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 1tll_1_A DATA FIRST_RESID 750 DATA SEQUENCE AKRVKATILY ATETGKSQAY AKTLCEIFKH AFDAKAMSME EYDIVHLEHE DATA SEQUENCE ALVLVVTSTF GNGDPPENGE KFGCALMEMR HXXXXXEERK SYKVRFNSVS DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXGPLANVRF SVFGLGSRAY PHFCAFGHAV DATA SEQUENCE DTLLEELGGE RILKMREGDE LCGQEEAFRT WAKKVFKAAC DVFCVGDDVN DATA SEQUENCE IEXXXXXXXS NDRSWKRNKF RLTYVAEAPD LTQGLSNVHK KRVSAARLLS DATA SEQUENCE RQNLQSPKSS RSTIFVRLHT NGNQELQYQP GDHLGVFPGN HEDLVNALIE DATA SEQUENCE RLEDAPPANH VVKVEMLEER NTALGVISNW KDESRLPPCT IFQAFKYYLD DATA SEQUENCE ITTPPTPLQL QQFASLATNE KEKQRLLVLS KGLQEYEEWK WGKNPTMVEV DATA SEQUENCE LEEFPSIQMP ATLLLTQLSL LQPRYYSISS SPDMYPDEVH LTVAIVSYHT DATA SEQUENCE RDGEGPVHHG VCSSWLNRIQ ADDVVPCFVR GAPSFHLPRN PQVPCILVGP DATA SEQUENCE GTGIAPFRSF WQQRQFDIQH KGMNPCPMVL VFGCRQSKID HIYREETLQA DATA SEQUENCE KNKGVFRELY TAYSREPDRP KKYVQDVLQE QLAESVYRAL KEQGGHIYVC DATA SEQUENCE GDVTMAADVL KAIQRIMTQQ GKLSEEDAGV FISRLRDDNR YHEDIFGVTL DATA SEQUENCE RTYEVTNRLR SESI 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 750 A HA 0.000 nan 4.320 nan 0.000 0.244 750 A C 0.000 177.594 177.584 0.017 0.000 1.274 750 A CA 0.000 52.050 52.037 0.022 0.000 0.836 750 A CB 0.000 19.021 19.000 0.034 0.000 0.831 751 K N -0.764 119.638 120.400 0.002 0.000 2.139 751 K HA 0.843 5.785 4.320 1.037 0.000 0.243 751 K C 0.265 176.852 176.600 -0.023 0.000 0.983 751 K CA -0.811 55.467 56.287 -0.015 0.000 0.890 751 K CB 0.745 33.233 32.500 -0.019 0.000 1.090 751 K HN -0.017 nan 8.250 nan 0.000 0.445 752 R N 0.283 120.749 120.500 -0.055 0.000 2.983 752 R HA -0.095 4.868 4.340 1.037 0.000 0.272 752 R C -1.184 175.098 176.300 -0.029 0.000 0.926 752 R CA 0.158 56.225 56.100 -0.055 0.000 0.667 752 R CB -2.396 27.895 30.300 -0.015 0.000 1.540 752 R HN 0.621 nan 8.270 nan 0.000 0.467 753 V N 4.027 123.891 119.914 -0.084 0.000 2.673 753 V HA -0.024 4.719 4.120 1.037 0.000 0.303 753 V C 1.366 177.557 176.094 0.162 0.000 1.046 753 V CA 0.366 62.662 62.300 -0.008 0.000 1.126 753 V CB 0.577 32.320 31.823 -0.134 0.000 0.934 753 V HN 0.271 nan 8.190 nan 0.000 0.487 754 K N 3.965 124.427 120.400 0.103 0.000 2.276 754 K HA 0.673 5.615 4.320 1.037 0.000 0.283 754 K C -0.204 176.431 176.600 0.057 0.000 1.044 754 K CA -0.240 56.110 56.287 0.105 0.000 0.944 754 K CB 1.126 33.664 32.500 0.064 0.000 1.012 754 K HN 0.748 nan 8.250 nan 0.000 0.472 755 A N 2.684 125.522 122.820 0.031 0.000 2.285 755 A HA 0.320 5.262 4.320 1.037 0.000 0.310 755 A C -0.534 176.978 177.584 -0.120 0.000 1.266 755 A CA -0.713 51.232 52.037 -0.154 0.000 0.832 755 A CB 0.649 19.470 19.000 -0.299 0.000 1.163 755 A HN 0.611 nan 8.150 nan 0.000 0.499 756 T N 3.787 118.271 114.554 -0.116 0.000 2.738 756 T HA 0.425 5.397 4.350 1.037 0.000 0.298 756 T C -0.009 174.592 174.700 -0.165 0.000 0.962 756 T CA 0.174 62.212 62.100 -0.103 0.000 0.972 756 T CB 0.073 68.894 68.868 -0.078 0.000 0.928 756 T HN 0.465 nan 8.240 nan 0.000 0.474 757 I N 4.879 125.367 120.570 -0.136 0.000 2.291 757 I HA 0.292 5.084 4.170 1.037 0.000 0.290 757 I C -0.152 175.912 176.117 -0.090 0.000 1.050 757 I CA -0.531 60.703 61.300 -0.110 0.000 1.245 757 I CB 0.584 38.547 38.000 -0.063 0.000 1.405 757 I HN 0.375 nan 8.210 nan 0.000 0.478 758 L N 7.638 128.753 121.223 -0.181 0.000 2.325 758 L HA 0.479 5.441 4.340 1.037 0.000 0.279 758 L C -0.590 176.196 176.870 -0.140 0.000 1.054 758 L CA -0.772 53.890 54.840 -0.296 0.000 0.804 758 L CB 1.019 42.733 42.059 -0.574 0.000 1.200 758 L HN 0.482 nan 8.230 nan 0.000 0.436 759 Y N 1.432 121.620 120.300 -0.186 0.000 2.609 759 Y HA 0.909 6.077 4.550 1.030 0.000 0.342 759 Y C -1.029 174.817 175.900 -0.090 0.000 1.058 759 Y CA -1.335 56.695 58.100 -0.116 0.000 1.055 759 Y CB 1.766 40.185 38.460 -0.068 0.000 1.292 759 Y HN 0.559 nan 8.280 nan 0.000 0.476 760 A N 1.423 124.350 122.820 0.179 0.000 2.486 760 A HA 0.810 5.752 4.320 1.037 0.000 0.300 760 A C -0.950 176.755 177.584 0.202 0.000 1.048 760 A CA -0.211 51.905 52.037 0.131 0.000 0.696 760 A CB 1.818 20.932 19.000 0.191 0.000 1.278 760 A HN 1.191 nan 8.150 nan 0.000 0.405 761 T N -0.520 114.115 114.554 0.135 0.000 2.786 761 T HA 0.530 5.503 4.350 1.037 0.000 0.316 761 T C -0.754 173.917 174.700 -0.048 0.000 1.503 761 T CA -0.226 61.917 62.100 0.073 0.000 1.019 761 T CB 1.585 70.498 68.868 0.074 0.000 1.415 761 T HN 0.522 nan 8.240 nan 0.000 0.496 762 E N 0.316 120.434 120.200 -0.137 0.000 2.500 762 E HA 0.130 5.102 4.350 1.037 0.000 0.217 762 E C 1.257 177.751 176.600 -0.178 0.000 0.848 762 E CA 0.875 57.058 56.400 -0.362 0.000 1.217 762 E CB 1.103 30.060 29.700 -1.238 0.000 1.217 762 E HN 0.789 nan 8.360 nan 0.000 0.573 763 T N -3.642 110.884 114.554 -0.047 0.000 3.058 763 T HA 0.385 5.358 4.350 1.037 0.000 0.278 763 T C 1.297 175.990 174.700 -0.012 0.000 0.974 763 T CA 0.731 62.837 62.100 0.011 0.000 0.893 763 T CB 1.071 69.987 68.868 0.079 0.000 1.138 763 T HN 0.155 nan 8.240 nan 0.000 0.529 764 G N 1.772 110.545 108.800 -0.045 0.000 2.195 764 G HA2 -0.265 4.317 3.960 1.037 0.000 0.224 764 G HA3 -0.265 4.317 3.960 1.037 0.000 0.224 764 G C 0.908 175.680 174.900 -0.213 0.000 0.990 764 G CA 0.337 45.374 45.100 -0.106 0.000 0.639 764 G HN 0.511 nan 8.290 nan 0.000 0.514 765 K N 0.745 121.008 120.400 -0.228 0.000 2.025 765 K HA 0.021 4.963 4.320 1.037 0.000 0.207 765 K C 2.675 178.916 176.600 -0.598 0.000 1.049 765 K CA 1.597 57.604 56.287 -0.467 0.000 0.933 765 K CB -0.293 31.985 32.500 -0.369 0.000 0.714 765 K HN 0.323 nan 8.250 nan 0.000 0.438 766 S N 1.379 116.907 115.700 -0.287 0.000 2.370 766 S HA -0.234 4.859 4.470 1.037 0.000 0.226 766 S C 2.013 176.426 174.600 -0.313 0.000 1.033 766 S CA 1.298 59.395 58.200 -0.171 0.000 1.011 766 S CB -0.213 63.001 63.200 0.024 0.000 0.852 766 S HN 0.349 nan 8.310 nan 0.000 0.457 767 Q N 0.923 120.458 119.800 -0.441 0.000 2.096 767 Q HA -0.154 4.808 4.340 1.037 0.000 0.204 767 Q C 2.248 177.928 176.000 -0.533 0.000 0.982 767 Q CA 1.466 56.786 55.803 -0.805 0.000 0.850 767 Q CB -0.339 28.011 28.738 -0.647 0.000 0.901 767 Q HN 0.562 nan 8.270 nan 0.000 0.422 768 A N 0.180 122.748 122.820 -0.420 0.000 1.845 768 A HA -0.201 4.742 4.320 1.037 0.000 0.215 768 A C 1.812 179.255 177.584 -0.235 0.000 1.195 768 A CA 1.487 53.335 52.037 -0.315 0.000 0.616 768 A CB -1.168 17.622 19.000 -0.351 0.000 0.832 768 A HN 0.537 nan 8.150 nan 0.000 0.443 769 Y N 0.027 120.064 120.300 -0.437 0.000 2.193 769 Y HA -0.161 5.014 4.550 1.043 0.000 0.285 769 Y C 2.962 178.656 175.900 -0.344 0.000 1.166 769 Y CA 0.372 57.990 58.100 -0.803 0.000 1.181 769 Y CB -1.295 36.301 38.460 -1.440 0.000 0.976 769 Y HN 0.342 nan 8.280 nan 0.000 0.520 770 A N 0.079 122.843 122.820 -0.093 0.000 1.933 770 A HA -0.151 4.791 4.320 1.037 0.000 0.218 770 A C 2.327 179.918 177.584 0.013 0.000 1.175 770 A CA 1.406 53.445 52.037 0.002 0.000 0.628 770 A CB -0.319 18.632 19.000 -0.082 0.000 0.814 770 A HN 0.181 nan 8.150 nan 0.000 0.444 771 K N -0.401 119.963 120.400 -0.060 0.000 2.025 771 K HA -0.074 4.868 4.320 1.037 0.000 0.207 771 K C 2.054 178.685 176.600 0.051 0.000 1.049 771 K CA 1.802 58.079 56.287 -0.017 0.000 0.933 771 K CB -1.239 31.229 32.500 -0.054 0.000 0.714 771 K HN 0.490 nan 8.250 nan 0.000 0.438 772 T N 2.489 117.100 114.554 0.095 0.000 2.759 772 T HA -0.153 4.820 4.350 1.037 0.000 0.269 772 T C 1.847 176.647 174.700 0.166 0.000 1.042 772 T CA 1.091 63.286 62.100 0.158 0.000 1.140 772 T CB -0.220 68.827 68.868 0.298 0.000 0.864 772 T HN 0.048 nan 8.240 nan 0.000 0.455 773 L N 0.495 121.876 121.223 0.264 0.000 2.156 773 L HA 0.097 5.059 4.340 1.037 0.000 0.208 773 L C 2.590 179.527 176.870 0.111 0.000 1.095 773 L CA 1.207 56.171 54.840 0.207 0.000 0.770 773 L CB -0.776 41.472 42.059 0.314 0.000 0.914 773 L HN 0.391 nan 8.230 nan 0.000 0.439 774 C N -0.476 118.871 119.300 0.078 0.000 2.466 774 C HA -0.101 4.981 4.460 1.037 0.000 0.278 774 C C 2.737 177.770 174.990 0.072 0.000 1.288 774 C CA 0.948 60.005 59.018 0.065 0.000 1.722 774 C CB -0.586 27.185 27.740 0.052 0.000 2.017 774 C HN 0.686 nan 8.230 nan 0.000 0.488 775 E N 0.821 121.044 120.200 0.038 0.000 2.085 775 E HA -0.161 4.811 4.350 1.037 0.000 0.194 775 E C 1.835 178.363 176.600 -0.119 0.000 0.994 775 E CA 1.877 58.283 56.400 0.011 0.000 0.801 775 E CB -0.356 29.352 29.700 0.014 0.000 0.743 775 E HN 0.724 nan 8.360 nan 0.000 0.453 776 I N -0.631 119.792 120.570 -0.245 0.000 2.163 776 I HA -0.227 4.565 4.170 1.037 0.000 0.240 776 I C 1.696 177.353 176.117 -0.767 0.000 1.081 776 I CA 0.929 61.807 61.300 -0.703 0.000 1.353 776 I CB -0.336 37.287 38.000 -0.629 0.000 1.054 776 I HN 0.081 nan 8.210 nan 0.000 0.407 777 F N 1.449 121.160 119.950 -0.398 0.000 2.494 777 F HA -0.113 5.038 4.527 1.039 0.000 0.298 777 F C 2.277 178.181 175.800 0.174 0.000 1.106 777 F CA 1.010 59.011 58.000 0.003 0.000 1.452 777 F CB -0.471 38.534 39.000 0.009 0.000 1.085 777 F HN -0.055 nan 8.300 nan 0.000 0.569 778 K N -0.486 120.041 120.400 0.211 0.000 2.283 778 K HA -0.146 4.796 4.320 1.037 0.000 0.202 778 K C 1.771 178.563 176.600 0.320 0.000 1.048 778 K CA 0.966 57.404 56.287 0.251 0.000 0.948 778 K CB -0.541 32.075 32.500 0.192 0.000 0.742 778 K HN 0.509 nan 8.250 nan 0.000 0.458 779 H N -0.275 118.853 119.070 0.097 0.000 2.293 779 H HA -0.101 5.078 4.556 1.038 0.000 0.300 779 H C 1.803 177.228 175.328 0.162 0.000 1.082 779 H CA 1.269 57.379 56.048 0.105 0.000 1.308 779 H CB 0.207 30.008 29.762 0.065 0.000 1.375 779 H HN 0.227 nan 8.280 nan 0.000 0.495 780 A N -0.004 123.081 122.820 0.440 0.000 2.167 780 A HA 0.210 5.153 4.320 1.037 0.000 0.208 780 A C 0.146 177.694 177.584 -0.061 0.000 1.198 780 A CA -0.033 52.080 52.037 0.127 0.000 0.863 780 A CB 0.427 19.408 19.000 -0.031 0.000 0.904 780 A HN 0.087 nan 8.150 nan 0.000 0.484 781 F N -0.900 119.145 119.950 0.158 0.000 2.639 781 F HA 0.500 5.650 4.527 1.039 0.000 0.339 781 F C -0.261 175.607 175.800 0.113 0.000 1.071 781 F CA -1.417 56.655 58.000 0.121 0.000 0.994 781 F CB 0.869 39.986 39.000 0.195 0.000 1.341 781 F HN -0.101 nan 8.300 nan 0.000 0.498 782 D N 1.282 121.865 120.400 0.305 0.000 2.485 782 D HA 0.487 5.749 4.640 1.037 0.000 0.221 782 D C -0.814 175.593 176.300 0.177 0.000 1.112 782 D CA -0.001 54.107 54.000 0.180 0.000 0.911 782 D CB 0.332 41.198 40.800 0.110 0.000 1.019 782 D HN 0.642 nan 8.370 nan 0.000 0.516 783 A N 3.186 126.113 122.820 0.178 0.000 2.303 783 A HA 0.734 5.676 4.320 1.037 0.000 0.317 783 A C -0.196 177.432 177.584 0.074 0.000 1.149 783 A CA -0.614 51.493 52.037 0.116 0.000 0.822 783 A CB 1.059 20.147 19.000 0.148 0.000 1.131 783 A HN 0.326 nan 8.150 nan 0.000 0.493 784 K N 0.214 120.638 120.400 0.040 0.000 2.501 784 K HA 0.685 5.627 4.320 1.037 0.000 0.252 784 K C -1.094 175.529 176.600 0.038 0.000 0.934 784 K CA -0.023 56.294 56.287 0.048 0.000 0.797 784 K CB 2.028 34.564 32.500 0.060 0.000 1.270 784 K HN 0.952 nan 8.250 nan 0.000 0.431 785 A N 4.743 127.607 122.820 0.072 0.000 2.267 785 A HA 0.739 5.681 4.320 1.037 0.000 0.315 785 A C -0.892 176.800 177.584 0.180 0.000 1.297 785 A CA -0.535 51.575 52.037 0.121 0.000 0.865 785 A CB 0.060 19.133 19.000 0.122 0.000 1.165 785 A HN 0.658 nan 8.150 nan 0.000 0.513 786 M N 1.956 121.617 119.600 0.102 0.000 2.464 786 M HA 0.352 5.455 4.480 1.037 0.000 0.308 786 M C 0.425 176.456 176.300 -0.447 0.000 1.127 786 M CA -0.560 54.728 55.300 -0.020 0.000 0.913 786 M CB 2.339 34.951 32.600 0.019 0.000 1.689 786 M HN 0.730 nan 8.290 nan 0.000 0.445 787 S N 2.027 117.315 115.700 -0.687 0.000 2.572 787 S HA 0.147 5.239 4.470 1.037 0.000 0.279 787 S C 1.064 175.349 174.600 -0.524 0.000 1.341 787 S CA -0.220 57.318 58.200 -1.103 0.000 1.043 787 S CB 0.608 63.461 63.200 -0.579 0.000 0.887 787 S HN 0.866 nan 8.310 nan 0.000 0.516 788 M N 2.315 121.617 119.600 -0.495 0.000 2.195 788 M HA -0.166 4.937 4.480 1.037 0.000 0.260 788 M C 2.161 178.431 176.300 -0.049 0.000 1.066 788 M CA 2.143 57.248 55.300 -0.325 0.000 1.089 788 M CB -0.437 31.958 32.600 -0.342 0.000 1.377 788 M HN 0.966 nan 8.290 nan 0.000 0.411 789 E N -0.272 119.886 120.200 -0.070 0.000 2.230 789 E HA -0.182 4.790 4.350 1.037 0.000 0.192 789 E C 1.694 178.299 176.600 0.010 0.000 0.987 789 E CA 0.876 57.276 56.400 0.000 0.000 0.841 789 E CB -0.347 29.338 29.700 -0.024 0.000 0.783 789 E HN 0.563 nan 8.360 nan 0.000 0.481 790 E N 0.091 120.280 120.200 -0.018 0.000 2.208 790 E HA -0.130 4.842 4.350 1.037 0.000 0.193 790 E C -0.189 176.454 176.600 0.071 0.000 0.988 790 E CA 0.102 56.508 56.400 0.010 0.000 0.828 790 E CB 0.044 29.737 29.700 -0.012 0.000 0.763 790 E HN 0.273 nan 8.360 nan 0.000 0.478 791 Y N 1.458 121.732 120.300 -0.043 0.000 2.411 791 Y HA 0.040 5.212 4.550 1.037 0.000 0.333 791 Y C -0.302 175.611 175.900 0.023 0.000 1.186 791 Y CA -0.432 57.673 58.100 0.008 0.000 1.381 791 Y CB 0.811 39.269 38.460 -0.002 0.000 1.273 791 Y HN -0.178 nan 8.280 nan 0.000 0.546 792 D N 5.922 125.945 120.400 -0.628 0.000 2.396 792 D HA 0.033 5.296 4.640 1.037 0.000 0.225 792 D C 0.866 176.654 176.300 -0.854 0.000 1.121 792 D CA -0.126 53.510 54.000 -0.607 0.000 0.853 792 D CB 0.660 41.083 40.800 -0.628 0.000 1.043 792 D HN 0.778 nan 8.370 nan 0.000 0.500 793 I N 4.318 124.665 120.570 -0.372 0.000 2.623 793 I HA -0.256 4.537 4.170 1.037 0.000 0.261 793 I C 1.895 177.865 176.117 -0.244 0.000 1.204 793 I CA 1.002 62.203 61.300 -0.165 0.000 1.444 793 I CB 0.272 38.219 38.000 -0.088 0.000 1.094 793 I HN 0.335 nan 8.210 nan 0.000 0.451 794 V N 0.228 119.908 119.914 -0.391 0.000 2.759 794 V HA -0.267 4.475 4.120 1.037 0.000 0.256 794 V C 2.283 178.178 176.094 -0.332 0.000 1.080 794 V CA 1.667 63.759 62.300 -0.346 0.000 1.101 794 V CB -1.123 30.490 31.823 -0.350 0.000 0.698 794 V HN 0.489 nan 8.190 nan 0.000 0.477 795 H N -1.274 117.639 119.070 -0.261 0.000 2.436 795 H HA 0.037 5.215 4.556 1.037 0.000 0.294 795 H C 2.115 177.423 175.328 -0.033 0.000 1.048 795 H CA 0.822 56.769 56.048 -0.167 0.000 1.353 795 H CB -0.298 29.404 29.762 -0.101 0.000 1.414 795 H HN 0.288 nan 8.280 nan 0.000 0.536 796 L N 1.965 123.324 121.223 0.227 0.000 2.058 796 L HA -0.319 4.643 4.340 1.037 0.000 0.226 796 L C 2.467 179.420 176.870 0.138 0.000 1.089 796 L CA 2.480 57.482 54.840 0.269 0.000 0.799 796 L CB -0.597 41.606 42.059 0.240 0.000 0.900 796 L HN 0.496 nan 8.230 nan 0.000 0.442 797 E N -2.164 118.045 120.200 0.014 0.000 2.333 797 E HA -0.244 4.728 4.350 1.037 0.000 0.198 797 E C 1.282 178.032 176.600 0.250 0.000 1.007 797 E CA 1.841 58.289 56.400 0.080 0.000 0.845 797 E CB -0.606 29.118 29.700 0.040 0.000 0.766 797 E HN 0.775 nan 8.360 nan 0.000 0.507 798 H N -0.425 118.728 119.070 0.139 0.000 2.549 798 H HA 0.235 5.414 4.556 1.038 0.000 0.279 798 H C -0.091 175.318 175.328 0.134 0.000 1.018 798 H CA -0.692 55.430 56.048 0.124 0.000 1.175 798 H CB 0.506 30.334 29.762 0.110 0.000 1.485 798 H HN 0.030 nan 8.280 nan 0.000 0.543 799 E N 0.918 121.274 120.200 0.260 0.000 2.354 799 E HA 0.233 5.206 4.350 1.037 0.000 0.269 799 E C 0.561 177.280 176.600 0.199 0.000 1.036 799 E CA 0.092 56.620 56.400 0.213 0.000 0.876 799 E CB 1.157 30.984 29.700 0.211 0.000 1.009 799 E HN 0.353 nan 8.360 nan 0.000 0.416 800 A N 3.988 126.907 122.820 0.166 0.000 1.887 800 A HA 0.171 5.113 4.320 1.037 0.000 0.212 800 A C 0.065 177.798 177.584 0.247 0.000 1.198 800 A CA 0.416 52.581 52.037 0.213 0.000 0.628 800 A CB 0.144 19.233 19.000 0.149 0.000 0.847 800 A HN 0.430 nan 8.150 nan 0.000 0.449 801 L N -0.032 121.245 121.223 0.090 0.000 2.410 801 L HA 0.673 5.635 4.340 1.037 0.000 0.270 801 L C -1.482 175.395 176.870 0.012 0.000 0.983 801 L CA -0.721 54.157 54.840 0.063 0.000 0.822 801 L CB 2.259 44.211 42.059 -0.180 0.000 1.285 801 L HN -0.033 nan 8.230 nan 0.000 0.409 802 V N 6.329 126.286 119.914 0.072 0.000 2.525 802 V HA 0.491 5.233 4.120 1.037 0.000 0.299 802 V C -0.528 175.597 176.094 0.051 0.000 1.034 802 V CA -0.462 61.851 62.300 0.023 0.000 0.863 802 V CB 1.735 33.596 31.823 0.063 0.000 0.999 802 V HN 0.623 nan 8.190 nan 0.000 0.423 803 L N 5.322 126.515 121.223 -0.050 0.000 2.305 803 L HA 0.660 5.623 4.340 1.037 0.000 0.284 803 L C -0.568 176.324 176.870 0.037 0.000 1.013 803 L CA -0.769 54.093 54.840 0.037 0.000 0.819 803 L CB 2.009 44.017 42.059 -0.085 0.000 1.227 803 L HN 0.348 nan 8.230 nan 0.000 0.417 804 V N 4.431 124.395 119.914 0.084 0.000 2.398 804 V HA 0.423 5.166 4.120 1.037 0.000 0.286 804 V C -0.132 175.965 176.094 0.006 0.000 1.026 804 V CA -0.557 61.725 62.300 -0.029 0.000 0.868 804 V CB 2.099 33.849 31.823 -0.123 0.000 0.982 804 V HN 0.427 nan 8.190 nan 0.000 0.443 805 V N 4.211 124.140 119.914 0.026 0.000 2.380 805 V HA 0.628 5.370 4.120 1.037 0.000 0.286 805 V C -0.127 176.003 176.094 0.060 0.000 1.015 805 V CA -0.195 62.155 62.300 0.082 0.000 0.834 805 V CB 1.645 33.568 31.823 0.166 0.000 1.009 805 V HN 0.948 nan 8.190 nan 0.000 0.428 806 T N 2.933 117.485 114.554 -0.004 0.000 2.923 806 T HA 0.613 5.585 4.350 1.037 0.000 0.311 806 T C 0.004 174.735 174.700 0.051 0.000 1.183 806 T CA 0.068 62.197 62.100 0.048 0.000 1.020 806 T CB 1.921 70.801 68.868 0.019 0.000 1.165 806 T HN 0.826 nan 8.240 nan 0.000 0.482 807 S N 2.687 118.469 115.700 0.137 0.000 2.666 807 S HA 0.824 5.916 4.470 1.037 0.000 0.279 807 S C -0.215 174.503 174.600 0.197 0.000 1.149 807 S CA -0.569 57.706 58.200 0.125 0.000 1.020 807 S CB 1.156 64.467 63.200 0.184 0.000 1.127 807 S HN 0.792 nan 8.310 nan 0.000 0.537 808 T N 0.629 115.266 114.554 0.138 0.000 2.900 808 T HA 0.708 5.680 4.350 1.037 0.000 0.295 808 T C -1.463 173.278 174.700 0.068 0.000 1.044 808 T CA -0.213 61.965 62.100 0.130 0.000 0.995 808 T CB 0.853 69.755 68.868 0.056 0.000 1.072 808 T HN 0.499 nan 8.240 nan 0.000 0.473 809 F N 0.181 120.072 119.950 -0.099 0.000 2.790 809 F HA 0.675 5.181 4.527 -0.034 0.000 0.337 809 F C 1.302 177.031 175.800 -0.119 0.000 1.163 809 F CA 0.605 58.518 58.000 -0.145 0.000 0.997 809 F CB 1.234 40.149 39.000 -0.143 0.000 1.437 809 F HN 0.843 nan 8.300 nan 0.000 0.512 810 G N 1.634 110.450 108.800 0.027 0.000 2.672 810 G HA2 -0.403 4.179 3.960 1.037 0.000 0.324 810 G HA3 -0.403 4.179 3.960 1.037 0.000 0.324 810 G C -0.003 174.917 174.900 0.034 0.000 1.286 810 G CA 0.723 45.841 45.100 0.029 0.000 1.004 810 G HN 0.791 nan 8.290 nan 0.000 0.548 811 N N 2.310 121.072 118.700 0.103 0.000 3.322 811 N HA 0.484 5.846 4.740 1.037 0.000 0.290 811 N C 0.999 176.642 175.510 0.223 0.000 1.297 811 N CA 1.478 54.636 53.050 0.180 0.000 1.167 811 N CB -0.543 38.057 38.487 0.188 0.000 1.434 811 N HN 1.938 nan 8.380 nan 0.000 0.526 812 G N 0.890 109.814 108.800 0.206 0.000 2.176 812 G HA2 -0.227 4.355 3.960 1.037 0.000 0.252 812 G HA3 -0.227 4.355 3.960 1.037 0.000 0.252 812 G C -0.404 174.660 174.900 0.273 0.000 1.024 812 G CA 0.026 45.279 45.100 0.256 0.000 0.755 812 G HN 0.507 nan 8.290 nan 0.000 0.507 813 D N 0.081 120.568 120.400 0.145 0.000 2.440 813 D HA 0.496 5.758 4.640 1.037 0.000 0.258 813 D C -2.433 173.784 176.300 -0.139 0.000 1.092 813 D CA -1.480 52.527 54.000 0.012 0.000 1.016 813 D CB 1.221 41.991 40.800 -0.049 0.000 1.141 813 D HN 0.044 nan 8.370 nan 0.000 0.552 814 P HA 0.215 nan 4.420 nan 0.000 0.274 814 P C -2.469 174.537 177.300 -0.490 0.000 1.231 814 P CA -0.870 61.604 63.100 -1.044 0.000 0.790 814 P CB 0.067 30.975 31.700 -1.320 0.000 0.951 815 P HA 0.003 nan 4.420 nan 0.000 0.271 815 P C 0.984 178.144 177.300 -0.233 0.000 1.233 815 P CA -0.002 62.990 63.100 -0.179 0.000 0.789 815 P CB 0.435 32.087 31.700 -0.081 0.000 0.951 816 E N 1.561 121.638 120.200 -0.206 0.000 2.085 816 E HA -0.264 4.709 4.350 1.037 0.000 0.194 816 E C 1.002 177.528 176.600 -0.123 0.000 0.994 816 E CA 1.519 57.825 56.400 -0.157 0.000 0.801 816 E CB -0.317 29.311 29.700 -0.120 0.000 0.743 816 E HN 0.458 nan 8.360 nan 0.000 0.453 817 N N -0.777 117.862 118.700 -0.102 0.000 2.501 817 N HA -0.005 5.357 4.740 1.037 0.000 0.195 817 N C 0.951 176.420 175.510 -0.067 0.000 1.213 817 N CA 0.846 53.853 53.050 -0.072 0.000 0.864 817 N CB 0.394 38.846 38.487 -0.057 0.000 0.999 817 N HN 0.131 nan 8.380 nan 0.000 0.454 818 G N -0.499 108.237 108.800 -0.106 0.000 2.833 818 G HA2 0.036 4.618 3.960 1.037 0.000 0.214 818 G HA3 0.036 4.618 3.960 1.037 0.000 0.214 818 G C 1.068 175.904 174.900 -0.106 0.000 1.075 818 G CA -0.267 44.798 45.100 -0.058 0.000 0.799 818 G HN 0.278 nan 8.290 nan 0.000 0.541 819 E N 0.799 120.877 120.200 -0.204 0.000 2.070 819 E HA -0.210 4.763 4.350 1.037 0.000 0.197 819 E C 2.178 178.737 176.600 -0.067 0.000 1.004 819 E CA 1.484 57.767 56.400 -0.195 0.000 0.805 819 E CB -0.024 29.570 29.700 -0.175 0.000 0.744 819 E HN 0.414 nan 8.360 nan 0.000 0.451 820 K N 0.613 121.007 120.400 -0.010 0.000 2.032 820 K HA -0.205 4.738 4.320 1.037 0.000 0.209 820 K C 1.919 178.564 176.600 0.075 0.000 1.048 820 K CA 1.428 57.728 56.287 0.022 0.000 0.927 820 K CB -0.340 32.180 32.500 0.032 0.000 0.712 820 K HN 0.084 nan 8.250 nan 0.000 0.441 821 F N 0.615 120.571 119.950 0.009 0.000 2.186 821 F HA 0.031 5.180 4.527 1.037 0.000 0.299 821 F C 1.888 177.732 175.800 0.073 0.000 1.090 821 F CA 1.821 59.853 58.000 0.054 0.000 1.307 821 F CB -0.541 38.509 39.000 0.084 0.000 1.019 821 F HN 0.149 nan 8.300 nan 0.000 0.489 822 G N -0.751 108.210 108.800 0.270 0.000 2.408 822 G HA2 -0.236 4.347 3.960 1.037 0.000 0.217 822 G HA3 -0.236 4.347 3.960 1.037 0.000 0.217 822 G C 1.670 176.570 174.900 0.000 0.000 1.150 822 G CA 0.996 46.222 45.100 0.210 0.000 0.776 822 G HN 0.490 nan 8.290 nan 0.000 0.542 823 C N 0.933 120.205 119.300 -0.047 0.000 2.453 823 C HA 0.196 5.278 4.460 1.037 0.000 0.277 823 C C 3.524 178.461 174.990 -0.088 0.000 1.262 823 C CA 0.745 59.720 59.018 -0.071 0.000 1.718 823 C CB -0.962 26.737 27.740 -0.070 0.000 2.031 823 C HN 0.567 nan 8.230 nan 0.000 0.480 824 A N 0.676 123.423 122.820 -0.123 0.000 1.873 824 A HA -0.196 4.746 4.320 1.037 0.000 0.218 824 A C 2.135 179.606 177.584 -0.188 0.000 1.193 824 A CA 1.878 53.817 52.037 -0.163 0.000 0.629 824 A CB -0.764 18.103 19.000 -0.222 0.000 0.826 824 A HN 0.622 nan 8.150 nan 0.000 0.447 825 L N -2.165 118.895 121.223 -0.271 0.000 1.994 825 L HA -0.210 4.753 4.340 1.037 