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 1ps9_1_A DATA FIRST_RESID 1 DATA SEQUENCE SYPSLFAPLD LGFTTLKNRV LMGSMHTGLE EYPDGAERLA AFYAERARHG DATA SEQUENCE VALIVSGGIA PDLTGVGMEG GAMLNDASQI PHHRTITEAV HQEGGKIALQ DATA SEQUENCE ILHTGRYSYQ PHLVAPSALQ APINRFVPHE LSHEEILQLI DNFARCAQLA DATA SEQUENCE REAGYDGVEV MGSEGYLINE FLTLRTNQRS DQWGGDYRNR MRFAVEVVRA DATA SEQUENCE VRERVGNDFI IIYRLSMLDL VEDGGTFAET VELAQAIEAA GATIINTGIG DATA SEQUENCE WHEARIPTIA TPVPRGAFSW VTRKLKGHVS LPLVTTNRIN DPQVADDILS DATA SEQUENCE RGDADMVSMA RPFLADAELL SKAQSGRADE INTCIGCNQA CLDQIFVGKV DATA SEQUENCE TSCLVNPRAC HETKMPILPA VQKKNLAVVG AGPAGLAFAI NAAARGHQVT DATA SEQUENCE LFDAHSEIGG QFNIAKQIPG KEEFYETLRY YRRMIEVTGV TLKLNHTVTA DATA SEQUENCE DQLQAFDETI LASGIVPRTP PIDGIDHPKV LSYLDVLRDK APVGNKVAII DATA SEQUENCE GCGGIGFDTA MYLSQPGEST SQNIAGFCNE WGIDSSLQQA GGLSPQGMQI DATA SEQUENCE PRSPRQIVML QRKASKPGQG LGKTTGWIHR TTLLSRGVKM IPGVSYQKID DATA SEQUENCE DDGLHVVING ETQVLAVDNV VICAGQEPNR ALAQPLIDSG KTVHLIGGCD DATA SEQUENCE VAMELDARRA IAQGTRLALE I 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 1 S HA 0.000 nan 4.470 nan 0.000 0.327 1 S C 0.000 174.275 174.600 -0.541 0.000 1.055 1 S CA 0.000 57.946 58.200 -0.424 0.000 1.107 1 S CB 0.000 62.869 63.200 -0.551 0.000 0.593 2 Y N 1.603 122.004 120.300 0.168 0.000 2.658 2 Y HA 0.482 4.822 4.550 -0.350 0.000 0.362 2 Y C -2.281 173.753 175.900 0.222 0.000 1.017 2 Y CA -2.096 56.113 58.100 0.183 0.000 1.134 2 Y CB 0.826 39.422 38.460 0.226 0.000 1.144 2 Y HN 0.089 nan 8.280 nan 0.000 0.655 3 P HA -0.190 nan 4.420 nan 0.000 0.215 3 P C 1.485 178.878 177.300 0.154 0.000 1.157 3 P CA 1.868 65.066 63.100 0.163 0.000 0.874 3 P CB 0.427 32.178 31.700 0.085 0.000 0.790 4 S N -0.659 115.112 115.700 0.119 0.000 2.355 4 S HA -0.130 4.130 4.470 -0.351 0.000 0.222 4 S C 1.809 176.430 174.600 0.035 0.000 1.031 4 S CA 0.886 59.128 58.200 0.070 0.000 0.993 4 S CB -1.234 61.998 63.200 0.053 0.000 0.859 4 S HN 0.035 nan 8.310 nan 0.000 0.453 5 L N 0.904 122.136 121.223 0.016 0.000 2.013 5 L HA -0.004 4.125 4.340 -0.351 0.000 0.212 5 L C 1.173 177.851 176.870 -0.321 0.000 1.073 5 L CA 1.796 56.521 54.840 -0.193 0.000 0.753 5 L CB -0.640 41.233 42.059 -0.311 0.000 0.890 5 L HN 0.283 nan 8.230 nan 0.000 0.432 6 F N -0.188 119.812 119.950 0.083 0.000 2.660 6 F HA 0.394 4.709 4.527 -0.352 0.000 0.297 6 F C 1.022 176.848 175.800 0.043 0.000 1.132 6 F CA -0.060 57.979 58.000 0.065 0.000 1.372 6 F CB -0.595 38.453 39.000 0.080 0.000 1.003 6 F HN 0.034 nan 8.300 nan 0.000 0.524 7 A N 1.034 123.933 122.820 0.131 0.000 2.328 7 A HA 0.522 4.631 4.320 -0.351 0.000 0.284 7 A C -2.322 175.295 177.584 0.055 0.000 1.160 7 A CA -1.617 50.474 52.037 0.088 0.000 0.818 7 A CB 0.025 19.061 19.000 0.059 0.000 1.087 7 A HN -0.031 nan 8.150 nan 0.000 0.504 8 P HA 0.296 nan 4.420 nan 0.000 0.271 8 P C -0.831 176.469 177.300 0.001 0.000 1.233 8 P CA -0.158 62.956 63.100 0.023 0.000 0.789 8 P CB 0.455 32.166 31.700 0.019 0.000 0.951 9 L N 1.785 122.997 121.223 -0.019 0.000 2.406 9 L HA 0.473 4.603 4.340 -0.351 0.000 0.272 9 L C -1.070 175.763 176.870 -0.062 0.000 0.980 9 L CA -0.652 54.166 54.840 -0.036 0.000 0.831 9 L CB 1.525 43.560 42.059 -0.040 0.000 1.253 9 L HN 0.126 nan 8.230 nan 0.000 0.406 10 D N 4.221 124.583 120.400 -0.063 0.000 2.295 10 D HA 0.261 4.690 4.640 -0.351 0.000 0.248 10 D C 0.344 176.563 176.300 -0.135 0.000 1.154 10 D CA 0.143 54.089 54.000 -0.090 0.000 0.857 10 D CB 0.915 41.679 40.800 -0.060 0.000 1.117 10 D HN 0.647 nan 8.370 nan 0.000 0.468 11 L N 3.261 124.344 121.223 -0.233 0.000 2.741 11 L HA 0.310 4.439 4.340 -0.351 0.000 0.237 11 L C 1.765 178.385 176.870 -0.417 0.000 1.178 11 L CA 0.106 54.736 54.840 -0.351 0.000 0.973 11 L CB -0.134 41.607 42.059 -0.531 0.000 1.255 11 L HN 0.775 nan 8.230 nan 0.000 0.498 12 G N 1.796 110.456 108.800 -0.234 0.000 3.329 12 G HA2 -0.421 3.328 3.960 -0.351 0.000 0.220 12 G HA3 -0.421 3.328 3.960 -0.351 0.000 0.220 12 G C 0.603 175.480 174.900 -0.038 0.000 1.358 12 G CA 0.713 45.753 45.100 -0.100 0.000 0.856 12 G HN 0.383 nan 8.290 nan 0.000 0.551 13 F N 0.937 120.892 119.950 0.008 0.000 2.678 13 F HA 0.706 5.019 4.527 -0.356 0.000 0.305 13 F C 0.500 176.303 175.800 0.005 0.000 1.090 13 F CA 0.600 58.606 58.000 0.011 0.000 1.272 13 F CB 0.337 39.349 39.000 0.020 0.000 1.060 13 F HN 0.530 nan 8.300 nan 0.000 0.576 14 T N -0.615 113.761 114.554 -0.297 0.000 2.733 14 T HA 0.515 4.654 4.350 -0.351 0.000 0.312 14 T C -1.342 173.234 174.700 -0.207 0.000 1.590 14 T CA -0.362 61.646 62.100 -0.152 0.000 1.005 14 T CB 1.522 70.358 68.868 -0.054 0.000 1.528 14 T HN 0.041 nan 8.240 nan 0.000 0.496 15 T N 2.568 117.055 114.554 -0.112 0.000 2.876 15 T HA 0.649 4.788 4.350 -0.351 0.000 0.289 15 T C -0.768 173.891 174.700 -0.068 0.000 1.014 15 T CA -0.620 61.424 