197 1170 R HN 0.279 nan 8.270 nan 0.000 0.536 1182 G N -1.305 107.505 108.800 0.017 0.000 2.677 1182 G HA2 0.925 4.885 3.960 -0.000 0.000 0.291 1182 G HA3 0.925 4.885 3.960 -0.000 0.000 0.291 1182 G C -0.720 174.200 174.900 0.034 0.000 1.435 1182 G CA 0.670 45.807 45.100 0.061 0.000 0.826 1182 G HN 2.031 nan 8.290 nan 0.000 0.491 1183 S N -0.711 115.035 115.700 0.076 0.000 2.547 1183 S HA 0.755 5.225 4.470 -0.000 0.000 0.270 1183 S C -0.966 173.717 174.600 0.139 0.000 1.150 1183 S CA -0.801 57.427 58.200 0.046 0.000 0.850 1183 S CB 1.952 65.119 63.200 -0.056 0.000 1.118 1183 S HN 1.954 nan 8.310 nan 0.000 0.461 1184 I N -0.818 119.824 120.570 0.120 0.000 2.934 1184 I HA 0.961 5.131 4.170 -0.000 0.000 0.306 1184 I C -0.767 175.439 176.117 0.148 0.000 1.110 1184 I CA -0.706 60.700 61.300 0.177 0.000 1.019 1184 I CB 1.059 39.130 38.000 0.118 0.000 1.227 1184 I HN 1.159 nan 8.210 nan 0.000 0.434 1185 T N 1.555 116.235 114.554 0.210 0.000 3.012 1185 T HA 0.570 4.920 4.350 -0.000 0.000 0.330 1185 T C -1.746 173.176 174.700 0.370 0.000 1.321 1185 T CA -0.507 61.759 62.100 0.277 0.000 1.067 1185 T CB 1.478 70.503 68.868 0.261 0.000 1.235 1185 T HN 0.844 nan 8.240 nan 0.000 0.479 1186 Y N 1.052 121.509 120.300 0.261 0.000 2.446 1186 Y HA 0.626 5.176 4.550 -0.000 0.000 0.345 1186 Y C 0.149 176.194 175.900 0.243 0.000 0.984 1186 Y CA -1.011 57.234 58.100 0.241 0.000 1.058 1186 Y CB 2.467 41.053 38.460 0.211 0.000 1.220 1186 Y HN 0.841 nan 8.280 nan 0.000 0.455 1187 D N 2.085 121.811 120.400 -1.124 0.000 2.468 1187 D HA -0.032 4.608 4.640 -0.000 0.000 0.243 1187 D C -0.499 175.459 176.300 -0.570 0.000 0.994 1187 D CA 1.185 54.757 54.000 -0.713 0.000 0.932 1187 D CB -0.168 40.429 40.800 -0.339 0.000 1.078 1187 D HN 0.489 nan 8.370 nan 0.000 0.473 1188 Y N 1.895 121.925 120.300 -0.450 0.000 3.059 1188 Y HA -0.235 4.315 4.550 -0.000 0.000 0.220 1188 Y C -0.653 175.264 175.900 0.028 0.000 1.145 1188 Y CA -0.613 57.433 58.100 -0.090 0.000 0.774 1188 Y CB -2.469 35.995 38.460 0.007 0.000 1.170 1188 Y HN -0.036 nan 8.280 nan 0.000 0.373 1189 E N 1.263 121.418 120.200 -0.075 0.000 0.669 1189 E HA -0.044 4.306 4.350 -0.000 0.000 0.361 1189 E C 1.136 177.606 176.600 -0.217 0.000 0.875 1189 E CA 2.160 58.486 56.400 -0.124 0.000 1.363 1189 E CB -0.948 28.729 29.700 -0.039 0.000 0.339 1189 E HN 1.791 nan 8.360 nan 0.000 0.363 1190 G N 2.059 110.575 108.800 -0.474 0.000 2.954 1190 G HA2 -0.103 3.857 3.960 -0.000 0.000 0.672 1190 G HA3 -0.103 3.857 3.960 -0.000 0.000 0.672 1190 G C -0.260 174.176 174.900 -0.773 0.000 1.598 1190 G CA -0.078 44.498 45.100 -0.874 0.000 1.063 1190 G HN 0.904 nan 8.290 nan 0.000 0.584 1191 F N -2.874 116.710 119.950 -0.610 0.000 2.159 1191 F HA 0.163 4.690 4.527 -0.000 0.000 0.522 1191 F C 0.902 176.306 175.800 -0.660 0.000 1.290 1191 F CA 0.771 58.435 58.000 -0.560 0.000 1.674 1191 F CB -1.124 37.397 39.000 -0.798 0.000 2.679 1191 F HN 1.557 nan 8.300 nan 0.000 0.723 1192 G N 3.517 112.101 108.800 -0.359 0.000 2.524 1192 G HA2 0.838 4.798 3.960 -0.000 0.000 0.310 1192 G HA3 0.838 4.798 3.960 -0.000 0.000 0.310 1192 G C -1.165 173.751 174.900 0.027 0.000 1.279 1192 G CA -0.950 43.980 45.100 -0.283 0.000 0.974 1192 G HN 0.466 nan 8.290 nan 0.000 0.484 1193 I N 0.004 120.727 120.570 0.256 0.000 2.846 1193 I HA 0.890 5.060 4.170 -0.000 0.000 0.307 1193 I C 0.408 176.793 176.117 0.446 0.000 1.053 1193 I CA -1.405 60.099 61.300 0.340 0.000 1.050 1193 I CB 1.442 39.633 38.000 0.318 0.000 1.239 1193 I HN 0.787 nan 8.210 nan 0.000 0.439 1194 G N 1.017 110.045 108.800 0.379 0.000 2.682 1194 G HA2 0.578 4.538 3.960 -0.000 0.000 0.300 1194 G HA3 0.578 4.538 3.960 -0.000 0.000 0.300 1194 G C -0.969 174.019 174.900 0.146 0.000 1.396 1194 G CA -0.476 44.781 45.100 0.261 0.000 1.104 1194 G HN 0.938 nan 8.290 nan 0.000 0.587 1195 G N -0.534 108.329 108.800 0.104 0.000 2.434 1195 G HA2 0.956 4.915 3.960 -0.000 0.000 0.330 1195 G HA3 0.956 4.915 3.960 -0.000 0.000 0.330 1195 G C -0.330 174.576 174.900 0.011 0.000 1.155 1195 G CA -0.017 45.125 45.100 0.070 0.000 0.917 1195 G HN 1.748 nan 8.290 nan 0.000 0.493 1196 A N 0.528 123.345 122.820 -0.006 0.000 2.488 1196 A HA 0.655 4.975 4.320 -0.000 0.000 0.295 1196 A C -1.365 176.185 177.584 -0.056 0.000 1.045 1196 A CA -0.462 51.549 52.037 -0.043 0.000 0.703 1196 A CB 1.211 20.147 19.000 -0.107 0.000 1.271 1196 A HN 0.597 nan 8.150 nan 0.000 0.400 1197 I N 1.492 122.021 120.570 -0.068 0.000 2.530 1197 I HA 0.759 4.929 4.170 -0.000 0.000 0.297 1197 I C 0.456 176.465 176.117 -0.180 0.000 1.011 1197 I CA -0.433 60.766 61.300 -0.168 0.000 1.107 1197 I CB 2.065 40.015 38.000 -0.084 0.000 1.285 1197 I HN 0.731 nan 8.210 nan 0.000 0.436 1198 S N 2.327 117.860 115.700 -0.278 0.000 2.607 1198 S HA 0.906 5.376 4.470 -0.000 0.000 0.273 1198 S C -0.815 173.666 174.600 -0.199 0.000 1.148 1198 S CA -0.800 57.299 58.200 -0.168 0.000 0.833 1198 S CB 1.920 65.049 63.200 -0.119 0.000 1.130 1198 S HN 0.648 nan 8.310 nan 0.000 0.470 1199 S N 0.234 115.862 115.700 -0.119 0.000 2.562 1199 S HA 0.724 5.194 4.470 -0.000 0.000 0.274 1199 S C -1.680 172.863 174.600 -0.095 0.000 1.160 1199 S CA -0.486 57.639 58.200 -0.124 0.000 0.933 1199 S CB 1.196 64.347 63.200 -0.082 0.000 1.100 1199 S HN 0.918 nan 8.310 nan 0.000 0.468 1200 S N 3.167 118.779 115.700 -0.146 0.000 2.557 1200 S HA 0.477 4.947 4.470 -0.000 0.000 0.291 1200 S C -0.804 173.758 174.600 -0.064 0.000 1.116 1200 S CA -0.917 57.237 58.200 -0.076 0.000 0.992 1200 S CB 1.680 64.892 63.200 0.020 0.000 1.028 1200 S HN 0.734 nan 8.310 nan 0.000 0.484 1201 K N 2.430 122.825 120.400 -0.008 0.000 2.448 1201 K HA 0.124 4.444 4.320 -0.000 0.000 0.278 1201 K C -0.267 176.360 176.600 0.046 0.000 1.009 1201 K CA 0.113 56.405 56.287 0.008 0.000 0.995 1201 K CB 0.386 32.900 32.500 0.023 0.000 0.917 1201 K HN 0.548 nan 8.250 nan 0.000 0.481 1202 R N 2.512 123.044 120.500 0.053 0.000 2.407 1202 R HA 0.220 4.560 4.340 -0.000 0.000 0.303 1202 R C -0.200 176.168 176.300 0.114 0.000 0.981 1202 R CA -0.781 55.408 56.100 0.149 0.000 0.905 1202 R CB 0.832 31.221 30.300 0.148 0.000 1.099 1202 R HN 0.805 nan 8.270 nan 0.000 0.459 1203 T N -1.007 113.615 114.554 0.114 0.000 2.903 1203 T HA -0.025 4.325 4.350 -0.000 0.000 0.314 1203 T C 0.606 175.342 174.700 0.061 0.000 1.078 1203 T CA -0.536 61.606 62.100 0.070 0.000 1.114 1203 T CB 0.551 69.447 68.868 0.046 0.000 0.987 1203 T HN 0.456 nan 8.240 nan 0.000 0.548 1204 D N 1.760 122.190 120.400 0.049 0.000 2.221 1204 D HA -0.084 4.556 4.640 -0.000 0.000 0.204 1204 D C 2.276 178.602 176.300 0.044 0.000 0.982 1204 D CA 1.592 55.620 54.000 0.046 0.000 0.857 1204 D CB -0.776 40.049 40.800 0.041 0.000 0.934 1204 D HN 0.779 nan 8.370 nan 0.000 0.475 1205 A N 1.245 124.087 122.820 0.036 0.000 1.908 1205 A HA -0.233 4.087 4.320 -0.000 0.000 0.218 1205 A C 1.920 179.526 177.584 0.037 0.000 1.181 1205 A CA 1.546 53.600 52.037 0.029 0.000 0.627 1205 A CB -0.688 18.317 19.000 0.009 0.000 0.818 1205 A HN 0.409 nan 8.150 nan 0.000 0.445 1206 Q N -0.610 119.218 119.800 0.047 0.000 2.466 1206 Q HA 0.097 4.437 4.340 -0.000 0.000 0.210 1206 Q C -0.396 175.650 176.000 0.076 0.000 0.961 1206 Q CA 0.215 56.055 55.803 0.060 0.000 0.953 1206 Q CB -0.204 28.588 28.738 0.090 0.000 1.011 1206 Q HN 0.411 nan 8.270 nan 0.000 0.516 1207 N N 1.804 120.545 118.700 0.067 0.000 2.818 1207 N HA 0.072 4.812 4.740 -0.000 0.000 0.301 1207 N C -1.053 174.494 175.510 0.062 0.000 1.821 1207 N CA 0.162 53.252 53.050 0.067 0.000 0.930 1207 N CB 1.477 40.001 38.487 0.062 0.000 1.263 1207 N HN 0.266 nan 8.380 nan 0.000 0.487 1208 T N -2.630 111.965 114.554 0.069 0.000 3.446 1208 T HA 0.358 4.707 4.350 -0.000 0.000 0.289 1208 T C 0.725 175.469 174.700 0.075 0.000 1.203 1208 T CA -0.089 62.050 62.100 0.064 0.000 1.645 1208 T CB 0.214 69.116 68.868 0.057 0.000 0.841 1208 T HN 0.177 nan 8.240 nan 0.000 0.617 1209 A N 0.700 123.566 122.820 0.076 0.000 2.596 1209 A HA 0.024 4.344 4.320 -0.000 0.000 0.323 1209 A C 1.209 178.851 177.584 0.096 0.000 1.500 1209 A CA 1.428 53.513 52.037 0.079 0.000 1.118 1209 A CB -1.975 17.057 19.000 0.054 0.000 0.852 1209 A HN 1.944 nan 8.150 nan 0.000 0.476 1210 A N -1.255 121.642 122.820 0.128 0.000 2.279 1210 A HA 0.617 4.937 4.320 -0.000 0.000 0.303 1210 A C 1.125 178.907 177.584 0.331 0.000 1.108 1210 A CA -0.009 52.156 52.037 0.213 0.000 0.830 1210 A CB 0.091 19.218 19.000 0.212 0.000 1.106 1210 A HN 1.151 nan 8.150 nan 0.000 0.493 1211 Y N 0.409 120.736 120.300 0.044 0.000 2.012 1211 Y HA -0.263 4.287 4.550 -0.000 0.000 0.243 1211 Y C 0.759 176.715 175.900 0.093 0.000 1.237 1211 Y CA 1.582 59.725 58.100 0.072 0.000 1.057 1211 Y CB -2.073 36.437 38.460 0.083 0.000 0.866 1211 Y HN 0.668 nan 8.280 nan 0.000 0.511 1212 I N -3.909 116.770 120.570 0.181 0.000 2.753 1212 I HA 0.700 4.870 4.170 -0.000 0.000 0.291 1212 I C -0.233 175.956 176.117 0.120 0.000 1.425 1212 I CA -0.804 60.591 61.300 0.159 0.000 1.039 1212 I CB 2.181 40.299 38.000 0.197 0.000 1.349 1212 I HN 0.504 nan 8.210 nan 0.000 0.430 1213 G N 2.078 110.947 108.800 0.114 0.000 2.881 1213 G HA2 -0.128 3.832 3.960 -0.000 0.000 0.597 1213 G HA3 -0.128 3.832 3.960 -0.000 0.000 0.597 1213 G C -0.724 174.228 174.900 0.087 0.000 1.188 1213 G CA -0.358 44.801 45.100 0.099 0.000 1.218 1213 G HN 1.109 nan 8.290 nan 0.000 0.544 1214 N N 1.076 119.824 118.700 0.080 0.000 2.543 1214 N HA 0.438 5.178 4.740 -0.000 0.000 0.289 1214 N C 1.083 176.631 175.510 0.064 0.000 1.223 1214 N CA 0.609 53.699 53.050 0.066 0.000 1.080 1214 N CB 0.449 38.971 38.487 0.058 0.000 1.450 1214 N HN 1.602 nan 8.380 nan 0.000 0.501 1215 G N 1.893 110.732 108.800 0.065 0.000 2.621 1215 G HA2 0.107 4.067 3.960 -0.000 0.000 0.306 1215 G HA3 0.107 4.067 3.960 -0.000 0.000 0.306 1215 G C 0.529 175.453 174.900 0.039 0.000 0.893 1215 G CA -0.473 44.662 45.100 0.057 0.000 1.486 1215 G HN 0.629 nan 8.290 nan 0.000 0.477 1216 D N 2.484 122.899 120.400 0.025 0.000 2.128 1216 D HA 0.047 4.687 4.640 -0.000 0.000 0.213 1216 D C 1.485 177.779 176.300 -0.010 0.000 0.983 1216 D CA 0.806 54.813 54.000 0.013 0.000 0.889 1216 D CB 0.409 41.216 40.800 0.012 0.000 1.018 1216 D HN 0.378 nan 8.370 nan 0.000 0.448 1217 R N -0.834 119.645 120.500 -0.035 0.000 2.705 1217 R HA 0.773 5.113 4.340 -0.000 0.000 0.246 1217 R C -0.628 175.566 176.300 -0.176 0.000 1.142 1217 R CA -0.806 55.243 56.100 -0.085 0.000 1.114 1217 R CB 1.537 31.796 30.300 -0.069 0.000 1.256 1217 R HN 0.081 nan 8.270 nan 0.000 0.536 1218 A N 0.828 123.440 122.820 -0.347 0.000 2.318 1218 A HA 0.435 4.755 4.320 -0.000 0.000 0.317 1218 A C -1.075 176.326 177.584 -0.306 0.000 1.159 1218 A CA -0.568 51.168 52.037 -0.502 0.000 0.799 1218 A CB 0.758 18.962 19.000 -1.327 0.000 1.194 1218 A HN 0.670 nan 8.150 nan 0.000 0.479 1219 E N 1.099 121.243 120.200 -0.092 0.000 2.210 1219 E HA 0.567 4.917 4.350 -0.000 0.000 0.266 1219 E C -0.673 175.926 176.600 -0.002 0.000 0.883 1219 E CA -0.689 55.678 56.400 -0.054 0.000 0.761 1219 E CB 2.321 32.078 29.700 0.094 0.000 1.156 1219 E HN 0.716 nan 8.360 nan 0.000 0.412 1220 T N -0.415 114.005 114.554 -0.224 0.000 2.863 1220 T HA 0.614 4.964 4.350 -0.000 0.000 0.285 1220 T C -1.100 173.381 174.700 -0.365 0.000 1.009 1220 T CA -0.675 61.340 62.100 -0.142 0.000 0.989 1220 T CB 0.712 69.513 68.868 -0.113 0.000 1.004 1220 T HN 0.324 nan 8.240 nan 0.000 0.455 1221 Y N 0.418 120.739 120.300 0.035 0.000 2.354 1221 Y HA 0.655 5.205 4.550 -0.000 0.000 0.330 1221 Y C 0.247 176.161 175.900 0.024 0.000 1.011 1221 Y CA -0.746 57.387 58.100 0.055 0.000 1.099 1221 Y CB 2.703 41.231 38.460 0.113 0.000 1.179 1221 Y HN 0.943 nan 8.280 nan 0.000 0.442 1222 T N 2.223 116.853 114.554 0.125 0.000 2.991 1222 T HA 0.728 5.078 4.350 -0.000 0.000 0.303 1222 T C -0.683 174.074 174.700 0.096 0.000 1.015 1222 T CA -0.501 61.643 62.100 0.073 0.000 1.007 1222 T CB 0.747 69.595 68.868 -0.033 0.000 1.034 1222 T HN 0.902 nan 8.240 nan 0.000 0.446 1223 G N 