0.000 0.208 825 L C 2.752 179.574 176.870 -0.079 0.000 1.071 825 L CA 1.785 56.495 54.840 -0.216 0.000 0.745 825 L CB -0.480 41.427 42.059 -0.254 0.000 0.892 825 L HN 0.438 nan 8.230 nan 0.000 0.431 826 M N -0.135 119.436 119.600 -0.048 0.000 2.192 826 M HA -0.230 4.872 4.480 1.037 0.000 0.259 826 M C 2.031 178.327 176.300 -0.008 0.000 1.071 826 M CA 1.706 57.002 55.300 -0.008 0.000 1.082 826 M CB -0.354 32.231 32.600 -0.024 0.000 1.373 826 M HN 0.148 nan 8.290 nan 0.000 0.408 827 E N -0.586 119.599 120.200 -0.024 0.000 2.021 827 E HA -0.091 4.882 4.350 1.037 0.000 0.189 827 E C 2.100 178.721 176.600 0.035 0.000 0.980 827 E CA 1.545 57.949 56.400 0.006 0.000 0.803 827 E CB -0.759 28.926 29.700 -0.025 0.000 0.766 827 E HN 0.574 nan 8.360 nan 0.000 0.449 828 M N 0.669 120.266 119.600 -0.006 0.000 2.195 828 M HA -0.192 4.911 4.480 1.037 0.000 0.260 828 M C 2.218 178.536 176.300 0.030 0.000 1.066 828 M CA 1.429 56.727 55.300 -0.003 0.000 1.089 828 M CB -0.303 32.275 32.600 -0.037 0.000 1.377 828 M HN -0.070 nan 8.290 nan 0.000 0.411 829 R N -0.399 120.140 120.500 0.064 0.000 2.240 829 R HA 0.063 5.025 4.340 1.037 0.000 0.203 829 R C 0.237 176.617 176.300 0.135 0.000 1.011 829 R CA 0.877 57.037 56.100 0.100 0.000 1.007 829 R CB -0.114 30.268 30.300 0.136 0.000 0.911 829 R HN 0.286 nan 8.270 nan 0.000 0.468 837 E N -1.235 118.934 120.200 -0.052 0.000 2.375 837 E HA 1.137 6.110 4.350 1.037 0.000 0.280 837 E C 0.064 176.652 176.600 -0.021 0.000 0.972 837 E CA 0.799 57.175 56.400 -0.039 0.000 0.782 837 E CB 0.810 30.516 29.700 0.011 0.000 1.229 837 E HN 2.350 nan 8.360 nan 0.000 0.439 838 R N 0.138 120.653 120.500 0.025 0.000 3.309 838 R HA 0.697 5.660 4.340 1.037 0.000 0.273 838 R C -0.690 175.741 176.300 0.218 0.000 0.905 838 R CA -0.149 55.995 56.100 0.073 0.000 0.799 838 R CB -1.018 29.288 30.300 0.010 0.000 1.464 838 R HN 1.553 nan 8.270 nan 0.000 0.505 839 K N 0.942 121.410 120.400 0.114 0.000 5.551 839 K HA -0.094 4.848 4.320 1.037 0.000 0.637 839 K C 0.304 176.955 176.600 0.086 0.000 1.964 839 K CA 1.141 57.478 56.287 0.084 0.000 1.444 839 K CB -0.683 31.842 32.500 0.043 0.000 1.845 839 K HN 1.470 nan 8.250 nan 0.000 0.279 840 S N 2.110 117.817 115.700 0.011 0.000 2.693 840 S HA 0.235 5.328 4.470 1.037 0.000 0.276 840 S C 0.868 175.487 174.600 0.032 0.000 1.192 840 S CA -0.486 57.722 58.200 0.013 0.000 0.994 840 S CB 0.757 63.963 63.200 0.011 0.000 1.012 840 S HN 0.570 nan 8.310 nan 0.000 0.550 841 Y N 1.633 121.935 120.300 0.004 0.000 2.145 841 Y HA -0.038 5.133 4.550 1.035 0.000 0.286 841 Y C 2.130 178.063 175.900 0.055 0.000 1.145 841 Y CA 1.843 60.011 58.100 0.113 0.000 1.148 841 Y CB -0.318 38.203 38.460 0.102 0.000 0.981 841 Y HN 0.720 nan 8.280 nan 0.000 0.507 842 K N -0.639 119.836 120.400 0.124 0.000 2.211 842 K HA -0.104 4.839 4.320 1.037 0.000 0.203 842 K C 1.905 178.406 176.600 -0.166 0.000 1.050 842 K CA 1.256 57.531 56.287 -0.022 0.000 0.945 842 K CB -0.169 32.350 32.500 0.031 0.000 0.732 842 K HN 0.239 nan 8.250 nan 0.000 0.451 843 V N 1.646 121.470 119.914 -0.151 0.000 2.273 843 V HA -0.203 4.540 4.120 1.037 0.000 0.242 843 V C 2.212 178.136 176.094 -0.284 0.000 1.035 843 V CA 1.571 63.762 62.300 -0.182 0.000 1.013 843 V CB -0.404 31.341 31.823 -0.130 0.000 0.652 843 V HN 0.290 nan 8.190 nan 0.000 0.452 844 R N -0.423 119.824 120.500 -0.421 0.000 2.062 844 R HA -0.016 4.946 4.340 1.037 0.000 0.229 844 R C 2.181 177.966 176.300 -0.858 0.000 1.128 844 R CA 1.673 57.353 56.100 -0.699 0.000 0.960 844 R CB -0.481 29.188 30.300 -1.052 0.000 0.855 844 R HN 0.465 nan 8.270 nan 0.000 0.432 845 F N 0.341 120.074 119.950 -0.362 0.000 2.619 845 F HA 0.179 5.328 4.527 1.037 0.000 0.293 845 F C 0.557 176.122 175.800 -0.392 0.000 1.119 845 F CA -0.036 57.728 58.000 -0.393 0.000 1.445 845 F CB 0.294 38.950 39.000 -0.574 0.000 1.119 845 F HN -0.113 nan 8.300 nan 0.000 0.573 846 N N 0.252 118.700 118.700 -0.421 0.000 2.813 846 N HA 0.127 5.489 4.740 1.037 0.000 0.282 846 N C -0.922 174.235 175.510 -0.589 0.000 1.748 846 N CA 0.077 52.637 53.050 -0.817 0.000 0.860 846 N CB 1.261 39.298 38.487 -0.749 0.000 1.204 846 N HN -0.160 nan 8.380 nan 0.000 0.490 847 S N -0.188 115.350 115.700 -0.270 0.000 2.565 847 S HA 0.303 5.395 4.470 1.037 0.000 0.290 847 S C 1.121 175.742 174.600 0.035 0.000 1.150 847 S CA -0.518 57.613 58.200 -0.114 0.000 1.058 847 S CB 1.035 64.153 63.200 -0.136 0.000 1.032 847 S HN 0.140 nan 8.310 nan 0.000 0.510 848 V N 3.422 123.333 119.914 -0.005 0.000 3.306 848 V HA 0.282 5.024 4.120 1.037 0.000 0.309 848 V C 0.928 177.024 176.094 0.004 0.000 1.173 848 V CA 1.150 63.453 62.300 0.006 0.000 1.324 848 V CB -2.154 29.648 31.823 -0.036 0.000 1.036 848 V HN 0.856 nan 8.190 nan 0.000 0.420 873 P HA 0.003 nan 4.420 nan 0.000 0.218 873 P C 1.271 178.610 177.300 0.065 0.000 1.148 873 P CA 0.843 63.971 63.100 0.047 0.000 0.822 873 P CB 0.248 31.963 31.700 0.026 0.000 0.784 874 L N -1.889 119.375 121.223 0.067 0.000 2.928 874 L HA 0.340 5.303 4.340 1.037 0.000 0.246 874 L C 1.808 178.749 176.870 0.118 0.000 1.239 874 L CA -0.286 54.610 54.840 0.092 0.000 1.035 874 L CB -0.440 41.662 42.059 0.070 0.000 1.360 874 L HN -0.096 nan 8.230 nan 0.000 0.529 875 A N 0.762 123.645 122.820 0.105 0.000 1.948 875 A HA -0.286 4.656 4.320 1.037 0.000 0.220 875 A C 2.016 179.670 177.584 0.117 0.000 1.177 875 A CA 2.353 54.452 52.037 0.103 0.000 0.636 875 A CB -0.629 18.419 19.000 0.081 0.000 0.815 875 A HN 0.650 nan 8.150 nan 0.000 0.449 876 N N -0.919 117.859 118.700 0.129 0.000 2.396 876 N HA -0.029 5.333 4.740 1.037 0.000 0.180 876 N C -0.165 175.455 175.510 0.183 0.000 1.028 876 N CA 0.452 53.589 53.050 0.145 0.000 0.893 876 N CB -0.028 38.550 38.487 0.152 0.000 0.967 876 N HN 0.249 nan 8.380 nan 0.000 0.440 877 V N 1.879 121.911 119.914 0.197 0.000 2.583 877 V HA 0.280 5.022 4.120 1.037 0.000 0.287 877 V C 0.206 176.476 176.094 0.293 0.000 1.051 877 V CA -0.253 62.194 62.300 0.245 0.000 1.010 877 V CB 1.312 33.272 31.823 0.228 0.000 0.988 877 V HN 0.199 nan 8.190 nan 0.000 0.478 878 R N 4.025 124.715 120.500 0.317 0.000 2.562 878 R HA 0.753 5.715 4.340 1.037 0.000 0.298 878 R C -1.014 175.470 176.300 0.307 0.000 0.961 878 R CA -0.363 55.894 56.100 0.262 0.000 0.881 878 R CB 2.187 32.647 30.300 0.267 0.000 1.159 878 R HN 0.749 nan 8.270 nan 0.000 0.450 879 F N -1.792 118.230 119.950 0.119 0.000 2.745 879 F HA 0.748 5.897 4.527 1.037 0.000 0.316 879 F C -1.039 174.834 175.800 0.122 0.000 1.155 879 F CA -1.001 57.057 58.000 0.097 0.000 0.937 879 F CB 1.985 41.031 39.000 0.076 0.000 1.361 879 F HN 0.363 nan 8.300 nan 0.000 0.472 880 S N 0.403 116.268 115.700 0.274 0.000 2.543 880 S HA 0.741 5.833 4.470 1.037 0.000 0.274 880 S C -2.065 172.815 174.600 0.467 0.000 1.149 880 S CA -0.590 57.785 58.200 0.291 0.000 0.866 880 S CB 1.802 65.192 63.200 0.316 0.000 1.111 880 S HN 0.769 nan 8.310 nan 0.000 0.457 881 V N 3.792 123.911 119.914 0.342 0.000 2.680 881 V HA 0.684 5.426 4.120 1.037 0.000 0.309 881 V C -1.053 174.869 176.094 -0.287 0.000 1.052 881 V CA -0.690 61.651 62.300 0.068 0.000 0.908 881 V CB 1.620 33.428 31.823 -0.025 0.000 1.001 881 V HN 0.802 nan 8.190 nan 0.000 0.431 882 F N 2.541 122.088 119.950 -0.670 0.000 2.507 882 F HA 0.823 5.970 4.527 1.035 0.000 0.328 882 F C 0.340 175.846 175.800 -0.491 0.000 1.136 882 F CA -0.396 57.046 58.000 -0.929 0.000 0.930 882 F CB 1.668 39.818 39.000 -1.416 0.000 1.166 882 F HN 0.598 nan 8.300 nan 0.000 0.436 883 G N 6.161 114.350 108.800 -1.018 0.000 2.461 883 G HA2 0.615 5.197 3.960 1.037 0.000 0.323 883 G HA3 0.615 5.197 3.960 1.037 0.000 0.323 883 G C -1.840 172.639 174.900 -0.701 0.000 1.229 883 G CA -0.684 44.006 45.100 -0.683 0.000 0.941 883 G HN 0.515 nan 8.290 nan 0.000 0.477 884 L N 1.171 122.211 121.223 -0.305 0.000 2.360 884 L HA 0.905 5.867 4.340 1.037 0.000 0.271 884 L C 0.939 177.721 176.870 -0.148 0.000 1.057 884 L CA 0.326 55.092 54.840 -0.124 0.000 0.803 884 L CB 1.649 43.760 42.059 0.087 0.000 1.207 884 L HN 0.876 nan 8.230 nan 0.000 0.445 885 G N -0.134 108.641 108.800 -0.042 0.000 2.435 885 G HA2 0.525 5.107 3.960 1.037 0.000 0.296 885 G HA3 0.525 5.107 3.960 1.037 0.000 0.296 885 G C -1.718 173.391 174.900 0.348 0.000 1.240 885 G CA -0.087 45.031 45.100 0.030 0.000 0.872 885 G HN 0.599 nan 8.290 nan 0.000 0.480 886 S N -1.239 114.797 115.700 0.560 0.000 2.566 886 S HA 0.473 5.565 4.470 1.037 0.000 0.273 886 S C 0.539 175.282 174.600 0.238 0.000 1.157 886 S CA -0.504 57.952 58.200 0.426 0.000 0.938 886 S CB 1.660 65.085 63.200 0.374 0.000 1.087 886 S HN 0.560 nan 8.310 nan 0.000 0.474 887 R N 2.379 122.729 120.500 -0.249 0.000 2.328 887 R HA 0.052 5.014 4.340 1.037 0.000 0.207 887 R C 1.860 178.052 176.300 -0.180 0.000 1.056 887 R CA 1.053 56.878 56.100 -0.459 0.000 1.016 887 R CB -0.897 29.107 30.300 -0.493 0.000 0.872 887 R HN 0.680 nan 8.270 nan 0.000 0.471 888 A N -0.119 122.655 122.820 -0.077 0.000 2.168 888 A HA -0.032 4.911 4.320 1.037 0.000 0.215 888 A C 0.166 177.550 177.584 -0.333 0.000 1.152 888 A CA 0.564 52.476 52.037 -0.209 0.000 0.716 888 A CB -0.065 18.781 19.000 -0.257 0.000 0.794 888 A HN 0.156 nan 8.150 nan 0.000 0.465 889 Y N -1.620 118.646 120.300 -0.057 0.000 2.446 889 Y HA 0.392 5.568 4.550 1.044 0.000 0.338 889 Y C -1.413 174.445 175.900 -0.069 0.000 1.055 889 Y CA -2.247 55.827 58.100 -0.043 0.000 1.101 889 Y CB 0.957 39.421 38.460 0.008 0.000 1.221 889 Y HN -0.024 nan 8.280 nan 0.000 0.460 890 P HA -0.200 nan 4.420 nan 0.000 0.214 890 P C -0.229 176.871 177.300 -0.334 0.000 1.169 890 P CA 1.789 64.707 63.100 -0.304 0.000 0.908 890 P CB 0.180 31.543 31.700 -0.561 0.000 0.791 891 H N -1.567 117.612 119.070 0.181 0.000 2.638 891 H HA 0.163 5.338 4.556 1.032 0.000 0.242 891 H C -0.125 175.353 175.328 0.249 0.000 1.610 891 H CA -1.176 54.980 56.048 0.181 0.000 1.275 891 H CB -1.085 28.761 29.762 0.139 0.000 1.583 891 H HN 0.058 nan 8.280 nan 0.000 0.556 892 F N 2.192 122.232 119.950 0.149 0.000 2.590 892 F HA -0.004 5.140 4.527 1.028 0.000 0.389 892 F C 0.694 176.599 175.800 0.174 0.000 1.049 892 F CA -0.432 57.647 58.000 0.132 0.000 1.199 892 F CB -0.005 39.055 39.000 0.100 0.000 1.058 892 F HN 0.672 nan 8.300 nan 0.000 0.556 893 C N 4.774 123.897 119.300 -0.294 0.000 4.268 893 C HA -0.215 4.868 4.460 1.037 0.000 0.299 893 C C 1.990 176.946 174.990 -0.057 0.000 1.429 893 C CA 0.399 59.191 59.018 -0.377 0.000 2.018 893 C CB -3.107 24.133 27.740 -0.834 0.000 1.277 893 C HN 1.059 nan 8.230 nan 0.000 0.767 894 A N -0.217 122.687 122.820 0.141 0.000 1.883 894 A HA -0.147 4.795 4.320 1.037 0.000 0.217 894 A C 1.568 179.286 177.584 0.223 0.000 1.186 894 A CA 2.149 54.331 52.037 0.242 0.000 0.624 894 A CB -0.520 18.646 19.000 0.277 0.000 0.822 894 A HN 0.821 nan 8.150 nan 0.000 0.444 895 F N 1.224 121.207 119.950 0.056 0.000 2.234 895 F HA 0.045 5.197 4.527 1.041 0.000 0.299 895 F C 2.218 177.962 175.800 -0.094 0.000 1.087 895 F CA 0.891 58.911 58.000 0.034 0.000 1.340 895 F CB -0.809 38.209 39.000 0.029 0.000 1.031 895 F HN 0.175 nan 8.300 nan 0.000 0.500 896 G N -0.754 107.869 108.800 -0.296 0.000 2.402 896 G HA2 -0.228 4.354 3.960 1.037 0.000 0.216 896 G HA3 -0.228 4.354 3.960 1.037 0.000 0.216 896 G C 1.627 176.269 174.900 -0.429 0.000 1.162 896 G CA 0.799 45.611 45.100 -0.479 0.000 0.777 896 G HN 0.423 nan 8.290 nan 0.000 0.539 897 H N 0.833 119.763 119.070 -0.233 0.000 2.387 897 H HA 0.026 5.204 4.556 1.036 0.000 0.299 897 H C 2.904 177.993 175.328 -0.398 0.000 1.090 897 H CA 1.207 57.145 56.048 -0.184 0.000 1.332 897 H CB -0.342 29.398 29.762 -0.037 0.000 1.386 897 H HN 0.389 nan 8.280 nan 0.000 0.516 898 A N 0.616 123.090 122.820 -0.575 0.000 1.873 898 A HA -0.088 4.854 4.320 1.037 0.000 0.215 898 A C 2.848 180.073 177.584 -0.598 0.000 1.186 898 A CA 1.445 52.731 52.037 -1.252 0.000 0.616 898 A CB -0.796 17.666 19.000 -0.897 0.000 0.823 898 A HN 0.198 nan 8.150 nan 0.000 0.442 899 V N 0.582 120.225 119.914 -0.453 0.000 2.295 899 V HA -0.287 4.456 4.120 1.037 0.000 0.246 899 V C 2.340 178.267 176.094 -0.278 0.000 1.049 899 V CA 2.567 64.659 62.300 -0.348 0.000 1.024 899 V CB -0.892 30.654 31.823 -0.462 0.000 0.648 899 V HN 0.760 nan 8.190 nan 0.000 0.447 900 D N -0.244 120.028 120.400 -0.213 0.000 2.104 900 D HA -0.185 5.078 4.640 1.037 0.000 0.194 900 D C 2.136 178.446 176.300 0.017 0.000 0.994 900 D CA 2.013 55.999 54.000 -0.023 0.000 0.830 900 D CB -0.092 40.742 40.800 0.057 0.000 0.959 900 D HN 0.408 nan 8.370 nan 0.000 0.452 901 T N -0.006 114.542 114.554 -0.010 0.000 2.777 901 T HA -0.080 4.893 4.350 1.037 0.000 0.266 901 T C 2.011 176.741 174.700 0.050 0.000 1.040 901 T CA 0.856 63.016 62.100 0.099 0.000 1.141 901 T CB -0.273 68.755 68.868 0.267 0.000 0.868 901 T HN 0.156 nan 8.240 nan 0.000 0.444 902 L N 0.449 121.637 121.223 -0.058 0.000 2.056 902 L HA -0.007 4.956 4.340 1.037 0.000 0.207 902 L C 2.459 179.253 176.870 -0.127 0.000 1.078 902 L CA 1.052 55.863 54.840 -0.050 0.000 0.749 902 L CB -0.624 41.390 42.059 -0.075 0.000 0.901 902 L HN 0.248 nan 8.230 nan 0.000 0.433 903 L N -0.249 120.788 121.223 -0.310 0.000 2.191 903 L HA -0.212 4.750 4.340 1.037 0.000 0.212 903 L C 2.591 179.292 176.870 -0.281 0.000 1.103 903 L CA 1.196 55.730 54.840 -0.509 0.000 0.769 903 L CB -0.431 40.861 42.059 -1.278 0.000 0.908 903 L HN 0.380 nan 8.230 nan 0.000 0.438 904 E N 0.658 120.820 120.200 -0.064 0.000 2.107 904 E HA -0.205 4.767 4.350 1.037 0.000 0.191 904 E C 1.822 178.492 176.600 0.116 0.000 0.982 904 E CA 1.005 57.520 56.400 0.192 0.000 0.809 904 E CB 0.135 30.001 29.700 0.276 0.000 0.756 904 E HN 0.538 nan 8.360 nan 0.000 0.459 905 E N 0.408 120.654 120.200 0.076 0.000 2.274 905 E HA -0.091 4.882 4.350 1.037 0.000 0.194 905 E C 1.935 178.565 176.600 0.050 0.000 0.996 905 E CA 0.444 56.885 56.400 0.069 0.000 0.840 905 E CB 0.044 29.790 29.700 0.077 0.000 0.772 905 E HN 0.344 nan 8.360 nan 0.000 0.491 906 L N 0.011 121.251 121.223 0.028 0.000 2.610 906 L HA 0.091 5.053 4.340 1.037 0.000 0.232 906 L C 1.270 178.167 176.870 0.044 0.000 1.149 906 L CA 0.480 55.333 54.840 0.020 0.000 0.872 906 L CB -0.023 42.026 42.059 -0.017 0.000 0.992 906 L HN 0.345 nan 8.230 nan 0.000 0.447 907 G N -0.649 108.194 108.800 0.070 0.000 2.163 907 G HA2 -0.192 4.391 3.960 1.037 0.000 0.213 907 G HA3 -0.192 4.391 3.960 1.037 0.000 0.213 907 G C 0.512 175.496 174.900 0.140 0.000 0.991 907 G CA -0.327 44.828 45.100 0.093 0.000 0.653 907 G HN 0.485 nan 8.290 nan 0.000 0.518 908 G N -0.404 108.509 108.800 0.187 0.000 2.539 908 G HA2 0.493 5.076 3.960 1.037 0.000 0.258 908 G HA3 0.493 5.076 3.960 1.037 0.000 0.258 908 G C -0.222 174.928 174.900 0.415 0.000 1.202 908 G CA 0.189 45.497 45.100 0.346 0.000 0.851 908 G HN 0.388 nan 8.290 nan 0.000 0.556 909 E N 0.555 120.939 120.200 0.308 0.000 2.073 909 E HA 0.192 5.164 4.350 1.037 0.000 0.269 909 E C 0.217 176.677 176.600 -0.234 0.000 0.917 909 E CA -0.661 55.788 56.400 0.080 0.000 0.757 909 E CB 0.674 30.395 29.700 0.035 0.000 1.111 909 E HN 0.478 nan 8.360 nan 0.000 0.410 910 R N 4.989 125.214 120.500 -0.458 0.000 2.489 910 R HA 0.082 5.045 4.340 1.037 0.000 0.287 910 R C 0.731 176.786 176.300 -0.408 0.000 1.053 910 R CA 0.018 55.568 56.100 -0.917 0.000 1.036 910 R CB 0.500 30.487 30.300 -0.522 0.000 0.966 910 R HN 0.686 nan 8.270 nan 0.000 0.432 911 I N 3.598 123.955 120.570 -0.355 0.000 2.260 911 I HA -0.085 4.707 4.170 1.037 0.000 0.237 911 I C 0.682 176.753 176.117 -0.078 0.000 1.075 911 I CA 0.758 61.970 61.300 -0.146 0.000 1.376 911 I CB 0.084 38.042 38.000 -0.070 0.000 1.107 911 I HN 0.490 nan 8.210 nan 0.000 0.420 912 L N 0.286 121.495 121.223 -0.023 0.000 2.322 912 L HA 0.311 5.274 4.340 1.037 0.000 0.269 912 L C 0.120 177.051 176.870 0.102 0.000 1.012 912 L CA -0.579 54.301 54.840 0.066 0.000 0.815 912 L CB 1.735 43.880 42.059 0.144 0.000 1.295 912 L HN -0.010 nan 8.230 nan 0.000 0.438 913 K N 2.083 122.554 120.400 0.118 0.000 2.276 913 K HA 0.185 5.127 4.320 1.037 0.000 0.259 913 K C -0.089 176.608 176.600 0.161 0.000 1.001 913 K CA -0.429 55.929 56.287 0.118 0.000 0.927 913 K CB 0.812 33.376 32.500 0.106 0.000 0.969 913 K HN 0.564 nan 8.250 nan 0.000 0.490 914 M N 3.172 122.842 119.600 0.116 0.000 2.248 914 M HA 0.033 5.135 4.480 1.037 0.000 0.345 914 M C -0.240 176.041 176.300 -0.032 0.000 1.243 914 M CA 0.490 55.804 55.300 0.023 0.000 1.090 914 M CB 0.477 33.047 32.600 -0.049 0.000 1.683 914 M HN 0.557 nan 8.290 nan 0.000 0.450 915 R N 2.755 123.148 120.500 -0.178 0.000 2.668 915 R HA 0.413 5.376 4.340 1.037 0.000 0.279 915 R C -1.279 174.691 176.300 -0.549 0.000 0.976 915 R CA -0.436 55.560 56.100 -0.174 0.000 0.978 915 R CB 1.499 31.827 30.300 0.047 0.000 1.133 915 R HN 0.666 nan 8.270 nan 0.000 0.484 916 E N 0.402 120.365 120.200 -0.395 0.000 2.210 916 E HA 0.392 5.364 4.350 1.037 0.000 0.266 916 E C -0.846 175.547 176.600 -0.344 0.000 0.883 916 E CA -0.917 55.150 56.400 -0.556 0.000 0.761 916 E CB 2.155 31.659 29.700 -0.328 0.000 1.156 916 E HN 0.684 nan 8.360 nan 0.000 0.412 917 G N 2.111 110.621 108.800 -0.482 0.000 2.415 917 G HA2 0.156 4.738 3.960 1.037 0.000 0.317 917 G HA3 0.156 4.738 3.960 1.037 0.000 0.317 917 G C -0.856 174.169 174.900 0.208 0.000 1.152 917 G CA -0.430 44.702 45.100 0.053 0.000 0.956 917 G HN 0.376 nan 8.290 nan 0.000 0.458 918 D N 1.879 122.487 120.400 0.348 0.000 2.316 918 D HA 0.057 5.319 4.640 1.037 0.000 0.245 918 D C 1.190 177.681 176.300 0.318 0.000 1.171 918 D CA -0.367 53.873 54.000 0.400 0.000 0.856 918 D CB 1.349 42.318 40.800 0.283 0.000 1.090 918 D HN 0.557 nan 8.370 nan 0.000 0.476 919 E N 3.272 123.659 120.200 0.312 0.000 2.267 919 E HA -0.143 4.830 4.350 1.037 0.000 0.197 919 E C 1.473 178.304 176.600 0.384 0.000 0.998 919 E CA 0.643 57.230 56.400 0.311 0.000 0.830 919 E CB 0.300 30.159 29.700 0.265 0.000 0.751 919 E HN 0.610 nan 8.360 nan 0.000 0.491 920 L N -0.685 120.715 121.223 0.296 0.000 2.270 920 L HA 0.025 4.988 4.340 1.037 0.000 0.210 920 L C 1.008 178.073 176.870 0.326 0.000 1.104 920 L CA 0.099 55.088 54.840 0.248 0.000 0.804 920 L CB 0.568 42.625 42.059 -0.003 0.000 0.937 920 L HN 0.144 nan 8.230 nan 0.000 0.450 921 C N 0.363 119.835 119.300 0.285 0.000 2.887 921 C HA 0.531 5.613 4.460 1.037 0.000 0.379 921 C C 0.941 176.088 174.990 0.262 0.000 1.064 921 C CA -0.313 58.872 59.018 0.278 0.000 1.282 921 C CB 0.055 27.895 27.740 0.166 0.000 1.749 921 C HN 0.718 nan 8.230 nan 0.000 0.489 922 G N 5.362 114.338 108.800 0.293 0.000 2.273 922 G HA2 -0.298 4.284 3.960 1.037 0.000 0.280 922 G HA3 -0.298 4.284 3.960 1.037 0.000 0.280 922 G C 0.618 175.673 174.900 0.259 0.000 1.047 922 G CA 1.076 46.330 45.100 0.258 0.000 0.869 922 G HN 1.031 nan 8.290 nan 0.000 0.502 923 Q N -0.742 119.238 119.800 0.299 0.000 1.993 923 Q HA -0.123 4.839 4.340 1.037 0.000 0.202 923 Q C 2.377 178.538 176.000 0.269 0.000 0.984 923 Q CA 1.567 57.569 55.803 0.331 0.000 0.837 923 Q CB -0.204 28.759 28.738 0.375 0.000 0.902 923 Q HN 0.535 nan 8.270 nan 0.000 0.423 924 E N 0.435 120.786 120.200 0.251 0.000 2.118 924 E HA -0.256 4.717 4.350 1.037 0.000 0.195 924 E C 1.784 178.413 176.600 0.047 0.000 0.992 924 E CA 1.658 58.126 56.400 0.112 0.000 0.804 924 E CB 0.012 29.812 29.700 0.166 0.000 0.741 924 E HN 0.338 nan 8.360 nan 0.000 0.458 925 E N 0.614 120.868 120.200 0.091 0.000 2.077 925 E HA -0.089 4.883 4.350 1.037 0.000 0.193 925 E C 1.768 178.416 176.600 0.079 0.000 0.989 925 E CA 1.761 58.201 56.400 0.067 0.000 0.800 925 E CB -0.525 29.232 29.700 0.095 0.000 0.746 925 E HN 0.230 nan 8.360 nan 0.000 0.452 926 A N -0.457 122.458 122.820 0.159 0.000 2.121 926 A HA -0.035 4.908 4.320 1.037 0.000 0.218 926 A C 2.009 179.697 177.584 0.173 0.000 1.154 926 A CA 1.020 53.190 52.037 0.222 0.000 0.679 926 A CB -0.850 18.351 19.000 0.334 0.000 0.795 926 A HN 0.451 nan 8.150 nan 0.000 0.458 927 F N 0.784 120.596 119.950 -0.230 0.000 2.128 927 F HA -0.056 5.098 4.527 1.045 0.000 0.295 927 F C 2.208 177.818 175.800 -0.317 0.000 1.100 927 F CA 1.438 59.015 58.000 -0.705 0.000 1.260 927 F CB -0.373 37.965 39.000 -1.103 0.000 1.009 927 F HN 0.125 nan 8.300 nan 0.000 0.476 928 R N -0.171 120.086 120.500 -0.405 0.000 2.082 928 R HA -0.156 4.807 4.340 1.037 0.000 0.234 928 R C 2.183 178.318 176.300 -0.275 0.000 1.136 928 R CA 2.295 58.158 56.100 -0.395 0.000 0.935 928 R CB -1.178 29.014 30.300 -0.181 0.000 0.842 928 R HN 0.256 nan 8.270 nan 0.000 0.430 929 T N 0.184 114.671 114.554 -0.112 0.000 2.570 929 T HA -0.266 4.707 4.350 1.037 0.000 0.266 929 T C 1.256 175.942 174.700 -0.022 0.000 1.071 929 T CA 1.865 63.947 62.100 -0.029 0.000 1.172 929 T CB -0.518 68.389 68.868 0.065 0.000 0.864 929 T HN 0.503 nan 8.240 nan 0.000 0.421 930 W N 1.910 123.118 121.300 -0.154 0.000 2.338 930 W HA -0.076 5.210 4.660 1.044 0.000 0.304 930 W C 2.587 178.982 176.519 -0.207 0.000 1.212 930 W CA 1.307 58.585 57.345 -0.111 0.000 1.264 930 W CB -0.673 28.782 29.460 -0.008 0.000 1.142 930 W HN 0.287 nan 8.180 nan 0.000 0.512 931 A N 0.529 123.088 122.820 -0.435 0.000 1.940 931 A HA -0.228 4.715 4.320 1.037 0.000 0.219 931 A C 2.010 179.333 177.584 -0.436 0.000 1.176 931 A CA 2.054 53.703 52.037 -0.646 0.000 0.631 931 A CB -0.690 17.766 19.000 -0.907 0.000 0.814 931 A HN 0.394 nan 8.150 nan 0.000 0.446 932 K N -0.182 120.025 120.400 -0.321 0.000 1.984 932 K HA -0.123 4.819 4.320 1.037 0.000 0.209 932 K C 2.134 178.644 176.600 -0.150 0.000 1.046 932 K CA 1.587 57.760 56.287 -0.191 0.000 0.934 932 K CB -0.261 32.156 32.500 -0.138 0.000 0.717 932 K HN 0.422 nan 8.250 nan 0.000 0.438 933 K N 0.804 121.099 120.400 -0.174 0.000 2.020 933 K HA -0.160 4.782 4.320 1.037 0.000 0.212 933 K C 2.171 178.647 176.600 -0.206 0.000 1.050 933 K CA 1.438 57.634 56.287 -0.152 0.000 0.929 933 K CB -0.603 31.833 32.500 -0.106 0.000 0.714 933 K HN -0.022 nan 8.250 nan 0.000 0.443 934 V N 1.236 120.907 119.914 -0.404 0.000 2.392 934 V HA -0.248 4.494 4.120 1.037 0.000 0.249 934 V C 1.965 178.010 176.094 -0.082 0.000 1.059 934 V CA 1.642 63.724 62.300 -0.364 0.000 1.051 934 V CB -0.424 30.875 31.823 -0.874 0.000 0.658 934 V HN 0.251 nan 8.190 nan 0.000 0.455 935 F N 1.489 121.265 119.950 -0.290 0.000 2.084 935 F HA -0.103 5.046 4.527 1.037 0.000 0.296 935 F C 2.313 177.938 175.800 -0.292 0.000 1.111 935 F CA 2.421 60.108 58.000 -0.522 0.000 1.224 935 F CB -0.591 38.026 39.000 -0.639 0.000 0.991 935 F HN 0.120 nan 8.300 nan 0.000 0.471 936 K N 0.953 121.230 120.400 -0.204 0.000 2.063 936 K HA -0.121 4.822 4.320 1.037 0.000 0.208 936 K C 2.058 178.550 176.600 -0.180 0.000 1.048 936 K CA 1.682 57.839 56.287 -0.217 0.000 0.928 936 K CB -0.959 31.481 32.500 -0.100 0.000 0.713 936 K HN 0.288 nan 8.250 nan 0.000 0.442 937 A N 0.053 122.797 122.820 -0.125 0.000 1.969 937 A HA 0.047 4.989 4.320 1.037 0.000 0.218 937 A C 2.301 179.872 177.584 -0.022 0.000 1.169 937 A CA 1.771 53.764 52.037 -0.073 0.000 0.635 937 A CB -0.792 18.171 19.000 -0.062 0.000 0.810 937 A HN 0.407 nan 8.150 nan 0.000 0.445 938 A N -1.013 121.813 122.820 0.010 0.000 1.897 938 A HA -0.105 4.837 4.320 1.037 0.000 0.215 938 A C 2.283 180.068 177.584 0.336 0.000 1.181 938 A CA 1.477 53.659 52.037 0.242 0.000 0.620 938 A CB -1.225 17.905 19.000 0.216 0.000 0.821 938 A HN 0.557 nan 8.150 nan 0.000 0.443 939 C N -0.233 119.069 119.300 0.003 0.000 2.413 939 C HA -0.122 4.960 4.460 1.037 0.000 0.276 939 C C 2.430 177.400 174.990 -0.034 0.000 1.236 939 C CA 1.224 60.189 59.018 -0.089 0.000 1.735 939 C CB -1.205 26.308 27.740 -0.378 0.000 2.031 939 C HN 0.619 nan 8.230 nan 0.000 0.474 940 D N 0.131 120.493 120.400 -0.063 0.000 2.087 940 D HA -0.139 5.124 4.640 1.037 0.000 0.192 940 D C 2.158 178.427 176.300 -0.051 0.000 0.993 940 D CA 1.252 55.216 54.000 -0.059 0.000 0.828 940 D CB -1.009 39.750 40.800 -0.067 0.000 0.968 940 D HN 0.285 nan 8.370 nan 0.000 0.448 941 V N -0.030 119.845 119.914 -0.064 0.000 2.287 941 V HA -0.244 4.498 4.120 1.037 0.000 0.248 941 V C 1.773 177.701 176.094 -0.276 0.000 1.053 941 V CA 1.563 63.744 62.300 -0.197 0.000 1.027 941 V CB -0.409 31.228 31.823 -0.309 0.000 0.646 941 V HN 0.115 nan 8.190 nan 0.000 0.447 942 F N -0.488 119.489 119.950 0.044 0.000 2.811 942 F HA 0.192 5.342 4.527 1.037 0.000 0.301 942 F C 1.368 177.137 175.800 -0.052 0.000 1.151 942 F CA 0.479 58.496 58.000 0.030 0.000 1.412 942 F CB -0.809 38.258 39.000 0.111 0.000 1.113 942 F HN 0.186 nan 8.300 nan 0.000 0.579 943 C N 1.459 120.782 119.300 0.039 0.000 3.896 943 C HA 0.017 5.099 4.460 1.037 0.000 0.300 943 C C 0.257 175.218 174.990 -0.050 0.000 1.322 943 C CA -0.436 58.570 59.018 -0.020 0.000 2.130 943 C CB -3.381 24.346 27.740 -0.023 0.000 1.363 943 C HN 0.334 nan 8.230 nan 0.000 0.642 944 V N -3.014 116.839 119.914 -0.103 0.000 3.012 944 V HA 1.002 5.744 4.120 1.037 0.000 0.307 944 V C 0.289 176.255 176.094 -0.214 0.000 1.166 944 V CA 0.373 62.557 62.300 -0.194 0.000 0.974 944 V CB 1.795 33.390 31.823 -0.379 0.000 1.040 944 V HN 2.184 nan 8.190 nan 0.000 0.428 945 G N 2.248 110.940 108.800 -0.180 0.000 2.455 945 G HA2 -0.092 4.490 3.960 1.037 0.000 0.169 945 G HA3 -0.092 4.490 3.960 1.037 0.000 0.169 945 G C -0.084 174.756 174.900 -0.100 0.000 1.074 945 G CA 0.296 45.301 45.100 -0.158 0.000 0.796 945 G HN 1.518 nan 8.290 nan 0.000 0.489 946 D N 0.140 120.495 120.400 -0.076 0.000 2.500 946 D HA 0.124 5.386 4.640 1.037 0.000 0.217 946 D C 1.035 177.311 176.300 -0.041 0.000 1.159 946 D CA 0.944 54.911 54.000 -0.054 0.000 0.828 946 D CB 0.375 41.143 40.800 -0.054 0.000 1.039 946 D HN 0.347 nan 8.370 nan 0.000 0.512 947 D N -0.709 119.667 120.400 -0.039 0.000 2.510 947 D HA 0.093 5.355 4.640 1.037 0.000 0.234 947 D C 0.458 176.752 176.300 -0.011 0.000 1.178 947 D CA -0.153 53.829 54.000 -0.029 0.000 0.816 947 D CB 0.446 41.224 40.800 -0.037 0.000 1.143 947 D HN -0.043 nan 8.370 nan 0.000 0.526 948 V N 2.048 121.969 119.914 0.012 0.000 2.644 948 V HA 0.322 5.064 4.120 1.037 0.000 0.295 948 V C 0.023 176.165 176.094 0.080 0.000 1.053 948 V CA -0.619 61.734 62.300 0.088 0.000 0.987 948 V CB 1.505 33.448 31.823 0.200 0.000 1.006 948 V HN 0.194 nan 8.190 nan 0.000 0.472 949 N N 3.694 122.453 118.700 0.098 0.000 2.362 949 N HA 0.440 5.802 4.740 1.037 0.000 0.299 949 N C -0.835 174.724 175.510 0.081 0.000 1.170 949 N CA -0.859 52.229 53.050 0.064 0.000 0.825 949 N CB 2.106 40.605 38.487 0.021 0.000 1.299 949 N HN 0.333 nan 8.380 nan 0.000 0.502 950 I N 1.575 122.171 120.570 0.043 0.000 2.668 950 I HA -0.039 4.754 4.170 1.037 0.000 0.285 950 I C 0.891 177.023 176.117 0.023 0.000 1.168 950 I CA 0.786 62.104 61.300 0.031 0.000 1.424 950 I CB -0.296 37.710 38.000 0.010 0.000 1.377 950 I HN 0.523 nan 8.210 nan 0.000 0.560 960 N N 0.583 119.305 118.700 0.037 0.000 2.462 960 N HA -0.064 5.298 4.740 1.037 0.000 0.325 960 N C -0.662 174.870 175.510 0.037 0.000 1.565 960 N CA 1.215 54.283 53.050 0.030 0.000 3.079 960 N CB -0.921 37.580 38.487 0.023 0.000 1.676 960 N HN 0.575 nan 8.380 nan 0.000 1.137 961 D N -0.144 120.285 120.400 0.048 0.000 2.697 961 D HA 0.427 5.689 4.640 1.037 0.000 0.214 961 D C 1.288 177.630 176.300 0.070 0.000 1.252 961 D CA 0.652 54.684 54.000 0.053 0.000 1.090 961 D CB -0.324 40.508 40.800 0.053 0.000 1.203 961 D HN 0.305 nan 8.370 nan 0.000 0.626 962 R N 0.254 120.803 120.500 0.082 0.000 2.425 962 R HA 0.067 5.029 4.340 1.037 0.000 0.206 962 R C 1.609 178.025 176.300 0.194 0.000 1.117 962 R CA 1.327 57.508 56.100 0.134 0.000 1.098 962 R CB -2.083 28.292 30.300 0.125 0.000 0.843 962 R HN 0.599 nan 8.270 nan 0.000 0.480 963 S N -1.286 114.505 115.700 0.150 0.000 2.173 963 S HA 0.028 5.120 4.470 1.037 0.000 0.242 963 S C 0.542 175.321 174.600 0.299 0.000 1.408 963 S CA 0.708 59.009 58.200 0.168 0.000 2.463 963 S CB -0.300 62.983 63.200 0.139 0.000 0.355 963 S HN 0.936 nan 8.310 nan 0.000 0.349 964 W N 2.048 123.397 121.300 0.081 0.000 3.022 964 W HA 0.660 5.943 4.660 1.037 0.000 0.335 964 W C -1.821 174.784 176.519 0.143 0.000 1.133 964 W CA -0.832 56.592 57.345 0.132 0.000 1.219 964 W CB 1.282 30.762 29.460 0.033 0.000 1.409 964 W HN 0.800 nan 8.180 nan 0.000 0.507 965 K N 4.065 123.897 120.400 -0.946 0.000 2.561 965 K HA 0.408 5.351 4.320 1.037 0.000 0.254 965 K C -0.006 175.909 176.600 -1.142 0.000 0.942 965 K CA -1.003 54.661 56.287 -1.039 0.000 0.818 965 K CB 2.067 34.331 32.500 -0.392 0.000 1.306 965 K HN 0.618 nan 8.250 nan 0.000 0.435 966 R N 0.822 120.676 120.500 -1.076 0.000 2.249 966 R HA -0.177 4.786 4.340 1.037 0.000 0.230 966 R C 1.468 177.687 176.300 -0.134 0.000 1.121 966 R CA 2.234 58.088 56.100 -0.411 0.000 0.997 966 R CB -0.501 29.721 30.300 -0.130 0.000 0.867 966 R HN 0.861 nan 8.270 nan 0.000 0.465 967 N N 0.520 119.119 118.700 -0.167 0.000 2.273 967 N HA 0.056 5.418 4.740 1.037 0.000 0.231 967 N C 1.097 176.530 175.510 -0.128 0.000 1.134 967 N CA -0.045 52.967 53.050 -0.065 0.000 0.856 967 N CB 0.225 38.666 38.487 -0.076 0.000 1.068 967 N HN 0.190 nan 8.380 nan 0.000 0.510 968 K N -1.113 119.180 120.400 -0.179 0.000 2.362 968 K HA 0.347 5.289 4.320 1.037 0.000 0.203 968 K C -0.931 175.438 176.600 -0.385 0.000 1.198 968 K CA 0.098 56.159 56.287 -0.377 0.000 0.908 968 K CB 0.484 32.730 32.500 -0.423 0.000 1.236 968 K HN 0.256 nan 8.250 nan 0.000 0.487 969 F N 1.946 121.946 119.950 0.083 0.000 2.443 969 F HA 0.441 5.591 4.527 1.039 0.000 0.335 969 F C 0.054 176.020 175.800 0.276 0.000 1.104 969 F CA -0.755 57.383 58.000 0.230 0.000 1.013 969 F CB 1.560 40.687 39.000 0.212 0.000 1.136 969 F HN -0.083 nan 8.300 nan 0.000 0.470 970 R N 4.599 125.349 120.500 0.417 0.000 2.604 970 R HA 0.560 5.522 4.340 1.037 0.000 0.281 970 R C -2.329 173.998 176.300 0.046 0.000 1.020 970 R CA -0.671 55.506 56.100 0.128 0.000 0.899 970 R CB 1.407 31.561 30.300 -0.244 0.000 1.205 970 R HN 0.811 nan 8.270 nan 0.000 0.450 971 L N 4.126 125.344 121.223 -0.009 0.000 2.255 971 L HA 0.351 5.313 4.340 1.037 0.000 0.289 971 L C 0.409 177.184 176.870 -0.158 0.000 1.046 971 L CA -0.669 54.127 54.840 -0.073 0.000 0.816 971 L CB 1.450 43.456 42.059 -0.088 0.000 1.197 971 L HN 0.763 nan 8.230 nan 0.000 0.427 972 T N -1.031 113.433 114.554 -0.150 0.000 2.895 972 T HA 0.466 5.439 4.350 1.037 0.000 0.283 972 T C -0.207 174.414 174.700 -0.131 0.000 1.014 972 T CA -0.633 61.382 62.100 -0.141 0.000 1.037 972 T CB 0.959 69.758 68.868 -0.115 0.000 1.006 972 T HN 0.197 nan 8.240 nan 0.000 0.468 973 Y N 1.179 121.447 120.300 -0.053 0.000 2.578 973 Y HA 0.428 5.601 4.550 1.038 0.000 0.339 973 Y C 0.519 176.397 175.900 -0.036 0.000 1.231 973 Y CA 0.213 58.291 58.100 -0.038 0.000 1.461 973 Y CB 0.590 39.030 38.460 -0.034 0.000 1.323 973 Y HN 0.491 nan 8.280 nan 0.000 0.590 974 V N 1.520 121.527 119.914 0.153 0.000 2.971 974 V HA 0.496 5.239 4.120 1.037 0.000 0.309 974 V C 0.062 176.205 176.094 0.082 0.000 1.130 974 V CA -0.591 61.755 62.300 0.077 0.000 0.964 974 V CB 1.876 33.711 31.823 0.020 0.000 1.029 974 V HN 0.832 nan 8.190 nan 0.000 0.427 975 A N 1.929 124.778 122.820 0.048 0.000 2.252 975 A HA 0.367 5.310 4.320 1.037 0.000 0.213 975 A C 0.563 178.161 177.584 0.024 0.000 1.188 975 A CA 0.238 52.297 52.037 0.036 0.000 0.863 975 A CB 0.113 19.125 19.000 0.020 0.000 0.893 975 A HN 0.800 nan 8.150 nan 0.000 0.495 976 E N 0.471 120.681 120.200 0.017 0.000 2.114 976 E HA 0.566 5.538 4.350 1.037 0.000 0.266 976 E C -0.874 175.728 176.600 0.004 0.000 0.896 976 E CA -0.493 55.912 56.400 0.009 0.000 0.750 976 E CB 1.643 31.345 29.700 0.003 0.000 1.121 976 E HN 0.334 nan 8.360 nan 0.000 0.413 977 A N 4.727 127.551 122.820 0.007 0.000 2.303 977 A HA 0.599 5.541 4.320 1.037 0.000 0.320 977 A C -2.183 175.402 177.584 0.003 0.000 1.192 977 A CA -1.331 50.708 52.037 0.003 0.000 0.821 977 A CB 0.336 19.347 19.000 0.019 0.000 1.188 977 A HN 0.392 nan 8.150 nan 0.000 0.492 978 P HA 0.185 nan 4.420 nan 0.000 0.285 978 P C -0.635 176.666 177.300 0.002 0.000 1.282 978 P CA -0.272 62.826 63.100 -0.003 0.000 0.778 978 P CB 0.383 32.079 31.700 -0.007 0.000 1.222 979 D N -0.804 119.593 120.400 -0.005 0.000 2.193 979 D HA 0.050 5.313 4.640 1.037 0.000 0.249 979 D C 0.896 177.175 176.300 -0.035 0.000 1.034 979 D CA -0.577 53.412 54.000 -0.019 0.000 0.902 979 D CB 0.944 41.734 40.800 -0.016 0.000 1.182 979 D HN 0.113 nan 8.370 nan 0.000 0.436 980 L N 3.377 124.546 121.223 -0.089 0.000 1.978 980 L HA -0.229 4.734 4.340 1.037 0.000 0.218 980 L C 2.465 179.244 176.870 -0.152 0.000 1.075 980 L CA 3.140 57.874 54.840 -0.177 0.000 0.767 980 L CB -1.226 40.624 42.059 -0.348 0.000 0.890 980 L HN 0.816 nan 8.230 nan 0.000 0.434 981 T N -3.735 110.752 114.554 -0.111 0.000 2.833 981 T HA -0.252 4.721 4.350 1.037 0.000 0.269 981 T C 1.828 176.488 174.700 -0.066 0.000 1.054 981 T CA 1.454 63.503 62.100 -0.085 0.000 1.135 981 T CB -0.381 68.472 68.868 -0.026 0.000 0.869 981 T HN 0.397 nan 8.240 nan 0.000 0.466 982 Q N 1.460 121.235 119.800 -0.040 0.000 2.137 982 Q HA 0.232 5.194 4.340 1.037 0.000 0.198 982 Q C 2.491 178.481 176.000 -0.016 0.000 0.960 982 Q CA 1.820 57.609 55.803 -0.023 0.000 0.847 982 Q CB -1.084 27.646 28.738 -0.013 0.000 0.915 982 Q HN 0.616 nan 8.270 nan 0.000 0.448 983 G N 0.170 108.975 108.800 0.009 0.000 2.408 983 G HA2 -0.180 4.403 3.960 1.037 0.000 0.217 983 G HA3 -0.180 4.403 3.960 1.037 0.000 0.217 983 G C 1.250 176.215 174.900 0.108 0.000 1.150 983 G CA 0.734 45.880 45.100 0.076 0.000 0.776 983 G HN 0.379 nan 8.290 nan 0.000 0.542 984 L N 0.779 121.992 121.223 -0.017 0.000 2.217 984 L HA 0.004 4.967 4.340 1.037 0.000 0.211 984 L C 3.038 179.858 176.870 -0.084 0.000 1.107 984 L CA 0.637 55.392 54.840 -0.143 0.000 0.783 984 L CB -0.079 41.625 42.059 -0.591 0.000 0.919 984 L HN 0.150 nan 8.230 nan 0.000 0.442 985 S N -0.122 115.532 115.700 -0.077 0.000 2.371 985 S HA -0.125 4.968 4.470 1.037 0.000 0.224 985 S C 1.613 176.198 174.600 -0.026 0.000 1.029 985 S CA 1.297 59.466 58.200 -0.051 0.000 0.978 985 S CB -0.354 62.823 63.200 -0.038 0.000 0.833 985 S HN 0.511 nan 8.310 nan 0.000 0.466 986 N N 0.985 119.670 118.700 -0.024 0.000 2.039 986 N HA -0.092 5.270 4.740 1.037 0.000 0.193 986 N C 1.715 177.192 175.510 -0.055 0.000 1.044 986 N CA 1.357 54.388 53.050 -0.032 0.000 0.847 986 N CB -0.361 38.106 38.487 -0.034 0.000 1.030 986 N HN 0.074 nan 8.380 nan 0.000 0.422 987 V N 1.328 121.196 119.914 -0.077 0.000 2.317 987 V HA -0.256 4.486 4.120 1.037 0.000 0.251 987 V C 1.219 177.110 176.094 -0.339 0.000 1.065 987 V CA 1.682 63.855 62.300 -0.211 0.000 1.049 987 V CB -0.606 31.084 31.823 -0.222 0.000 0.651 987 V HN 0.509 nan 8.190 nan 0.000 0.450 988 H N -0.769 118.255 119.070 -0.078 0.000 2.505 988 H HA 0.251 5.430 4.556 1.037 0.000 0.286 988 H C 0.407 175.694 175.328 -0.068 0.000 1.072 988 H CA -0.270 55.743 56.048 -0.058 0.000 1.141 988 H CB 0.065 29.798 29.762 -0.048 0.000 1.550 988 H HN 0.447 nan 8.280 nan 0.000 0.547 989 K N 2.028 122.437 120.400 0.014 0.000 3.490 989 K HA -0.253 4.689 4.320 1.037 0.000 0.273 989 K C -0.403 176.182 176.600 -0.026 0.000 0.916 989 K CA 0.787 57.069 56.287 -0.008 0.000 0.718 989 K CB -1.071 31.425 32.500 -0.006 0.000 1.477 989 K HN 0.643 nan 8.250 nan 0.000 0.452 990 K N -1.588 118.784 120.400 -0.046 0.000 2.625 990 K HA 0.401 5.343 4.320 1.037 0.000 0.284 990 K C -1.160 175.392 176.600 -0.081 0.000 0.984 990 K CA -1.387 54.845 56.287 -0.091 0.000 0.865 990 K CB 1.194 33.570 32.500 -0.206 0.000 1.468 990 K HN -0.085 nan 8.250 nan 0.000 0.407 991 R N 1.764 122.230 120.500 -0.057 0.000 2.210 991 R HA 0.303 5.265 4.340 1.037 0.000 0.338 991 R C -1.011 175.302 176.300 0.021 0.000 1.062 991 R CA -0.441 55.652 56.100 -0.011 0.000 0.902 991 R CB 0.999 31.310 30.300 0.019 0.000 1.050 991 R HN 0.506 nan 8.270 nan 0.000 0.461 992 V N 3.365 123.296 119.914 0.028 0.000 2.427 992 V HA 0.278 5.020 4.120 1.037 0.000 0.286 992 V C 0.260 176.414 176.094 0.100 0.000 1.034 992 V CA -0.457 61.907 62.300 0.108 0.000 0.893 992 V CB 1.846 33.694 31.823 0.042 0.000 0.982 992 V HN 0.722 nan 8.190 nan 0.000 0.452 993 S N 2.858 118.645 115.700 0.145 0.000 2.651 993 S HA 0.783 5.875 4.470 1.037 0.000 0.291 993 S C 0.107 174.771 174.600 0.107 0.000 1.141 993 S CA -0.507 57.759 58.200 0.109 0.000 1.027 993 S CB 1.779 65.050 63.200 0.117 0.000 1.043 993 S HN 1.022 nan 8.310 nan 0.000 0.530 994 A N 1.179 124.048 122.820 0.080 0.000 2.260 994 A HA 0.745 5.687 4.320 1.037 0.000 0.308 994 A C 0.233 177.868 177.584 0.085 0.000 1.254 994 A CA -0.547 51.536 52.037 0.076 0.000 0.874 994 A CB 0.002 19.032 19.000 0.050 0.000 1.153 994 A HN 0.979 nan 8.150 nan 0.000 0.527 995 A N 2.619 125.495 122.820 0.093 0.000 2.326 995 A HA 0.914 5.856 4.320 1.037 0.000 0.303 995 A C 0.285 177.914 177.584 0.075 0.000 1.164 995 A CA -0.723 51.367 52.037 0.088 0.000 0.929 995 A CB 0.819 19.863 19.000 0.073 0.000 1.363 995 A HN 0.947 nan 8.150 nan 0.000 0.498 996 R N -0.635 119.911 120.500 0.076 0.000 2.621 996 R HA 0.522 5.484 4.340 1.037 0.000 0.284 996 R C -1.838 174.475 176.300 0.022 0.000 0.998 996 R CA -0.689 55.441 56.100 0.050 0.000 0.895 996 R CB 1.355 31.692 30.300 0.061 0.000 1.195 996 R HN 0.671 nan 8.270 nan 0.000 0.450 997 L N 5.523 126.728 121.223 -0.031 0.000 2.360 997 L HA 0.250 5.212 4.340 1.037 0.000 0.276 997 L C -0.327 176.510 176.870 -0.055 0.000 1.121 997 L CA 0.411 55.202 54.840 -0.082 0.000 0.845 997 L CB 0.900 42.876 42.059 -0.138 0.000 1.143 997 L HN 0.862 nan 8.230 nan 0.000 0.452 998 L N 3.095 124.280 121.223 -0.064 0.000 2.349 998 L HA 0.334 5.297 4.340 1.037 0.000 0.200 998 L C 0.525 177.350 176.870 -0.074 0.000 1.064 998 L CA 0.613 55.431 54.840 -0.036 0.000 0.821 998 L CB -0.045 42.014 42.059 0.000 0.000 1.027 998 L HN 0.839 nan 8.230 nan 0.000 0.476 999 S N -0.259 115.357 115.700 -0.140 0.000 2.615 999 S HA 0.589 5.681 4.470 1.037 0.000 0.268 999 S C -1.057 173.412 174.600 -0.219 0.000 1.146 999 S CA -1.027 57.087 58.200 -0.143 0.000 0.818 999 S CB 2.392 65.531 63.200 -0.100 0.000 1.111 999 S HN 0.296 nan 8.310 nan 0.000 0.465 1000 R N 0.453 120.855 120.500 -0.163 0.000 2.604 1000 R HA 0.738 5.700 4.340 1.037 0.000 0.281 1000 R C -1.589 174.671 176.300 -0.067 0.000 1.020 1000 R CA -0.645 55.353 56.100 -0.170 0.000 0.899 1000 R CB 1.611 31.810 30.300 -0.167 0.000 1.205 1000 R HN 0.761 nan 8.270 nan 0.000 0.450 1001 Q N 1.802 121.602 119.800 0.001 0.000 2.421 1001 Q HA 0.329 5.292 4.340 1.037 0.000 0.280 1001 Q C -1.256 174.783 176.000 0.066 0.000 1.085 1001 Q CA -1.110 54.736 55.803 0.071 0.000 0.807 1001 Q CB 2.980 31.823 28.738 0.175 0.000 1.405 1001 Q HN 0.645 nan 8.270 nan 0.000 0.419 1002 N N 1.057 119.779 118.700 0.036 0.000 2.488 1002 N HA 0.176 5.539 4.740 1.037 0.000 0.274 1002 N C 0.153 175.667 175.510 0.007 0.000 1.111 1002 N CA -0.003 53.058 53.050 0.019 0.000 0.974 1002 N CB 0.794 39.288 38.487 0.012 0.000 1.089 1002 N HN 0.397 nan 8.380 nan 0.000 0.465 1003 L N 1.254 122.464 121.223 -0.022 0.000 2.607 1003 L HA 0.129 5.091 4.340 1.037 0.000 0.228 1003 L C 0.455 177.295 176.870 -0.051 0.000 1.123 1003 L CA 0.485 55.269 54.840 -0.095 0.000 0.890 1003 L CB -0.069 41.849 42.059 -0.235 0.000 1.103 1003 L HN 0.515 nan 8.230 nan 0.000 0.468 1004 Q N -0.430 119.367 119.800 -0.004 0.000 2.297 1004 Q HA 0.306 5.268 4.340 1.037 0.000 0.268 1004 Q C -0.011 176.005 176.000 0.027 0.000 1.045 1004 Q CA -0.512 55.306 55.803 0.027 0.000 0.861 1004 Q CB 2.328 31.093 28.738 0.044 0.000 1.344 1004 Q HN 0.037 nan 8.270 nan 0.000 0.452 1005 S N 0.821 116.543 115.700 0.038 0.000 2.558 1005 S HA 0.027 5.120 4.470 1.037 0.000 0.287 1005 S C -1.810 172.806 174.600 0.027 0.000 1.321 1005 S CA -0.800 57.418 58.200 0.030 0.000 1.048 1005 S CB 0.278 63.499 63.200 0.035 0.000 0.844 1005 S HN 0.354 nan 8.310 nan 0.000 0.512 1006 P HA 0.062 nan 4.420 nan 0.000 0.230 1006 P C 0.417 177.730 177.300 0.022 0.000 1.158 1006 P CA 0.717 63.828 63.100 0.020 0.000 0.769 1006 P CB 0.159 31.868 31.700 0.015 0.000 0.807 1007 K N -0.899 119.514 120.400 0.023 0.000 2.437 1007 K HA 0.195 5.138 4.320 1.037 0.000 0.198 1007 K C 0.700 177.317 176.600 0.029 0.000 1.024 1007 K CA 0.117 56.418 56.287 0.023 0.000 1.148 1007 K CB -0.189 32.323 32.500 0.019 0.000 0.860 1007 K HN 0.030 nan 8.250 nan 0.000 0.515 1008 S N 0.476 116.197 115.700 0.035 0.000 2.646 1008 S HA 0.187 5.279 4.470 1.037 0.000 0.276 1008 S C 1.247 175.872 174.600 0.042 0.000 1.222 1008 S CA -0.338 57.888 58.200 0.042 0.000 1.014 1008 S CB 1.018 64.248 63.200 0.049 0.000 0.991 1008 S HN 0.337 nan 8.310 nan 0.000 0.533 1009 S N 3.036 118.764 115.700 0.046 0.000 2.486 1009 S HA 0.277 5.370 4.470 1.037 0.000 0.220 1009 S C 0.799 175.434 174.600 0.059 0.000 1.011 1009 S CA -0.280 57.949 58.200 0.049 0.000 0.921 1009 S CB -0.044 63.184 63.200 0.047 0.000 0.785 1009 S HN 0.640 nan 8.310 nan 0.000 0.517 1010 R N 0.805 121.341 120.500 0.060 0.000 2.608 1010 R HA 0.708 5.670 4.340 1.037 0.000 0.255 1010 R C -0.682 175.654 176.300 0.061 0.000 1.086 1010 R CA -0.324 55.816 56.100 0.067 0.000 1.125 1010 R CB 1.155 31.498 30.300 0.071 0.000 1.193 1010 R HN 0.261 nan 8.270 nan 0.000 0.553 1011 S N -0.396 115.342 115.700 0.064 0.000 2.543 1011 S HA 0.407 5.499 4.470 1.037 0.000 0.271 1011 S C -1.530 173.102 174.600 0.054 0.000 1.148 1011 S CA -0.527 57.704 58.200 0.051 0.000 0.914 1011 S CB 1.845 65.071 63.200 0.043 0.000 1.096 1011 S HN 0.502 nan 8.310 nan 0.000 0.471 1012 T N 4.748 119.327 114.554 0.041 0.000 2.921 1012 T HA 0.549 5.521 4.350 1.037 0.000 0.297 1012 T C -0.438 174.274 174.700 0.021 0.000 1.013 1012 T CA -0.565 61.559 62.100 0.041 0.000 0.990 1012 T CB 0.827 69.722 68.868 0.046 0.000 1.023 1012 T HN 0.721 nan 8.240 nan 0.000 0.447 1013 I N 0.038 120.619 120.570 0.019 0.000 2.493 1013 I HA 0.806 5.599 4.170 1.037 0.000 0.298 1013 I C -1.072 175.083 176.117 0.063 0.000 0.998 1013 I CA -1.180 60.128 61.300 0.014 0.000 1.137 1013 I CB 1.544 39.518 38.000 -0.043 0.000 1.310 1013 I HN 0.507 nan 8.210 nan 0.000 0.445 1014 F N 6.722 126.632 119.950 -0.066 0.000 2.385 1014 F HA 0.676 5.825 4.527 1.036 0.000 0.360 1014 F C -1.118 174.626 175.800 -0.094 0.000 1.122 1014 F CA -0.763 57.214 58.000 -0.038 0.000 1.090 1014 F CB 1.249 40.251 39.000 0.003 0.000 1.150 1014 F HN 0.271 nan 8.300 nan 0.000 0.472 1015 V N 7.333 126.855 119.914 -0.653 0.000 2.459 1015 V HA 0.538 5.280 4.120 1.037 0.000 0.295 1015 V C -0.294 175.337 176.094 -0.772 0.000 1.029 1015 V CA -0.852 61.071 62.300 -0.629 0.000 0.874 1015 V CB 1.771 33.369 31.823 -0.375 0.000 0.985 1015 V HN 0.660 nan 8.190 nan 0.000 0.438 1016 R N 4.804 124.912 120.500 -0.652 0.000 2.387 1016 R HA 0.738 5.701 4.340 1.037 0.000 0.314 1016 R C -1.305 174.888 176.300 -0.178 0.000 0.958 1016 R CA -0.548 55.289 56.100 -0.439 0.000 0.846 1016 R CB 1.629 31.651 30.300 -0.463 0.000 1.147 1016 R HN 0.576 nan 8.270 nan 0.000 0.447 1017 L N 2.196 123.381 121.223 -0.064 0.000 2.342 1017 L HA 0.428 5.390 4.340 1.037 0.000 0.271 1017 L C -0.190 176.698 176.870 0.029 0.000 1.008 1017 L CA -1.030 53.797 54.840 -0.022 0.000 0.818 1017 L CB 1.841 43.878 42.059 -0.037 0.000 1.296 1017 L HN 0.474 nan 8.230 nan 0.000 0.427 1018 H N 1.155 120.233 119.070 0.015 0.000 2.519 1018 H HA 0.144 5.322 4.556 1.037 0.000 0.316 1018 H C 0.577 175.929 175.328 0.040 0.000 1.065 1018 H CA -0.000 56.070 56.048 0.038 0.000 1.264 1018 H CB 1.974 31.754 29.762 0.031 0.000 1.413 1018 H HN 0.801 nan 8.280 nan 0.000 0.465 1019 T N 0.883 115.470 114.554 0.055 0.000 3.067 1019 T HA -0.071 4.902 4.350 1.037 0.000 0.261 1019 T C 0.660 175.495 174.700 0.226 0.000 1.110 1019 T CA 0.576 62.752 62.100 0.126 0.000 1.113 1019 T CB -0.154 68.755 68.868 0.069 0.000 0.917 1019 T HN 0.811 nan 8.240 nan 0.000 0.499 1020 N N 0.480 119.482 118.700 0.504 0.000 2.747 1020 N HA -0.160 5.202 4.740 1.037 0.000 0.249 1020 N C 0.979 176.597 175.510 0.180 0.000 1.107 1020 N CA 0.782 54.029 53.050 0.328 0.000 0.707 1020 N CB -1.451 37.122 38.487 0.143 0.000 1.054 1020 N HN 0.826 nan 8.380 nan 0.000 0.555 1021 G N -0.426 108.471 108.800 0.160 0.000 2.347 1021 G HA2 -0.443 4.140 3.960 1.037 0.000 0.247 1021 G HA3 -0.443 4.140 3.960 1.037 0.000 0.247 1021 G C 0.170 175.107 174.900 0.061 0.000 1.037 1021 G CA 0.366 45.518 45.100 0.086 0.000 0.622 1021 G HN 0.706 nan 8.290 nan 0.000 0.521 1022 N N 1.433 120.177 118.700 0.074 0.000 2.160 1022 N HA 0.143 5.505 4.740 1.037 0.000 0.283 1022 N C 1.843 177.387 175.510 0.057 0.000 1.363 