62.100 -0.094 0.000 0.986 15 T CB 1.015 69.851 68.868 -0.054 0.000 1.021 15 T HN 0.478 nan 8.240 nan 0.000 0.458 16 L N 3.452 124.636 121.223 -0.064 0.000 2.289 16 L HA 0.400 4.530 4.340 -0.351 0.000 0.285 16 L C 1.806 178.667 176.870 -0.014 0.000 1.049 16 L CA -0.865 53.950 54.840 -0.041 0.000 0.804 16 L CB 1.398 43.428 42.059 -0.048 0.000 1.195 16 L HN 0.803 nan 8.230 nan 0.000 0.428 17 K N 1.695 122.098 120.400 0.005 0.000 2.211 17 K HA -0.139 3.970 4.320 -0.351 0.000 0.204 17 K C 0.117 176.756 176.600 0.065 0.000 1.047 17 K CA 1.236 57.544 56.287 0.035 0.000 0.935 17 K CB -0.219 32.310 32.500 0.048 0.000 0.728 17 K HN 0.794 nan 8.250 nan 0.000 0.452 18 N N -1.491 117.233 118.700 0.040 0.000 3.277 18 N HA 0.213 4.742 4.740 -0.351 0.000 0.278 18 N C -0.747 174.746 175.510 -0.028 0.000 1.544 18 N CA -1.166 51.901 53.050 0.027 0.000 0.869 18 N CB 0.688 39.205 38.487 0.051 0.000 1.584 18 N HN -0.243 nan 8.380 nan 0.000 0.564 19 R N -0.264 120.194 120.500 -0.069 0.000 2.449 19 R HA 0.336 4.466 4.340 -0.351 0.000 0.262 19 R C -0.501 175.756 176.300 -0.072 0.000 1.006 19 R CA -0.157 55.904 56.100 -0.065 0.000 1.104 19 R CB -0.954 29.309 30.300 -0.062 0.000 1.206 19 R HN 0.450 nan 8.270 nan 0.000 0.538 20 V N 1.872 121.744 119.914 -0.070 0.000 2.417 20 V HA 0.394 4.303 4.120 -0.351 0.000 0.291 20 V C -0.136 175.962 176.094 0.006 0.000 1.024 20 V CA -0.971 61.316 62.300 -0.023 0.000 0.861 20 V CB 2.207 34.029 31.823 -0.002 0.000 0.985 20 V HN 0.120 nan 8.190 nan 0.000 0.436 21 L N 5.576 126.820 121.223 0.035 0.000 2.346 21 L HA 0.675 4.805 4.340 -0.351 0.000 0.276 21 L C -0.252 176.661 176.870 0.072 0.000 1.006 21 L CA -0.586 54.262 54.840 0.013 0.000 0.817 21 L CB 1.634 43.695 42.059 0.004 0.000 1.272 21 L HN 0.784 nan 8.230 nan 0.000 0.421 22 M N 5.019 124.602 119.600 -0.028 0.000 2.135 22 M HA 0.374 4.643 4.480 -0.351 0.000 0.345 22 M C 0.496 176.840 176.300 0.074 0.000 1.340 22 M CA -0.214 55.093 55.300 0.010 0.000 1.162 22 M CB 0.397 32.807 32.600 -0.316 0.000 1.570 22 M HN 0.813 nan 8.290 nan 0.000 0.454 23 G N 3.101 111.991 108.800 0.151 0.000 2.474 23 G HA2 -0.002 3.747 3.960 -0.351 0.000 0.233 23 G HA3 -0.002 3.747 3.960 -0.351 0.000 0.233 23 G C -0.156 174.823 174.900 0.132 0.000 1.278 23 G CA -0.423 44.747 45.100 0.116 0.000 0.861 23 G HN 0.802 nan 8.290 nan 0.000 0.567 24 S N 1.012 116.775 115.700 0.105 0.000 2.546 24 S HA 0.306 