1.756 110.650 108.800 0.158 0.000 2.513 1223 G HA2 0.735 4.695 3.960 -0.000 0.000 0.317 1223 G HA3 0.735 4.695 3.960 -0.000 0.000 0.317 1223 G C -0.322 174.702 174.900 0.207 0.000 1.277 1223 G CA -0.565 44.646 45.100 0.185 0.000 0.955 1223 G HN 0.973 nan 8.290 nan 0.000 0.484 1224 G N -0.330 108.611 108.800 0.234 0.000 2.660 1224 G HA2 0.610 4.570 3.960 -0.000 0.000 0.294 1224 G HA3 0.610 4.570 3.960 -0.000 0.000 0.294 1224 G C -1.987 173.155 174.900 0.403 0.000 1.369 1224 G CA -0.617 44.683 45.100 0.334 0.000 0.912 1224 G HN 0.596 nan 8.290 nan 0.000 0.479 1225 L N 0.762 122.173 121.223 0.312 0.000 2.385 1225 L HA 0.769 5.109 4.340 -0.000 0.000 0.273 1225 L C -0.058 176.765 176.870 -0.079 0.000 0.990 1225 L CA -0.763 54.161 54.840 0.141 0.000 0.821 1225 L CB 2.036 44.182 42.059 0.147 0.000 1.279 1225 L HN 0.883 nan 8.230 nan 0.000 0.412 1226 K N 2.180 122.401 120.400 -0.298 0.000 2.578 1226 K HA 0.613 4.933 4.320 -0.000 0.000 0.287 1226 K C -2.076 174.213 176.600 -0.517 0.000 1.010 1226 K CA -0.900 55.085 56.287 -0.503 0.000 0.889 1226 K CB 2.155 34.111 32.500 -0.906 0.000 1.514 1226 K HN 0.304 nan 8.250 nan 0.000 0.424 1227 Y N 1.378 121.220 120.300 -0.763 0.000 2.307 1227 Y HA 0.384 4.934 4.550 -0.000 0.000 0.323 1227 Y C -2.236 173.158 175.900 -0.843 0.000 1.100 1227 Y CA -0.731 56.861 58.100 -0.847 0.000 1.140 1227 Y CB 1.846 39.886 38.460 -0.700 0.000 1.159 1227 Y HN 0.866 nan 8.280 nan 0.000 0.436 1228 D N 5.126 124.534 120.400 -1.653 0.000 2.602 1228 D HA 0.760 5.400 4.640 -0.000 0.000 0.245 1228 D C -1.569 174.170 176.300 -0.934 0.000 1.325 1228 D CA 0.191 53.515 54.000 -1.127 0.000 0.952 1228 D CB 1.130 41.461 40.800 -0.781 0.000 1.317 1228 D HN 0.890 nan 8.370 nan 0.000 0.577 1229 A N 3.317 125.697 122.820 -0.734 0.000 2.574 1229 A HA 0.506 4.826 4.320 -0.000 0.000 0.298 1229 A C -0.846 176.578 177.584 -0.266 0.000 0.987 1229 A CA -0.691 51.066 52.037 -0.468 0.000 0.678 1229 A CB 0.056 18.748 19.000 -0.513 0.000 1.296 1229 A HN 0.650 nan 8.150 nan 0.000 0.420 1230 N N 2.680 121.267 118.700 -0.190 0.000 2.607 1230 N HA -0.227 4.513 4.740 -0.000 0.000 0.285 1230 N C 0.566 175.939 175.510 -0.229 0.000 1.151 1230 N CA 0.850 53.816 53.050 -0.138 0.000 0.749 1230 N CB -0.941 37.525 38.487 -0.035 0.000 0.923 1230 N HN 0.876 nan 8.380 nan 0.000 0.552 1231 N N -2.186 116.294 118.700 -0.366 0.000 2.809 1231 N HA -0.259 4.481 4.740 -0.000 0.000 0.244 1231 N C -0.367 174.685 175.510 -0.763 0.000 1.018 1231 N CA 1.420 54.034 53.050 -0.726 0.000 0.917 1231 N CB -0.670 37.157 38.487 -1.101 0.000 1.130 1231 N HN 0.602 nan 8.380 nan 0.000 0.591 1232 I N 0.653 121.031 120.570 -0.321 0.000 2.359 1232 I HA 0.231 4.401 4.170 -0.000 0.000 0.294 1232 I C -0.414 175.651 176.117 -0.086 0.000 0.987 1232 I CA -0.716 60.527 61.300 -0.095 0.000 1.225 1232 I CB 1.189 39.265 38.000 0.126 0.000 1.366 1232 I HN -0.027 nan 8.210 nan 0.000 0.466 1233 Y N 7.434 127.654 120.300 -0.133 0.000 2.326 1233 Y HA 0.526 5.076 4.550 -0.000 0.000 0.331 1233 Y C -1.491 174.379 175.900 -0.049 0.000 0.962 1233 Y CA -0.806 57.212 58.100 -0.137 0.000 1.167 1233 Y CB 0.981 39.344 38.460 -0.160 0.000 1.148 1233 Y HN 0.337 nan 8.280 nan 0.000 0.463 1234 L N 5.518 126.540 121.223 -0.335 0.000 2.362 1234 L HA 0.915 5.255 4.340 -0.000 0.000 0.275 1234 L C -0.819 175.830 176.870 -0.369 0.000 0.998 1234 L CA -0.839 53.895 54.840 -0.177 0.000 0.820 1234 L CB 1.450 43.468 42.059 -0.068 0.000 1.270 1234 L HN 0.762 nan 8.230 nan 0.000 0.415 1235 A N 2.589 125.347 122.820 -0.103 0.000 2.612 1235 A HA 1.019 5.339 4.320 -0.000 0.000 0.293 1235 A C -1.661 175.954 177.584 0.052 0.000 1.075 1235 A CA -0.040 51.964 52.037 -0.055 0.000 0.680 1235 A CB 1.830 20.862 19.000 0.053 0.000 1.279 1235 A HN 1.026 nan 8.150 nan 0.000 0.411 1236 A N 0.654 123.517 122.820 0.072 0.000 2.547 1236 A HA 0.790 5.110 4.320 -0.000 0.000 0.297 1236 A C -1.289 176.363 177.584 0.114 0.000 1.056 1236 A CA -0.381 51.688 52.037 0.053 0.000 0.688 1236 A CB 1.873 20.967 19.000 0.157 0.000 1.282 1236 A HN 1.086 nan 8.150 nan 0.000 0.400 1237 Q N 1.217 121.027 119.800 0.016 0.000 2.331 1237 Q HA 0.570 4.910 4.340 -0.000 0.000 0.272 1237 Q C -2.486 173.571 176.000 0.096 0.000 1.062 1237 Q CA -0.456 55.396 55.803 0.082 0.000 0.806 1237 Q CB 2.172 30.928 28.738 0.029 0.000 1.312 1237 Q HN 0.950 nan 8.270 nan 0.000 0.431 1238 Y N 1.652 122.018 120.300 0.110 0.000 2.470 1238 Y HA 0.600 5.150 4.550 -0.000 0.000 0.341 1238 Y C -1.565 174.425 175.900 0.149 0.000 1.021 1238 Y CA -0.224 57.992 58.100 0.194 0.000 1.025 1238 Y CB 2.244 40.913 38.460 0.347 0.000 1.266 1238 Y HN 0.626 nan 8.280 nan 0.000 0.448 1239 T N 5.472 119.602 114.554 -0.707 0.000 3.159 1239 T HA 0.447 4.797 4.350 -0.000 0.000 0.343 1239 T C -2.129 172.260 174.700 -0.519 0.000 1.364 1239 T CA -0.702 61.142 62.100 -0.427 0.000 1.102 1239 T CB 1.242 70.026 68.868 -0.141 0.000 1.263 1239 T HN 0.857 nan 8.240 nan 0.000 0.477 1240 Q N 1.890 121.532 119.800 -0.264 0.000 2.375 1240 Q HA 0.773 5.113 4.340 -0.000 0.000 0.271 1240 Q C -0.851 175.132 176.000 -0.028 0.000 1.074 1240 Q CA -1.103 54.597 55.803 -0.172 0.000 0.808 1240 Q CB 2.127 30.786 28.738 -0.131 0.000 1.327 1240 Q HN 0.734 nan 8.270 nan 0.000 0.441 1241 T N -0.900 113.543 114.554 -0.187 0.000 2.887 1241 T HA 0.595 4.945 4.350 -0.000 0.000 0.288 1241 T C -1.121 173.349 174.700 -0.382 0.000 1.021 1241 T CA -0.570 61.468 62.100 -0.105 0.000 1.000 1241 T CB 0.735 69.569 68.868 -0.057 0.000 1.034 1241 T HN 0.506 nan 8.240 nan 0.000 0.467 1242 Y N 1.559 121.905 120.300 0.077 0.000 2.328 1242 Y HA 0.436 4.986 4.550 -0.000 0.000 0.336 1242 Y C 0.750 176.634 175.900 -0.026 0.000 0.960 1242 Y CA -0.988 57.140 58.100 0.047 0.000 1.134 1242 Y CB 1.197 39.706 38.460 0.081 0.000 1.166 1242 Y HN 0.795 nan 8.280 nan 0.000 0.464 1243 N N 1.567 120.327 118.700 0.100 0.000 2.747 1243 N HA -0.211 4.529 4.740 -0.000 0.000 0.249 1243 N C 0.124 175.619 175.510 -0.025 0.000 1.107 1243 N CA 