1022 N CA 0.961 54.050 53.050 0.065 0.000 0.848 1022 N CB 0.331 38.865 38.487 0.078 0.000 1.127 1022 N HN 0.742 nan 8.380 nan 0.000 0.493 1023 Q N 2.188 122.015 119.800 0.044 0.000 2.500 1023 Q HA -0.106 4.857 4.340 1.037 0.000 0.213 1023 Q C 0.674 176.706 176.000 0.054 0.000 0.974 1023 Q CA 1.148 56.972 55.803 0.036 0.000 0.918 1023 Q CB 0.212 28.965 28.738 0.025 0.000 0.980 1023 Q HN 0.567 nan 8.270 nan 0.000 0.505 1024 E N 0.823 121.064 120.200 0.070 0.000 2.208 1024 E HA -0.011 4.961 4.350 1.037 0.000 0.193 1024 E C 0.952 177.623 176.600 0.119 0.000 0.988 1024 E CA 0.722 57.178 56.400 0.092 0.000 0.828 1024 E CB 0.073 29.831 29.700 0.097 0.000 0.763 1024 E HN 0.506 nan 8.360 nan 0.000 0.478 1025 L N 1.769 123.062 121.223 0.115 0.000 2.783 1025 L HA 0.113 5.075 4.340 1.037 0.000 0.236 1025 L C 0.449 177.430 176.870 0.184 0.000 1.225 1025 L CA -0.211 54.719 54.840 0.151 0.000 1.026 1025 L CB 0.021 42.162 42.059 0.137 0.000 1.314 1025 L HN -0.187 nan 8.230 nan 0.000 0.489 1026 Q N 1.321 121.188 119.800 0.112 0.000 2.340 1026 Q HA 0.353 5.315 4.340 1.037 0.000 0.249 1026 Q C -0.853 175.215 176.000 0.113 0.000 0.957 1026 Q CA 0.071 55.884 55.803 0.016 0.000 0.882 1026 Q CB 1.673 30.396 28.738 -0.025 0.000 1.235 1026 Q HN 0.291 nan 8.270 nan 0.000 0.439 1027 Y N -2.096 118.189 120.300 -0.025 0.000 2.689 1027 Y HA 0.529 5.704 4.550 1.042 0.000 0.333 1027 Y C -1.203 174.657 175.900 -0.066 0.000 1.208 1027 Y CA -1.177 56.912 58.100 -0.019 0.000 1.055 1027 Y CB 1.219 39.671 38.460 -0.013 0.000 1.304 1027 Y HN 0.444 nan 8.280 nan 0.000 0.455 1028 Q N 1.212 121.102 119.800 0.149 0.000 2.399 1028 Q HA 0.537 5.499 4.340 1.037 0.000 0.276 1028 Q C -2.904 173.167 176.000 0.119 0.000 1.098 1028 Q CA -2.484 53.275 55.803 -0.073 0.000 0.827 1028 Q CB 2.577 31.052 28.738 -0.437 0.000 1.386 1028 Q HN 0.396 nan 8.270 nan 0.000 0.443 1029 P HA 0.001 nan 4.420 nan 0.000 0.264 1029 P C 0.324 177.852 177.300 0.380 0.000 1.193 1029 P CA 1.098 64.327 63.100 0.215 0.000 0.763 1029 P CB 0.530 32.325 31.700 0.159 0.000 0.810 1030 G N 2.298 111.336 108.800 0.397 0.000 2.391 1030 G HA2 -0.159 4.424 3.960 1.037 0.000 0.204 1030 G HA3 -0.159 4.424 3.960 1.037 0.000 0.204 1030 G C -0.009 174.944 174.900 0.089 0.000 1.012 1030 G CA -0.441 44.941 45.100 0.469 0.000 0.651 1030 G HN 0.480 nan 8.290 nan 0.000 0.494 1031 D N 1.374 121.833 120.400 0.099 0.000 2.378 1031 D HA 0.502 5.764 4.640 1.037 0.000 0.238 1031 D C 0.581 176.674 176.300 -0.345 0.000 1.180 1031 D CA 0.459 54.405 54.000 -0.090 0.000 0.895 1031 D CB 0.318 41.198 40.800 0.135 0.000 1.192 1031 D HN 0.604 nan 8.370 nan 0.000 0.438 1032 H N -0.774 118.291 119.070 -0.008 0.000 2.595 1032 H HA 0.569 5.776 4.556 1.085 0.000 0.346 1032 H C -0.628 174.630 175.328 -0.117 0.000 1.181 1032 H CA -1.011 54.998 56.048 -0.065 0.000 1.242 1032 H CB 1.402 31.138 29.762 -0.043 0.000 1.652 1032 H HN 0.111 nan 8.280 nan 0.000 0.548 1033 L N 1.197 122.405 121.223 -0.025 0.000 2.305 1033 L HA 0.539 5.501 4.340 1.037 0.000 0.284 1033 L C 0.145 176.799 176.870 -0.360 0.000 1.013 1033 L CA -0.185 54.533 54.840 -0.203 0.000 0.819 1033 L CB 1.019 42.982 42.059 -0.161 0.000 1.227 1033 L HN 0.797 nan 8.230 nan 0.000 0.417 1034 G N 4.789 113.036 108.800 -0.923 0.000 2.339 1034 G HA2 0.548 5.131 3.960 1.037 0.000 0.287 1034 G HA3 0.548 5.131 3.960 1.037 0.000 0.287 1034 G C -1.118 173.284 174.900 -0.830 0.000 1.163 1034 G CA -0.337 43.958 45.100 -1.343 0.000 0.872 1034 G HN 0.495 nan 8.290 nan 0.000 0.464 1035 V N 2.313 121.894 119.914 -0.556 0.000 2.628 1035 V HA 0.483 5.225 4.120 1.037 0.000 0.306 1035 V C -0.925 174.893 176.094 -0.460 0.000 1.045 1035 V CA -0.774 61.361 62.300 -0.276 0.000 0.905 1035 V CB 1.737 33.582 31.823 0.037 0.000 0.997 1035 V HN 0.589 nan 8.190 nan 0.000 0.436 1036 F N 5.717 125.588 119.950 -0.131 0.000 2.361 1036 F HA 0.564 5.726 4.527 1.058 0.000 0.364 1036 F C -1.981 173.482 175.800 -0.562 0.000 1.117 1036 F CA -2.285 55.552 58.000 -0.271 0.000 1.071 1036 F CB 1.455 40.311 39.000 -0.241 0.000 1.188 1036 F HN 0.338 nan 8.300 nan 0.000 0.464 1037 P HA 0.438 nan 4.420 nan 0.000 0.282 1037 P C -0.445 176.240 177.300 -1.025 0.000 1.287 1037 P CA -0.622 61.760 63.100 -1.196 0.000 0.792 1037 P CB 1.106 32.492 31.700 -0.524 0.000 1.163 1038 G N 0.046 108.032 108.800 -1.357 0.000 2.590 1038 G HA2 0.324 4.906 3.960 1.037 0.000 0.310 1038 G HA3 0.324 4.906 3.960 1.037 0.000 0.310 1038 G C -0.659 173.964 174.900 -0.461 0.000 1.347 1038 G CA -0.552 44.057 45.100 -0.819 0.000 0.963 1038 G HN 0.339 nan 8.290 nan 0.000 0.494 1039 N N 0.958 119.447 118.700 -0.352 0.000 2.453 1039 N HA 0.030 5.392 4.740 1.037 0.000 0.253 1039 N C 0.096 175.550 175.510 -0.094 0.000 1.252 1039 N CA -0.157 52.796 53.050 -0.162 0.000 0.917 1039 N CB 0.658 39.059 38.487 -0.142 0.000 1.117 1039 N HN 0.533 nan 8.380 nan 0.000 0.442 1040 H N 2.035 121.070 119.070 -0.059 0.000 3.034 1040 H HA -0.051 5.126 4.556 1.036 0.000 0.324 1040 H C 0.862 176.172 175.328 -0.029 0.000 1.015 1040 H CA 0.929 56.969 56.048 -0.015 0.000 1.429 1040 H CB 0.571 30.334 29.762 0.002 0.000 1.429 1040 H HN 0.608 nan 8.280 nan 0.000 0.585 1041 E N 3.017 123.245 120.200 0.047 0.000 2.130 1041 E HA -0.212 4.761 4.350 1.037 0.000 0.196 1041 E C 1.044 177.833 176.600 0.316 0.000 0.998 1041 E CA 1.532 58.049 56.400 0.194 0.000 0.806 1041 E CB 0.250 30.084 29.700 0.222 0.000 0.738 1041 E HN 0.680 nan 8.360 nan 0.000 0.459 1042 D N 0.454 121.143 120.400 0.481 0.000 2.097 1042 D HA -0.154 5.108 4.640 1.037 0.000 0.195 1042 D C 1.850 178.208 176.300 0.096 0.000 0.989 1042 D CA 0.606 54.734 54.000 0.214 0.000 0.827 1042 D CB -0.223 40.610 40.800 0.055 0.000 0.966 1042 D HN 0.044 nan 8.370 nan 0.000 0.456 1043 L N 0.264 121.527 121.223 0.066 0.000 2.046 1043 L HA -0.115 4.847 4.340 1.037 0.000 0.208 1043 L C 2.193 179.048 176.870 -0.026 0.000 1.077 1043 L CA 1.179 56.008 54.840 -0.018 0.000 0.747 1043 L CB -0.372 41.661 42.059 -0.043 0.000 0.896 1043 L HN -0.087 nan 8.230 nan 0.000 0.432 1044 V N 0.153 120.070 119.914 0.005 0.000 2.332 1044 V HA -0.296 4.446 4.120 1.037 0.000 0.248 1044 V C 2.381 178.510 176.094 0.059 0.000 1.055 1044 V CA 1.885 64.165 62.300 -0.032 0.000 1.038 1044 V CB -0.831 30.918 31.823 -0.124 0.000 0.651 1044 V HN 0.517 nan 8.190 nan 0.000 0.450 1045 N N 0.461 119.256 118.700 0.159 0.000 2.106 1045 N HA -0.091 5.271 4.740 1.037 0.000 0.188 1045 N C 1.966 177.507 175.510 0.051 0.000 1.029 1045 N CA 1.672 54.817 53.050 0.159 0.000 0.848 1045 N CB -0.625 37.961 38.487 0.165 0.000 1.007 1045 N HN 0.455 nan 8.380 nan 0.000 0.423 1046 A N 1.438 124.267 122.820 0.015 0.000 1.892 1046 A HA -0.168 4.774 4.320 1.037 0.000 0.218 1046 A C 2.260 179.807 177.584 -0.062 0.000 1.188 1046 A CA 1.360 53.384 52.037 -0.022 0.000 0.631 1046 A CB -0.917 18.061 19.000 -0.037 0.000 0.822 1046 A HN 0.272 nan 8.150 nan 0.000 0.447 1047 L N -0.007 121.148 121.223 -0.114 0.000 1.970 1047 L HA -0.157 4.805 4.340 1.037 0.000 0.212 1047 L C 2.313 179.063 176.870 -0.200 0.000 1.071 1047 L CA 2.074 56.784 54.840 -0.217 0.000 0.751 1047 L CB -0.507 41.318 42.059 -0.389 0.000 0.889 1047 L HN 0.459 nan 8.230 nan 0.000 0.432 1048 I N -0.256 120.235 120.570 -0.132 0.000 2.208 1048 I HA -0.261 4.531 4.170 1.037 0.000 0.245 1048 I C 2.052 178.179 176.117 0.017 0.000 1.097 1048 I CA 1.501 62.803 61.300 0.003 0.000 1.363 1048 I CB -0.403 37.694 38.000 0.162 0.000 1.051 1048 I HN 0.374 nan 8.210 nan 0.000 0.413 1049 E N 1.010 121.214 120.200 0.008 0.000 2.505 1049 E HA -0.185 4.787 4.350 1.037 0.000 0.197 1049 E C 1.565 178.157 176.600 -0.013 0.000 1.111 1049 E CA 0.502 56.907 56.400 0.007 0.000 0.887 1049 E CB -0.110 29.596 29.700 0.009 0.000 0.913 1049 E HN 0.144 nan 8.360 nan 0.000 0.517 1050 R N -0.369 120.110 120.500 -0.035 0.000 2.509 1050 R HA 0.323 5.285 4.340 1.037 0.000 0.297 1050 R C -0.367 175.903 176.300 -0.050 0.000 0.951 1050 R CA -0.055 56.015 56.100 -0.049 0.000 1.103 1050 R CB -0.097 30.157 30.300 -0.077 0.000 1.283 1050 R HN 0.160 nan 8.270 nan 0.000 0.534 1051 L N 1.128 122.334 121.223 -0.028 0.000 2.418 1051 L HA 0.233 5.196 4.340 1.037 0.000 0.265 1051 L C 1.210 178.085 176.870 0.008 0.000 1.143 1051 L CA -0.513 54.322 54.840 -0.008 0.000 0.809 1051 L CB 0.976 43.060 42.059 0.041 0.000 1.124 1051 L HN 0.095 nan 8.230 nan 0.000 0.456 1052 E N 1.449 121.655 120.200 0.011 0.000 2.011 1052 E HA -0.065 4.908 4.350 1.037 0.000 0.191 1052 E C -0.125 176.499 176.600 0.040 0.000 0.979 1052 E CA 0.879 57.293 56.400 0.024 0.000 0.822 1052 E CB -0.040 29.677 29.700 0.028 0.000 0.782 1052 E HN 0.691 nan 8.360 nan 0.000 0.459 1053 D N 0.150 120.583 120.400 0.055 0.000 2.412 1053 D HA 0.482 5.745 4.640 1.037 0.000 0.224 1053 D C -0.928 175.411 176.300 0.065 0.000 1.093 1053 D CA -0.689 53.348 54.000 0.061 0.000 0.850 1053 D CB 1.333 42.177 40.800 0.074 0.000 1.046 1053 D HN 0.091 nan 8.370 nan 0.000 0.507 1054 A N 3.453 126.309 122.820 0.060 0.000 2.466 1054 A HA 0.560 5.502 4.320 1.037 0.000 0.284 1054 A C -2.718 174.900 177.584 0.057 0.000 1.049 1054 A CA -1.213 50.863 52.037 0.065 0.000 0.760 1054 A CB 0.751 19.808 19.000 0.094 0.000 1.274 1054 A HN 0.354 nan 8.150 nan 0.000 0.412 1055 P HA 0.203 nan 4.420 nan 0.000 0.271 1055 P C -2.381 174.955 177.300 0.060 0.000 1.228 1055 P CA -0.186 62.939 63.100 0.043 0.000 0.797 1055 P CB -0.181 31.512 31.700 -0.012 0.000 0.914 1056 P HA -0.036 nan 4.420 nan 0.000 0.267 1056 P C -0.225 177.117 177.300 0.071 0.000 1.201 1056 P CA 0.392 63.528 63.100 0.060 0.000 0.775 1056 P CB 0.167 31.899 31.700 0.053 0.000 0.854 1057 A N 2.263 125.132 122.820 0.081 0.000 2.358 1057 A HA 0.025 4.967 4.320 1.037 0.000 0.232 1057 A C 0.577 178.224 177.584 0.106 0.000 1.498 1057 A CA 0.583 52.704 52.037 0.139 0.000 1.400 1057 A CB -1.696 17.426 19.000 0.203 0.000 0.852 1057 A HN 0.633 nan 8.150 nan 0.000 0.605 1058 N N -1.313 117.432 118.700 0.075 0.000 2.824 1058 N HA 0.409 5.771 4.740 1.037 0.000 0.224 1058 N C -0.896 174.662 175.510 0.081 0.000 1.418 1058 N CA 0.611 53.701 53.050 0.068 0.000 0.743 1058 N CB 0.168 38.669 38.487 0.022 0.000 1.395 1058 N HN 0.461 nan 8.380 nan 0.000 0.548 1059 H N -0.349 118.766 119.070 0.076 0.000 3.163 1059 H HA 0.440 5.618 4.556 1.037 0.000 0.322 1059 H C -1.063 174.289 175.328 0.041 0.000 1.047 1059 H CA -0.414 55.700 56.048 0.110 0.000 1.418 1059 H CB 0.431 30.313 29.762 0.200 0.000 2.016 1059 H HN 0.266 nan 8.280 nan 0.000 0.454 1060 V N 3.483 123.437 119.914 0.066 0.000 2.452 1060 V HA 0.316 5.059 4.120 1.037 0.000 0.286 1060 V C 1.024 177.099 176.094 -0.032 0.000 0.995 1060 V CA 0.841 63.152 62.300 0.019 0.000 1.116 1060 V CB -0.239 31.607 31.823 0.038 0.000 0.954 1060 V HN 1.258 nan 8.190 nan 0.000 0.473 1061 V N 2.808 122.659 119.914 -0.106 0.000 2.483 1061 V HA 0.613 5.355 4.120 1.037 0.000 0.297 1061 V C -0.345 175.671 176.094 -0.131 0.000 1.027 1061 V CA -1.211 60.986 62.300 -0.172 0.000 0.855 1061 V CB 1.476 33.133 31.823 -0.276 0.000 0.995 1061 V HN 0.685 nan 8.190 nan 0.000 0.424 1062 K N 2.808 123.149 120.400 -0.099 0.000 2.126 1062 K HA 0.728 5.671 4.320 1.037 0.000 0.257 1062 K C -0.879 175.685 176.600 -0.059 0.000 1.007 1062 K CA -0.624 55.618 56.287 -0.076 0.000 0.928 1062 K CB 1.912 34.384 32.500 -0.046 0.000 1.013 1062 K HN 0.695 nan 8.250 nan 0.000 0.473 1063 V N 2.910 122.810 119.914 -0.024 0.000 2.370 1063 V HA 0.205 4.947 4.120 1.037 0.000 0.283 1063 V C -0.451 175.709 176.094 0.110 0.000 1.023 1063 V CA -0.552 61.776 62.300 0.046 0.000 0.857 1063 V CB 1.214 33.077 31.823 0.066 0.000 0.985 1063 V HN 0.727 nan 8.190 nan 0.000 0.443 1064 E N 5.287 125.570 120.200 0.138 0.000 2.179 1064 E HA 0.665 5.637 4.350 1.037 0.000 0.275 1064 E C -0.556 176.278 176.600 0.390 0.000 0.945 1064 E CA -0.629 55.899 56.400 0.213 0.000 0.792 1064 E CB 2.173 31.952 29.700 0.132 0.000 1.125 1064 E HN 0.769 nan 8.360 nan 0.000 0.397 1065 M N 1.328 121.102 119.600 0.291 0.000 2.456 1065 M HA 0.426 5.529 4.480 1.037 0.000 0.324 1065 M C -0.935 175.199 176.300 -0.276 0.000 1.124 1065 M CA -1.223 54.057 55.300 -0.034 0.000 0.959 1065 M CB 1.422 33.812 32.600 -0.351 0.000 1.692 1065 M HN 0.297 nan 8.290 nan 0.000 0.444 1066 L N 2.755 123.479 121.223 -0.831 0.000 2.433 1066 L HA 0.290 5.253 4.340 1.037 0.000 0.284 1066 L C -0.417 176.069 176.870 -0.640 0.000 1.120 1066 L CA 0.849 54.986 54.840 -1.172 0.000 0.879 1066 L CB -0.250 40.983 42.059 -1.377 0.000 1.232 1066 L HN 0.900 nan 8.230 nan 0.000 0.454 1067 E N 4.507 124.439 120.200 -0.446 0.000 2.081 1067 E HA 0.153 5.126 4.350 1.037 0.000 0.281 1067 E C -0.812 175.644 176.600 -0.240 0.000 0.986 1067 E CA -0.359 55.873 56.400 -0.280 0.000 0.796 1067 E CB 0.619 30.216 29.700 -0.170 0.000 1.085 1067 E HN 0.540 nan 8.360 nan 0.000 0.398 1068 E N 5.239 125.313 120.200 -0.211 0.000 1.924 1068 E HA 0.087 5.059 4.350 1.037 0.000 0.261 1068 E C 0.217 176.751 176.600 -0.110 0.000 1.088 1068 E CA -0.191 56.110 56.400 -0.165 0.000 0.909 1068 E CB 0.883 30.485 29.700 -0.162 0.000 1.112 1068 E HN 0.432 nan 8.360 nan 0.000 0.425 1069 R N 2.286 122.730 120.500 -0.093 0.000 3.160 1069 R HA 0.103 5.065 4.340 1.037 0.000 0.266 1069 R C 0.048 176.317 176.300 -0.052 0.000 1.167 1069 R CA 0.047 56.110 56.100 -0.061 0.000 1.124 1069 R CB 0.528 30.798 30.300 -0.051 0.000 1.034 1069 R HN 0.305 nan 8.270 nan 0.000 0.536 1070 N N -0.496 118.182 118.700 -0.037 0.000 2.455 1070 N HA 0.205 5.567 4.740 1.037 0.000 0.285 1070 N C -1.823 173.673 175.510 -0.023 0.000 1.080 1070 N CA -0.262 52.769 53.050 -0.032 0.000 0.932 1070 N CB 2.222 40.693 38.487 -0.027 0.000 1.610 1070 N HN 0.583 nan 8.380 nan 0.000 0.493 1071 T N 0.724 115.264 114.554 -0.024 0.000 2.807 1071 T HA 0.531 5.503 4.350 1.037 0.000 0.277 1071 T C 1.266 175.956 174.700 -0.017 0.000 1.006 1071 T CA -0.148 61.941 62.100 -0.018 0.000 1.006 1071 T CB 1.306 70.163 68.868 -0.018 0.000 1.274 1071 T HN 0.473 nan 8.240 nan 0.000 0.569 1072 A N -0.101 122.711 122.820 -0.013 0.000 2.066 1072 A HA 0.168 5.111 4.320 1.037 0.000 0.218 1072 A C 1.990 179.566 177.584 -0.014 0.000 1.157 1072 A CA 1.014 53.044 52.037 -0.013 0.000 0.670 1072 A CB -0.854 18.140 19.000 -0.010 0.000 0.804 1072 A HN 0.687 nan 8.150 nan 0.000 0.453 1073 L N -2.112 119.102 121.223 -0.015 0.000 2.240 1073 L HA 0.184 5.146 4.340 1.037 0.000 0.211 1073 L C 1.829 178.688 176.870 -0.019 0.000 1.106 1073 L CA 0.825 55.656 54.840 -0.016 0.000 0.793 1073 L CB -0.205 41.845 42.059 -0.015 0.000 0.927 1073 L HN 0.593 nan 8.230 nan 0.000 0.446 1074 G N -0.973 107.813 108.800 -0.022 0.000 1.924 1074 G HA2 -0.045 4.538 3.960 1.037 0.000 0.077 1074 G HA3 -0.045 4.538 3.960 1.037 0.000 0.077 1074 G C -0.740 174.142 174.900 -0.031 0.000 1.448 1074 G CA -0.058 45.027 45.100 -0.026 0.000 1.087 1074 G HN -0.161 nan 8.290 nan 0.000 0.304 1075 V N 1.818 121.710 119.914 -0.036 0.000 2.624 1075 V HA 0.451 5.193 4.120 1.037 0.000 0.294 1075 V C -0.655 175.408 176.094 -0.052 0.000 1.077 1075 V CA -0.393 61.880 62.300 -0.046 0.000 0.905 1075 V CB 1.498 33.289 31.823 -0.053 0.000 1.025 1075 V HN 0.553 nan 8.190 nan 0.000 0.440 1076 I N 3.538 124.077 120.570 -0.052 0.000 2.312 1076 I HA 0.425 5.218 4.170 1.037 0.000 0.291 1076 I C 0.388 176.456 176.117 -0.082 0.000 1.031 1076 I CA 0.185 61.451 61.300 -0.056 0.000 1.293 1076 I CB 1.510 39.484 38.000 -0.043 0.000 1.403 1076 I HN 0.573 nan 8.210 nan 0.000 0.484 1077 S N 7.089 122.729 115.700 -0.099 0.000 2.454 1077 S HA 0.651 5.743 4.470 1.037 0.000 0.306 1077 S C -0.722 173.775 174.600 -0.172 0.000 1.100 1077 S CA -0.567 57.539 58.200 -0.156 0.000 1.087 1077 S CB 0.761 63.858 63.200 -0.172 0.000 1.019 1077 S HN 0.879 nan 8.310 nan 0.000 0.480 1078 N N 2.211 120.769 118.700 -0.236 0.000 3.116 1078 N HA 0.407 5.770 4.740 1.037 0.000 0.244 1078 N C -1.824 173.492 175.510 -0.324 0.000 1.485 1078 N CA -1.200 51.722 53.050 -0.213 0.000 0.884 1078 N CB 0.564 39.015 38.487 -0.059 0.000 1.415 1078 N HN 0.486 nan 8.380 nan 0.000 0.524 1079 W N 0.560 121.828 121.300 -0.053 0.000 2.376 1079 W HA 0.512 5.794 4.660 1.036 0.000 0.322 1079 W C 0.240 176.732 176.519 -0.045 0.000 1.160 1079 W CA -0.189 57.122 57.345 -0.057 0.000 1.218 1079 W CB 1.063 30.497 29.460 -0.043 0.000 1.205 1079 W HN 0.158 nan 8.180 nan 0.000 0.559 1080 K N 1.173 121.696 120.400 0.206 0.000 2.283 1080 K HA 0.325 5.268 4.320 1.037 0.000 0.257 1080 K C -1.339 175.338 176.600 0.128 0.000 1.066 1080 K CA -0.958 55.399 56.287 0.115 0.000 0.891 1080 K CB 1.145 33.668 32.500 0.039 0.000 1.438 1080 K HN 0.282 nan 8.250 nan 0.000 0.464 1081 D N 1.667 122.116 120.400 0.081 0.000 2.232 1081 D HA 0.063 5.325 4.640 1.037 0.000 0.242 1081 D C 0.989 177.334 176.300 0.075 0.000 1.093 1081 D CA -0.021 54.021 54.000 0.071 0.000 0.845 1081 D CB 1.892 42.715 40.800 0.037 0.000 1.124 1081 D HN 0.535 nan 8.370 nan 0.000 0.467 1082 E N 1.690 121.954 120.200 0.106 0.000 2.070 1082 E HA -0.251 4.722 4.350 1.037 0.000 0.197 1082 E C 0.628 177.264 176.600 0.061 0.000 1.004 1082 E CA 1.728 58.205 56.400 0.128 0.000 0.805 1082 E CB 0.050 29.851 29.700 0.169 0.000 0.744 1082 E HN 0.406 nan 8.360 nan 0.000 0.451 1083 S N -1.858 113.857 115.700 0.024 0.000 3.672 1083 S HA -0.284 4.808 4.470 1.037 0.000 0.319 1083 S C 0.730 175.312 174.600 -0.030 0.000 1.151 1083 S CA 1.193 59.389 58.200 -0.008 0.000 0.911 1083 S CB -1.475 61.727 63.200 0.004 0.000 0.939 1083 S HN 0.558 nan 8.310 nan 0.000 0.524 1084 R N -0.699 119.775 120.500 -0.043 0.000 2.072 1084 R HA 0.407 5.369 4.340 1.037 0.000 0.214 1084 R C 0.260 176.485 176.300 -0.124 0.000 1.168 1084 R CA 0.613 56.670 56.100 -0.071 0.000 1.020 1084 R CB 0.020 30.285 30.300 -0.058 0.000 0.914 1084 R HN 0.411 nan 8.270 nan 0.000 0.449 1085 L N 2.207 123.335 121.223 -0.158 0.000 2.399 1085 L HA 0.402 5.364 4.340 1.037 0.000 0.265 1085 L C -2.039 174.670 176.870 -0.270 0.000 1.089 1085 L CA -2.022 52.650 54.840 -0.279 0.000 0.802 1085 L CB 1.140 42.992 42.059 -0.345 0.000 1.180 1085 L HN 0.224 nan 8.230 nan 0.000 0.454 1086 P HA 0.398 nan 4.420 nan 0.000 0.283 1086 P C -2.808 174.342 177.300 -0.250 0.000 1.278 1086 P CA -2.193 60.764 63.100 -0.238 0.000 0.834 1086 P CB 0.408 31.993 31.700 -0.192 0.000 1.150 1087 P HA 0.011 nan 4.420 nan 0.000 0.261 1087 P C -0.295 176.929 177.300 -0.127 0.000 1.173 1087 P CA 0.635 63.665 63.100 -0.118 0.000 0.760 1087 P CB -0.170 31.492 31.700 -0.065 0.000 0.783 1088 C N -0.331 118.898 119.300 -0.118 0.000 3.034 1088 C HA 0.558 5.640 4.460 1.037 0.000 0.336 1088 C C -0.092 174.869 174.990 -0.048 0.000 1.304 1088 C CA -0.621 58.355 59.018 -0.070 0.000 1.197 1088 C CB 0.683 28.365 27.740 -0.096 0.000 1.373 1088 C HN 0.664 nan 8.230 nan 0.000 0.459 1089 T N -0.306 114.266 114.554 0.030 0.000 2.913 1089 T HA 0.394 5.366 4.350 1.037 0.000 0.297 1089 T C 1.384 176.105 174.700 0.035 0.000 1.029 1089 T CA 0.085 62.219 62.100 0.057 0.000 1.104 1089 T CB 0.511 69.465 68.868 0.144 0.000 0.964 1089 T HN 1.765 nan 8.240 nan 0.000 0.532 1090 I N 0.315 120.885 120.570 0.001 0.000 2.423 1090 I HA -0.009 4.783 4.170 1.037 0.000 0.254 1090 I C 1.958 178.091 176.117 0.027 0.000 1.151 1090 I CA 1.313 62.547 61.300 -0.110 0.000 1.421 1090 I CB -0.670 37.307 38.000 -0.039 0.000 1.079 1090 I HN 0.615 nan 8.210 nan 0.000 0.431 1091 F N 2.133 122.123 119.950 0.067 0.000 2.113 1091 F HA -0.141 5.011 4.527 1.041 0.000 0.297 1091 F C 2.585 178.467 175.800 0.137 0.000 1.103 1091 F CA 1.804 59.891 58.000 0.144 0.000 1.248 1091 F CB -0.414 38.656 39.000 0.116 0.000 0.999 1091 F HN 0.078 nan 8.300 nan 0.000 0.475 1092 Q N -0.054 119.873 119.800 0.212 0.000 2.167 1092 Q HA -0.111 4.852 4.340 1.037 0.000 0.202 1092 Q C 2.403 178.566 176.000 0.272 0.000 0.970 1092 Q CA 1.172 57.139 55.803 0.272 0.000 0.855 1092 Q CB -0.404 28.560 28.738 0.378 0.000 0.911 1092 Q HN 0.530 nan 8.270 nan 0.000 0.438 1093 A N 0.537 123.404 122.820 0.078 0.000 1.855 1093 A HA -0.148 4.794 4.320 1.037 0.000 0.215 1093 A C 1.654 179.234 177.584 -0.007 0.000 1.191 1093 A CA 1.142 53.170 52.037 -0.014 0.000 0.613 1093 A CB -0.661 18.125 19.000 -0.357 0.000 0.829 1093 A HN 0.291 nan 8.150 nan 0.000 0.442 1094 F N 0.031 119.967 119.950 -0.024 0.000 2.293 1094 F HA 0.002 5.150 4.527 1.034 0.000 0.300 1094 F C 2.175 177.850 175.800 -0.210 0.000 1.086 1094 F CA 1.543 59.489 58.000 -0.091 0.000 1.375 1094 F CB -0.261 38.682 39.000 -0.095 0.000 1.045 1094 F HN 0.242 nan 8.300 nan 0.000 0.516 1095 K N -0.918 119.360 120.400 -0.202 0.000 2.137 1095 K HA -0.080 4.863 4.320 1.037 0.000 0.202 1095 K C 1.088 177.310 176.600 -0.630 0.000 1.052 1095 K CA 1.528 57.482 56.287 -0.555 0.000 0.961 1095 K CB -0.226 31.675 32.500 -1.000 0.000 0.741 1095 K HN 0.220 nan 8.250 nan 0.000 0.452 1096 Y N -2.257 117.946 120.300 -0.162 0.000 2.426 1096 Y HA 0.216 5.387 4.550 1.034 0.000 0.249 1096 Y C 0.438 176.054 175.900 -0.472 0.000 1.103 1096 Y CA -0.225 57.655 58.100 -0.368 0.000 1.256 1096 Y CB 0.666 38.798 38.460 -0.547 0.000 1.208 1096 Y HN -0.006 nan 8.280 nan 0.000 0.519 1097 Y N -1.046 119.283 120.300 0.047 0.000 2.432 1097 Y HA 0.414 5.587 4.550 1.038 0.000 0.252 1097 Y C -0.020 175.890 175.900 0.017 0.000 1.097 1097 Y CA -0.537 57.579 58.100 0.027 0.000 1.250 1097 Y CB 0.843 39.284 38.460 -0.031 0.000 1.245 1097 Y HN -0.252 nan 8.280 nan 0.000 0.522 1098 L N 0.541 121.861 121.223 0.162 0.000 2.365 1098 L HA 0.355 5.317 4.340 1.037 0.000 0.273 1098 L C -0.698 176.235 176.870 0.104 0.000 1.000 1098 L CA -0.981 53.939 54.840 0.133 0.000 0.819 1098 L CB 1.618 43.777 42.059 0.167 0.000 1.284 1098 L HN -0.096 nan 8.230 nan 0.000 0.418 1099 D N 3.712 124.160 120.400 0.081 0.000 2.344 1099 D HA 0.136 5.398 4.640 1.037 0.000 0.253 1099 D C 0.621 176.952 176.300 0.051 0.000 1.255 1099 D CA -0.004 54.028 54.000 0.052 0.000 0.894 1099 D CB 0.923 41.749 40.800 0.043 0.000 1.067 1099 D HN 0.552 nan 8.370 nan 0.000 0.492 1100 I N 0.991 121.576 120.570 0.026 0.000 3.976 1100 I HA 0.152 4.945 4.170 1.037 0.000 0.337 1100 I C 0.985 177.084 176.117 -0.030 0.000 1.359 1100 I CA -0.214 61.085 61.300 -0.002 0.000 1.098 1100 I CB 0.408 38.379 38.000 -0.049 0.000 1.027 1100 I HN 0.168 nan 8.210 nan 