4.565 4.470 -0.351 0.000 0.290 24 S C 0.274 174.979 174.600 0.175 0.000 1.290 24 S CA 0.191 58.467 58.200 0.128 0.000 1.069 24 S CB -0.190 63.066 63.200 0.093 0.000 0.846 24 S HN 0.403 nan 8.310 nan 0.000 0.495 25 M N 5.261 124.995 119.600 0.223 0.000 2.182 25 M HA 0.174 4.443 4.480 -0.351 0.000 0.266 25 M C -0.772 175.661 176.300 0.223 0.000 0.989 25 M CA -0.457 54.980 55.300 0.228 0.000 1.003 25 M CB 1.888 34.634 32.600 0.243 0.000 1.812 25 M HN 0.736 nan 8.290 nan 0.000 0.472 26 H N 2.896 122.038 119.070 0.120 0.000 2.944 26 H HA 0.126 4.474 4.556 -0.347 0.000 0.278 26 H C 0.774 176.126 175.328 0.040 0.000 1.083 26 H CA 1.094 57.193 56.048 0.086 0.000 1.479 26 H CB 1.140 30.947 29.762 0.076 0.000 1.486 26 H HN 0.873 nan 8.280 nan 0.000 0.493 27 T N 0.723 115.163 114.554 -0.189 0.000 3.054 27 T HA 0.127 4.267 4.350 -0.351 0.000 0.259 27 T C 1.503 176.066 174.700 -0.229 0.000 1.092 27 T CA 0.703 62.676 62.100 -0.211 0.000 1.121 27 T CB 0.256 68.905 68.868 -0.365 0.000 0.912 27 T HN 0.762 nan 8.240 nan 0.000 0.489 28 G N 0.978 109.580 108.800 -0.329 0.000 2.194 28 G HA2 -0.213 3.536 3.960 -0.351 0.000 0.236 28 G HA3 -0.213 3.536 3.960 -0.351 0.000 0.236 28 G C 0.732 175.479 174.900 -0.256 0.000 0.987 28 G CA 0.283 45.263 45.100 -0.199 0.000 0.635 28 G HN 0.523 nan 8.290 nan 0.000 0.520 29 L N 1.167 122.215 121.223 -0.292 0.000 2.341 29 L HA 0.092 4.222 4.340 -0.351 0.000 0.214 29 L C 2.763 179.615 176.870 -0.030 0.000 1.115 29 L CA 1.130 55.855 54.840 -0.191 0.000 0.820 29 L CB -0.328 41.583 42.059 -0.246 0.000 0.944 29 L HN 0.335 nan 8.230 nan 0.000 0.452 30 E N 1.133 121.276 120.200 -0.097 0.000 2.114 30 E HA -0.239 3.901 4.350 -0.351 0.000 0.199 30 E C 0.825 177.446 176.600 0.034 0.000 1.008 30 E CA 1.278 57.679 56.400 0.001 0.000 0.810 30 E CB -0.480 29.172 29.700 -0.079 0.000 0.739 30 E HN 0.595 nan 8.360 nan 0.000 0.456 31 E N -0.102 120.131 120.200 0.055 0.000 2.947 31 E HA 0.171 4.311 4.350 -0.351 0.000 0.229 31 E C -0.953 175.746 176.600 0.164 0.000 1.158 31 E CA -0.612 55.833 56.400 0.074 0.000 1.441 31 E CB -0.402 29.349 29.700 0.084 0.000 1.414 31 E HN 0.105 nan 8.360 nan 0.000 0.432 32 Y N 0.490 120.771 120.300 -0.031 0.000 2.536 32 Y HA 0.339 4.675 4.550 -0.356 0.000 0.347 32 Y C -1.649 174.240 175.900 -0.020 0.000 1.000 32 Y CA -2.162 55.918 58.100 -0.033 0.000 1.051 32 Y CB 1.879 40.304 38.460 -0.058 0.000 1.259 32 Y