1.010 54.085 53.050 0.041 0.000 0.707 1243 N CB -1.096 37.405 38.487 0.023 0.000 1.054 1243 N HN 0.805 nan 8.380 nan 0.000 0.555 1244 A N -1.881 120.950 122.820 0.019 0.000 2.701 1244 A HA 0.213 4.533 4.320 -0.000 0.000 0.241 1244 A C 0.454 178.161 177.584 0.204 0.000 1.231 1244 A CA 0.177 52.270 52.037 0.094 0.000 1.003 1244 A CB 0.600 19.553 19.000 -0.077 0.000 1.281 1244 A HN 0.100 nan 8.150 nan 0.000 0.600 1245 T N 2.263 116.886 114.554 0.116 0.000 2.762 1245 T HA 0.279 4.629 4.350 -0.000 0.000 0.303 1245 T C 0.170 174.916 174.700 0.077 0.000 0.977 1245 T CA -0.326 61.833 62.100 0.099 0.000 0.961 1245 T CB 0.291 69.195 68.868 0.059 0.000 0.944 1245 T HN 0.337 nan 8.240 nan 0.000 0.481 1246 R N 2.246 122.784 120.500 0.063 0.000 2.504 1246 R HA 0.173 4.513 4.340 -0.000 0.000 0.291 1246 R C 0.135 176.420 176.300 -0.025 0.000 0.974 1246 R CA 0.061 56.160 56.100 -0.002 0.000 1.077 1246 R CB -0.129 30.144 30.300 -0.045 0.000 0.926 1246 R HN 0.574 nan 8.270 nan 0.000 0.407 1247 V N 2.559 122.443 119.914 -0.050 0.000 2.239 1247 V HA 0.452 4.572 4.120 -0.000 0.000 0.267 1247 V C 1.016 176.998 176.094 -0.187 0.000 1.056 1247 V CA 0.485 62.735 62.300 -0.083 0.000 0.830 1247 V CB 0.658 32.475 31.823 -0.009 0.000 1.090 1247 V HN 0.973 nan 8.190 nan 0.000 0.459 1248 G N 3.728 112.413 108.800 -0.191 0.000 2.536 1248 G HA2 -0.121 3.839 3.960 -0.000 0.000 0.280 1248 G HA3 -0.121 3.839 3.960 -0.000 0.000 0.280 1248 G C 0.960 175.726 174.900 -0.223 0.000 1.152 1248 G CA 1.021 45.990 45.100 -0.218 0.000 0.970 1248 G HN 2.192 nan 8.290 nan 0.000 0.549 1249 S N -0.339 115.187 115.700 -0.291 0.000 2.754 1249 S HA 0.565 5.035 4.470 -0.000 0.000 0.247 1249 S C 1.329 175.493 174.600 -0.725 0.000 1.031 1249 S CA 0.594 58.562 58.200 -0.386 0.000 1.014 1249 S CB 0.357 63.373 63.200 -0.307 0.000 0.918 1249 S HN 0.707 nan 8.310 nan 0.000 0.519 1250 L N 2.033 122.922 121.223 -0.558 0.000 2.629 1250 L HA 0.447 4.787 4.340 -0.000 0.000 0.230 1250 L C 1.434 178.078 176.870 -0.376 0.000 1.151 1250 L CA 0.481 54.925 54.840 -0.660 0.000 0.924 1250 L CB -0.570 41.398 42.059 -0.153 0.000 1.137 1250 L HN 0.707 nan 8.230 nan 0.000 0.457 1251 G N -1.122 107.495 108.800 -0.305 0.000 2.587 1251 G HA2 -0.222 3.738 3.960 -0.000 0.000 0.212 1251 G HA3 -0.222 3.738 3.960 -0.000 0.000 0.212 1251 G C -0.955 173.925 174.900 -0.032 0.000 1.327 1251 G CA -0.502 44.532 45.100 -0.109 0.000 0.898 1251 G HN 0.084 nan 8.290 nan 0.000 0.551 1252 W N -0.598 120.729 121.300 0.044 0.000 2.848 1252 W HA 0.760 5.420 4.660 -0.000 0.000 0.396 1252 W C 0.554 177.122 176.519 0.081 0.000 1.553 1252 W CA -0.016 57.373 57.345 0.074 0.000 1.488 1252 W CB 1.028 30.572 29.460 0.140 0.000 1.732 1252 W HN 1.237 nan 8.180 nan 0.000 0.681 1253 A N 0.892 123.760 122.820 0.080 0.000 2.399 1253 A HA 0.331 4.651 4.320 -0.000 0.000 0.327 1253 A C 0.407 178.028 177.584 0.060 0.000 1.367 1253 A CA -0.528 51.554 52.037 0.075 0.000 0.842 1253 A CB -0.336 18.700 19.000 0.060 0.000 1.142 1253 A HN 0.802 nan 8.150 nan 0.000 0.495 1254 N N 1.247 119.995 118.700 0.080 0.000 2.073 1254 N HA -0.224 4.516 4.740 -0.000 0.000 0.199 1254 N C 0.869 176.412 175.510 0.055 0.000 1.023 1254 N CA 2.179 55.282 53.050 0.088 0.000 0.880 1254 N CB -0.024 38.525 38.487 0.102 0.000 1.052 1254 N HN 0.726 nan 8.380 nan 0.000 0.449 1255 K N -0.423 119.965 120.400 -0.020 0.000 2.385 1255 K HA 0.719 5.039 4.320 -0.000 0.000 0.248 1255 K C -1.973 174.542 176.600 -0.142 0.000 0.955 1255 K CA -0.826 55.339 56.287 -0.205 0.000 0.816 1255 K CB 1.997 34.414 32.500 -0.137 0.000 1.250 1255 K HN 0.062 nan 8.250 nan 0.000 0.434 1256 A N 2.706 125.407 122.820 -0.199 0.000 2.566 1256 A HA 0.375 4.695 4.320 -0.000 0.000 0.297 1256 A C -1.824 175.699 177.584 -0.103 0.000 1.059 1256 A CA -0.704 51.277 52.037 -0.093 0.000 0.691 1256 A CB 1.862 20.838 19.000 -0.039 0.000 1.282 1256 A HN 0.677 nan 8.150 nan 0.000 0.401 1257 Q N 1.406 121.193 119.800 -0.022 0.000 2.333 1257 Q HA 0.467 4.807 4.340 -0.000 0.000 0.265 1257 Q C -1.061 174.963 176.000 0.041 0.000 0.989 1257 Q CA -0.613 55.197 55.803 0.012 0.000 0.842 1257 Q CB 1.679 30.540 28.738 0.205 0.000 1.262 1257 Q HN 0.680 nan 8.270 nan 0.000 0.451 1258 N N 2.580 121.226 118.700 -0.091 0.000 2.407 1258 N HA 0.412 5.152 4.740 -0.000 0.000 0.277 1258 N C -1.631 173.928 175.510 0.081 0.000 0.995 1258 N CA -0.289 52.763 53.050 0.002 0.000 0.903 1258 N CB 1.387 39.858 38.487 -0.026 0.000 1.218 1258 N HN 0.421 nan 8.380 nan 0.000 0.487 1259 F N 1.075 121.093 119.950 0.113 0.000 2.532 1259 F HA 0.459 4.986 4.527 -0.000 0.000 0.321 1259 F C -0.691 175.174 175.800 0.108 0.000 1.089 1259 F CA -0.619 57.514 58.000 0.222 0.000 0.926 1259 F CB 1.507 40.695 39.000 0.313 0.000 1.168 1259 F HN 0.327 nan 8.300 nan 0.000 0.459 1260 E N 4.363 123.816 120.200 -1.245 0.000 2.349 1260 E HA 0.599 4.949 4.350 -0.000 0.000 0.290 1260 E C -1.716 174.516 176.600 -0.613 0.000 0.901 1260 E CA -0.783 55.212 56.400 -0.675 0.000 0.800 1260 E CB 1.720 31.243 29.700 -0.294 0.000 1.303 1260 E HN 0.710 nan 8.360 nan 0.000 0.397 1261 A N 2.359 124.991 122.820 -0.313 0.000 2.393 1261 A HA 0.750 5.070 4.320 -0.000 0.000 0.306 1261 A C -1.070 176.546 177.584 0.053 0.000 1.050 1261 A CA -0.563 51.432 52.037 -0.069 0.000 0.724 1261 A CB 1.669 20.745 19.000 0.126 0.000 1.248 1261 A HN 0.315 nan 8.150 nan 0.000 0.424 1262 V N 0.868 120.837 119.914 0.093 0.000 2.715 1262 V HA 0.858 4.978 4.120 -0.000 0.000 0.310 1262 V C 0.095 176.284 176.094 0.158 0.000 1.054 1262 V CA 0.094 62.472 62.300 0.129 0.000 0.928 1262 V CB 1.920 33.830 31.823 0.145 0.000 1.007 1262 V HN 1.520 nan 8.190 nan 0.000 0.437 1263 A N 4.554 127.463 122.820 0.148 0.000 2.422 1263 A HA 0.913 5.233 4.320 -0.000 0.000 0.302 1263 A C -1.099 176.574 177.584 0.149 0.000 1.041 1263 A CA -0.565 51.561 52.037 0.149 0.000 0.708 1263 A CB 1.748 20.816 19.000 0.114 0.000 1.257 1263 A HN 0.780 nan 8.150 nan 0.000 0.414 1264 Q N 0.157 120.057 119.800 0.167 