0.000 0.394 1101 T N -3.426 111.113 114.554 -0.025 0.000 2.959 1101 T HA 0.202 5.174 4.350 1.037 0.000 0.254 1101 T C 0.826 175.513 174.700 -0.022 0.000 1.003 1101 T CA 0.041 62.110 62.100 -0.052 0.000 0.950 1101 T CB -0.305 68.524 68.868 -0.065 0.000 1.090 1101 T HN 0.171 nan 8.240 nan 0.000 0.503 1102 T N 4.839 119.395 114.554 0.004 0.000 2.901 1102 T HA 0.383 5.356 4.350 1.037 0.000 0.301 1102 T C -2.611 172.092 174.700 0.006 0.000 1.012 1102 T CA -0.761 61.344 62.100 0.009 0.000 1.135 1102 T CB 0.894 69.774 68.868 0.020 0.000 0.936 1102 T HN 0.151 nan 8.240 nan 0.000 0.539 1103 P HA 0.192 nan 4.420 nan 0.000 0.268 1103 P C -2.368 174.987 177.300 0.092 0.000 1.204 1103 P CA -1.112 61.969 63.100 -0.031 0.000 0.768 1103 P CB -0.343 31.235 31.700 -0.203 0.000 0.842 1104 P HA 0.007 nan 4.420 nan 0.000 0.267 1104 P C 0.036 177.488 177.300 0.253 0.000 1.200 1104 P CA 0.214 63.426 63.100 0.187 0.000 0.772 1104 P CB 0.093 31.932 31.700 0.233 0.000 0.855 1105 T N 0.533 115.134 114.554 0.079 0.000 2.816 1105 T HA 0.233 5.206 4.350 1.037 0.000 0.282 1105 T C -1.881 172.726 174.700 -0.156 0.000 0.993 1105 T CA -1.705 60.416 62.100 0.036 0.000 0.994 1105 T CB 0.121 68.987 68.868 -0.004 0.000 1.025 1105 T HN 0.147 nan 8.240 nan 0.000 0.529 1106 P HA -0.077 nan 4.420 nan 0.000 0.215 1106 P C 1.701 178.858 177.300 -0.238 0.000 1.153 1106 P CA 0.295 63.127 63.100 -0.446 0.000 0.853 1106 P CB -0.063 31.360 31.700 -0.462 0.000 0.788 1107 L N 0.240 121.368 121.223 -0.158 0.000 1.970 1107 L HA -0.237 4.725 4.340 1.037 0.000 0.212 1107 L C 2.219 178.980 176.870 -0.182 0.000 1.071 1107 L CA 2.001 56.772 54.840 -0.115 0.000 0.751 1107 L CB -1.753 40.278 42.059 -0.048 0.000 0.889 1107 L HN -0.019 nan 8.230 nan 0.000 0.432 1108 Q N -0.825 118.829 119.800 -0.243 0.000 2.197 1108 Q HA -0.226 4.736 4.340 1.037 0.000 0.207 1108 Q C 2.284 177.872 176.000 -0.686 0.000 0.984 1108 Q CA 1.730 57.256 55.803 -0.460 0.000 0.869 1108 Q CB -0.314 28.140 28.738 -0.474 0.000 0.906 1108 Q HN 0.558 nan 8.270 nan 0.000 0.426 1109 L N 0.098 121.074 121.223 -0.412 0.000 2.109 1109 L HA -0.203 4.760 4.340 1.037 0.000 0.207 1109 L C 2.546 179.306 176.870 -0.184 0.000 1.086 1109 L CA 0.898 55.565 54.840 -0.289 0.000 0.760 1109 L CB -0.262 41.677 42.059 -0.200 0.000 0.910 1109 L HN 0.230 nan 8.230 nan 0.000 0.437 1110 Q N 0.389 120.086 119.800 -0.171 0.000 2.135 1110 Q HA -0.256 4.707 4.340 1.037 0.000 0.204 1110 Q C 2.129 178.106 176.000 -0.037 0.000 0.981 1110 Q CA 1.806 57.553 55.803 -0.095 0.000 0.856 1110 Q CB -0.060 28.630 28.738 -0.081 0.000 0.902 1110 Q HN 0.485 nan 8.270 nan 0.000 0.425 1111 Q N -1.373 118.392 119.800 -0.059 0.000 2.245 1111 Q HA -0.035 4.928 4.340 1.037 0.000 0.201 1111 Q C 1.918 178.003 176.000 0.142 0.000 0.955 1111 Q CA 0.819 56.648 55.803 0.044 0.000 0.870 1111 Q CB -0.048 28.695 28.738 0.009 0.000 0.945 1111 Q HN 0.464 nan 8.270 nan 0.000 0.461 1112 F N 0.704 120.597 119.950 -0.094 0.000 2.146 1112 F HA -0.167 4.982 4.527 1.038 0.000 0.298 1112 F C 2.518 178.242 175.800 -0.125 0.000 1.096 1112 F CA 0.145 58.071 58.000 -0.124 0.000 1.275 1112 F CB -0.094 38.821 39.000 -0.142 0.000 1.008 1112 F HN 0.140 nan 8.300 nan 0.000 0.480 1113 A N 0.518 123.377 122.820 0.064 0.000 1.892 1113 A HA -0.284 4.658 4.320 1.037 0.000 0.218 1113 A C 2.077 179.666 177.584 0.009 0.000 1.188 1113 A CA 2.169 54.189 52.037 -0.028 0.000 0.631 1113 A CB -1.236 17.727 19.000 -0.062 0.000 0.822 1113 A HN 0.416 nan 8.150 nan 0.000 0.447 1114 S N -0.868 114.862 115.700 0.050 0.000 2.653 1114 S HA 0.172 5.265 4.470 1.037 0.000 0.233 1114 S C 1.055 175.708 174.600 0.089 0.000 0.970 1114 S CA 1.048 59.293 58.200 0.074 0.000 0.947 1114 S CB -0.442 62.826 63.200 0.113 0.000 0.771 1114 S HN 0.461 nan 8.310 nan 0.000 0.538 1115 L N -0.181 121.078 121.223 0.060 0.000 2.920 1115 L HA 0.468 5.430 4.340 1.037 0.000 0.257 1115 L C 1.030 177.906 176.870 0.009 0.000 1.150 1115 L CA -0.099 54.766 54.840 0.041 0.000 0.959 1115 L CB -0.053 42.006 42.059 0.000 0.000 1.321 1115 L HN 0.331 nan 8.230 nan 0.000 0.555 1116 A N 0.643 123.463 122.820 -0.001 0.000 2.401 1116 A HA 0.418 5.360 4.320 1.037 0.000 0.259 1116 A C 0.865 178.457 177.584 0.013 0.000 1.103 1116 A CA 0.167 52.201 52.037 -0.005 0.000 0.789 1116 A CB 0.077 19.058 19.000 -0.032 0.000 1.035 1116 A HN 0.276 nan 8.150 nan 0.000 0.491 1117 T N -0.413 114.154 114.554 0.021 0.000 3.308 1117 T HA 0.280 5.252 4.350 1.037 0.000 0.270 1117 T C -0.209 174.507 174.700 0.027 0.000 0.992 1117 T CA -0.551 61.564 62.100 0.024 0.000 0.931 1117 T CB -0.617 68.266 68.868 0.025 0.000 1.142 1117 T HN 0.593 nan 8.240 nan 0.000 0.525 1118 N N 1.246 119.965 118.700 0.030 0.000 2.533 1118 N HA 0.139 5.501 4.740 1.037 0.000 0.289 1118 N C 0.540 176.070 175.510 0.033 0.000 1.103 1118 N CA -0.289 52.782 53.050 0.036 0.000 0.877 1118 N CB 2.335 40.852 38.487 0.050 0.000 1.419 1118 N HN 0.423 nan 8.380 nan 0.000 0.517 1119 E N 3.369 123.585 120.200 0.026 0.000 2.110 1119 E HA -0.342 4.631 4.350 1.037 0.000 0.225 1119 E C 1.217 177.832 176.600 0.026 0.000 1.063 1119 E CA 2.096 58.508 56.400 0.021 0.000 0.906 1119 E CB 0.080 29.792 29.700 0.019 0.000 0.795 1119 E HN 0.653 nan 8.360 nan 0.000 0.479 1120 K N 0.343 120.764 120.400 0.035 0.000 2.032 1120 K HA -0.243 4.699 4.320 1.037 0.000 0.209 1120 K C 2.251 178.892 176.600 0.069 0.000 1.048 1120 K CA 1.869 58.183 56.287 0.045 0.000 0.927 1120 K CB -0.202 32.326 32.500 0.046 0.000 0.712 1120 K HN 0.208 nan 8.250 nan 0.000 0.441 1121 E N 0.342 120.598 120.200 0.092 0.000 2.265 1121 E HA -0.202 4.771 4.350 1.037 0.000 0.196 1121 E C 1.755 178.410 176.600 0.091 0.000 0.996 1121 E CA 1.080 57.583 56.400 0.171 0.000 0.832 1121 E CB 0.168 29.976 29.700 0.179 0.000 0.756 1121 E HN 0.234 nan 8.360 nan 0.000 0.491 1122 K N -0.312 120.097 120.400 0.016 0.000 2.334 1122 K HA -0.021 4.921 4.320 1.037 0.000 0.195 1122 K C 1.831 178.389 176.600 -0.070 0.000 1.045 1122 K CA 0.259 56.514 56.287 -0.052 0.000 1.004 1122 K CB 0.289 32.774 32.500 -0.024 0.000 0.837 1122 K HN 0.081 nan 8.250 nan 0.000 0.510 1123 Q N 0.034 119.815 119.800 -0.032 0.000 2.137 1123 Q HA -0.098 4.864 4.340 1.037 0.000 0.198 1123 Q C 1.962 177.931 176.000 -0.052 0.000 0.960 1123 Q CA 0.904 56.687 55.803 -0.033 0.000 0.847 1123 Q CB 0.006 28.740 28.738 -0.007 0.000 0.915 1123 Q HN 0.049 nan 8.270 nan 0.000 0.448 1124 R N 1.340 121.821 120.500 -0.031 0.000 2.091 1124 R HA -0.113 4.849 4.340 1.037 0.000 0.238 1124 R C 1.830 178.022 176.300 -0.180 0.000 1.136 1124 R CA 1.353 57.434 56.100 -0.032 0.000 0.959 1124 R CB -0.670 29.701 30.300 0.119 0.000 0.856 1124 R HN 0.247 nan 8.270 nan 0.000 0.437 1125 L N -0.214 120.820 121.223 -0.316 0.000 2.083 1125 L HA -0.149 4.814 4.340 1.037 0.000 0.209 1125 L C 2.141 178.855 176.870 -0.260 0.000 1.083 1125 L CA 1.206 55.773 54.840 -0.453 0.000 0.752 1125 L CB -0.230 41.532 42.059 -0.494 0.000 0.899 1125 L HN 0.238 nan 8.230 nan 0.000 0.433 1126 L N -1.854 119.270 121.223 -0.166 0.000 2.240 1126 L HA -0.114 4.849 4.340 1.037 0.000 0.211 1126 L C 2.304 179.117 176.870 -0.095 0.000 1.106 1126 L CA 0.265 55.037 54.840 -0.112 0.000 0.793 1126 L CB -0.254 41.761 42.059 -0.073 0.000 0.927 1126 L HN 0.037 nan 8.230 nan 0.000 0.446 1127 V N 0.089 119.951 119.914 -0.087 0.000 2.453 1127 V HA -0.232 4.511 4.120 1.037 0.000 0.247 1127 V C 2.267 178.327 176.094 -0.055 0.000 1.048 1127 V CA 1.425 63.694 62.300 -0.052 0.000 1.049 1127 V CB -0.280 31.525 31.823 -0.030 0.000 0.672 1127 V HN 0.352 nan 8.190 nan 0.000 0.457 1128 L N -0.410 120.745 121.223 -0.114 0.000 2.217 1128 L HA -0.062 4.901 4.340 1.037 0.000 0.211 1128 L C 2.439 179.234 176.870 -0.125 0.000 1.107 1128 L CA 0.935 55.719 54.840 -0.093 0.000 0.783 1128 L CB -0.574 41.303 42.059 -0.303 0.000 0.919 1128 L HN 0.235 nan 8.230 nan 0.000 0.442 1129 S N -0.036 115.563 115.700 -0.168 0.000 2.528 1129 S HA -0.142 4.951 4.470 1.037 0.000 0.244 1129 S C 1.777 176.269 174.600 -0.179 0.000 0.982 1129 S CA 1.080 59.166 58.200 -0.190 0.000 0.953 1129 S CB -0.140 62.973 63.200 -0.144 0.000 0.754 1129 S HN 0.422 nan 8.310 nan 0.000 0.529 1130 K N 0.042 120.367 120.400 -0.125 0.000 2.243 1130 K HA 0.179 5.121 4.320 1.037 0.000 0.201 1130 K C 1.493 178.041 176.600 -0.088 0.000 1.051 1130 K CA 0.575 56.812 56.287 -0.082 0.000 0.970 1130 K CB -0.066 32.419 32.500 -0.026 0.000 0.755 1130 K HN 0.318 nan 8.250 nan 0.000 0.465 1131 G N 1.223 109.945 108.800 -0.131 0.000 2.148 1131 G HA2 -0.260 4.322 3.960 1.037 0.000 0.254 1131 G HA3 -0.260 4.322 3.960 1.037 0.000 0.254 1131 G C 0.215 175.217 174.900 0.169 0.000 0.981 1131 G CA 0.229 45.286 45.100 -0.072 0.000 0.670 1131 G HN 0.100 nan 8.290 nan 0.000 0.528 1132 L N -1.301 120.013 121.223 0.153 0.000 3.011 1132 L HA 0.362 5.325 4.340 1.037 0.000 0.185 1132 L C 2.356 179.345 176.870 0.198 0.000 1.457 1132 L CA -0.268 54.663 54.840 0.152 0.000 1.482 1132 L CB -0.411 41.707 42.059 0.097 0.000 2.432 1132 L HN 0.120 nan 8.230 nan 0.000 0.546 1133 Q N -0.104 119.789 119.800 0.154 0.000 2.020 1133 Q HA -0.226 4.737 4.340 1.037 0.000 0.202 1133 Q C 1.844 177.951 176.000 0.178 0.000 0.982 1133 Q CA 1.920 57.819 55.803 0.161 0.000 0.838 1133 Q CB -0.101 28.711 28.738 0.123 0.000 0.899 1133 Q HN 0.479 nan 8.270 nan 0.000 0.423 1134 E N 0.366 120.660 120.200 0.157 0.000 2.086 1134 E HA -0.285 4.688 4.350 1.037 0.000 0.205 1134 E C 1.640 178.381 176.600 0.235 0.000 1.027 1134 E CA 1.784 58.282 56.400 0.163 0.000 0.830 1134 E CB -0.677 29.091 29.700 0.113 0.000 0.751 1134 E HN 0.397 nan 8.360 nan 0.000 0.456 1135 Y N 1.953 122.323 120.300 0.116 0.000 2.053 1135 Y HA -0.289 4.881 4.550 1.034 0.000 0.277 1135 Y C 2.049 178.080 175.900 0.219 0.000 1.159 1135 Y CA 2.025 60.225 58.100 0.167 0.000 1.125 1135 Y CB -0.226 38.295 38.460 0.102 0.000 0.969 1135 Y HN -0.051 nan 8.280 nan 0.000 0.492 1136 E N 0.513 120.796 120.200 0.139 0.000 2.048 1136 E HA -0.330 4.642 4.350 1.037 0.000 0.202 1136 E C 2.189 178.857 176.600 0.113 0.000 1.021 1136 E CA 1.864 58.312 56.400 0.080 0.000 0.825 1136 E CB -0.784 29.074 29.700 0.263 0.000 0.756 1136 E HN 0.768 nan 8.360 nan 0.000 0.454 1137 E N -0.179 120.131 120.200 0.182 0.000 2.085 1137 E HA -0.217 4.755 4.350 1.037 0.000 0.194 1137 E C 2.050 178.765 176.600 0.192 0.000 0.994 1137 E CA 1.455 57.968 56.400 0.189 0.000 0.801 1137 E CB -0.335 29.469 29.700 0.174 0.000 0.743 1137 E HN 0.323 nan 8.360 nan 0.000 0.453 1138 W N 2.021 123.313 121.300 -0.013 0.000 2.354 1138 W HA -0.184 5.099 4.660 1.039 0.000 0.315 1138 W C 2.378 178.839 176.519 -0.098 0.000 1.206 1138 W CA 2.323 59.658 57.345 -0.017 0.000 1.290 1138 W CB -0.334 29.142 29.460 0.027 0.000 1.152 1138 W HN -0.037 nan 8.180 nan 0.000 0.489 1139 K N -0.486 119.776 120.400 -0.230 0.000 1.978 1139 K HA -0.251 4.692 4.320 1.037 0.000 0.214 1139 K C 2.027 178.353 176.600 -0.456 0.000 1.049 1139 K CA 2.367 58.267 56.287 -0.645 0.000 0.939 1139 K CB -1.199 30.701 32.500 -1.000 0.000 0.721 1139 K HN 0.315 nan 8.250 nan 0.000 0.441 1140 W N 0.129 121.321 121.300 -0.180 0.000 2.465 1140 W HA -0.028 5.246 4.660 1.023 0.000 0.268 1140 W C 2.093 178.551 176.519 -0.102 0.000 1.242 1140 W CA 0.284 57.549 57.345 -0.133 0.000 1.248 1140 W CB -0.097 29.293 29.460 -0.118 0.000 1.118 1140 W HN 0.397 nan 8.180 nan 0.000 0.587 1141 G N 0.371 109.240 108.800 0.115 0.000 2.447 1141 G HA2 -0.117 4.466 3.960 1.037 0.000 0.211 1141 G HA3 -0.117 4.466 3.960 1.037 0.000 0.211 1141 G C 1.410 176.311 174.900 0.002 0.000 1.184 1141 G CA 0.455 45.605 45.100 0.083 0.000 0.813 1141 G HN 0.140 nan 8.290 nan 0.000 0.540 1142 K N -0.047 120.267 120.400 -0.143 0.000 2.323 1142 K HA 0.068 5.010 4.320 1.037 0.000 0.197 1142 K C 0.835 177.315 176.600 -0.201 0.000 1.043 1142 K CA 0.309 56.473 56.287 -0.205 0.000 0.997 1142 K CB 0.178 32.475 32.500 -0.338 0.000 0.807 1142 K HN 0.241 nan 8.250 nan 0.000 0.497 1143 N N 1.455 120.025 118.700 -0.217 0.000 2.699 1143 N HA -0.108 5.254 4.740 1.037 0.000 0.256 1143 N C -2.746 172.746 175.510 -0.030 0.000 0.993 1143 N CA 0.105 53.098 53.050 -0.095 0.000 0.759 1143 N CB -0.435 38.126 38.487 0.124 0.000 0.906 1143 N HN 0.120 nan 8.380 nan 0.000 0.541 1144 P HA 0.088 nan 4.420 nan 0.000 0.271 1144 P C 0.113 177.360 177.300 -0.088 0.000 1.216 1144 P CA 0.020 63.002 63.100 -0.196 0.000 0.771 1144 P CB 0.802 32.213 31.700 -0.483 0.000 0.864 1145 T N 0.148 114.671 114.554 -0.051 0.000 2.847 1145 T HA 0.226 5.198 4.350 1.037 0.000 0.279 1145 T C 1.419 176.120 174.700 0.002 0.000 0.984 1145 T CA -0.690 61.365 62.100 -0.074 0.000 0.988 1145 T CB 0.432 69.198 68.868 -0.170 0.000 1.040 1145 T HN 0.107 nan 8.240 nan 0.000 0.528 1146 M N 0.863 120.470 119.600 0.013 0.000 2.108 1146 M HA -0.035 5.067 4.480 1.037 0.000 0.261 1146 M C 2.061 178.364 176.300 0.006 0.000 1.066 1146 M CA 1.236 56.572 55.300 0.060 0.000 1.107 1146 M CB -1.258 31.356 32.600 0.024 0.000 1.356 1146 M HN 0.667 nan 8.290 nan 0.000 0.406 1147 V N -0.260 119.624 119.914 -0.050 0.000 2.295 1147 V HA -0.281 4.462 4.120 1.037 0.000 0.246 1147 V C 2.088 178.169 176.094 -0.022 0.000 1.049 1147 V CA 2.021 64.283 62.300 -0.063 0.000 1.024 1147 V CB -0.788 30.984 31.823 -0.085 0.000 0.648 1147 V HN 0.488 nan 8.190 nan 0.000 0.447 1148 E N -0.272 119.924 120.200 -0.007 0.000 2.209 1148 E HA -0.182 4.790 4.350 1.037 0.000 0.196 1148 E C 2.153 178.801 176.600 0.079 0.000 0.993 1148 E CA 1.385 57.797 56.400 0.020 0.000 0.819 1148 E CB -0.151 29.563 29.700 0.023 0.000 0.745 1148 E HN 0.486 nan 8.360 nan 0.000 0.477 1149 V N 1.091 121.100 119.914 0.158 0.000 2.283 1149 V HA -0.216 4.526 4.120 1.037 0.000 0.243 1149 V C 2.243 178.479 176.094 0.236 0.000 1.039 1149 V CA 1.289 63.795 62.300 0.342 0.000 1.016 1149 V CB -0.376 31.731 31.823 0.474 0.000 0.650 1149 V HN 0.258 nan 8.190 nan 0.000 0.449 1150 L N -0.121 121.137 121.223 0.058 0.000 2.079 1150 L HA -0.198 4.764 4.340 1.037 0.000 0.210 1150 L C 2.492 179.363 176.870 0.002 0.000 1.081 1150 L CA 1.666 56.487 54.840 -0.032 0.000 0.752 1150 L CB -0.630 41.358 42.059 -0.118 0.000 0.896 1150 L HN 0.424 nan 8.230 nan 0.000 0.433 1151 E N -0.402 119.794 120.200 -0.007 0.000 2.285 1151 E HA -0.199 4.773 4.350 1.037 0.000 0.194 1151 E C 1.902 178.461 176.600 -0.067 0.000 0.997 1151 E CA 0.515 56.897 56.400 -0.030 0.000 0.845 1151 E CB 0.117 29.799 29.700 -0.031 0.000 0.782 1151 E HN 0.489 nan 8.360 nan 0.000 0.491 1152 E N 0.151 120.282 120.200 -0.115 0.000 2.230 1152 E HA -0.058 4.914 4.350 1.037 0.000 0.192 1152 E C -0.226 176.033 176.600 -0.570 0.000 0.987 1152 E CA 0.421 56.609 56.400 -0.352 0.000 0.841 1152 E CB 0.316 29.745 29.700 -0.451 0.000 0.783 1152 E HN 0.085 nan 8.360 nan 0.000 0.481 1153 F N 1.097 121.059 119.950 0.020 0.000 2.449 1153 F HA 0.311 5.459 4.527 1.036 0.000 0.344 1153 F C -1.886 173.890 175.800 -0.039 0.000 1.180 1153 F CA -2.050 55.944 58.000 -0.010 0.000 1.209 1153 F CB 1.709 40.696 39.000 -0.022 0.000 1.440 1153 F HN -0.034 nan 8.300 nan 0.000 0.526 1154 P HA -0.100 nan 4.420 nan 0.000 0.239 1154 P C 0.931 178.247 177.300 0.027 0.000 1.184 1154 P CA 0.832 63.947 63.100 0.025 0.000 0.760 1154 P CB 0.169 31.870 31.700 0.002 0.000 0.884 1155 S N -1.465 114.267 115.700 0.054 0.000 2.597 1155 S HA 0.185 5.277 4.470 1.037 0.000 0.224 1155 S C 0.699 175.308 174.600 0.015 0.000 0.955 1155 S CA -0.567 57.654 58.200 0.035 0.000 0.933 1155 S CB -0.812 62.417 63.200 0.048 0.000 0.788 1155 S HN 0.019 nan 8.310 nan 0.000 0.488 1156 I N 3.172 123.738 120.570 -0.006 0.000 2.371 1156 I HA 0.144 4.936 4.170 1.037 0.000 0.290 1156 I C 0.473 176.547 176.117 -0.072 0.000 1.028 1156 I CA -0.410 60.851 61.300 -0.065 0.000 1.345 1156 I CB 1.163 39.068 38.000 -0.159 0.000 1.407 1156 I HN 0.426 nan 8.210 nan 0.000 0.501 1157 Q N 6.713 126.480 119.800 -0.054 0.000 2.571 1157 Q HA 0.326 5.288 4.340 1.037 0.000 0.222 1157 Q C -0.709 175.247 176.000 -0.073 0.000 1.167 1157 Q CA -0.784 54.999 55.803 -0.034 0.000 0.966 1157 Q CB 1.127 29.873 28.738 0.013 0.000 1.274 1157 Q HN 0.488 nan 8.270 nan 0.000 0.552 1158 M N 4.607 124.140 119.600 -0.112 0.000 2.156 1158 M HA 0.337 5.440 4.480 1.037 0.000 0.345 1158 M C -2.550 173.694 176.300 -0.092 0.000 1.398 1158 M CA -2.209 52.997 55.300 -0.158 0.000 1.148 1158 M CB 0.924 33.407 32.600 -0.195 0.000 1.663 1158 M HN 0.317 nan 8.290 nan 0.000 0.464 1159 P HA 0.268 nan 4.420 nan 0.000 0.287 1159 P C -0.184 177.117 177.300 0.002 0.000 1.281 1159 P CA -0.157 62.934 63.100 -0.014 0.000 0.781 1159 P CB 1.015 32.740 31.700 0.042 0.000 0.903 1160 A N 3.614 126.478 122.820 0.073 0.000 1.997 1160 A HA -0.235 4.707 4.320 1.037 0.000 0.221 1160 A C 1.991 179.630 177.584 0.091 0.000 1.172 1160 A CA 2.712 54.817 52.037 0.114 0.000 0.645 1160 A CB -1.752 17.312 19.000 0.106 0.000 0.813 1160 A HN 0.561 nan 8.150 nan 0.000 0.454 1161 T N -2.847 111.774 114.554 0.112 0.000 3.088 1161 T HA 0.065 5.037 4.350 1.037 0.000 0.259 1161 T C 1.565 176.288 174.700 0.038 0.000 1.122 1161 T CA 1.100 63.281 62.100 0.135 0.000 1.095 1161 T CB -0.205 68.849 68.868 0.309 0.000 0.930 1161 T HN 0.225 nan 8.240 nan 0.000 0.508 1162 L N 0.558 121.668 121.223 -0.188 0.000 2.095 1162 L HA 0.376 5.338 4.340 1.037 0.000 0.204 1162 L C 2.160 178.895 176.870 -0.224 0.000 1.080 1162 L CA 1.327 55.819 54.840 -0.578 0.000 0.759 1162 L CB -0.812 40.581 42.059 -1.111 0.000 0.914 1162 L HN 0.299 nan 8.230 nan 0.000 0.439 1163 L N -1.097 120.092 121.223 -0.057 0.000 2.005 1163 L HA -0.198 4.764 4.340 1.037 0.000 0.207 1163 L C 2.531 179.448 176.870 0.078 0.000 1.072 1163 L CA 1.251 56.151 54.840 0.099 0.000 0.744 1163 L CB -0.700 41.528 42.059 0.281 0.000 0.895 1163 L HN 0.232 nan 8.230 nan 0.000 0.433 1164 L N -0.546 120.692 121.223 0.024 0.000 2.197 1164 L HA -0.255 4.708 4.340 1.037 0.000 0.215 1164 L C 2.524 179.322 176.870 -0.120 0.000 1.095 1164 L CA 1.772 56.545 54.840 -0.111 0.000 0.764 1164 L CB -0.620 41.344 42.059 -0.158 0.000 0.897 1164 L HN 0.398 nan 8.230 nan 0.000 0.436 1165 T N -2.930 111.533 114.554 -0.151 0.000 3.000 1165 T HA 0.006 4.978 4.350 1.037 0.000 0.248 1165 T C 1.706 176.299 174.700 -0.178 0.000 1.034 1165 T CA 0.083 62.041 62.100 -0.237 0.000 1.060 1165 T CB 0.274 68.796 68.868 -0.576 0.000 0.983 1165 T HN 0.139 nan 8.240 nan 0.000 0.482 1166 Q N 0.545 120.268 119.800 -0.129 0.000 2.373 1166 Q HA 0.377 5.339 4.340 1.037 0.000 0.210 1166 Q C 0.833 176.798 176.000 -0.059 0.000 0.913 1166 Q CA 0.077 55.822 55.803 -0.096 0.000 0.911 1166 Q CB 0.054 28.727 28.738 -0.108 0.000 1.040 1166 Q HN 0.488 nan 8.270 nan 0.000 0.521 1167 L N 1.348 122.563 121.223 -0.013 0.000 2.482 1167 L HA 0.054 5.016 4.340 1.037 0.000 0.273 1167 L C 0.551 177.421 176.870 -0.000 0.000 1.228 1167 L CA -0.017 54.835 54.840 0.021 0.000 0.827 1167 L CB 0.388 42.505 42.059 0.095 0.000 1.099 1167 L HN -0.033 nan 8.230 nan 0.000 0.494 1168 S N 1.514 117.217 115.700 0.004 0.000 2.617 1168 S HA 0.420 5.513 4.470 1.037 0.000 0.269 1168 S C -0.081 174.537 174.600 0.030 0.000 1.292 1168 S CA -0.741 57.457 58.200 -0.003 0.000 1.010 1168 S CB 0.907 64.101 63.200 -0.009 0.000 0.944 1168 S HN 0.277 nan 8.310 nan 0.000 0.536 1169 L N 2.073 123.316 121.223 0.033 0.000 2.456 1169 L HA 0.183 5.145 4.340 1.037 0.000 0.272 1169 L C 0.023 176.971 176.870 0.130 0.000 1.189 1169 L CA -0.625 54.263 54.840 0.081 0.000 0.846 1169 L CB 0.067 42.160 42.059 0.056 0.000 1.111 1169 L HN 0.428 nan 8.230 nan 0.000 0.475 1170 L N 3.938 125.257 121.223 0.159 0.000 2.433 1170 L HA 0.082 5.045 4.340 1.037 0.000 0.275 1170 L C 0.194 177.184 176.870 0.200 0.000 1.128 1170 L CA 0.420 55.337 54.840 0.128 0.000 0.875 1170 L CB 0.204 42.308 42.059 0.074 0.000 1.171 1170 L HN 0.489 nan 8.230 nan 0.000 0.463 1171 Q N 6.957 126.821 119.800 0.107 0.000 2.306 1171 Q HA 0.434 5.396 4.340 1.037 0.000 0.241 1171 Q C -2.236 173.682 176.000 -0.136 0.000 0.948 1171 Q CA -1.656 54.181 55.803 0.057 0.000 0.886 1171 Q CB 0.695 29.447 28.738 0.023 0.000 1.227 1171 Q HN 0.491 nan 8.270 nan 0.000 0.457 1172 P HA 0.321 nan 4.420 nan 0.000 0.281 1172 P C -0.748 176.177 177.300 -0.625 0.000 1.249 1172 P CA -0.525 62.044 63.100 -0.885 0.000 0.810 1172 P CB 1.019 31.724 31.700 -1.659 0.000 1.008 1173 R N 1.319 121.503 120.500 -0.527 0.000 2.474 1173 R HA 0.480 5.442 4.340 1.037 0.000 0.295 1173 R C -0.525 175.343 176.300 -0.721 0.000 0.980 1173 R CA -0.517 55.299 56.100 -0.473 0.000 0.934 1173 R CB 0.222 30.383 30.300 -0.232 0.000 1.101 1173 R HN 0.429 nan 8.270 nan 0.000 0.469 1174 Y N 1.903 121.825 120.300 -0.631 0.000 2.310 1174 Y HA 0.378 5.502 4.550 0.956 0.000 0.326 1174 Y C -0.492 174.806 175.900 -1.002 0.000 1.151 1174 Y CA 0.077 57.788 58.100 -0.647 0.000 1.195 1174 Y CB 0.994 39.121 38.460 -0.556 0.000 1.210 1174 Y HN 0.424 nan 8.280 nan 0.000 0.483 1175 Y N -0.113 120.115 120.300 -0.119 0.000 2.421 1175 Y HA 0.313 5.515 4.550 1.087 0.000 0.339 1175 Y C -0.136 175.722 175.900 -0.070 0.000 0.996 1175 Y CA -1.260 56.744 58.100 -0.159 0.000 1.046 1175 Y CB 1.940 40.311 38.460 -0.147 0.000 1.226 1175 Y HN 0.445 nan 8.280 nan 0.000 0.445 1176 S N 3.823 119.558 115.700 0.059 0.000 2.516 1176 S HA 0.271 5.363 4.470 1.037 0.000 0.282 1176 S C 0.127 174.714 174.600 -0.021 0.000 1.286 1176 S CA -0.366 57.867 58.200 0.055 0.000 1.066 1176 S CB -0.144 63.102 63.200 0.077 0.000 0.884 1176 S HN 0.423 nan 8.310 nan 0.000 0.491 1177 I N 3.079 123.575 120.570 -0.123 0.000 2.598 1177 I HA 0.000 4.793 4.170 1.037 0.000 0.284 1177 I C 0.895 176.924 176.117 -0.145 0.000 1.140 1177 I CA 0.287 61.460 61.300 -0.211 0.000 1.420 1177 I CB 0.869 38.574 38.000 -0.492 0.000 1.387 1177 I HN 0.560 nan 8.210 nan 0.000 0.553 1178 S N 3.722 119.365 115.700 -0.096 0.000 2.583 1178 S HA 0.141 5.233 4.470 1.037 0.000 0.239 1178 S C 0.103 174.636 174.600 -0.111 0.000 0.966 1178 S CA -0.441 57.701 58.200 -0.097 0.000 0.973 1178 S CB -0.249 62.960 63.200 0.016 0.000 0.794 1178 S HN 0.786 nan 8.310 nan 0.000 0.463 1179 S N 0.278 115.910 115.700 -0.113 0.000 2.595 1179 S HA 0.665 5.757 4.470 1.037 0.000 0.281 1179 S C -0.529 174.102 174.600 0.052 0.000 1.117 1179 S CA -0.759 57.372 58.200 -0.114 0.000 0.873 1179 S CB 1.833 