HN -0.100 nan 8.280 nan 0.000 0.468 33 P HA -0.240 nan 4.420 nan 0.000 0.212 33 P C -0.124 177.149 177.300 -0.046 0.000 1.128 33 P CA 2.108 65.093 63.100 -0.192 0.000 0.961 33 P CB 0.281 31.794 31.700 -0.312 0.000 0.782 34 D N -1.722 118.672 120.400 -0.009 0.000 2.895 34 D HA 0.159 4.589 4.640 -0.351 0.000 0.258 34 D C 1.546 177.871 176.300 0.041 0.000 1.311 34 D CA 0.146 54.157 54.000 0.018 0.000 0.843 34 D CB -0.033 40.766 40.800 -0.001 0.000 1.055 34 D HN 0.138 nan 8.370 nan 0.000 0.486 35 G N 1.103 109.961 108.800 0.097 0.000 2.459 35 G HA2 -0.290 3.459 3.960 -0.351 0.000 0.217 35 G HA3 -0.290 3.459 3.960 -0.351 0.000 0.217 35 G C 1.689 176.578 174.900 -0.018 0.000 1.183 35 G CA 1.006 46.154 45.100 0.080 0.000 0.776 35 G HN 0.384 nan 8.290 nan 0.000 0.552 36 A N 0.767 123.540 122.820 -0.078 0.000 1.903 36 A HA -0.191 3.919 4.320 -0.351 0.000 0.219 36 A C 2.217 179.680 177.584 -0.201 0.000 1.191 36 A CA 2.513 54.298 52.037 -0.419 0.000 0.638 36 A CB -0.521 18.117 19.000 -0.603 0.000 0.823 36 A HN 0.409 nan 8.150 nan 0.000 0.451 37 E N -0.507 119.628 120.200 -0.108 0.000 2.107 37 E HA -0.078 4.062 4.350 -0.351 0.000 0.191 37 E C 2.235 178.806 176.600 -0.050 0.000 0.982 37 E CA 1.166 57.526 56.400 -0.067 0.000 0.809 37 E CB -0.141 29.535 29.700 -0.040 0.000 0.756 37 E HN 0.629 nan 8.360 nan 0.000 0.459 38 R N -0.441 120.027 120.500 -0.054 0.000 2.073 38 R HA 0.031 4.161 4.340 -0.351 0.000 0.229 38 R C 2.455 178.714 176.300 -0.068 0.000 1.120 38 R CA 1.082 57.145 56.100 -0.063 0.000 0.967 38 R CB -0.303 29.939 30.300 -0.097 0.000 0.862 38 R HN 0.207 nan 8.270 nan 0.000 0.436 39 L N 0.310 121.476 121.223 -0.095 0.000 2.093 39 L HA -0.133 3.997 4.340 -0.351 0.000 0.208 39 L C 2.653 179.507 176.870 -0.026 0.000 1.085 39 L CA 1.057 55.827 54.840 -0.117 0.000 0.755 39 L CB -0.528 41.492 42.059 -0.066 0.000 0.904 39 L HN 0.252 nan 8.230 nan 0.000 0.435 40 A N 0.074 122.893 122.820 -0.002 0.000 1.883 40 A HA -0.207 3.902 4.320 -0.351 0.000 0.217 40 A C 2.476 180.080 177.584 0.033 0.000 1.186 40 A CA 1.936 53.988 52.037 0.025 0.000 0.624 40 A CB -0.682 18.298 19.000 -0.034 0.000 0.822 40 A HN 0.410 nan 8.150 nan 0.000 0.444 41 A N -1.581 121.252 122.820 0.023 0.000 1.970 41 A HA 0.134 4.243 4.320 -0.351 0.000 0.216 41 A C 1.964 179.585 177.584 0.062 0.000 1.170 41 A CA 1.314 53.373 52.037 0.036 0.000 0.645 41 A CB -0.611 18.409 19.000 0.033 