0.000 2.435 1264 Q HA 0.497 4.837 4.340 -0.000 0.000 0.282 1264 Q C -2.067 174.003 176.000 0.116 0.000 1.020 1264 Q CA -0.610 55.274 55.803 0.135 0.000 0.820 1264 Q CB 2.705 31.492 28.738 0.082 0.000 1.436 1264 Q HN 0.725 nan 8.270 nan 0.000 0.395 1265 Y N 1.166 121.420 120.300 -0.075 0.000 2.373 1265 Y HA 0.334 4.884 4.550 -0.000 0.000 0.336 1265 Y C -1.223 174.492 175.900 -0.308 0.000 0.979 1265 Y CA -0.668 57.297 58.100 -0.226 0.000 1.080 1265 Y CB 2.089 40.328 38.460 -0.368 0.000 1.190 1265 Y HN 0.613 nan 8.280 nan 0.000 0.446 1266 Q N 5.469 124.841 119.800 -0.713 0.000 2.360 1266 Q HA 0.377 4.717 4.340 -0.000 0.000 0.254 1266 Q C -1.969 173.780 176.000 -0.418 0.000 0.975 1266 Q CA -0.120 55.432 55.803 -0.418 0.000 0.912 1266 Q CB 0.198 28.710 28.738 -0.377 0.000 1.212 1266 Q HN 0.546 nan 8.270 nan 0.000 0.452 1267 F N 3.136 123.020 119.950 -0.110 0.000 2.412 1267 F HA 0.123 4.650 4.527 -0.000 0.000 0.348 1267 F C 1.407 177.093 175.800 -0.190 0.000 1.102 1267 F CA -0.150 57.790 58.000 -0.101 0.000 1.196 1267 F CB 0.946 39.687 39.000 -0.433 0.000 1.144 1267 F HN 0.720 nan 8.300 nan 0.000 0.541 1268 D N 2.990 123.515 120.400 0.208 0.000 2.191 1268 D HA -0.350 4.290 4.640 -0.000 0.000 0.190 1268 D C 1.809 178.217 176.300 0.179 0.000 1.007 1268 D CA 2.228 56.331 54.000 0.171 0.000 0.865 1268 D CB -0.969 39.986 40.800 0.257 0.000 0.929 1268 D HN 0.585 nan 8.370 nan 0.000 0.447 1269 F N -0.668 119.397 119.950 0.192 0.000 2.558 1269 F HA 0.437 4.964 4.527 -0.000 0.000 0.298 1269 F C 1.793 177.677 175.800 0.139 0.000 1.119 1269 F CA 0.475 58.564 58.000 0.149 0.000 1.451 1269 F CB 0.052 39.136 39.000 0.140 0.000 1.091 1269 F HN 0.219 nan 8.300 nan 0.000 0.563 1270 G N 0.368 108.926 108.800 -0.404 0.000 2.613 1270 G HA2 -0.066 3.894 3.960 -0.000 0.000 0.199 1270 G HA3 -0.066 3.894 3.960 -0.000 0.000 0.199 1270 G C -0.475 174.281 174.900 -0.240 0.000 0.991 1270 G CA -0.155 44.768 45.100 -0.296 0.000 0.756 1270 G HN 0.495 nan 8.290 nan 0.000 0.515 1271 L N 0.821 121.864 121.223 -0.300 0.000 2.375 1271 L HA 0.976 5.316 4.340 -0.000 0.000 0.268 1271 L C 0.247 177.207 176.870 0.149 0.000 1.058 1271 L CA -0.914 53.959 54.840 0.054 0.000 0.803 1271 L CB 1.406 43.544 42.059 0.131 0.000 1.212 1271 L HN 0.225 nan 8.230 nan 0.000 0.451 1272 R N 3.126 123.741 120.500 0.192 0.000 3.190 1272 R HA 0.407 4.747 4.340 -0.000 0.000 0.244 1272 R C -2.883 173.513 176.300 0.159 0.000 1.788 1272 R CA -1.101 55.099 56.100 0.165 0.000 1.160 1272 R CB 0.900 31.279 30.300 0.131 0.000 1.494 1272 R HN 0.443 nan 8.270 nan 0.000 0.499 1273 P HA 0.150 nan 4.420 nan 0.000 0.274 1273 P C -0.948 176.437 177.300 0.142 0.000 1.231 1273 P CA -0.145 63.065 63.100 0.184 0.000 0.790 1273 P CB 1.496 33.331 31.700 0.226 0.000 0.951 1274 S N 2.313 118.092 115.700 0.132 0.000 2.570 1274 S HA 0.730 5.200 4.470 -0.000 0.000 0.286 1274 S C -1.313 173.365 174.600 0.130 0.000 1.099 1274 S CA -0.786 57.484 58.200 0.117 0.000 0.913 1274 S CB 1.225 64.478 63.200 0.089 0.000 1.085 1274 S HN 0.438 nan 8.310 nan 0.000 0.480 1275 L N 1.725 123.023 121.223 0.125 0.000 2.408 1275 L HA 0.880 5.219 4.340 -0.000 0.000 0.268 1275 L C -1.124 175.821 176.870 0.126 0.000 0.986 1275 L CA -0.412 54.504 54.840 0.127 0.000 0.820 1275 L CB 1.428 43.558 42.059 0.117 0.000 1.303 1275 L HN 1.224 nan 8.230 nan 0.000 0.411 1276 A N 4.177 127.075 122.820 0.130 0.000 2.572 1276 A HA 0.614 4.934 4.320 -0.000 0.000 0.295 1276 A C -2.443 175.220 177.584 0.131 0.000 1.072 1276 A CA -0.463 51.643 52.037 0.115 0.000 0.691 1276 A CB 1.675 20.719 19.000 0.074 0.000 1.291 1276 A HN 0.737 nan 8.150 nan 0.000 0.404 1277 Y N 2.022 122.313 120.300 -0.016 0.000 2.429 1277 Y HA 0.780 5.330 4.550 -0.000 0.000 0.342 1277 Y C -1.076 174.732 175.900 -0.153 0.000 1.004 1277 Y CA -0.950 57.124 58.100 -0.044 0.000 1.075 1277 Y CB 1.383 39.900 38.460 0.095 0.000 1.214 1277 Y HN 0.676 nan 8.280 nan 0.000 0.455 1278 L N 5.219 125.811 121.223 -1.053 0.000 2.434 1278 L HA 0.583 4.923 4.340 -0.000 0.000 0.260 1278 L C -1.448 174.836 176.870 -0.976 0.000 0.983 1278 L CA -0.990 53.337 54.840 -0.855 0.000 0.820 1278 L CB 2.122 43.751 42.059 -0.717 0.000 1.361 1278 L HN 0.811 nan 8.230 nan 0.000 0.410 1279 Q N 0.804 120.355 119.800 -0.415 0.000 2.575 1279 Q HA 0.655 4.995 4.340 -0.000 0.000 0.290 1279 Q C -1.833 174.156 176.000 -0.019 0.000 0.963 1279 Q CA -0.688 54.989 55.803 -0.210 0.000 0.783 1279 Q CB 2.500 31.183 28.738 -0.091 0.000 1.467 1279 Q HN 0.565 nan 8.270 nan 0.000 0.402 1280 S N 1.111 116.815 115.700 0.006 0.000 2.733 1280 S HA 0.443 4.913 4.470 -0.000 0.000 0.294 1280 S C -1.499 173.132 174.600 0.052 0.000 1.149 1280 S CA -0.652 57.572 58.200 0.040 0.000 1.034 1280 S CB 1.090 64.304 63.200 0.024 0.000 1.015 1280 S HN 0.471 nan 8.310 nan 0.000 0.486 1281 K N 3.607 124.043 120.400 0.061 0.000 2.281 1281 K HA 0.395 4.715 4.320 -0.000 0.000 0.272 1281 K C 0.314 176.927 176.600 0.023 0.000 1.048 1281 K CA -0.414 55.899 56.287 0.044 0.000 0.898 1281 K CB 0.828 33.365 32.500 0.062 0.000 1.128 1281 K HN 0.853 nan 8.250 nan 0.000 0.460 1282 G N 4.328 113.134 108.800 0.010 0.000 2.354 1282 G HA2 0.095 4.055 3.960 -0.000 0.000 0.266 1282 G HA3 0.095 4.055 3.960 -0.000 0.000 0.266 1282 G C -0.087 174.808 174.900 -0.008 0.000 1.242 1282 G CA -0.220 44.885 45.100 0.007 0.000 0.923 1282 G HN 0.316 nan 8.290 nan 0.000 0.476 1283 K N 1.512 121.911 120.400 -0.002 0.000 2.123 1283 K HA 0.215 4.535 4.320 -0.000 0.000 0.248 1283 K C 0.633 177.248 176.600 0.026 0.000 0.969 1283 K CA -1.385 54.905 56.287 0.005 0.000 0.882 1283 K CB 0.795 33.295 32.500 0.001 0.000 1.080 1283 K HN 0.561 nan 8.250 nan 0.000 0.441 1284 N N 1.518 120.238 118.700 0.033 0.000 2.913 1284 N HA -0.223 4.517 4.740 -0.000 0.000 0.301 1284 N C -0.775 174.780 175.510 0.075 0.000 1.061 1284 N CA 0.425 53.506 53.050 0.051 0.000 0.827 1284 N CB -0.736 37.784 38.487 0.056 0.000 0.971 1284 N HN 0.421 nan 8.380 nan 0.000 0.606 1285 L N 0.505 121.785 