64.741 63.200 -0.486 0.000 1.108 1179 S HN 0.043 nan 8.310 nan 0.000 0.477 1180 S N 1.929 117.677 115.700 0.079 0.000 2.499 1180 S HA 0.465 5.558 4.470 1.037 0.000 0.279 1180 S C -1.527 173.049 174.600 -0.040 0.000 1.219 1180 S CA -1.892 56.321 58.200 0.022 0.000 1.062 1180 S CB 0.767 63.947 63.200 -0.034 0.000 0.978 1180 S HN 0.642 nan 8.310 nan 0.000 0.489 1181 P HA -0.019 nan 4.420 nan 0.000 0.226 1181 P C 0.318 177.400 177.300 -0.362 0.000 1.153 1181 P CA 0.819 63.697 63.100 -0.370 0.000 0.777 1181 P CB 0.202 31.462 31.700 -0.732 0.000 0.794 1182 D N -0.727 119.386 120.400 -0.477 0.000 2.183 1182 D HA -0.007 5.256 4.640 1.037 0.000 0.205 1182 D C 1.938 177.721 176.300 -0.863 0.000 0.962 1182 D CA 0.817 54.335 54.000 -0.803 0.000 0.849 1182 D CB -0.434 39.608 40.800 -1.263 0.000 0.978 1182 D HN 0.161 nan 8.370 nan 0.000 0.488 1183 M N -0.815 118.433 119.600 -0.586 0.000 2.388 1183 M HA -0.079 5.024 4.480 1.037 0.000 0.265 1183 M C -0.345 175.599 176.300 -0.594 0.000 1.088 1183 M CA 1.122 56.203 55.300 -0.366 0.000 1.134 1183 M CB 0.359 32.882 32.600 -0.128 0.000 1.384 1183 M HN -0.165 nan 8.290 nan 0.000 0.447 1184 Y N 0.265 120.483 120.300 -0.137 0.000 2.592 1184 Y HA 0.440 5.613 4.550 1.039 0.000 0.354 1184 Y C -2.504 173.306 175.900 -0.150 0.000 1.063 1184 Y CA -2.740 55.295 58.100 -0.108 0.000 1.205 1184 Y CB 0.212 38.570 38.460 -0.171 0.000 1.106 1184 Y HN 0.077 nan 8.280 nan 0.000 0.649 1185 P HA 0.119 nan 4.420 nan 0.000 0.271 1185 P C -0.190 177.057 177.300 -0.089 0.000 1.216 1185 P CA 0.376 63.414 63.100 -0.103 0.000 0.776 1185 P CB 0.643 32.283 31.700 -0.100 0.000 0.881 1186 D N -0.606 119.728 120.400 -0.110 0.000 2.911 1186 D HA -0.199 5.063 4.640 1.037 0.000 0.227 1186 D C -0.226 175.878 176.300 -0.326 0.000 1.164 1186 D CA 1.438 55.332 54.000 -0.176 0.000 0.782 1186 D CB -1.384 39.325 40.800 -0.152 0.000 1.094 1186 D HN 0.530 nan 8.370 nan 0.000 0.425 1187 E N -0.841 119.283 120.200 -0.126 0.000 2.340 1187 E HA 0.612 5.584 4.350 1.037 0.000 0.273 1187 E C -1.144 175.442 176.600 -0.023 0.000 0.891 1187 E CA -0.937 55.410 56.400 -0.089 0.000 0.757 1187 E CB 2.675 32.380 29.700 0.008 0.000 1.231 1187 E HN -0.091 nan 8.360 nan 0.000 0.439 1188 V N 3.194 123.088 119.914 -0.034 0.000 2.525 1188 V HA 0.316 5.059 4.120 1.037 0.000 0.299 1188 V C -0.955 175.128 176.094 -0.019 0.000 1.034 1188 V CA -0.636 61.602 62.300 -0.103 0.000 0.863 1188 V CB 1.636 33.377 31.823 -0.136 0.000 0.999 1188 V HN 0.683 nan 8.190 nan 0.000 0.423 1189 H N 4.827 123.794 119.070 -0.172 0.000 2.533 1189 H HA 0.805 5.982 4.556 1.036 0.000 0.343 1189 H C -0.911 174.336 175.328 -0.135 0.000 1.160 1189 H CA -0.914 55.025 56.048 -0.182 0.000 1.218 1189 H CB 2.094 31.844 29.762 -0.020 0.000 1.566 1189 H HN 0.392 nan 8.280 nan 0.000 0.522 1190 L N 1.242 122.454 121.223 -0.018 0.000 2.409 1190 L HA 0.384 5.347 4.340 1.037 0.000 0.262 1190 L C -0.608 176.319 176.870 0.094 0.000 0.992 1190 L CA -0.774 54.059 54.840 -0.011 0.000 0.817 1190 L CB 2.572 44.533 42.059 -0.163 0.000 1.350 1190 L HN 0.605 nan 8.230 nan 0.000 0.411 1191 T N 1.723 116.372 114.554 0.159 0.000 2.842 1191 T HA 0.512 5.485 4.350 1.037 0.000 0.308 1191 T C -0.484 174.298 174.700 0.136 0.000 1.041 1191 T CA -0.388 61.854 62.100 0.236 0.000 0.964 1191 T CB 1.306 70.392 68.868 0.362 0.000 0.972 1191 T HN 0.186 nan 8.240 nan 0.000 0.460 1192 V N 2.921 122.868 119.914 0.055 0.000 2.376 1192 V HA 0.660 5.402 4.120 1.037 0.000 0.287 1192 V C 0.445 176.585 176.094 0.076 0.000 1.015 1192 V CA -1.201 61.116 62.300 0.028 0.000 0.834 1192 V CB 1.293 33.004 31.823 -0.187 0.000 1.001 1192 V HN 1.042 nan 8.190 nan 0.000 0.428 1193 A N 6.411 129.314 122.820 0.139 0.000 2.450 1193 A HA 0.557 5.499 4.320 1.037 0.000 0.255 1193 A C -0.014 177.641 177.584 0.119 0.000 1.096 1193 A CA -0.211 51.903 52.037 0.128 0.000 0.778 1193 A CB -0.018 19.072 19.000 0.150 0.000 1.031 1193 A HN 0.642 nan 8.150 nan 0.000 0.494 1194 I N 4.288 124.917 120.570 0.098 0.000 2.294 1194 I HA 0.085 4.877 4.170 1.037 0.000 0.295 1194 I C 0.154 176.355 176.117 0.140 0.000 1.098 1194 I CA -0.090 61.272 61.300 0.102 0.000 1.277 1194 I CB 0.366 38.410 38.000 0.073 0.000 1.434 1194 I HN 0.262 nan 8.210 nan 0.000 0.498 1195 V N 6.938 126.954 119.914 0.171 0.000 2.439 1195 V HA 0.259 5.001 4.120 1.037 0.000 0.271 1195 V C 0.557 176.803 176.094 0.253 0.000 1.040 1195 V CA 0.119 62.549 62.300 0.217 0.000 1.002 1195 V CB 0.729 32.692 31.823 0.232 0.000 1.000 1195 V HN 0.925 nan 8.190 nan 0.000 0.477 1196 S N 6.057 121.904 115.700 0.244 0.000 2.543 1196 S HA 0.842 5.935 4.470 1.037 0.000 0.271 1196 S C -1.215 173.434 174.600 0.082 0.000 1.148 1196 S CA -0.759 57.491 58.200 0.082 0.000 0.914 1196 S CB 1.903 65.174 63.200 0.118 0.000 1.096 1196 S HN 0.874 nan 8.310 nan 0.000 0.471 1197 Y N -0.831 119.369 120.300 -0.166 0.000 2.689 1197 Y HA 0.736 5.908 4.550 1.037 0.000 0.333 1197 Y C -1.127 174.564 175.900 -0.348 0.000 1.208 1197 Y CA -1.319 56.683 58.100 -0.164 0.000 1.055 1197 Y CB 0.318 38.751 38.460 -0.044 0.000 1.304 1197 Y HN 0.759 nan 8.280 nan 0.000 0.455 1198 H N 0.617 119.689 119.070 0.004 0.000 2.473 1198 H HA 0.525 5.704 4.556 1.039 0.000 0.327 1198 H C 0.256 175.564 175.328 -0.033 0.000 1.105 1198 H CA 0.026 56.010 56.048 -0.106 0.000 1.280 1198 H CB 1.598 31.307 29.762 -0.088 0.000 1.450 1198 H HN 0.905 nan 8.280 nan 0.000 0.492 1199 T N -0.048 114.447 114.554 -0.098 0.000 2.729 1199 T HA 0.144 5.117 4.350 1.037 0.000 0.298 1199 T C 0.452 175.156 174.700 0.006 0.000 1.013 1199 T CA -0.992 61.056 62.100 -0.088 0.000 0.957 1199 T CB 0.350 69.019 68.868 -0.333 0.000 1.130 1199 T HN 0.826 nan 8.240 nan 0.000 0.526 1200 R N 0.728 121.242 120.500 0.024 0.000 3.387 1200 R HA -0.181 4.781 4.340 1.037 0.000 0.254 1200 R C -0.071 176.263 176.300 0.057 0.000 1.006 1200 R CA 0.736 56.864 56.100 0.048 0.000 0.677 1200 R CB -2.251 28.056 30.300 0.012 0.000 1.063 1200 R HN 0.968 nan 8.270 nan 0.000 0.453 1201 D N -1.104 119.348 120.400 0.086 0.000 2.699 1201 D HA -0.193 5.069 4.640 1.037 0.000 0.239 1201 D C 1.083 177.316 176.300 -0.113 0.000 1.136 1201 D CA 2.377 56.339 54.000 -0.064 0.000 0.668 1201 D CB -1.246 39.580 40.800 0.043 0.000 1.060 1201 D HN 0.825 nan 8.370 nan 0.000 0.429 1202 G N -0.294 108.468 108.800 -0.063 0.000 2.253 1202 G HA2 -0.366 4.216 3.960 1.037 0.000 0.251 1202 G HA3 -0.366 4.216 3.960 1.037 0.000 0.251 1202 G C 0.939 175.791 174.900 -0.080 0.000 0.998 1202 G CA 0.695 45.758 45.100 -0.061 0.000 0.621 1202 G HN 0.463 nan 8.290 nan 0.000 0.524 1203 E N 1.002 121.174 120.200 -0.047 0.000 2.086 1203 E HA 0.129 5.102 4.350 1.037 0.000 0.190 1203 E C 2.065 178.648 176.600 -0.028 0.000 0.975 1203 E CA 0.889 57.260 56.400 -0.048 0.000 0.813 1203 E CB -0.611 29.074 29.700 -0.026 0.000 0.768 1203 E HN 0.652 nan 8.360 nan 0.000 0.457 1204 G N 2.819 111.615 108.800 -0.006 0.000 2.631 1204 G HA2 0.173 4.755 3.960 1.037 0.000 0.271 1204 G HA3 0.173 4.755 3.960 1.037 0.000 0.271 1204 G C -2.167 172.760 174.900 0.046 0.000 1.302 1204 G CA -0.705 44.390 45.100 -0.010 0.000 1.002 1204 G HN 0.019 nan 8.290 nan 0.000 0.519 1205 P HA 0.233 nan 4.420 nan 0.000 0.286 1205 P C -0.338 176.879 177.300 -0.138 0.000 1.293 1205 P CA -0.395 62.718 63.100 0.023 0.000 0.770 1205 P CB 0.769 32.468 31.700 -0.002 0.000 1.206 1206 V N 0.398 120.157 119.914 -0.259 0.000 2.607 1206 V HA 0.205 4.948 4.120 1.037 0.000 0.289 1206 V C 0.450 176.287 176.094 -0.429 0.000 1.053 1206 V CA -0.125 61.800 62.300 -0.625 0.000 0.996 1206 V CB -0.210 31.195 31.823 -0.696 0.000 0.995 1206 V HN 0.487 nan 8.190 nan 0.000 0.476 1207 H N 3.498 122.021 119.070 -0.912 0.000 2.589 1207 H HA 0.440 5.617 4.556 1.035 0.000 0.335 1207 H C -0.899 173.924 175.328 -0.841 0.000 1.019 1207 H CA -0.834 54.734 56.048 -0.799 0.000 1.213 1207 H CB 1.296 30.568 29.762 -0.818 0.000 1.472 1207 H HN 0.671 nan 8.280 nan 0.000 0.508 1208 H N 1.863 120.819 119.070 -0.191 0.000 2.473 1208 H HA 0.115 5.292 4.556 1.035 0.000 0.327 1208 H C 0.662 175.999 175.328 0.014 0.000 1.105 1208 H CA -0.576 55.424 56.048 -0.079 0.000 1.280 1208 H CB 1.528 31.269 29.762 -0.035 0.000 1.450 1208 H HN 0.843 nan 8.280 nan 0.000 0.492 1209 G N 1.601 110.536 108.800 0.224 0.000 2.414 1209 G HA2 0.131 4.714 3.960 1.037 0.000 0.236 1209 G HA3 0.131 4.714 3.960 1.037 0.000 0.236 1209 G C 1.114 176.118 174.900 0.173 0.000 1.293 1209 G CA -0.437 44.790 45.100 0.213 0.000 0.869 1209 G HN 0.465 nan 8.290 nan 0.000 0.556 1210 V N 1.959 121.953 119.914 0.133 0.000 2.223 1210 V HA -0.229 4.514 4.120 1.037 0.000 0.244 1210 V C 2.917 179.099 176.094 0.147 0.000 1.045 1210 V CA 2.171 64.533 62.300 0.104 0.000 1.000 1210 V CB -0.850 30.996 31.823 0.039 0.000 0.635 1210 V HN 0.894 nan 8.190 nan 0.000 0.445 1211 C N 0.655 120.046 119.300 0.152 0.000 2.453 1211 C HA -0.116 4.966 4.460 1.037 0.000 0.277 1211 C C 3.405 178.553 174.990 0.262 0.000 1.262 1211 C CA 1.413 60.572 59.018 0.235 0.000 1.718 1211 C CB -0.999 26.889 27.740 0.245 0.000 2.031 1211 C HN 0.799 nan 8.230 nan 0.000 0.480 1212 S N 1.188 117.015 115.700 0.213 0.000 2.368 1212 S HA -0.177 4.915 4.470 1.037 0.000 0.225 1212 S C 1.833 176.490 174.600 0.095 0.000 1.030 1212 S CA 2.045 60.325 58.200 0.133 0.000 0.999 1212 S CB -0.987 62.305 63.200 0.154 0.000 0.844 1212 S HN 0.841 nan 8.310 nan 0.000 0.459 1213 S N -0.207 115.571 115.700 0.130 0.000 2.428 1213 S HA -0.079 5.013 4.470 1.037 0.000 0.230 1213 S C 1.478 176.128 174.600 0.083 0.000 1.014 1213 S CA 0.659 58.901 58.200 0.070 0.000 0.957 1213 S CB -0.941 62.299 63.200 0.067 0.000 0.784 1213 S HN 0.781 nan 8.310 nan 0.000 0.499 1214 W N 2.274 123.552 121.300 -0.037 0.000 2.378 1214 W HA 0.196 5.478 4.660 1.037 0.000 0.313 1214 W C 1.793 178.269 176.519 -0.072 0.000 1.197 1214 W CA 0.861 58.172 57.345 -0.056 0.000 1.304 1214 W CB -0.603 28.834 29.460 -0.039 0.000 1.148 1214 W HN 0.241 nan 8.180 nan 0.000 0.494 1215 L N 1.233 122.388 121.223 -0.113 0.000 2.261 1215 L HA -0.238 4.724 4.340 1.037 0.000 0.216 1215 L C 1.805 178.489 176.870 -0.310 0.000 1.114 1215 L CA 1.574 56.203 54.840 -0.352 0.000 0.777 1215 L CB -0.862 41.058 42.059 -0.231 0.000 0.910 1215 L HN 0.116 nan 8.230 nan 0.000 0.440 1216 N N 0.372 118.953 118.700 -0.198 0.000 2.336 1216 N HA -0.062 5.300 4.740 1.037 0.000 0.189 1216 N C 1.369 176.774 175.510 -0.175 0.000 1.113 1216 N CA 0.218 53.172 53.050 -0.160 0.000 0.858 1216 N CB 0.252 38.685 38.487 -0.091 0.000 0.970 1216 N HN 0.388 nan 8.380 nan 0.000 0.471 1217 R N -0.627 119.728 120.500 -0.241 0.000 2.539 1217 R HA 0.230 5.193 4.340 1.037 0.000 0.342 1217 R C 0.235 176.374 176.300 -0.269 0.000 0.941 1217 R CA -0.299 55.676 56.100 -0.208 0.000 1.146 1217 R CB -0.663 29.548 30.300 -0.147 0.000 1.541 1217 R HN 0.096 nan 8.270 nan 0.000 0.525 1218 I N 0.678 120.981 120.570 -0.445 0.000 2.892 1218 I HA 0.113 4.906 4.170 1.037 0.000 0.287 1218 I C -0.164 175.795 176.117 -0.263 0.000 1.205 1218 I CA -0.357 60.679 61.300 -0.441 0.000 1.409 1218 I CB 0.396 37.950 38.000 -0.742 0.000 1.367 1218 I HN 0.027 nan 8.210 nan 0.000 0.597 1219 Q N 2.909 122.605 119.800 -0.173 0.000 2.241 1219 Q HA 0.405 5.367 4.340 1.037 0.000 0.262 1219 Q C 0.913 176.852 176.000 -0.101 0.000 1.014 1219 Q CA -0.404 55.330 55.803 -0.114 0.000 0.885 1219 Q CB 1.875 30.572 28.738 -0.068 0.000 1.311 1219 Q HN 0.867 nan 8.270 nan 0.000 0.461 1220 A N 1.268 124.042 122.820 -0.077 0.000 2.076 1220 A HA -0.201 4.741 4.320 1.037 0.000 0.220 1220 A C 1.216 178.778 177.584 -0.038 0.000 1.160 1220 A CA 2.109 54.110 52.037 -0.060 0.000 0.653 1220 A CB -0.357 18.616 19.000 -0.045 0.000 0.801 1220 A HN 0.774 nan 8.150 nan 0.000 0.455 1221 D N -0.257 120.127 120.400 -0.027 0.000 2.355 1221 D HA -0.038 5.224 4.640 1.037 0.000 0.218 1221 D C -0.548 175.757 176.300 0.008 0.000 1.004 1221 D CA 0.016 54.012 54.000 -0.007 0.000 0.880 1221 D CB -0.443 40.358 40.800 0.001 0.000 0.911 1221 D HN 0.266 nan 8.370 nan 0.000 0.528 1222 D N 1.081 121.480 120.400 -0.001 0.000 2.390 1222 D HA 0.106 5.368 4.640 1.037 0.000 0.249 1222 D C 0.117 176.449 176.300 0.054 0.000 1.144 1222 D CA -0.246 53.776 54.000 0.037 0.000 0.880 1222 D CB 2.474 43.271 40.800 -0.005 0.000 1.182 1222 D HN -0.115 nan 8.370 nan 0.000 0.451 1223 V N 2.645 122.622 119.914 0.105 0.000 2.686 1223 V HA 0.084 4.827 4.120 1.037 0.000 0.295 1223 V C 0.576 176.797 176.094 0.211 0.000 1.055 1223 V CA -0.395 61.969 62.300 0.107 0.000 1.050 1223 V CB 1.764 33.626 31.823 0.064 0.000 0.984 1223 V HN 0.241 nan 8.190 nan 0.000 0.482 1224 V N 7.118 127.142 119.914 0.185 0.000 2.266 1224 V HA 0.291 5.033 4.120 1.037 0.000 0.271 1224 V C -2.399 173.837 176.094 0.237 0.000 1.032 1224 V CA -1.762 60.718 62.300 0.300 0.000 0.806 1224 V CB 1.480 33.398 31.823 0.158 0.000 1.052 1224 V HN 0.785 nan 8.190 nan 0.000 0.449 1225 P HA 0.274 nan 4.420 nan 0.000 0.266 1225 P C -0.381 177.091 177.300 0.288 0.000 1.215 1225 P CA 0.190 63.416 63.100 0.211 0.000 0.763 1225 P CB 0.278 32.068 31.700 0.151 0.000 0.806 1226 C N 2.986 122.452 119.300 0.277 0.000 3.295 1226 C HA 0.881 5.963 4.460 1.037 0.000 0.341 1226 C C -1.532 173.654 174.990 0.327 0.000 1.418 1226 C CA -1.164 57.990 59.018 0.226 0.000 1.240 1226 C CB 0.680 28.449 27.740 0.048 0.000 1.562 1226 C HN 0.594 nan 8.230 nan 0.000 0.457 1227 F N -1.411 118.563 119.950 0.040 0.000 2.741 1227 F HA 0.836 5.974 4.527 1.019 0.000 0.313 1227 F C -1.436 174.398 175.800 0.057 0.000 1.153 1227 F CA -1.200 56.836 58.000 0.061 0.000 0.931 1227 F CB 0.869 39.917 39.000 0.080 0.000 1.335 1227 F HN 0.550 nan 8.300 nan 0.000 0.460 1228 V N 1.981 121.987 119.914 0.152 0.000 2.472 1228 V HA 0.559 5.302 4.120 1.037 0.000 0.290 1228 V C -0.479 175.736 176.094 0.201 0.000 1.037 1228 V CA -0.684 61.654 62.300 0.063 0.000 0.908 1228 V CB 1.588 33.493 31.823 0.136 0.000 0.985 1228 V HN 0.813 nan 8.190 nan 0.000 0.454 1229 R N 3.038 123.623 120.500 0.142 0.000 2.371 1229 R HA 0.537 5.499 4.340 1.037 0.000 0.312 1229 R C 0.263 176.671 176.300 0.180 0.000 0.980 1229 R CA -0.385 55.862 56.100 0.245 0.000 0.867 1229 R CB 1.153 31.643 30.300 0.316 0.000 1.163 1229 R HN 0.926 nan 8.270 nan 0.000 0.492 1230 G N 1.911 110.809 108.800 0.164 0.000 2.491 1230 G HA2 0.339 4.921 3.960 1.037 0.000 0.238 1230 G HA3 0.339 4.921 3.960 1.037 0.000 0.238 1230 G C -0.407 174.542 174.900 0.082 0.000 1.277 1230 G CA -0.196 44.992 45.100 0.147 0.000 0.851 1230 G HN 0.651 nan 8.290 nan 0.000 0.573 1231 A N 3.934 126.757 122.820 0.006 0.000 2.978 1231 A HA 0.630 5.573 4.320 1.037 0.000 0.341 1231 A C -1.133 176.236 177.584 -0.358 0.000 1.105 1231 A CA -1.094 50.906 52.037 -0.061 0.000 0.819 1231 A CB 1.385 20.355 19.000 -0.050 0.000 1.080 1231 A HN 0.481 nan 8.150 nan 0.000 0.476 1232 P HA -0.143 nan 4.420 nan 0.000 0.225 1232 P C 1.118 178.308 177.300 -0.184 0.000 1.148 1232 P CA 1.639 64.460 63.100 -0.465 0.000 0.779 1232 P CB 0.150 31.770 31.700 -0.134 0.000 0.780 1233 S N -2.504 113.192 115.700 -0.008 0.000 2.558 1233 S HA 0.090 5.182 4.470 1.037 0.000 0.217 1233 S C 0.864 175.649 174.600 0.308 0.000 0.975 1233 S CA -0.197 58.108 58.200 0.175 0.000 0.912 1233 S CB -0.759 62.562 63.200 0.201 0.000 0.776 1233 S HN 0.004 nan 8.310 nan 0.000 0.526 1234 F N 2.282 122.247 119.950 0.027 0.000 2.841 1234 F HA 0.452 5.613 4.527 1.057 0.000 0.358 1234 F C 0.218 176.225 175.800 0.345 0.000 1.261 1234 F CA -1.015 57.101 58.000 0.193 0.000 1.233 1234 F CB 0.263 39.398 39.000 0.225 0.000 1.008 1234 F HN 0.189 nan 8.300 nan 0.000 0.507 1235 H N 0.089 119.240 119.070 0.136 0.000 2.496 1235 H HA 0.440 5.619 4.556 1.039 0.000 0.342 1235 H C -0.015 175.209 175.328 -0.172 0.000 1.170 1235 H CA -1.223 54.843 56.048 0.029 0.000 1.274 1235 H CB 1.680 31.454 29.762 0.021 0.000 1.538 1235 H HN -0.032 nan 8.280 nan 0.000 0.542 1236 L N 2.856 123.863 121.223 -0.361 0.000 2.483 1236 L HA 0.058 5.021 4.340 1.037 0.000 0.275 1236 L C -1.870 174.877 176.870 -0.205 0.000 1.220 1236 L CA -1.679 52.828 54.840 -0.555 0.000 0.833 1236 L CB 0.010 41.633 42.059 -0.727 0.000 1.102 1236 L HN 0.442 nan 8.230 nan 0.000 0.490 1237 P HA 0.083 nan 4.420 nan 0.000 0.268 1237 P C -0.023 177.218 177.300 -0.099 0.000 1.208 1237 P CA -0.168 62.852 63.100 -0.133 0.000 0.777 1237 P CB 0.542 31.989 31.700 -0.421 0.000 0.875 1238 R N 0.556 121.040 120.500 -0.027 0.000 2.115 1238 R HA -0.057 4.905 4.340 1.037 0.000 0.230 1238 R C 0.927 177.202 176.300 -0.042 0.000 1.111 1238 R CA 0.893 56.977 56.100 -0.026 0.000 0.976 1238 R CB -0.305 30.001 30.300 0.010 0.000 0.870 1238 R HN 0.558 nan 8.270 nan 0.000 0.445 1239 N N 0.700 119.375 118.700 -0.043 0.000 2.437 1239 N HA 0.081 5.444 4.740 1.037 0.000 0.243 1239 N C -2.107 173.356 175.510 -0.078 0.000 1.041 1239 N CA -1.628 51.395 53.050 -0.043 0.000 0.940 1239 N CB 1.371 39.850 38.487 -0.013 0.000 1.133 1239 N HN -0.195 nan 8.380 nan 0.000 0.506 1240 P HA -0.143 nan 4.420 nan 0.000 0.216 1240 P C 0.462 177.723 177.300 -0.064 0.000 1.150 1240 P CA 1.082 64.135 63.100 -0.080 0.000 0.837 1240 P CB 0.240 31.903 31.700 -0.062 0.000 0.786 1241 Q N -0.788 118.987 119.800 -0.042 0.000 2.387 1241 Q HA 0.099 5.062 4.340 1.037 0.000 0.211 1241 Q C 0.282 176.272 176.000 -0.016 0.000 0.952 1241 Q CA 0.139 55.927 55.803 -0.026 0.000 0.957 1241 Q CB -0.638 28.092 28.738 -0.014 0.000 1.002 1241 Q HN 0.176 nan 8.270 nan 0.000 0.502 1242 V N 2.982 122.878 119.914 -0.031 0.000 2.667 1242 V HA 0.401 5.143 4.120 1.037 0.000 0.308 1242 V C -2.261 173.826 176.094 -0.012 0.000 1.048 1242 V CA -2.426 59.868 62.300 -0.009 0.000 0.928 1242 V CB 2.419 34.238 31.823 -0.006 0.000 1.004 1242 V HN 0.085 nan 8.190 nan 0.000 0.444 1243 P HA 0.286 nan 4.420 nan 0.000 0.279 1243 P C -1.162 176.190 177.300 0.087 0.000 1.239 1243 P CA -0.268 62.862 63.100 0.051 0.000 0.789 1243 P CB 0.959 32.698 31.700 0.065 0.000 0.933 1244 C N 4.254 123.610 119.300 0.093 0.000 2.408 1244 C HA 0.539 5.621 4.460 1.037 0.000 0.321 1244 C C 0.505 175.597 174.990 0.170 0.000 1.245 1244 C CA -0.482 58.639 59.018 0.172 0.000 1.523 1244 C CB 0.225 28.031 27.740 0.110 0.000 2.178 1244 C HN 0.473 nan 8.230 nan 0.000 0.488 1245 I N 4.374 125.060 120.570 0.194 0.000 2.354 1245 I HA 0.325 5.118 4.170 1.037 0.000 0.286 1245 I C -0.495 175.668 176.117 0.078 0.000 1.007 1245 I CA -0.136 61.233 61.300 0.114 0.000 1.167 1245 I CB 0.776 38.819 38.000 0.071 0.000 1.320 1245 I HN 0.432 nan 8.210 nan 0.000 0.458 1246 L N 7.360 128.530 121.223 -0.087 0.000 2.259 1246 L HA 0.457 5.419 4.340 1.037 0.000 0.288 1246 L C -0.474 176.123 176.870 -0.456 0.000 1.051 1246 L CA -0.718 53.789 54.840 -0.554 0.000 0.824 1246 L CB 0.935 42.350 42.059 -1.073 0.000 1.206 1246 L HN 0.289 nan 8.230 nan 0.000 0.429 1247 V N 2.563 122.411 119.914 -0.110 0.000 2.347 1247 V HA 0.819 5.561 4.120 1.037 0.000 0.280 1247 V C 0.470 176.798 176.094 0.391 0.000 1.021 1247 V CA -0.368 62.004 62.300 0.119 0.000 0.847 1247 V CB 1.381 33.266 31.823 0.104 0.000 0.990 1247 V HN 0.918 nan 8.190 nan 0.000 0.444 1248 G N 6.576 115.599 108.800 0.371 0.000 2.455 1248 G HA2 0.522 5.104 3.960 1.037 0.000 0.298 1248 G HA3 0.522 5.104 3.960 1.037 0.000 0.298 1248 G C -3.450 171.540 174.900 0.150 0.000 1.349 1248 G CA -0.670 44.622 45.100 0.320 0.000 1.220 1248 G HN 0.456 nan 8.290 nan 0.000 0.598 1249 P HA 0.566 nan 4.420 nan 0.000 0.284 1249 P C 1.080 178.264 177.300 -0.194 0.000 1.258 1249 P CA 1.003 63.912 63.100 -0.320 0.000 0.824 1249 P CB 1.933 33.439 31.700 -0.324 0.000 1.038 1250 G N 2.370 111.005 108.800 -0.274 0.000 2.582 1250 G HA2 -0.333 4.249 3.960 1.037 0.000 0.288 1250 G HA3 -0.333 4.249 3.960 1.037 0.000 0.288 1250 G C 0.998 176.055 174.900 0.261 0.000 1.247 1250 G CA 0.982 46.105 45.100 0.039 0.000 0.972 1250 G HN 0.698 nan 8.290 nan 0.000 0.557 1251 T N -1.020 113.673 114.554 0.232 0.000 3.155 1251 T HA 0.275 5.247 4.350 1.037 0.000 0.264 1251 T C 2.201 177.088 174.700 0.311 0.000 1.160 1251 T CA 1.419 63.708 62.100 0.316 0.000 1.075 1251 T CB -0.279 68.791 68.868 0.336 0.000 0.921 1251 T HN 1.778 nan 8.240 nan 0.000 0.533 1252 G N 0.936 109.789 108.800 0.088 0.000 2.708 1252 G HA2 0.071 4.653 3.960 1.037 0.000 0.210 1252 G HA3 0.071 4.653 3.960 1.037 0.000 0.210 1252 G C 1.198 176.036 174.900 -0.104 0.000 1.141 1252 G CA 0.020 44.976 45.100 -0.240 0.000 0.788 1252 G HN 0.618 nan 8.290 nan 0.000 0.531 1253 I N 0.067 120.748 120.570 0.186 0.000 3.030 1253 I HA 0.112 4.904 4.170 1.037 0.000 0.270 1253 I C 2.853 178.994 176.117 0.039 0.000 1.211 1253 I CA 0.710 62.191 61.300 0.301 0.000 1.479 1253 I CB 0.039 38.369 38.000 0.550 0.000 1.105 1253 I HN 0.222 nan 8.210 nan 0.000 0.447 1254 A N 2.781 125.651 122.820 0.084 0.000 1.923 1254 A HA -0.236 4.706 4.320 1.037 0.000 0.222 1254 A C -0.127 177.355 177.584 -0.169 0.000 1.258 1254 A CA 2.673 54.735 52.037 0.042 0.000 0.670 1254 A CB -2.339 16.760 19.000 0.166 0.000 0.834 1254 A HN 0.417 nan 8.150 nan 0.000 0.470 1255 P HA -0.033 nan 4.420 nan 0.000 0.227 1255 P C 0.924 177.878 177.300 -0.577 0.000 1.161 1255 P CA 0.666 63.530 63.100 -0.394 0.000 0.788 1255 P CB -0.213 31.278 31.700 -0.349 0.000 0.822 1256 F N 0.866 120.558 119.950 -0.430 0.000 2.365 1256 F HA 0.045 5.200 4.527 1.046 0.000 0.300 1256 F C 2.629 178.110 175.800 -0.531 0.000 1.090 1256 F CA 0.386 58.139 58.000 -0.411 0.000 1.408 1256 F CB -1.328 37.677 39.000 0.009 0.000 1.060 1256 F HN -0.098 nan 8.300 nan 0.000 0.534 1257 R N 0.402 120.428 120.500 -0.790 0.000 2.235 1257 R HA -0.089 4.873 4.340 1.037 0.000 0.213 1257 R C 2.077 177.784 176.300 -0.988 0.000 1.059 1257 R CA 1.265 56.320 56.100 -1.742 0.000 0.997 1257 R CB -0.091 29.409 30.300 -1.333 0.000 0.884 1257 R HN 0.327 nan 8.270 nan 0.000 0.462 1258 S N -1.051 114.409 115.700 -0.399 0.000 2.470 1258 S HA 0.029 5.121 4.470 1.037 0.000 0.222 1258 S C 1.535 176.196 174.600 0.102 0.000 1.024 1258 S CA -0.156 57.980 58.200 -0.106 0.000 0.931 1258 S CB -0.183 63.035 63.200 0.030 0.000 0.791 1258 S HN 0.127 nan 8.310 nan 0.000 0.513 1259 F N 2.346 122.204 119.950 -0.153 0.000 2.075 1259 F HA 0.071 5.222 4.527 1.039 0.000 0.297 1259 F C 2.325 178.106 175.800 -0.032 0.000 1.113 1259 F CA 0.302 