0.000 0.816 41 A HN 0.674 nan 8.150 nan 0.000 0.447 42 F N -0.160 119.715 119.950 -0.126 0.000 2.075 42 F HA -0.192 4.117 4.527 -0.363 0.000 0.297 42 F C 2.085 177.819 175.800 -0.111 0.000 1.113 42 F CA 1.634 59.527 58.000 -0.177 0.000 1.218 42 F CB -0.739 38.040 39.000 -0.367 0.000 0.984 42 F HN 0.342 nan 8.300 nan 0.000 0.472 43 Y N -0.037 120.132 120.300 -0.217 0.000 2.220 43 Y HA -0.078 4.253 4.550 -0.365 0.000 0.291 43 Y C 2.702 178.467 175.900 -0.225 0.000 1.129 43 Y CA 0.612 58.511 58.100 -0.336 0.000 1.161 43 Y CB -0.844 37.525 38.460 -0.152 0.000 0.997 43 Y HN 0.181 nan 8.280 nan 0.000 0.522 44 A N 0.366 123.206 122.820 0.034 0.000 1.917 44 A HA -0.312 3.797 4.320 -0.351 0.000 0.219 44 A C 2.027 179.604 177.584 -0.011 0.000 1.182 44 A CA 2.133 54.169 52.037 -0.001 0.000 0.633 44 A CB -0.760 18.242 19.000 0.004 0.000 0.819 44 A HN 0.567 nan 8.150 nan 0.000 0.448 45 E N -0.899 119.299 120.200 -0.003 0.000 2.110 45 E HA -0.220 3.919 4.350 -0.351 0.000 0.193 45 E C 2.154 178.806 176.600 0.087 0.000 0.988 45 E CA 1.067 57.505 56.400 0.064 0.000 0.804 45 E CB 0.016 29.764 29.700 0.081 0.000 0.745 45 E HN 0.456 nan 8.360 nan 0.000 0.458 46 R N 0.008 120.472 120.500 -0.060 0.000 2.090 46 R HA 0.040 4.169 4.340 -0.351 0.000 0.228 46 R C 2.064 178.307 176.300 -0.096 0.000 1.110 46 R CA 1.209 57.240 56.100 -0.115 0.000 0.973 46 R CB -0.465 29.624 30.300 -0.353 0.000 0.869 46 R HN 0.193 nan 8.270 nan 0.000 0.440 47 A N 0.300 123.064 122.820 -0.093 0.000 1.968 47 A HA -0.112 3.998 4.320 -0.351 0.000 0.217 47 A C 2.078 179.631 177.584 -0.051 0.000 1.169 47 A CA 1.251 53.242 52.037 -0.076 0.000 0.638 47 A CB -0.375 18.585 19.000 -0.067 0.000 0.812 47 A HN 0.219 nan 8.150 nan 0.000 0.446 48 R N -1.072 119.392 120.500 -0.061 0.000 2.189 48 R HA -0.098 4.032 4.340 -0.351 0.000 0.223 48 R C 0.563 176.694 176.300 -0.281 0.000 1.092 48 R CA 1.136 57.142 56.100 -0.158 0.000 0.989 48 R CB -0.179 30.009 30.300 -0.187 0.000 0.876 48 R HN 0.614 nan 8.270 nan 0.000 0.457 49 H N -1.533 117.544 119.070 0.011 0.000 2.503 49 H HA 0.212 4.556 4.556 -0.352 0.000 0.296 49 H C 0.718 176.095 175.328 0.082 0.000 1.097 49 H CA 0.620 56.698 56.048 0.050 0.000 1.055 49 H CB 1.216 31.020 29.762 0.071 0.000 1.580 49 H HN 0.540 nan 8.280 nan 0.000 0.546 50 G N 0.450 109.314 108.800 0.106 0.000 2.232 50 G HA2 -0.303 3.446 3.960 -0.351 0.000 0.226 50 G HA3 -0.303 3.446 