121.223 0.095 0.000 2.456 1285 L HA 0.414 4.754 4.340 -0.000 0.000 0.257 1285 L C 1.971 178.944 176.870 0.172 0.000 1.162 1285 L CA -0.309 54.625 54.840 0.156 0.000 0.808 1285 L CB 0.276 42.473 42.059 0.229 0.000 1.136 1285 L HN 0.476 nan 8.230 nan 0.000 0.466 1286 G N -0.341 108.581 108.800 0.203 0.000 2.479 1286 G HA2 0.018 3.978 3.960 -0.000 0.000 0.275 1286 G HA3 0.018 3.978 3.960 -0.000 0.000 0.275 1286 G C 0.321 175.294 174.900 0.122 0.000 1.421 1286 G CA -0.368 44.829 45.100 0.161 0.000 1.059 1286 G HN 0.772 nan 8.290 nan 0.000 0.535 1287 R N -0.491 120.028 120.500 0.032 0.000 3.225 1287 R HA -0.195 4.145 4.340 -0.000 0.000 0.245 1287 R C 1.053 177.129 176.300 -0.374 0.000 0.928 1287 R CA 1.561 57.603 56.100 -0.096 0.000 0.632 1287 R CB -1.663 28.644 30.300 0.012 0.000 1.038 1287 R HN 2.485 nan 8.270 nan 0.000 0.461 1288 G N -0.436 108.233 108.800 -0.218 0.000 2.539 1288 G HA2 -0.404 3.556 3.960 -0.000 0.000 0.256 1288 G HA3 -0.404 3.556 3.960 -0.000 0.000 0.256 1288 G C 0.242 175.064 174.900 -0.130 0.000 1.233 1288 G CA 0.863 45.827 45.100 -0.226 0.000 0.936 1288 G HN 0.522 nan 8.290 nan 0.000 0.571 1289 Y N -1.322 119.005 120.300 0.045 0.000 2.739 1289 Y HA -0.253 4.297 4.550 -0.000 0.000 0.479 1289 Y C 1.922 177.770 175.900 -0.087 0.000 1.139 1289 Y CA 2.520 60.618 58.100 -0.004 0.000 2.846 1289 Y CB -2.097 36.422 38.460 0.098 0.000 1.043 1289 Y HN 1.809 nan 8.280 nan 0.000 0.581 1290 D N -1.544 118.934 120.400 0.130 0.000 4.517 1290 D HA -0.167 4.473 4.640 -0.000 0.000 0.136 1290 D C -0.524 175.774 176.300 -0.003 0.000 0.779 1290 D CA 1.555 55.580 54.000 0.042 0.000 1.041 1290 D CB -1.347 39.460 40.800 0.012 0.000 0.602 1290 D HN 0.415 nan 8.370 nan 0.000 0.590 1291 D N 1.317 121.694 120.400 -0.039 0.000 2.175 1291 D HA 0.671 5.311 4.640 -0.000 0.000 0.248 1291 D C -0.530 175.686 176.300 -0.140 0.000 1.047 1291 D CA 0.301 54.266 54.000 -0.058 0.000 0.883 1291 D CB 1.599 42.382 40.800 -0.029 0.000 1.180 1291 D HN 0.305 nan 8.370 nan 0.000 0.438 1292 E N 0.777 120.864 120.200 -0.188 0.000 2.597 1292 E HA 0.151 4.501 4.350 -0.000 0.000 0.310 1292 E C -1.910 174.547 176.600 -0.239 0.000 0.970 1292 E CA -0.558 55.623 56.400 -0.366 0.000 0.819 1292 E CB 0.904 30.059 29.700 -0.910 0.000 1.267 1292 E HN 0.043 nan 8.360 nan 0.000 0.411 1293 D N 4.162 124.486 120.400 -0.128 0.000 2.343 1293 D HA 0.227 4.866 4.640 -0.000 0.000 0.255 1293 D C 1.003 177.379 176.300 0.127 0.000 1.187 1293 D CA 0.133 54.140 54.000 0.011 0.000 0.875 1293 D CB 0.893 41.711 40.800 0.029 0.000 1.136 1293 D HN 0.489 nan 8.370 nan 0.000 0.469 1294 I N 1.766 122.412 120.570 0.127 0.000 2.852 1294 I HA 0.036 4.206 4.170 -0.000 0.000 0.264 1294 I C 0.431 176.598 176.117 0.084 0.000 1.179 1294 I CA 0.394 61.782 61.300 0.147 0.000 1.480 1294 I CB 0.208 38.264 38.000 0.094 0.000 1.111 1294 I HN 0.164 nan 8.210 nan 0.000 0.441 1295 L N 0.411 121.673 121.223 0.066 0.000 2.591 1295 L HA 0.431 4.771 4.340 -0.000 0.000 0.257 1295 L C -1.212 175.675 176.870 0.028 0.000 0.935 1295 L CA -0.400 54.478 54.840 0.063 0.000 0.873 1295 L CB 1.838 43.928 42.059 0.051 0.000 1.397 1295 L HN -0.025 nan 8.230 nan 0.000 0.414 1296 K N 3.715 124.148 120.400 0.054 0.000 2.606 1296 K HA 0.619 4.939 4.320 -0.000 0.000 0.259 1296 K C -2.229 174.394 176.600 0.038 0.000 1.001 1296 K CA -0.532 55.735 56.287 -0.033 0.000 0.881 1296 K CB 1.134 33.662 32.500 0.047 0.000 1.288 1296 K HN 0.621 nan 8.250 nan 0.000 0.452 1297 Y N -0.335 119.820 120.300 -0.242 0.000 2.620 1297 Y HA 0.555 5.105 4.550 -0.000 0.000 0.331 1297 Y C -2.078 173.732 175.900 -0.151 0.000 1.173 1297 Y CA -1.274 56.725 58.100 -0.168 0.000 1.076 1297 Y CB 0.976 39.321 38.460 -0.191 0.000 1.336 1297 Y HN 0.025 nan 8.280 nan 0.000 0.459 1298 V N 3.168 123.165 119.914 0.139 0.000 2.435 1298 V HA 0.316 4.436 4.120 -0.000 0.000 0.290 1298 V C -0.751 175.429 176.094 0.143 0.000 1.030 1298 V CA -0.410 61.971 62.300 0.136 0.000 0.881 1298 V CB 1.468 33.373 31.823 0.136 0.000 0.983 1298 V HN 0.829 nan 8.190 nan 0.000 0.445 1299 D N 3.572 124.061 120.400 0.148 0.000 2.177 1299 D HA 0.527 5.167 4.640 -0.000 0.000 0.247 1299 D C -1.132 175.251 176.300 0.139 0.000 1.063 1299 D CA -0.059 54.053 54.000 0.186 0.000 0.867 1299 D CB 2.083 43.057 40.800 0.289 0.000 1.168 1299 D HN 0.262 nan 8.370 nan 0.000 0.445 1300 V N 2.428 122.423 119.914 0.135 0.000 2.638 1300 V HA 0.872 4.992 4.120 -0.000 0.000 0.306 1300 V C 0.498 176.743 176.094 0.252 0.000 1.052 1300 V CA -0.342 62.066 62.300 0.180 0.000 0.885 1300 V CB 1.602 33.537 31.823 0.186 0.000 0.999 1300 V HN 0.795 nan 8.190 nan 0.000 0.424 1301 G N 2.789 111.720 108.800 0.218 0.000 2.356 1301 G HA2 0.847 4.807 3.960 -0.000 0.000 0.294 1301 G HA3 0.847 4.807 3.960 -0.000 0.000 0.294 1301 G C -1.525 173.479 174.900 0.175 0.000 1.423 1301 G CA 0.169 45.402 45.100 0.222 0.000 0.806 1301 G HN 1.321 nan 8.290 nan 0.000 0.527 1302 A N -0.839 122.083 122.820 0.169 0.000 2.606 1302 A HA 0.991 5.311 4.320 -0.000 0.000 0.293 1302 A C -0.310 177.357 177.584 0.139 0.000 1.082 1302 A CA 0.245 52.368 52.037 0.143 0.000 0.685 1302 A CB 1.737 20.824 19.000 0.145 0.000 1.284 1302 A HN 2.141 nan 8.150 nan 0.000 0.408 1303 T N -1.153 113.449 114.554 0.081 0.000 2.916 1303 T HA 0.681 5.031 4.350 -0.000 0.000 0.292 1303 T C -1.655 172.979 174.700 -0.110 0.000 1.064 1303 T CA -0.429 61.671 62.100 -0.000 0.000 1.011 1303 T CB 1.499 70.299 68.868 -0.112 0.000 1.152 1303 T HN 1.476 nan 8.240 nan 0.000 0.510 1304 Y N 2.653 122.705 120.300 -0.413 0.000 2.331 1304 Y HA 0.566 5.116 4.550 -0.000 0.000 0.326 1304 Y C -2.030 173.452 175.900 -0.697 0.000 1.020 1304 Y CA -1.481 56.351 58.100 -0.447 0.000 1.136 1304 Y CB 1.031 39.272 38.460 -0.364 0.000 1.157 1304 Y HN 0.709 nan 8.280 nan 0.000 0.444 1305 Y N 7.345 127.111 120.300 -0.889 0.000 2.425 1305 Y HA 0.225 4.775 4.550 -0.000 0.000 0.347 1305 Y C 0.547 175.893 175.900 -0.924 0.000 0.976 1305 Y CA -0.588 57.090 58.100 -0.704 0.000 1.190 