58.256 58.000 -0.077 0.000 1.218 1259 F CB -1.548 37.447 39.000 -0.009 0.000 0.984 1259 F HN 0.539 nan 8.300 nan 0.000 0.472 1260 W N 0.963 122.369 121.300 0.177 0.000 2.381 1260 W HA -0.080 5.205 4.660 1.041 0.000 0.301 1260 W C 1.965 178.494 176.519 0.016 0.000 1.205 1260 W CA 1.069 58.397 57.345 -0.029 0.000 1.285 1260 W CB -1.535 27.933 29.460 0.012 0.000 1.133 1260 W HN 0.097 nan 8.180 nan 0.000 0.521 1261 Q N 0.420 120.316 119.800 0.160 0.000 2.084 1261 Q HA -0.294 4.668 4.340 1.037 0.000 0.202 1261 Q C 2.351 178.455 176.000 0.174 0.000 0.978 1261 Q CA 2.186 58.129 55.803 0.234 0.000 0.844 1261 Q CB -0.387 28.421 28.738 0.117 0.000 0.898 1261 Q HN 0.421 nan 8.270 nan 0.000 0.426 1262 Q N 0.502 120.351 119.800 0.082 0.000 2.050 1262 Q HA -0.149 4.813 4.340 1.037 0.000 0.202 1262 Q C 1.903 177.945 176.000 0.071 0.000 0.980 1262 Q CA 1.414 57.240 55.803 0.038 0.000 0.840 1262 Q CB 0.076 28.789 28.738 -0.040 0.000 0.898 1262 Q HN 0.077 nan 8.270 nan 0.000 0.424 1263 R N 0.104 120.624 120.500 0.033 0.000 2.096 1263 R HA -0.133 4.829 4.340 1.037 0.000 0.235 1263 R C 2.140 178.460 176.300 0.035 0.000 1.127 1263 R CA 1.628 57.723 56.100 -0.007 0.000 0.968 1263 R CB -0.590 29.660 30.300 -0.083 0.000 0.861 1263 R HN 0.590 nan 8.270 nan 0.000 0.440 1264 Q N -0.601 119.254 119.800 0.092 0.000 2.050 1264 Q HA -0.155 4.807 4.340 1.037 0.000 0.202 1264 Q C 1.876 177.939 176.000 0.106 0.000 0.980 1264 Q CA 1.460 57.317 55.803 0.090 0.000 0.840 1264 Q CB -0.203 28.631 28.738 0.161 0.000 0.898 1264 Q HN 0.251 nan 8.270 nan 0.000 0.424 1265 F N 1.491 121.461 119.950 0.034 0.000 2.186 1265 F HA -0.189 4.961 4.527 1.039 0.000 0.299 1265 F C 1.447 177.270 175.800 0.039 0.000 1.090 1265 F CA 1.700 59.747 58.000 0.077 0.000 1.307 1265 F CB -0.114 38.931 39.000 0.074 0.000 1.019 1265 F HN 0.168 nan 8.300 nan 0.000 0.489 1266 D N 0.761 121.307 120.400 0.244 0.000 2.092 1266 D HA -0.233 5.030 4.640 1.037 0.000 0.193 1266 D C 2.465 178.754 176.300 -0.018 0.000 0.994 1266 D CA 2.010 56.080 54.000 0.116 0.000 0.828 1266 D CB -0.572 40.260 40.800 0.055 0.000 0.963 1266 D HN 0.331 nan 8.370 nan 0.000 0.450 1267 I N 0.600 121.141 120.570 -0.048 0.000 2.099 1267 I HA -0.325 4.467 4.170 1.037 0.000 0.239 1267 I C 2.460 178.472 176.117 -0.175 0.000 1.066 1267 I CA 1.394 62.638 61.300 -0.094 0.000 1.324 1267 I CB -0.232 37.718 38.000 -0.083 0.000 1.037 1267 I HN 0.041 nan 8.210 nan 0.000 0.401 1268 Q N -0.682 118.950 119.800 -0.279 0.000 2.167 1268 Q HA -0.167 4.795 4.340 1.037 0.000 0.202 1268 Q C 1.685 177.246 176.000 -0.732 0.000 0.970 1268 Q CA 1.133 56.626 55.803 -0.518 0.000 0.855 1268 Q CB 0.082 28.416 28.738 -0.673 0.000 0.911 1268 Q HN 0.640 nan 8.270 nan 0.000 0.438 1269 H N -1.464 117.374 119.070 -0.388 0.000 3.255 1269 H HA 0.232 5.410 4.556 1.037 0.000 0.256 1269 H C 0.899 176.078 175.328 -0.247 0.000 1.049 1269 H CA 0.198 55.995 56.048 -0.418 0.000 1.202 1269 H CB 0.767 30.031 29.762 -0.830 0.000 1.497 1269 H HN 0.064 nan 8.280 nan 0.000 0.503 1270 K N 0.757 121.115 120.400 -0.069 0.000 2.358 1270 K HA 0.163 5.106 4.320 1.037 0.000 0.197 1270 K C 0.694 177.280 176.600 -0.024 0.000 1.025 1270 K CA 0.339 56.625 56.287 -0.002 0.000 1.104 1270 K CB 1.130 33.665 32.500 0.057 0.000 0.855 1270 K HN 0.278 nan 8.250 nan 0.000 0.531 1271 G N 3.088 111.854 108.800 -0.056 0.000 2.249 1271 G HA2 -0.283 4.299 3.960 1.037 0.000 0.273 1271 G HA3 -0.283 4.299 3.960 1.037 0.000 0.273 1271 G C 0.068 174.944 174.900 -0.041 0.000 1.036 1271 G CA 0.768 45.837 45.100 -0.051 0.000 0.824 1271 G HN 0.311 nan 8.290 nan 0.000 0.504 1272 M N -1.790 117.786 119.600 -0.041 0.000 2.705 1272 M HA 0.677 5.779 4.480 1.037 0.000 0.311 1272 M C -0.343 175.932 176.300 -0.041 0.000 1.214 1272 M CA -1.004 54.275 55.300 -0.034 0.000 0.920 1272 M CB 1.613 34.197 32.600 -0.026 0.000 1.687 1272 M HN -0.045 nan 8.290 nan 0.000 0.481 1273 N N 1.636 120.314 118.700 -0.037 0.000 2.746 1273 N HA 0.432 5.794 4.740 1.037 0.000 0.250 1273 N C -2.761 172.726 175.510 -0.037 0.000 1.146 1273 N CA -0.981 52.046 53.050 -0.038 0.000 0.828 1273 N CB 1.056 39.524 38.487 -0.031 0.000 1.158 1273 N HN 0.470 nan 8.380 nan 0.000 0.519 1274 P HA 0.126 nan 4.420 nan 0.000 0.281 1274 P C -0.019 177.253 177.300 -0.047 0.000 1.249 1274 P CA -0.479 62.590 63.100 -0.052 0.000 0.810 1274 P CB 1.085 32.742 31.700 -0.070 0.000 1.008 1275 C N 5.290 124.566 119.300 -0.039 0.000 2.590 1275 C HA 0.139 5.221 4.460 1.037 0.000 0.411 1275 C C -1.583 173.390 174.990 -0.028 0.000 1.420 1275 C CA -1.070 57.934 59.018 -0.022 0.000 1.643 1275 C CB -1.243 26.489 27.740 -0.012 0.000 2.528 1275 C HN 0.465 nan 8.230 nan 0.000 0.606 1276 P HA 0.101 nan 4.420 nan 0.000 0.269 1276 P C -0.561 176.756 177.300 0.029 0.000 1.215 1276 P CA 0.448 63.540 63.100 -0.013 0.000 0.780 1276 P CB 0.522 32.233 31.700 0.019 0.000 0.898 1277 M N 0.888 120.505 119.600 0.028 0.000 2.613 1277 M HA 0.451 5.553 4.480 1.037 0.000 0.301 1277 M C -0.258 176.295 176.300 0.422 0.000 1.205 1277 M CA -1.136 54.260 55.300 0.160 0.000 0.950 1277 M CB 1.611 34.267 32.600 0.093 0.000 1.585 1277 M HN -0.000 nan 8.290 nan 0.000 0.490 1278 V N 2.086 122.209 119.914 0.349 0.000 2.495 1278 V HA 0.488 5.230 4.120 1.037 0.000 0.298 1278 V C -1.004 175.199 176.094 0.182 0.000 1.031 1278 V CA -0.788 61.687 62.300 0.292 0.000 0.871 1278 V CB 1.787 33.731 31.823 0.201 0.000 0.988 1278 V HN 0.615 nan 8.190 nan 0.000 0.432 1279 L N 6.185 127.401 121.223 -0.013 0.000 2.322 1279 L HA 0.722 5.684 4.340 1.037 0.000 0.281 1279 L C -0.599 176.285 176.870 0.024 0.000 1.014 1279 L CA 0.017 54.771 54.840 -0.143 0.000 0.815 1279 L CB 1.848 43.572 42.059 -0.558 0.000 1.247 1279 L HN 0.436 nan 8.230 nan 0.000 0.421 1280 V N 6.556 126.493 119.914 0.038 0.000 2.284 1280 V HA 0.331 5.073 4.120 1.037 0.000 0.274 1280 V C -0.210 175.967 176.094 0.138 0.000 1.023 1280 V CA -0.360 61.996 62.300 0.093 0.000 0.808 1280 V CB 0.393 32.229 31.823 0.021 0.000 1.035 1280 V HN 0.694 nan 8.190 nan 0.000 0.445 1281 F N 2.997 122.929 119.950 -0.029 0.000 2.411 1281 F HA 0.903 6.051 4.527 1.035 0.000 0.324 1281 F C 0.662 176.383 175.800 -0.132 0.000 1.086 1281 F CA -0.133 57.833 58.000 -0.057 0.000 1.028 1281 F CB 1.925 40.856 39.000 -0.114 0.000 1.284 1281 F HN 0.498 nan 8.300 nan 0.000 0.501 1282 G N 1.046 109.084 108.800 -1.270 0.000 2.760 1282 G HA2 0.534 5.116 3.960 1.037 0.000 0.296 1282 G HA3 0.534 5.116 3.960 1.037 0.000 0.296 1282 G C -1.754 172.506 174.900 -1.066 0.000 1.427 1282 G CA -0.325 44.245 45.100 -0.883 0.000 1.109 1282 G HN 1.167 nan 8.290 nan 0.000 0.553 1283 C N 0.770 119.692 119.300 -0.630 0.000 3.258 1283 C HA 0.719 5.801 4.460 1.037 0.000 0.376 1283 C C 1.195 176.163 174.990 -0.036 0.000 1.869 1283 C CA -0.855 57.976 59.018 -0.311 0.000 1.189 1283 C CB 1.037 28.681 27.740 -0.159 0.000 2.230 1283 C HN 0.837 nan 8.230 nan 0.000 0.432 1284 R N 0.201 120.749 120.500 0.080 0.000 2.105 1284 R HA 0.296 5.259 4.340 1.037 0.000 0.214 1284 R C 0.143 176.577 176.300 0.224 0.000 1.091 1284 R CA 0.776 56.960 56.100 0.141 0.000 1.007 1284 R CB 0.004 30.362 30.300 0.097 0.000 0.912 1284 R HN 0.705 nan 8.270 nan 0.000 0.450 1285 Q N -0.399 119.554 119.800 0.255 0.000 2.268 1285 Q HA 0.138 5.100 4.340 1.037 0.000 0.266 1285 Q C -0.226 175.900 176.000 0.209 0.000 1.006 1285 Q CA -0.203 55.713 55.803 0.188 0.000 0.824 1285 Q CB 2.283 31.074 28.738 0.088 0.000 1.306 1285 Q HN -0.012 nan 8.270 nan 0.000 0.424 1286 S N 3.103 118.777 115.700 -0.043 0.000 2.425 1286 S HA -0.265 4.827 4.470 1.037 0.000 0.256 1286 S C 1.123 175.805 174.600 0.136 0.000 1.101 1286 S CA 2.523 60.701 58.200 -0.036 0.000 1.188 1286 S CB 0.040 63.029 63.200 -0.352 0.000 1.085 1286 S HN 0.683 nan 8.310 nan 0.000 0.439 1287 K N -0.549 119.884 120.400 0.055 0.000 2.498 1287 K HA 0.320 5.262 4.320 1.037 0.000 0.207 1287 K C 0.768 177.411 176.600 0.072 0.000 1.033 1287 K CA -0.209 56.112 56.287 0.058 0.000 1.138 1287 K CB 0.413 32.920 32.500 0.012 0.000 0.860 1287 K HN 0.347 nan 8.250 nan 0.000 0.490 1288 I N 0.241 120.876 120.570 0.110 0.000 3.878 1288 I HA 0.042 4.834 4.170 1.037 0.000 0.273 1288 I C 0.758 176.950 176.117 0.126 0.000 1.165 1288 I CA 0.460 61.818 61.300 0.096 0.000 1.360 1288 I CB -0.044 38.006 38.000 0.083 0.000 1.539 1288 I HN 0.075 nan 8.210 nan 0.000 0.447 1289 D N -0.252 120.256 120.400 0.181 0.000 2.355 1289 D HA -0.007 5.256 4.640 1.037 0.000 0.206 1289 D C 1.025 177.510 176.300 0.308 0.000 1.010 1289 D CA 0.482 54.606 54.000 0.206 0.000 0.875 1289 D CB -0.176 40.733 40.800 0.182 0.000 0.966 1289 D HN 0.272 nan 8.370 nan 0.000 0.512 1290 H N 1.331 120.567 119.070 0.278 0.000 3.629 1290 H HA 0.088 5.267 4.556 1.038 0.000 0.245 1290 H C 0.542 175.919 175.328 0.082 0.000 1.599 1290 H CA -0.500 55.735 56.048 0.312 0.000 1.557 1290 H CB -0.803 29.130 29.762 0.285 0.000 1.823 1290 H HN 0.137 nan 8.280 nan 0.000 0.614 1291 I N 0.246 120.917 120.570 0.170 0.000 2.696 1291 I HA -0.022 4.771 4.170 1.037 0.000 0.284 1291 I C -0.095 175.978 176.117 -0.074 0.000 1.129 1291 I CA -0.757 60.495 61.300 -0.080 0.000 1.410 1291 I CB 0.361 38.218 38.000 -0.238 0.000 1.399 1291 I HN 0.563 nan 8.210 nan 0.000 0.579 1292 Y N 1.892 122.206 120.300 0.024 0.000 4.409 1292 Y HA -0.269 4.902 4.550 1.034 0.000 0.228 1292 Y C 1.875 177.739 175.900 -0.061 0.000 1.108 1292 Y CA 1.154 59.266 58.100 0.020 0.000 1.955 1292 Y CB -2.066 36.497 38.460 0.171 0.000 1.615 1292 Y HN 0.709 nan 8.280 nan 0.000 0.665 1293 R N 0.696 121.221 120.500 0.041 0.000 2.080 1293 R HA -0.253 4.710 4.340 1.037 0.000 0.236 1293 R C 2.050 178.244 176.300 -0.175 0.000 1.137 1293 R CA 2.157 58.150 56.100 -0.178 0.000 0.943 1293 R CB -0.115 29.945 30.300 -0.400 0.000 0.846 1293 R HN 0.370 nan 8.270 nan 0.000 0.431 1294 E N 0.639 120.778 120.200 -0.102 0.000 2.051 1294 E HA -0.218 4.754 4.350 1.037 0.000 0.192 1294 E C 1.740 178.290 176.600 -0.083 0.000 0.991 1294 E CA 1.831 58.180 56.400 -0.085 0.000 0.799 1294 E CB -0.126 29.549 29.700 -0.043 0.000 0.748 1294 E HN 0.450 nan 8.360 nan 0.000 0.449 1295 E N -0.829 119.351 120.200 -0.033 0.000 2.160 1295 E HA -0.199 4.773 4.350 1.037 0.000 0.195 1295 E C 1.668 178.102 176.600 -0.277 0.000 0.991 1295 E CA 1.894 58.275 56.400 -0.032 0.000 0.810 1295 E CB -0.103 29.686 29.700 0.149 0.000 0.742 1295 E HN 0.489 nan 8.360 nan 0.000 0.466 1296 T N -1.203 113.104 114.554 -0.413 0.000 2.942 1296 T HA -0.068 4.905 4.350 1.037 0.000 0.265 1296 T C 1.814 176.305 174.700 -0.349 0.000 1.062 1296 T CA 0.283 61.984 62.100 -0.665 0.000 1.139 1296 T CB -0.105 68.373 68.868 -0.651 0.000 0.883 1296 T HN 0.002 nan 8.240 nan 0.000 0.468 1297 L N 1.686 122.768 121.223 -0.236 0.000 1.976 1297 L HA -0.008 4.954 4.340 1.037 0.000 0.209 1297 L C 2.914 179.720 176.870 -0.107 0.000 1.071 1297 L CA 1.740 56.489 54.840 -0.153 0.000 0.746 1297 L CB -1.182 40.799 42.059 -0.129 0.000 0.890 1297 L HN 0.331 nan 8.230 nan 0.000 0.432 1298 Q N -1.255 118.486 119.800 -0.097 0.000 2.152 1298 Q HA -0.225 4.737 4.340 1.037 0.000 0.206 1298 Q C 2.163 178.129 176.000 -0.055 0.000 0.985 1298 Q CA 1.683 57.451 55.803 -0.058 0.000 0.863 1298 Q CB -0.369 28.350 28.738 -0.032 0.000 0.904 1298 Q HN 0.600 nan 8.270 nan 0.000 0.422 1299 A N 1.365 124.124 122.820 -0.102 0.000 1.969 1299 A HA -0.186 4.756 4.320 1.037 0.000 0.218 1299 A C 2.007 179.596 177.584 0.009 0.000 1.169 1299 A CA 1.410 53.401 52.037 -0.077 0.000 0.635 1299 A CB -0.339 18.511 19.000 -0.249 0.000 0.810 1299 A HN 0.236 nan 8.150 nan 0.000 0.445 1300 K N -0.220 120.211 120.400 0.051 0.000 2.062 1300 K HA -0.142 4.801 4.320 1.037 0.000 0.205 1300 K C 1.319 177.933 176.600 0.022 0.000 1.051 1300 K CA 1.409 57.751 56.287 0.091 0.000 0.941 1300 K CB -0.224 32.301 32.500 0.042 0.000 0.719 1300 K HN 0.359 nan 8.250 nan 0.000 0.440 1301 N N 1.290 119.984 118.700 -0.009 0.000 2.364 1301 N HA -0.103 5.260 4.740 1.037 0.000 0.183 1301 N C 0.699 176.198 175.510 -0.019 0.000 1.022 1301 N CA 0.971 54.011 53.050 -0.017 0.000 0.883 1301 N CB 0.109 38.581 38.487 -0.025 0.000 0.965 1301 N HN 0.292 nan 8.380 nan 0.000 0.438 1302 K N -0.289 120.098 120.400 -0.021 0.000 2.417 1302 K HA 0.165 5.108 4.320 1.037 0.000 0.196 1302 K C 0.840 177.418 176.600 -0.037 0.000 1.023 1302 K CA 0.299 56.567 56.287 -0.032 0.000 1.122 1302 K CB 0.512 32.993 32.500 -0.032 0.000 0.850 1302 K HN 0.167 nan 8.250 nan 0.000 0.521 1303 G N 0.514 109.298 108.800 -0.026 0.000 2.217 1303 G HA2 -0.308 4.274 3.960 1.037 0.000 0.246 1303 G HA3 -0.308 4.274 3.960 1.037 0.000 0.246 1303 G C 1.026 175.894 174.900 -0.053 0.000 0.990 1303 G CA 0.348 45.431 45.100 -0.029 0.000 0.627 1303 G HN 0.112 nan 8.290 nan 0.000 0.522 1304 V N -0.172 119.684 119.914 -0.096 0.000 2.282 1304 V HA 0.070 4.813 4.120 1.037 0.000 0.249 1304 V C 1.450 177.345 176.094 -0.333 0.000 1.057 1304 V CA 2.103 64.257 62.300 -0.243 0.000 1.032 1304 V CB -0.452 31.167 31.823 -0.340 0.000 0.645 1304 V HN 0.354 nan 8.190 nan 0.000 0.447 1305 F N -1.360 118.582 119.950 -0.013 0.000 2.480 1305 F HA 0.476 5.625 4.527 1.035 0.000 0.329 1305 F C 1.169 176.966 175.800 -0.006 0.000 1.091 1305 F CA -0.583 57.413 58.000 -0.007 0.000 0.972 1305 F CB 1.548 40.525 39.000 -0.038 0.000 1.150 1305 F HN -0.304 nan 8.300 nan 0.000 0.467 1306 R N 0.621 121.267 120.500 0.243 0.000 2.066 1306 R HA 0.046 5.008 4.340 1.037 0.000 0.224 1306 R C -0.227 176.140 176.300 0.111 0.000 1.122 1306 R CA 1.160 57.346 56.100 0.143 0.000 0.974 1306 R CB 0.308 30.693 30.300 0.141 0.000 0.871 1306 R HN 0.729 nan 8.270 nan 0.000 0.435 1307 E N -0.743 119.534 120.200 0.128 0.000 2.392 1307 E HA 0.327 5.299 4.350 1.037 0.000 0.279 1307 E C -1.966 174.573 176.600 -0.102 0.000 0.964 1307 E CA -0.536 55.846 56.400 -0.029 0.000 0.777 1307 E CB 1.515 31.175 29.700 -0.066 0.000 1.249 1307 E HN 0.088 nan 8.360 nan 0.000 0.449 1308 L N 3.786 124.830 121.223 -0.298 0.000 2.319 1308 L HA 0.535 5.497 4.340 1.037 0.000 0.281 1308 L C -1.004 175.679 176.870 -0.312 0.000 1.005 1308 L CA -0.943 53.741 54.840 -0.260 0.000 0.828 1308 L CB 0.753 42.657 42.059 -0.258 0.000 1.227 1308 L HN 0.510 nan 8.230 nan 0.000 0.415 1309 Y N 1.093 121.372 120.300 -0.035 0.000 2.361 1309 Y HA 0.608 5.780 4.550 1.037 0.000 0.332 1309 Y C 0.470 176.372 175.900 0.004 0.000 1.101 1309 Y CA -0.671 57.430 58.100 0.001 0.000 1.137 1309 Y CB 2.202 40.662 38.460 -0.001 0.000 1.207 1309 Y HN 0.395 nan 8.280 nan 0.000 0.463 1310 T N 1.961 116.576 114.554 0.102 0.000 2.916 1310 T HA 0.730 5.702 4.350 1.037 0.000 0.298 1310 T C -0.956 173.597 174.700 -0.246 0.000 1.031 1310 T CA -0.840 61.209 62.100 -0.085 0.000 0.993 1310 T CB 1.403 70.211 68.868 -0.100 0.000 1.045 1310 T HN 0.711 nan 8.240 nan 0.000 0.454 1311 A N 2.915 125.528 122.820 -0.345 0.000 2.271 1311 A HA 0.741 5.683 4.320 1.037 0.000 0.317 1311 A C -1.247 176.100 177.584 -0.394 0.000 1.245 1311 A CA -0.598 51.291 52.037 -0.247 0.000 0.857 1311 A CB 0.217 19.165 19.000 -0.087 0.000 1.175 1311 A HN 0.827 nan 8.150 nan 0.000 0.512 1312 Y N 1.682 122.003 120.300 0.035 0.000 2.320 1312 Y HA 0.345 5.519 4.550 1.038 0.000 0.334 1312 Y C 1.497 177.420 175.900 0.039 0.000 1.055 1312 Y CA 0.353 58.473 58.100 0.033 0.000 1.143 1312 Y CB 2.066 40.554 38.460 0.046 0.000 1.193 1312 Y HN 0.771 nan 8.280 nan 0.000 0.477 1313 S N 1.349 117.161 115.700 0.186 0.000 2.506 1313 S HA 0.216 5.309 4.470 1.037 0.000 0.219 1313 S C 0.767 175.430 174.600 0.105 0.000 1.031 1313 S CA -0.291 57.996 58.200 0.146 0.000 0.911 1313 S CB 0.221 63.569 63.200 0.248 0.000 0.812 1313 S HN 0.722 nan 8.310 nan 0.000 0.497 1314 R N 1.059 121.630 120.500 0.117 0.000 2.727 1314 R HA 0.379 5.341 4.340 1.037 0.000 0.410 1314 R C -1.065 175.272 176.300 0.061 0.000 1.101 1314 R CA -0.216 55.930 56.100 0.076 0.000 1.045 1314 R CB 0.554 30.895 30.300 0.069 0.000 1.380 1314 R HN 0.220 nan 8.270 nan 0.000 0.587 1315 E N 2.461 122.699 120.200 0.064 0.000 2.259 1315 E HA 0.117 5.089 4.350 1.037 0.000 0.281 1315 E C -1.345 175.256 176.600 0.002 0.000 1.037 1315 E CA -2.190 54.218 56.400 0.013 0.000 0.854 1315 E CB 1.020 30.713 29.700 -0.011 0.000 1.051 1315 E HN -0.032 nan 8.360 nan 0.000 0.409 1316 P HA -0.109 nan 4.420 nan 0.000 0.218 1316 P C -0.306 176.987 177.300 -0.012 0.000 1.149 1316 P CA 0.945 64.040 63.100 -0.008 0.000 0.817 1316 P CB 0.293 31.987 31.700 -0.011 0.000 0.785 1317 D N -0.232 120.155 120.400 -0.022 0.000 2.378 1317 D HA -0.031 5.232 4.640 1.037 0.000 0.227 1317 D C 1.126 177.419 176.300 -0.012 0.000 1.012 1317 D CA 0.635 54.621 54.000 -0.023 0.000 0.905 1317 D CB -0.063 40.713 40.800 -0.040 0.000 0.895 1317 D HN 0.441 nan 8.370 nan 0.000 0.532 1318 R N -1.180 119.318 120.500 -0.003 0.000 3.061 1318 R HA 0.454 5.417 4.340 1.037 0.000 0.265 1318 R C -2.844 173.460 176.300 0.007 0.000 1.003 1318 R CA -1.334 54.770 56.100 0.006 0.000 0.871 1318 R CB -0.340 29.973 30.300 0.021 0.000 1.458 1318 R HN -0.188 nan 8.270 nan 0.000 0.431 1319 P HA 0.186 nan 4.420 nan 0.000 0.280 1319 P C -1.377 175.913 177.300 -0.017 0.000 1.272 1319 P CA -0.673 62.419 63.100 -0.014 0.000 0.819 1319 P CB 0.933 32.620 31.700 -0.021 0.000 1.122 1320 K N 1.646 122.008 120.400 -0.063 0.000 2.339 1320 K HA 0.153 5.096 4.320 1.037 0.000 0.286 1320 K C -0.331 176.163 176.600 -0.176 0.000 1.050 1320 K CA -0.189 56.031 56.287 -0.112 0.000 0.956 1320 K CB 0.259 32.647 32.500 -0.187 0.000 0.990 1320 K HN 0.188 nan 8.250 nan 0.000 0.475 1321 K N 4.036 124.375 120.400 -0.101 0.000 2.324 1321 K HA 0.303 5.245 4.320 1.037 0.000 0.253 1321 K C -1.081 175.563 176.600 0.073 0.000 0.932 1321 K CA -0.520 55.727 56.287 -0.065 0.000 0.799 1321 K CB 1.471 33.983 32.500 0.021 0.000 1.154 1321 K HN 0.593 nan 8.250 nan 0.000 0.425 1322 Y N 0.117 120.392 120.300 -0.041 0.000 2.509 1322 Y HA 0.058 5.233 4.550 1.042 0.000 0.341 1322 Y C 1.957 177.819 175.900 -0.062 0.000 1.038 1322 Y CA -1.122 56.939 58.100 -0.064 0.000 1.089 1322 Y CB 1.908 40.338 38.460 -0.051 0.000 1.241 1322 Y HN 0.324 nan 8.280 nan 0.000 0.468 1323 V N -0.805 119.151 119.914 0.070 0.000 2.546 1323 V HA -0.317 4.425 4.120 1.037 0.000 0.254 1323 V C 1.272 177.390 176.094 0.039 0.000 1.076 1323 V CA 1.884 64.193 62.300 0.016 0.000 1.087 1323 V CB -0.719 31.090 31.823 -0.024 0.000 0.674 1323 V HN 0.850 nan 8.190 nan 0.000 0.470 1324 Q N 0.892 120.736 119.800 0.074 0.000 2.135 1324 Q HA -0.160 4.803 4.340 1.037 0.000 0.204 1324 Q C 2.051 178.082 176.000 0.051 0.000 0.981 1324 Q CA 2.301 58.145 55.803 0.068 0.000 0.856 1324 Q CB -0.458 28.336 28.738 0.093 0.000 0.902 1324 Q HN 0.764 nan 8.270 nan 0.000 0.425 1325 D N -0.577 119.859 120.400 0.059 0.000 2.091 1325 D HA -0.092 5.170 4.640 1.037 0.000 0.199 1325 D C 1.962 178.274 176.300 0.020 0.000 0.980 1325 D CA 1.051 55.069 54.000 0.032 0.000 0.831 1325 D CB -0.264 40.549 40.800 0.021 0.000 0.987 1325 D HN 0.063 nan 8.370 nan 0.000 0.460 1326 V N 1.588 121.515 119.914 0.023 0.000 2.453 1326 V HA -0.227 4.515 4.120 1.037 0.000 0.252 1326 V C 2.615 178.678 176.094 -0.052 0.000 1.068 1326 V CA 1.172 63.478 62.300 0.011 0.000 1.070 1326 V CB -0.454 31.387 31.823 0.030 0.000 0.664 1326 V HN 0.192 nan 8.190 nan 0.000 0.461 1327 L N -0.901 120.297 121.223 -0.042 0.000 2.156 1327 L HA -0.156 4.806 4.340 1.037 0.000 0.208 1327 L C 2.521 179.374 176.870 -0.028 0.000 1.095 1327 L CA 1.433 56.240 54.840 -0.056 0.000 0.770 1327 L CB -0.275 41.776 42.059 -0.014 0.000 0.914 1327 L HN 0.386 nan 8.230 nan 0.000 0.439 1328 Q N -0.998 118.799 119.800 -0.005 0.000 2.402 1328 Q HA -0.058 4.904 4.340 1.037 0.000 0.206 1328 Q C 1.400 177.400 176.000 0.000 0.000 0.919 1328 Q CA 0.522 56.327 55.803 0.004 0.000 0.923 1328 Q CB 0.471 29.217 28.738 0.013 0.000 1.048 1328 Q HN 0.507 nan 8.270 nan 0.000 0.515 1329 E N 0.001 120.201 120.200 -0.000 0.000 2.389 1329 E HA 0.014 4.986 4.350 1.037 0.000 0.199 1329 E C 0.958 177.569 176.600 0.017 0.000 0.978 1329 E CA 0.355 56.761 56.400 0.011 0.000 0.912 1329 E CB 0.613 30.325 29.700 0.020 0.000 0.907 1329 E HN 0.230 nan 8.360 nan 0.000 0.494 1330 Q N -0.557 119.241 119.800 -0.004 0.000 2.113 1330 Q HA 0.266 5.229 4.340 1.037 0.000 0.225 1330 Q C 1.065 177.020 176.000 -0.076 0.000 0.786 1330 Q CA 0.064 55.875 55.803 0.013 0.000 0.989 1330 Q CB 1.282 30.086 28.738 0.111 0.000 1.174 1330 Q HN 0.117 nan 8.270 nan 0.000 0.470 1331 L N -0.829 120.317 121.223 -0.128 0.000 3.217 1331 L HA 0.385 5.347 4.340 1.037 0.000 0.288 1331 L C 1.831 178.678 176.870 -0.039 0.000 1.202 1331 L CA 0.187 54.940 54.840 -0.145 0.000 1.027 1331 L CB 0.262 42.144 42.059 -0.296 0.000 1.427 1331 L HN 0.099 nan 8.230 nan 0.000 0.600 1332 A N 0.895 123.706 122.820 -0.014 0.000 1.929 1332 A HA -0.317 4.625 4.320 1.037 0.000 0.221 1332 A C 2.203 179.826 177.584 0.065 0.000 1.211 1332 A CA 2.585 54.636 52.037 0.024 0.000 0.657 1332 A CB -0.404 18.601 19.000 0.008 0.000 0.827 1332 A HN 0.490 nan 8.150 nan 0.000 0.462 1333 E N -0.390 119.842 120.200 0.052 0.000 2.028 1333 E HA -0.120 4.853 4.350 1.037 0.000 0.191 1333 E C 2.328 179.004 176.600 0.126 0.000 0.988 1333 E CA 1.371 57.825 56.400 0.090 0.000 0.799 1333 E CB -0.200 29.534 29.700 0.057 0.000 0.755 1333 E HN 0.555 nan 8.360 nan 0.000 0.447 1334 S N 0.412 116.157 115.700 0.076 0.000 2.353 1334 S HA -0.162 4.930 4.470 1.037 0.000 0.222 1334 S C 2.175 176.819 174.600 0.073 0.000 1.035 1334 S CA 1.373 59.614 58.200 0.068 0.000 1.025 1334 S CB -0.436 62.787 63.200 0.039 0.000 0.902 1334 S HN 0.143 nan 8.310 nan 0.000 0.440 1335 V N 0.746 120.698 119.914 0.063 0.000 2.231 1335 V HA -0.269 4.474 4.120 1.037 0.000 0.250 1335 V C 1.953 178.110 176.094 0.105 0.000 1.058 1335 V CA 2.360 64.705 62.300 0.076 0.000 1.022 1335 V CB -0.863 31.006 31.823 0.076 0.000 0.640 1335 V HN 0.557 nan 8.190 nan 0.000 0.445 1336 Y N 0.774 121.095 120.300 0.035 0.000 2.114 1336 Y HA -0.293 4.879 4.550 1.037 0.000 0.282 1336 Y C 2.819 178.737 175.900 0.030 0.000 1.165 1336 Y CA 2.423 60.537 58.100 0.024 0.000 1.148 1336 Y CB -0.279 38.176 38.460 -0.009 0.000 0.972 1336 Y HN 0.037 nan 8.280 nan 0.000 0.504 1337 R N -0.169 120.366 120.500 0.058 0.000 2.115 1337 R HA -0.110 4.853 4.340 1.037 0.000 0.230 1337 R C 2.327 178.604 176.300 -0.039 0.000 1.111 1337 R CA 0.957 57.054 56.100 -0.006 0.000 0.976 1337 R CB -0.418 29.932 30.300 0.083 0.000 0.870 1337 R HN 0.463 nan 8.270 nan 0.000 0.445 1338 A N 0.973 123.796 122.820 0.005 0.000 1.858 1338 A HA -0.121 4.821 4.320 1.037 0.000 0.216 1338 A C 2.114 179.714 177.584 0.028 0.000 1.190 1338 A CA 1.121 53.177 52.037 0.032 0.000 0.617 1338 A CB -0.457 18.578 19.000 0.059 0.000 0.827 1338 A HN 0.284 nan 8.150 nan 0.000 0.443 1339 L N -1.594 119.641 121.223 0.020 0.000 2.162 1339 L HA -0.015 4.948 4.340 1.037 0.000 0.205 1339 L C 2.483 179.417 176.870 0.108 0.000 1.086 1339 L CA 1.473 56.365 54.840 0.087 0.000 0.778 1339 L CB -0.310 41.861 42.059 0.187 0.000 0.928 1339 L HN 0.259 nan 8.230 nan 0.000 0.446 1340 K N 0.296 120.596 120.400 -0.167 0.000 2.186 1340 K HA -0.042 4.900 4.320 1.037 0.000 0.202 1340 K C 1.680 178.194 176.600 -0.143 0.000 1.052 1340 K CA 1.172 57.290 56.287 -0.280 0.000 0.965 1340 K CB 0.310 32.235 32.500 -0.960 0.000 0.746 1340 K HN 0.283 nan 8.250 nan 0.000 0.457 1341 E N -1.172 118.959 120.200 -0.116 0.000 2.354 1341 E HA 0.063 5.035 4.350 1.037 0.000 0.203 1341 E C 1.299 177.900 176.600 0.001 0.000 0.841 1341 E CA 0.058 56.434 56.400 -0.040 0.000 1.046 1341 E CB 0.408 30.090 29.700 -0.031 0.000 1.040 1341 E HN 0.200 nan 8.360 nan 0.000 0.504 1342 Q N 0.240 120.045 119.800 0.008 0.000 2.403 1342 Q HA 0.130 5.093 4.340 1.037 0.000 0.203 1342 Q C 0.678 176.708 176.000 0.051 0.000 0.932 1342 Q CA 0.479 56.300 55.803 0.030 0.000 0.945 1342 Q CB 0.804 29.562 28.738 0.034 0.000 1.045 1342 Q HN 0.332 nan 8.270 nan 0.000 0.511 1343 G N 1.169 110.004 108.800 0.058 0.000 2.225 1343 G HA2 -0.274 4.309 3.960 1.037 0.000 0.267 1343 G HA3 -0.274 4.309 3.960 1.037 0.000 0.267 1343 G C 0.410 175.401 174.900 0.152 0.000 1.024 1343 G CA -0.070 45.080 45.100 0.084 0.000 0.784 1343 G HN 0.518 nan 8.290 nan 0.000 0.507 1344 G N -1.430 107.455 108.800 0.142 0.000 2.653 1344 G HA2 0.536 5.119 3.960 1.037 0.000 0.265 1344 G HA3 0.536 5.119 3.960 1.037 0.000 0.265 1344 G C -0.212 174.881 174.900 0.322 0.000 1.237 1344 G CA -0.384 44.844 45.100 0.214 0.000 0.946 1344 G HN 0.579 nan 8.290 nan 0.000 0.522 1345 H N -1.449 117.662 119.070 0.069 0.000 2.690 1345 H HA 0.487 5.665 4.556 1.036 0.000 0.368 1345 H C -0.884 174.479 175.328 0.058 0.000 1.150 1345 H CA -0.639 55.432 56.048 0.037 0.000 1.174 1345 H CB 2.812 32.673 29.762 0.165 0.000 1.684 1345 H HN 0.408 nan 8.280 nan 0.000 0.538 1346 I N 1.991 122.556 120.570 -0.008 0.000 2.509 1346 I HA 0.307 5.100 4.170 1.037 0.000 0.293 1346 I C -1.643 174.401 176.117 -0.122 0.000 1.020 1346 I CA -0.735 60.546 61.300 -0.033 0.000 1.088 1346 I CB 1.150 39.032 38.000 -0.197 0.000 1.267 1346 I HN 0.449 nan 8.210 nan 0.000 0.430 1347 Y N 5.834 126.157 120.300 0.039 0.000 2.350 1347 Y HA 0.568 5.738 4.550 1.033 0.000 0.338 1347 Y C -0.469 175.630 175.900 0.331 0.000 0.961 1347 Y CA -0.805 57.415 58.100 0.200 0.000 1.100 1347 Y CB 2.051 40.650 38.460 0.231 0.000 1.179 1347 Y HN 0.211 nan 8.280 nan 0.000 0.454 1348 V N 3.177 123.395 119.914 0.507 0.000 2.384 1348 V HA 0.482 5.225 4.120 1.037 0.000 0.287 1348 V C -0.566 175.771 176.094 0.406 0.000 1.020 1348 V CA -0.863 61.680 62.300 0.404 0.000 0.850 1348 V CB 1.500 33.457 31.823 0.223 0.000 0.987 1348 V HN 0.917 nan 8.190 nan 0.000 0.436 1349 C N 4.543 123.997 119.300 0.257 0.000 2.481 1349 C HA 0.994 6.077 4.460 1.037 0.000 0.324 1349 C C 0.434 175.145 174.990 -0.466 0.000 1.170 1349 C CA 0.720 59.629 59.018 -0.180 0.000 1.361 1349 C CB 0.282 27.780 27.740 -0.403 0.000 1.977 1349 C HN 1.517 nan 8.230 nan 0.000 0.459 1350 G N 4.453 112.783 108.800 -0.784 0.000 2.291 1350 G HA2 0.125 4.708 3.960 1.037 0.000 0.249 1350 G HA3 0.125 4.708 3.960 1.037 0.000 0.249 1350 G C -0.909 173.717 174.900 -0.456 0.000 1.340 1350 G CA -0.022 44.501 45.100 -0.962 0.000 1.017 1350 G HN 0.994 nan 8.290 nan 0.000 0.470 1351 D N -0.111 120.128 120.400 -0.269 0.000 2.571 1351 D HA 0.022 5.284 4.640 1.037 0.000 0.231 1351 D C 1.675 177.893 176.300 -0.136 0.000 1.133 1351 D CA 0.687 54.604 54.000 -0.138 0.000 0.862 1351 D CB 1.548 42.263 40.800 -0.143 0.000 1.179 1351 D HN 0.576 nan 8.370 nan 0.000 0.474 1352 V N 3.870 123.700 119.914 -0.139 0.000 2.626 1352 V HA -0.212 4.530 4.120 1.037 0.000 0.252 1352 V C 2.080 178.069 176.094 -0.176 0.000 1.067 1352 V CA 2.335 64.540 62.300 -0.158 0.000 1.081 1352 V CB -0.255 31.367 31.823 -0.335 0.000 0.686 1352 V HN 0.748 nan 8.190 nan 0.000 0.468 1353 T N 0.545 114.979 114.554 -0.200 0.000 2.737 1353 T HA -0.168 4.804 4.350 1.037 0.000 0.265 1353 T C 1.885 176.513 174.700 -0.120 0.000 1.038 1353 T CA 1.859 63.859 62.100 -0.165 0.000 1.144 1353 T CB -0.334 68.434 68.868 -0.166 0.000 0.866 1353 T HN 0.437 nan 8.240 nan 0.000 0.434 1354 M N 2.300 121.818 119.600 -0.138 0.000 2.065 1354 M HA -0.070 5.032 4.480 1.037 0.000 0.259 1354 M C 2.520 178.787 176.300 -0.056 0.000 1.069 1354 M CA 2.317 57.541 55.300 -0.126 0.000 1.110 1354 M CB -1.255 31.238 32.600 -0.177 0.000 1.328 1354 M HN 0.257 nan 8.290 nan 0.000 0.405 1355 A N 0.289 123.083 122.820 -0.042 0.000 1.948 1355 A HA -0.094 4.849 4.320 1.037 0.000 0.220 1355 A C 2.407 180.023 177.584 0.053 0.000 1.177 1355 A CA 2.694 54.750 52.037 0.031 0.000 0.636 1355 A CB -1.285 17.742 19.000 0.045 0.000 0.815 1355 A HN 0.738 nan 8.150 nan 0.000 0.449 1356 A N -0.492 122.329 122.820 0.001 0.000 1.930 1356 A HA -0.138 4.804 4.320 1.037 0.000 0.217 1356 A C 1.796 179.386 177.584 0.010 0.000 1.175 1356 A CA 1.700 53.734 52.037 -0.005 0.000 0.627 1356 A CB -0.436 18.530 19.000 -0.057 0.000 0.815 1356 A HN 0.482 nan 8.150 nan 0.000 0.443 1357 D N -0.258 120.145 120.400 0.005 0.000 2.117 1357 D HA -0.080 5.182 4.640 1.037 0.000 0.198 1357 D C 2.004 178.334 176.300 0.050 0.000 0.982 1357 D CA 1.276 55.289 54.000 0.022 0.000 0.828 1357 D CB -0.258 40.554 40.800 0.020 0.000 0.967 1357 D HN 0.204 nan 8.370 nan 0.000 0.464 1358 V N 1.279 121.231 119.914 0.064 0.000 2.594 1358 V HA -0.184 4.559 4.120 1.037 0.000 0.253 1358 V C 2.362 178.544 176.094 0.148 0.000 1.069 1358 V CA 0.827 63.185 62.300 0.097 0.000 1.082 1358 V CB -0.270 31.615 31.823 0.104 0.000 0.680 1358 V HN 0.121 nan 8.190 nan 0.000 0.469 1359 L N -0.548 120.764 121.223 0.148 0.000 2.313 1359 L HA -0.031 4.931 4.340 1.037 0.000 0.214 1359 L C 2.209 179.130 176.870 0.085 0.000 1.119 1359 L CA 1.742 56.669 54.840 0.144 0.000 0.809 1359 L CB -0.396 41.703 42.059 0.067 0.000 0.933 1359 L HN 0.180 nan 8.230 nan 0.000 0.449 1360 K N -0.772 119.667 120.400 0.065 0.000 2.128 1360 K HA 0.146 5.089 4.320 1.037 0.000 0.202 1360 K C 2.098 178.734 176.600 0.059 0.000 1.050 1360 K CA 0.839 57.154 56.287 0.047 0.000 0.966 1360 K CB -0.204 32.313 32.500 0.029 0.000 0.759 1360 K HN 0.349 nan 8.250 nan 0.000 0.454 1361 A N 1.469 124.329 122.820 0.066 0.000 1.978 1361 A HA -0.133 4.809 4.320 1.037 0.000 0.220 1361 A C 2.024 179.656 177.584 0.080 0.000 1.170 1361 A CA 1.323 53.398 52.037 0.063 0.000 0.636 1361 A CB -0.548 18.488 19.000 0.060 0.000 0.810 1361 A HN 0.176 nan 8.150 nan 0.000 0.448 1362 I N -1.437 119.201 120.570 0.113 0.000 2.584 1362 I HA -0.164 4.629 4.170 1.037 0.000 0.255 1362 I C 2.646 178.849 176.117 0.144 0.000 1.145 1362 I CA 0.999 62.388 61.300 0.148 0.000 1.462 1362 I CB -0.209 37.926 38.000 0.225 0.000 1.102 1362 I HN 0.435 nan 8.210 nan 0.000 0.433 1363 Q N 1.123 120.992 119.800 0.114 0.000 2.167 1363 Q HA -0.174 4.788 4.340 1.037 0.000 0.202 1363 Q C 2.304 178.349 176.000 0.075 0.000 0.970 1363 Q CA 1.357 57.217 55.803 0.095 0.000 0.855 1363 Q CB 0.183 28.957 28.738 0.060 0.000 0.911 1363 Q HN 0.455 nan 8.270 nan 0.000 0.438 1364 R N -0.044 120.491 120.500 0.060 0.000 2.055 1364 R HA -0.049 4.914 4.340 1.037 0.000 0.228 1364 R C 2.371 178.694 176.300 0.037 0.000 1.143 1364 R CA 1.394 57.516 56.100 0.038 0.000 0.945 1364 R CB -0.375 29.942 30.300 0.029 0.000 0.841 1364 R HN 0.258 nan 8.270 nan 0.000 0.429 1365 I N 0.786 121.389 120.570 0.054 0.000 2.248 1365 I HA -0.327 4.465 4.170 1.037 0.000 0.248 1365 I C 2.261 178.420 176.117 0.070 0.000 1.107 1365 I CA 1.154 62.487 61.300 0.056 0.000 1.373 1365 I CB -0.223 37.828 38.000 0.085 0.000 1.055 1365 I HN 0.213 nan 8.210 nan 0.000 0.418 1366 M N -0.352 119.316 119.600 0.113 0.000 2.200 1366 M HA -0.108 4.995 4.480 1.037 0.000 0.265 1366 M C 2.347 178.669 176.300 0.036 0.000 1.066 1366 M CA 1.721 57.101 55.300 0.133 0.000 1.127 1366 M CB -1.470 31.229 32.600 0.164 0.000 1.379 1366 M HN 0.199 nan 8.290 nan 0.000 0.420 1367 T N 0.372 114.939 114.554 0.021 0.000 2.643 1367 T HA -0.095 4.877 4.350 1.037 0.000 0.256 1367 T C 1.631 176.303 174.700 -0.047 0.000 1.061 1367 T CA 0.940 63.035 62.100 -0.009 0.000 1.163 1367 T CB -0.145 68.725 68.868 0.003 0.000 0.865 1367 T HN 0.285 nan 8.240 nan 0.000 0.407 1368 Q N 0.775 120.550 119.800 -0.042 0.000 2.547 1368 Q HA 0.050 5.012 4.340 1.037 0.000 0.217 1368 Q C 0.924 176.856 176.000 -0.113 0.000 0.978 1368 Q CA 0.771 56.537 55.803 -0.063 0.000 0.962 1368 Q CB 0.015 28.729 28.738 -0.040 0.000 0.990 1368 Q HN 0.556 nan 8.270 nan 0.000 0.538 1369 Q N -1.745 117.947 119.800 -0.181 0.000 2.063 1369 Q HA 0.294 5.256 4.340 1.037 0.000 0.245 1369 Q C 0.379 176.014 176.000 -0.609 0.000 0.828 1369 Q CA 0.112 55.704 55.803 -0.352 0.000 1.089 1369 Q CB 1.047 29.574 28.738 -0.352 0.000 1.232 1369 Q HN 0.245 nan 8.270 nan 0.000 0.445 1370 G N 0.753 109.348 108.800 -0.342 0.000 4.211 1370 G HA2 -0.022 4.560 3.960 1.037 0.000 0.192 1370 G HA3 -0.022 4.560 3.960 1.037 0.000 0.192 1370 G C -0.551 174.277 174.900 -0.120 0.000 0.951 1370 G CA -0.054 44.883 45.100 -0.271 0.000 0.804 1370 G HN 0.151 nan 8.290 nan 0.000 0.489 1371 K N 0.316 120.654 120.400 -0.104 0.000 5.349 1371 K HA -0.139 4.804 4.320 1.037 0.000 0.360 1371 K C -1.233 175.343 176.600 -0.041 0.000 0.960 1371 K CA 0.614 56.864 56.287 -0.061 0.000 1.134 1371 K CB -1.628 30.840 32.500 -0.054 0.000 1.782 1371 K HN 0.364 nan 8.250 nan 0.000 0.408 1372 L N 2.676 123.881 121.223 -0.030 0.000 2.482 1372 L HA 0.425 5.388 4.340 1.037 0.000 0.263 1372 L C 0.410 177.277 176.870 -0.005 0.000 0.957 1372 L CA -0.798 54.034 54.840 -0.013 0.000 0.836 1372 L CB 2.230 44.282 42.059 -0.010 0.000 1.324 1372 L HN 0.563 nan 8.230 nan 0.000 0.406 1373 S N -0.152 115.549 115.700 0.001 0.000 2.640 1373 S HA 0.192 5.284 4.470 1.037 0.000 0.262 1373 S C 0.697 175.304 174.600 0.011 0.000 1.232 1373 S CA -0.632 57.570 58.200 0.003 0.000 0.988 1373 S CB 0.612 63.813 63.200 0.002 0.000 1.034 1373 S HN 0.708 nan 8.310 nan 0.000 0.569 1374 E N 0.158 120.364 120.200 0.010 0.000 2.501 1374 E HA -0.152 4.820 4.350 1.037 0.000 0.203 1374 E C 1.541 178.151 176.600 0.016 0.000 1.072 1374 E CA 0.686 57.094 56.400 0.014 0.000 0.885 1374 E CB -0.051 29.653 29.700 0.007 0.000 0.813 1374 E HN 0.758 nan 8.360 nan 0.000 0.556 1375 E N 0.926 121.136 120.200 0.016 0.000 2.034 1375 E HA -0.129 4.844 4.350 1.037 0.000 0.192 1375 E C 1.342 177.963 176.600 0.035 0.000 0.963 1375 E CA 0.479 56.889 56.400 0.018 0.000 0.831 1375 E CB 0.190 29.897 29.700 0.011 0.000 0.801 1375 E HN 0.003 nan 8.360 nan 0.000 0.463 1376 D N 0.650 121.073 120.400 0.037 0.000 2.190 1376 D HA -0.166 5.097 4.640 1.037 0.000 0.200 1376 D C 1.700 178.061 176.300 0.103 0.000 0.992 1376 D CA 1.288 55.324 54.000 0.060 0.000 0.854 1376 D CB -0.220 40.600 40.800 0.034 0.000 0.936 1376 D HN 0.308 nan 8.370 nan 0.000 0.462 1377 A N 0.556 123.425 122.820 0.082 0.000 1.897 1377 A HA 0.045 4.987 4.320 1.037 0.000 0.215 1377 A C 2.384 180.049 177.584 0.135 0.000 1.181 1377 A CA 1.855 53.964 52.037 0.119 0.000 0.620 1377 A CB -0.887 18.160 19.000 0.077 0.000 0.821 1377 A HN 0.300 nan 8.150 nan 0.000 0.443 1378 G N -0.778 108.066 108.800 0.074 0.000 2.402 1378 G HA2 -0.046 4.537 3.960 1.037 0.000 0.216 1378 G HA3 -0.046 4.537 3.960 1.037 0.000 0.216 1378 G C 1.428 176.344 174.900 0.027 0.000 1.162 1378 G CA 1.156 46.277 45.100 0.036 0.000 0.777 1378 G HN 0.298 nan 8.290 nan 0.000 0.539 1379 V N 0.156 120.100 119.914 0.050 0.000 2.667 1379 V HA -0.008 4.734 4.120 1.037 0.000 0.252 1379 V C 2.187 178.321 176.094 0.066 0.000 1.065 1379 V CA 1.259 63.581 62.300 0.036 0.000 1.083 1379 V CB -0.431 31.417 31.823 0.042 0.000 0.692 1379 V HN 0.428 nan 8.190 nan 0.000 0.468 1380 F N 0.312 120.251 119.950 -0.019 0.000 2.163 1380 F HA -0.118 5.032 4.527 1.039 0.000 0.297 1380 F C 2.080 177.863 175.800 -0.028 0.000 1.094 1380 F CA 1.611 59.602 58.000 -0.014 0.000 1.290 1380 F CB 0.041 39.047 39.000 0.009 0.000 1.017 1380 F HN 0.043 nan 8.300 nan 0.000 0.483 1381 I N -0.720 119.817 120.570 -0.055 0.000 2.113 1381 I HA -0.324 4.468 4.170 1.037 0.000 0.238 1381 I C 2.682 178.647 176.117 -0.253 0.000 1.070 1381 I CA 1.554 62.745 61.300 -0.181 0.000 1.332 1381 I CB -0.915 37.008 38.000 -0.128 0.000 1.044 1381 I HN 0.103 nan 8.210 nan 0.000 0.402 1382 S N 0.340 115.936 115.700 -0.174 0.000 2.423 1382 S HA -0.189 4.904 4.470 1.037 0.000 0.238 1382 S C 2.137 176.636 174.600 -0.168 0.000 1.028 1382 S CA 1.345 59.449 58.200 -0.161 0.000 1.000 1382 S CB -0.189 62.947 63.200 -0.107 0.000 0.797 1382 S HN 0.253 nan 8.310 nan 0.000 0.487 1383 R N 0.501 120.880 120.500 -0.202 0.000 2.066 1383 R HA 0.174 5.137 4.340 1.037 0.000 0.224 1383 R C 2.347 178.488 176.300 -0.265 0.000 1.122 1383 R CA 0.702 56.678 56.100 -0.208 0.000 0.974 1383 R CB -1.232 28.940 30.300 -0.213 0.000 0.871 1383 R HN 0.427 nan 8.270 nan 0.000 0.435 1384 L N 0.763 121.757 121.223 -0.382 0.000 1.990 1384 L HA -0.234 4.729 4.340 1.037 0.000 0.213 1384 L C 2.782 179.509 176.870 -0.238 0.000 1.072 1384 L CA 1.650 56.283 54.840 -0.344 0.000 0.755 1384 L CB -0.483 41.387 42.059 -0.315 0.000 0.889 1384 L HN 0.167 nan 8.230 nan 0.000 0.432 1385 R N -0.058 120.327 120.500 -0.191 0.000 2.094 1385 R HA -0.208 4.754 4.340 1.037 0.000 0.239 1385 R C 1.928 178.154 176.300 -0.122 0.000 1.137 1385 R CA 2.035 58.051 56.100 -0.140 0.000 0.943 1385 R CB -0.778 29.437 30.300 -0.142 0.000 0.850 1385 R HN 0.369 nan 8.270 nan 0.000 0.433 1386 D N 0.753 121.083 120.400 -0.118 0.000 2.133 1386 D HA -0.156 5.106 4.640 1.037 0.000 0.192 1386 D C 0.914 177.166 176.300 -0.080 0.000 1.001 1386 D CA 1.433 55.383 54.000 -0.083 0.000 0.844 1386 D CB -0.261 40.489 40.800 -0.083 0.000 0.944 1386 D HN 0.202 nan 8.370 nan 0.000 0.447 1387 D N -0.360 119.969 120.400 -0.119 0.000 2.325 1387 D HA 0.004 5.267 4.640 1.037 0.000 0.234 1387 D C 0.078 176.299 176.300 -0.133 0.000 1.122 1387 D CA -0.004 53.930 54.000 -0.109 0.000 0.850 1387 D CB -0.433 40.294 40.800 -0.122 0.000 0.921 1387 D HN 0.099 nan 8.370 nan 0.000 0.513 1388 N N 0.890 119.503 118.700 -0.145 0.000 2.725 1388 N HA -0.247 5.116 4.740 1.037 0.000 0.251 1388 N C 0.158 175.406 175.510 -0.437 0.000 1.031 1388 N CA 0.413 53.367 53.050 -0.161 0.000 0.720 1388 N CB -0.810 37.702 38.487 0.042 0.000 0.930 1388 N HN 0.245 nan 8.380 nan 0.000 0.543 1389 R N -0.838 119.279 120.500 -0.638 0.000 2.476 1389 R HA 0.146 5.109 4.340 1.037 0.000 0.276 1389 R C -0.562 175.242 176.300 -0.827 0.000 0.941 1389 R CA -0.058 55.463 56.100 -0.965 0.000 1.088 1389 R CB 0.612 30.477 30.300 -0.724 0.000 1.216 1389 R HN 0.336 nan 8.270 nan 0.000 0.533 1390 Y N 1.951 121.761 120.300 -0.815 0.000 2.376 1390 Y HA 0.311 5.481 4.550 1.033 0.000 0.326 1390 Y C -0.923 174.645 175.900 -0.554 0.000 0.970 1390 Y CA -1.178 56.605 58.100 -0.528 0.000 1.248 1390 Y CB 0.412 38.700 38.460 -0.286 0.000 1.117 1390 Y HN 0.000 nan 8.280 nan 0.000 0.476 1391 H N 4.802 123.734 119.070 -0.231 0.000 2.472 1391 H HA 0.475 5.652 4.556 1.035 0.000 0.338 1391 H C -0.848 174.686 175.328 0.344 0.000 1.133 1391 H CA -0.781 55.275 56.048 0.012 0.000 1.216 1391 H CB 1.816 31.329 29.762 -0.415 0.000 1.497 1391 H HN 0.659 nan 8.280 nan 0.000 0.500 1392 E N 1.632 122.199 120.200 0.612 0.000 2.263 1392 E HA 0.142 5.114 4.350 1.037 0.000 0.268 1392 E C -1.272 175.470 176.600 0.237 0.000 0.884 1392 E CA -0.650 56.026 56.400 0.461 0.000 0.766 1392 E CB 2.468 32.382 29.700 0.356 0.000 1.196 1392 E HN 0.449 nan 8.360 nan 0.000 0.416 1393 D N 3.424 123.772 120.400 -0.087 0.000 2.454 1393 D HA 0.215 5.477 4.640 1.037 0.000 0.247 1393 D C -0.782 175.464 176.300 -0.091 0.000 1.129 1393 D CA -0.508 53.315 54.000 -0.296 0.000 0.877 1393 D CB 0.554 40.780 40.800 -0.956 0.000 1.082 1393 D HN 0.232 nan 8.370 nan 0.000 0.537 1394 I N 5.046 125.640 120.570 0.041 0.000 2.396 1394 I HA 0.112 4.904 4.170 1.037 0.000 0.289 1394 I C 1.064 177.329 176.117 0.246 0.000 1.056 1394 I CA -0.073 61.288 61.300 0.102 0.000 1.365 1394 I CB 0.281 38.366 38.000 0.142 0.000 1.407 1394 I HN 0.532 nan 8.210 nan 0.000 0.509 1395 F N 3.764 123.682 119.950 -0.052 0.000 2.710 1395 F HA 0.194 5.344 4.527 1.039 0.000 0.298 1395 F C 1.637 177.431 175.800 -0.010 0.000 1.137 1395 F CA 0.369 58.331 58.000 -0.063 0.000 1.444 1395 F CB 0.444 39.409 39.000 -0.060 0.000 1.111 1395 F HN 0.766 nan 8.300 nan 0.000 0.580 1396 G N 0.430 109.371 108.800 0.236 0.000 2.472 1396 G HA2 -0.209 4.373 3.960 1.037 0.000 0.205 1396 G HA3 -0.209 4.373 3.960 1.037 0.000 0.205 1396 G C -1.032 173.906 174.900 0.065 0.000 1.270 1396 G CA -0.782 44.468 45.100 0.251 0.000 0.974 1396 G HN -0.128 nan 8.290 nan 0.000 0.542 1397 V N 1.880 121.803 119.914 0.016 0.000 2.353 1397 V HA 0.511 5.253 4.120 1.037 0.000 0.264 1397 V C 1.414 177.494 176.094 -0.023 0.000 1.049 1397 V CA 1.186 63.431 62.300 -0.092 0.000 0.896 1397 V CB 0.399 32.135 31.823 -0.146 0.000 1.025 1397 V HN 1.479 nan 8.190 nan 0.000 0.475 1398 T N 1.725 116.267 114.554 -0.019 0.000 2.954 1398 T HA 0.381 5.353 4.350 1.037 0.000 0.252 1398 T C 0.331 175.022 174.700 -0.014 0.000 0.983 1398 T CA -0.083 62.027 62.100 0.017 0.000 0.941 1398 T CB 0.155 69.080 68.868 0.094 0.000 1.141 1398 T HN 0.261 nan 8.240 nan 0.000 0.500 1399 L N 1.941 123.129 121.223 -0.058 0.000 2.325 1399 L HA 0.572 5.534 4.340 1.037 0.000 0.279 1399 L C 0.356 177.185 176.870 -0.068 0.000 1.054 1399 L CA -1.327 53.469 54.840 -0.072 0.000 0.804 1399 L CB 0.736 42.717 42.059 -0.131 0.000 1.200 1399 L HN 0.096 nan 8.230 nan 0.000 0.436 1400 R N 0.978 121.455 120.500 -0.039 0.000 3.301 1400 R HA -0.204 4.758 4.340 1.037 0.000 0.249 1400 R C 0.949 177.230 176.300 -0.032 0.000 0.964 1400 R CA 0.612 56.702 56.100 -0.017 0.000 0.653 1400 R CB -2.045 28.246 30.300 -0.015 0.000 1.043 1400 R HN 0.875 nan 8.270 nan 0.000 0.454 1401 T N -0.270 114.261 114.554 -0.037 0.000 2.635 1401 T HA -0.254 4.718 4.350 1.037 0.000 0.267 1401 T C 1.447 176.096 174.700 -0.085 0.000 1.040 1401 T CA 1.927 63.982 62.100 -0.075 0.000 1.156 1401 T CB -0.288 68.530 68.868 -0.084 0.000 0.863 1401 T HN 0.528 nan 8.240 nan 0.000 0.430 1402 Y N 1.741 121.956 120.300 -0.140 0.000 2.070 1402 Y HA -0.204 4.968 4.550 1.036 0.000 0.280 1402 Y C 2.719 178.540 175.900 -0.132 0.000 1.148 1402 Y CA 2.181 60.200 58.100 -0.136 0.000 1.125 1402 Y CB -0.239 38.166 38.460 -0.092 0.000 0.975 1402 Y HN 0.341 nan 8.280 nan 0.000 0.492 1403 E N -0.826 119.431 120.200 0.095 0.000 2.110 1403 E HA -0.165 4.808 4.350 1.037 0.000 0.193 1403 E C 1.984 178.525 176.600 -0.099 0.000 0.988 1403 E CA 1.602 58.011 56.400 0.015 0.000 0.804 1403 E CB -0.256 29.476 29.700 0.054 0.000 0.745 1403 E HN 0.370 nan 8.360 nan 0.000 0.458 1404 V N 0.713 120.556 119.914 -0.118 0.000 2.323 1404 V HA -0.187 4.556 4.120 1.037 0.000 0.244 1404 V C 2.434 178.391 176.094 -0.229 0.000 1.041 1404 V CA 2.064 64.271 62.300 -0.156 0.000 1.025 1404 V CB -0.604 31.128 31.823 -0.151 0.000 0.656 1404 V HN 0.365 nan 8.190 nan 0.000 0.451 1405 T N -0.014 114.361 114.554 -0.297 0.000 2.833 1405 T HA -0.156 4.816 4.350 1.037 0.000 0.269 1405 T C 1.906 176.319 174.700 -0.479 0.000 1.054 1405 T CA 1.502 63.344 62.100 -0.429 0.000 1.135 1405 T CB -0.329 68.207 68.868 -0.554 0.000 0.869 1405 T HN 0.348 nan 8.240 nan 0.000 0.466 1406 N N 1.000 119.431 118.700 -0.447 0.000 2.080 1406 N HA -0.025 5.338 4.740 1.037 0.000 0.189 1406 N C 2.007 177.362 175.510 -0.259 0.000 1.036 1406 N CA 0.897 53.705 53.050 -0.402 0.000 0.846 1406 N CB -0.284 37.966 38.487 -0.395 0.000 1.015 1406 N HN 0.245 nan 8.380 nan 0.000 0.423 1407 R N 0.788 121.169 120.500 -0.198 0.000 2.080 1407 R HA -0.109 4.853 4.340 1.037 0.000 0.236 1407 R C 2.175 178.385 176.300 -0.151 0.000 1.137 1407 R CA 1.216 57.231 56.100 -0.142 0.000 0.943 1407 R CB -0.620 29.612 30.300 -0.114 0.000 0.846 1407 R HN 0.236 nan 8.270 nan 0.000 0.431 1408 L N 0.186 121.299 121.223 -0.183 0.000 2.005 1408 L HA -0.142 4.820 4.340 1.037 0.000 0.207 1408 L C 2.968 179.729 176.870 -0.181 0.000 1.072 1408 L CA 1.361 56.094 54.840 -0.179 0.000 0.744 1408 L CB -0.576 41.363 42.059 -0.201 0.000 0.895 1408 L HN 0.213 nan 8.230 nan 0.000 0.433 1409 R N -0.118 120.235 120.500 -0.245 0.000 2.154 1409 R HA -0.211 4.751 4.340 1.037 0.000 0.236 1409 R C 2.436 178.658 176.300 -0.130 0.000 1.121 1409 R CA 2.270 58.230 56.100 -0.233 0.000 0.915 1409 R CB -0.630 29.437 30.300 -0.389 0.000 0.856 1409 R HN 0.336 nan 8.270 nan 0.000 0.431 1410 S N 0.443 116.065 115.700 -0.131 0.000 2.462 1410 S HA -0.253 4.839 4.470 1.037 0.000 0.219 1410 S C 1.699 176.263 174.600 -0.059 0.000 1.048 1410 S CA 1.431 59.587 58.200 -0.075 0.000 1.119 1410 S CB -0.623 62.532 63.200 -0.076 0.000 1.100 1410 S HN 0.462 nan 8.310 nan 0.000 0.411 1411 E N 0.852 121.010 120.200 -0.069 0.000 2.395 1411 E HA -0.269 4.703 4.350 1.037 0.000 0.214 1411 E C 1.345 177.913 176.600 -0.054 0.000 1.076 1411 E CA 1.497 57.862 56.400 -0.059 0.000 0.855 1411 E CB -0.160 29.497 29.700 -0.073 0.000 0.745 1411 E HN 0.551 nan 8.360 nan 0.000 0.485 1412 S N -0.874 114.790 115.700 -0.060 0.000 2.593 1412 S HA 0.228 5.321 4.470 1.037 0.000 0.236 1412 S C 0.426 175.019 174.600 -0.012 0.000 0.991 1412 S CA -0.722 57.448 58.200 -0.051 0.000 0.963 1412 S CB 0.105 63.251 63.200 -0.091 0.000 0.865 1412 S HN 0.354 nan 8.310 nan 0.000 0.488 1413 I N 0.000 120.571 120.570 0.002 0.000 2.984 1413 I HA 0.000 4.792 4.170 1.037 0.000 0.288 1413 I CA 0.000 61.320 61.300 0.033 0.000 1.566 1413 I CB 0.000 38.030 38.000 0.050 0.000 1.214 1413 I HN 0.000 nan 8.210 nan 0.000 0.494