1305 Y CB 0.066 38.313 38.460 -0.355 0.000 1.136 1305 Y HN 0.655 nan 8.280 nan 0.000 0.517 1306 F N 1.153 120.952 119.950 -0.252 0.000 2.069 1306 F HA -0.238 4.289 4.527 -0.000 0.000 0.298 1306 F C 0.973 176.758 175.800 -0.024 0.000 1.113 1306 F CA 1.401 59.370 58.000 -0.051 0.000 1.214 1306 F CB -0.354 38.714 39.000 0.113 0.000 0.978 1306 F HN 0.582 nan 8.300 nan 0.000 0.474 1307 N N -0.930 117.870 118.700 0.168 0.000 3.526 1307 N HA 0.188 4.928 4.740 -0.000 0.000 0.328 1307 N C -1.012 174.524 175.510 0.044 0.000 1.601 1307 N CA -1.026 52.071 53.050 0.078 0.000 0.834 1307 N CB 0.203 38.742 38.487 0.087 0.000 1.983 1307 N HN -0.075 nan 8.380 nan 0.000 0.579 1308 K N -1.035 119.355 120.400 -0.016 0.000 3.192 1308 K HA 0.472 4.792 4.320 -0.000 0.000 0.269 1308 K C -0.310 176.256 176.600 -0.057 0.000 1.270 1308 K CA 0.019 56.268 56.287 -0.064 0.000 1.249 1308 K CB -0.479 31.955 32.500 -0.111 0.000 1.528 1308 K HN 0.487 nan 8.250 nan 0.000 0.360 1309 N N -0.409 118.271 118.700 -0.034 0.000 1.848 1309 N HA 0.134 4.874 4.740 -0.000 0.000 0.236 1309 N C -1.310 174.092 175.510 -0.181 0.000 1.427 1309 N CA 0.155 53.120 53.050 -0.141 0.000 0.732 1309 N CB 0.537 38.955 38.487 -0.116 0.000 1.067 1309 N HN 0.452 nan 8.380 nan 0.000 0.540 1310 M N 0.368 119.994 119.600 0.044 0.000 2.643 1310 M HA 0.515 4.995 4.480 -0.000 0.000 0.276 1310 M C -1.920 174.607 176.300 0.378 0.000 1.200 1310 M CA -0.076 55.339 55.300 0.191 0.000 0.863 1310 M CB 1.886 34.626 32.600 0.232 0.000 1.711 1310 M HN 0.132 nan 8.290 nan 0.000 0.492 1311 S N -0.194 115.793 115.700 0.478 0.000 2.707 1311 S HA 0.757 5.226 4.470 -0.000 0.000 0.270 1311 S C -1.373 173.439 174.600 0.352 0.000 1.031 1311 S CA -0.584 57.812 58.200 0.327 0.000 0.866 1311 S CB 0.745 63.910 63.200 -0.059 0.000 1.114 1311 S HN 1.029 nan 8.310 nan 0.000 0.465 1312 T N 0.462 115.139 114.554 0.205 0.000 2.916 1312 T HA 0.873 5.223 4.350 -0.000 0.000 0.292 1312 T C -1.247 173.533 174.700 0.133 0.000 1.055 1312 T CA -0.797 61.400 62.100 0.163 0.000 1.009 1312 T CB 1.210 70.191 68.868 0.188 0.000 1.118 1312 T HN 1.456 nan 8.240 nan 0.000 0.497 1313 Y N -1.596 118.728 120.300 0.039 0.000 2.588 1313 Y HA 0.794 5.344 4.550 -0.000 0.000 0.343 1313 Y C -1.437 174.500 175.900 0.061 0.000 1.065 1313 Y CA -1.681 56.429 58.100 0.017 0.000 1.038 1313 Y CB 0.755 39.208 38.460 -0.012 0.000 1.297 1313 Y HN 0.521 nan 8.280 nan 0.000 0.467 1314 V N 1.423 121.475 119.914 0.231 0.000 2.628 1314 V HA 0.669 4.789 4.120 -0.000 0.000 0.306 1314 V C -1.167 175.097 176.094 0.284 0.000 1.045 1314 V CA -0.471 61.951 62.300 0.203 0.000 0.905 1314 V CB 1.663 33.574 31.823 0.146 0.000 0.997 1314 V HN 0.839 nan 8.190 nan 0.000 0.436 1315 D N 1.092 121.675 120.400 0.304 0.000 2.859 1315 D HA 0.463 5.103 4.640 -0.000 0.000 0.223 1315 D C -2.056 174.573 176.300 0.548 0.000 1.218 1315 D CA -0.287 53.936 54.000 0.372 0.000 0.850 1315 D CB 2.273 43.199 40.800 0.210 0.000 1.656 1315 D HN 0.498 nan 8.370 nan 0.000 0.484 1316 Y N 2.558 123.053 120.300 0.325 0.000 2.400 1316 Y HA 0.298 4.848 4.550 -0.000 0.000 0.335 1316 Y C -1.154 174.782 175.900 0.060 0.000 1.066 1316 Y CA -1.086 57.120 58.100 0.176 0.000 1.285 1316 Y CB 0.885 39.422 38.460 0.129 0.000 1.103 1316 Y HN 0.263 nan 8.280 nan 0.000 0.490 1317 K N 7.121 127.354 120.400 -0.279 0.000 2.284 1317 K HA 0.476 4.796 4.320 -0.000 0.000 0.287 1317 K C -1.091 175.176 176.600 -0.556 0.000 1.081 1317 K CA -0.216 55.736 56.287 -0.558 0.000 0.910 1317 K CB 0.183 32.039 32.500 -1.073 0.000 1.088 1317 K HN 0.711 nan 8.250 nan 0.000 0.478 1318 I N 4.376 124.640 120.570 -0.510 0.000 2.291 1318 I HA 0.046 4.216 4.170 -0.000 0.000 0.292 1318 I C 0.049 176.083 176.117 -0.139 0.000 1.064 1318 I CA -0.637 60.428 61.300 -0.392 0.000 1.269 1318 I CB 0.570 38.360 38.000 -0.351 0.000 1.418 1318 I HN 0.605 nan 8.210 nan 0.000 0.485 1319 N N 7.549 126.176 118.700 -0.122 0.000 2.469 1319 N HA 0.200 4.940 4.740 -0.000 0.000 0.239 1319 N C 0.389 175.903 175.510 0.007 0.000 1.053 1319 N CA -0.126 52.882 53.050 -0.071 0.000 0.937 1319 N CB 0.912 39.316 38.487 -0.139 0.000 1.163 1319 N HN 0.603 nan 8.380 nan 0.000 0.509 1320 L N 2.894 124.156 121.223 0.065 0.000 2.650 1320 L HA 0.134 4.474 4.340 -0.000 0.000 0.235 1320 L C 0.232 177.140 176.870 0.063 0.000 1.149 1320 L CA 0.250 55.133 54.840 0.072 0.000 0.887 1320 L CB -0.136 41.993 42.059 0.117 0.000 1.021 1320 L HN 0.394 nan 8.230 nan 0.000 0.441 1321 L N -0.049 121.205 121.223 0.051 0.000 2.312 1321 L HA 0.238 4.578 4.340 -0.000 0.000 0.281 1321 L C -0.166 176.732 176.870 0.047 0.000 1.070 1321 L CA -0.791 54.082 54.840 0.054 0.000 0.805 1321 L CB 1.010 43.104 42.059 0.058 0.000 1.174 1321 L HN -0.007 nan 8.230 nan 0.000 0.434 1322 D N 2.170 122.601 120.400 0.053 0.000 2.390 1322 D HA 0.016 4.656 4.640 -0.000 0.000 0.249 1322 D C -0.218 176.120 176.300 0.065 0.000 1.144 1322 D CA -0.199 53.832 54.000 0.052 0.000 0.880 1322 D CB 0.725 41.555 40.800 0.050 0.000 1.182 1322 D HN 0.360 nan 8.370 nan 0.000 0.451 1323 D N 1.919 122.351 120.400 0.052 0.000 2.648 1323 D HA -0.031 4.609 4.640 -0.000 0.000 0.229 1323 D C 0.280 176.629 176.300 0.082 0.000 1.119 1323 D CA 0.829 54.864 54.000 0.058 0.000 0.850 1323 D CB 0.338 41.164 40.800 0.044 0.000 1.169 1323 D HN 0.458 nan 8.370 nan 0.000 0.489 1324 N N -0.006 118.758 118.700 0.108 0.000 3.046 1324 N HA 0.144 4.884 4.740 -0.000 0.000 0.243 1324 N C 0.538 176.151 175.510 0.171 0.000 1.452 1324 N CA -0.615 52.520 53.050 0.141 0.000 0.882 1324 N CB 0.510 39.105 38.487 0.180 0.000 1.425 1324 N HN 0.256 nan 8.380 nan 0.000 0.517 1325 Q N 0.061 119.975 119.800 0.189 0.000 2.443 1325 Q HA -0.120 4.219 4.340 -0.000 0.000 0.213 1325 Q C 1.344 177.511 176.000 0.278 0.000 0.982 1325 Q CA 1.535 57.456 55.803 0.196 0.000 0.894 1325 Q CB -0.847 27.997 28.738 0.177 0.000 0.947 1325 Q HN 0.561 nan 8.270 nan 0.000 0.480 1326 F N 1.956 121.990 119.950 0.139 0.000 2.014 1326 F HA -0.198 4.329 4.527 -0.000 0.000 0.295 1326 F C 2.670 178.397 175.800 -0.120 0.000 1.145 1326 F CA 2.950 60.915 58.000 -0.058 0.000 1.178 1326 F CB -0.679 38.261 39.000 -0.100 0.000 0.972 1326 F HN 0.396 nan 8.300 nan 0.000 0.476 1327 T N -1.125 113.378 114.554 -0.085 0.000 2.612 1327 T HA -0.210 4.140 4.350 -0.000 0.000 0.259 1327 T C 2.138 176.709 174.700 -0.214 0.000 1.065 1327 T CA 1.310 63.269 62.100 -0.234 0.000 1.167 1327 T CB -0.946 67.931 68.868 0.015 0.000 0.863 1327 T HN 0.279 nan 8.240 nan 0.000 0.407 1328 R N 1.554 122.009 120.500 -0.075 0.000 2.265 1328 R HA -0.284 4.056 4.340 -0.000 0.000 0.256 1328 R C 2.086 178.349 176.300 -0.061 0.000 1.120 1328 R CA 2.656 58.731 56.100 -0.041 0.000 0.956 1328 R CB -0.908 29.402 30.300 0.016 0.000 0.925 1328 R HN 0.484 nan 8.270 nan 0.000 0.448 1329 D N -0.612 119.747 120.400 -0.067 0.000 2.108 1329 D HA -0.198 4.442 4.640 -0.000 0.000 0.190 1329 D C 1.766 178.016 176.300 -0.082 0.000 0.995 1329 D CA 1.983 55.969 54.000 -0.024 0.000 0.834 1329 D CB -0.630 40.209 40.800 0.065 0.000 0.967 1329 D HN 0.495 nan 8.370 nan 0.000 0.446 1330 A N -0.017 122.620 122.820 -0.305 0.000 2.024 1330 A HA 0.108 4.428 4.320 -0.000 0.000 0.220 1330 A C 1.693 179.152 177.584 -0.209 0.000 1.164 1330 A CA 1.899 53.741 52.037 -0.324 0.000 0.643 1330 A CB -0.690 17.964 19.000 -0.576 0.000 0.806 1330 A HN 0.454 nan 8.150 nan 0.000 0.451 1331 G N -1.057 107.642 108.800 -0.168 0.000 2.326 1331 G HA2 -0.202 3.758 3.960 -0.000 0.000 0.286 1331 G HA3 -0.202 3.758 3.960 -0.000 0.000 0.286 1331 G C -0.118 174.704 174.900 -0.130 0.000 1.096 1331 G CA 0.236 45.270 45.100 -0.111 0.000 1.003 1331 G HN 0.503 nan 8.290 nan 0.000 0.503 1332 I N 0.608 121.085 120.570 -0.153 0.000 2.325 1332 I HA 0.139 4.309 4.170 -0.000 0.000 0.291 1332 I C 0.808 176.874 176.117 -0.085 0.000 1.019 1332 I CA -0.842 60.383 61.300 -0.125 0.000 1.302 1332 I CB 0.981 38.899 38.000 -0.137 0.000 1.401 1332 I HN 0.377 nan 8.210 nan 0.000 0.485 1333 N N 3.950 122.603 118.700 -0.079 0.000 2.454 1333 N HA -0.006 4.734 4.740 -0.000 0.000 0.254 1333 N C 0.725 176.194 175.510 -0.069 0.000 1.228 1333 N CA 0.516 53.523 53.050 -0.071 0.000 0.900 1333 N CB 0.852 39.288 38.487 -0.084 0.000 1.089 1333 N HN 0.712 nan 8.380 nan 0.000 0.449 1334 T N -1.864 112.659 114.554 -0.053 0.000 2.986 1334 T HA 0.192 4.542 4.350 -0.000 0.000 0.264 1334 T C -0.138 174.536 174.700 -0.043 0.000 0.964 1334 T CA -0.392 61.687 62.100 -0.034 0.000 0.895 1334 T CB -0.106 68.764 68.868 0.002 0.000 1.163 1334 T HN 0.391 nan 8.240 nan 0.000 0.517 1335 D N 2.825 123.195 120.400 -0.050 0.000 2.358 1335 D HA 0.215 4.855 4.640 -0.000 0.000 0.244 1335 D C 0.051 176.298 176.300 -0.089 0.000 1.163 1335 D CA -0.327 53.647 54.000 -0.043 0.000 0.945 1335 D CB 0.620 41.410 40.800 -0.018 0.000 1.152 1335 D HN 0.321 nan 8.370 nan 0.000 0.451 1336 N N 0.418 119.084 118.700 -0.056 0.000 2.344 1336 N HA 0.123 4.863 4.740 -0.000 0.000 0.236 1336 N C -0.031 175.439 175.510 -0.068 0.000 1.279 1336 N CA 0.467 53.475 53.050 -0.069 0.000 0.882 1336 N CB 0.818 39.351 38.487 0.077 0.000 1.110 1336 N HN 0.307 nan 8.380 nan 0.000 0.436 1337 I N -0.283 120.214 120.570 -0.122 0.000 2.994 1337 I HA 0.378 4.548 4.170 -0.000 0.000 0.306 1337 I C -0.621 175.575 176.117 0.131 0.000 1.195 1337 I CA -1.011 60.256 61.300 -0.055 0.000 1.001 1337 I CB 2.203 40.045 38.000 -0.263 0.000 1.244 1337 I HN 0.029 nan 8.210 nan 0.000 0.437 1338 V N 2.293 122.345 119.914 0.231 0.000 2.604 1338 V HA 0.836 4.956 4.120 -0.000 0.000 0.305 1338 V C -0.192 176.091 176.094 0.315 0.000 1.043 1338 V CA -0.563 61.940 62.300 0.339 0.000 0.888 1338 V CB 1.719 33.701 31.823 0.264 0.000 0.995 1338 V HN 0.858 nan 8.190 nan 0.000 0.429 1339 A N 4.620 127.622 122.820 0.302 0.000 2.340 1339 A HA 0.929 5.249 4.320 -0.000 0.000 0.331 1339 A C -1.113 176.625 177.584 0.257 0.000 1.140 1339 A CA -0.589 51.578 52.037 0.217 0.000 0.801 1339 A CB 1.275 20.284 19.000 0.016 0.000 1.234 1339 A HN 0.804 nan 8.150 nan 0.000 0.469 1340 L N 1.407 122.768 121.223 0.230 0.000 2.362 1340 L HA 0.766 5.106 4.340 -0.000 0.000 0.275 1340 L C 0.165 176.918 176.870 -0.196 0.000 0.998 1340 L CA -0.289 54.584 54.840 0.056 0.000 0.820 1340 L CB 2.289 44.480 42.059 0.220 0.000 1.270 1340 L HN 0.918 nan 8.230 nan 0.000 0.415 1341 G N 3.528 111.913 108.800 -0.693 0.000 2.706 1341 G HA2 0.592 4.552 3.960 -0.000 0.000 0.297 1341 G HA3 0.592 4.552 3.960 -0.000 0.000 0.297 1341 G C -2.444 172.115 174.900 -0.568 0.000 1.403 1341 G CA -0.398 44.181 45.100 -0.868 0.000 0.954 1341 G HN 0.295 nan 8.290 nan 0.000 0.500 1342 L N 1.633 122.763 121.223 -0.155 0.000 2.385 1342 L HA 0.884 5.224 4.340 -0.000 0.000 0.273 1342 L C -0.894 176.045 176.870 0.116 0.000 0.990 1342 L CA -1.076 53.783 54.840 0.032 0.000 0.821 1342 L CB 1.902 43.987 42.059 0.044 0.000 1.279 1342 L HN 0.425 nan 8.230 nan 0.000 0.412 1343 V N 4.617 124.649 119.914 0.196 0.000 3.012 1343 V HA 0.429 4.549 4.120 -0.000 0.000 0.307 1343 V C -1.670 174.568 176.094 0.239 0.000 1.166 1343 V CA -0.782 61.640 62.300 0.202 0.000 0.974 1343 V CB 2.114 34.071 31.823 0.225 0.000 1.040 1343 V HN 0.676 nan 8.190 nan 0.000 0.428 1344 Y N 4.496 124.848 120.300 0.088 0.000 2.338 1344 Y HA 0.678 5.228 4.550 -0.000 0.000 0.333 1344 Y C -0.340 175.632 175.900 0.120 0.000 0.968 1344 Y CA -0.385 57.776 58.100 0.103 0.000 1.123 1344 Y CB 1.588 40.093 38.460 0.076 0.000 1.165 1344 Y HN 0.710 nan 8.280 nan 0.000 0.452 1345 Q N 6.541 126.174 119.800 -0.279 0.000 2.345 1345 Q HA 0.459 4.799 4.340 -0.000 0.000 0.268 1345 Q C -1.638 174.184 176.000 -0.296 0.000 1.054 1345 Q CA -0.739 54.978 55.803 -0.144 0.000 0.835 1345 Q CB 2.862 31.546 28.738 -0.090 0.000 1.339 1345 Q HN 0.682 nan 8.270 nan 0.000 0.447 1346 F N 0.000 119.892 119.950 -0.097 0.000 2.286 1346 F HA 0.000 4.527 4.527 -0.000 0.000 0.279 1346 F CA 0.000 57.997 58.000 -0.005 0.000 1.383 1346 F CB 0.000 39.117 39.000 0.195 0.000 1.145 1346 F HN 0.000 nan 8.300 nan 0.000 0.574