3.960 -0.351 0.000 0.226 50 G C 0.416 175.365 174.900 0.083 0.000 0.996 50 G CA 0.077 45.258 45.100 0.136 0.000 0.626 50 G HN 0.227 nan 8.290 nan 0.000 0.509 51 V N 2.127 122.030 119.914 -0.019 0.000 2.539 51 V HA 0.298 4.207 4.120 -0.351 0.000 0.300 51 V C 1.977 178.026 176.094 -0.075 0.000 1.019 51 V CA 1.319 63.542 62.300 -0.127 0.000 1.160 51 V CB 0.569 32.160 31.823 -0.388 0.000 0.901 51 V HN 0.979 nan 8.190 nan 0.000 0.481 52 A N 5.351 128.145 122.820 -0.043 0.000 1.873 52 A HA 0.133 4.243 4.320 -0.351 0.000 0.215 52 A C 0.713 178.266 177.584 -0.052 0.000 1.186 52 A CA 1.263 53.283 52.037 -0.029 0.000 0.616 52 A CB -0.031 18.959 19.000 -0.018 0.000 0.823 52 A HN 0.719 nan 8.150 nan 0.000 0.442 53 L N -0.855 120.324 121.223 -0.074 0.000 2.464 53 L HA 0.634 4.763 4.340 -0.351 0.000 0.266 53 L C -1.237 175.561 176.870 -0.120 0.000 0.965 53 L CA -0.387 54.404 54.840 -0.081 0.000 0.833 53 L CB 1.747 43.770 42.059 -0.060 0.000 1.296 53 L HN 0.241 nan 8.230 nan 0.000 0.405 54 I N 4.814 125.293 120.570 -0.153 0.000 2.460 54 I HA 0.579 4.539 4.170 -0.351 0.000 0.298 54 I C -0.780 175.237 176.117 -0.168 0.000 0.989 54 I CA -1.078 60.097 61.300 -0.209 0.000 1.173 54 I CB 2.076 39.867 38.000 -0.349 0.000 1.338 54 I HN 0.277 nan 8.210 nan 0.000 0.456 55 V N 4.326 124.166 119.914 -0.123 0.000 2.409 55 V HA 0.266 4.176 4.120 -0.351 0.000 0.291 55 V C 0.337 176.398 176.094 -0.055 0.000 1.020 55 V CA -0.631 61.624 62.300 -0.076 0.000 0.848 55 V CB 1.596 33.404 31.823 -0.025 0.000 0.990 55 V HN 0.930 nan 8.190 nan 0.000 0.430 56 S N 4.308 119.973 115.700 -0.058 0.000 2.606 56 S HA 0.461 4.721 4.470 -0.351 0.000 0.257 56 S C 0.695 175.385 174.600 0.151 0.000 1.327 56 S CA 0.131 58.373 58.200 0.070 0.000 0.984 56 S CB 0.946 64.216 63.200 0.117 0.000 0.941 56 S HN 1.205 nan 8.310 nan 0.000 0.576 57 G N -0.335 108.607 108.800 0.236 0.000 2.636 57 G HA2 0.465 4.214 3.960 -0.351 0.000 0.246 57 G HA3 0.465 4.214 3.960 -0.351 0.000 0.246 57 G C 0.494 175.502 174.900 0.180 0.000 1.216 57 G CA -0.421 44.804 45.100 0.208 0.000 0.854 57 G HN 1.101 nan 8.290 nan 0.000 0.572 58 G N -0.943 107.973 108.800 0.193 0.000 2.380 58 G HA2 0.415 4.164 3.960 -0.351 0.000 0.242 58 G HA3 0.415 4.164 3.960 -0.351 0.000 0.242 58 G C -0.261 174.719 174.900 0.132 0.000 1.298 58 G CA -0.195 44.965 45.100 0.099 0.000 0.878 58 G HN 0.590 nan 8.290 nan 0.000 0.542 59 I N 1.290 121.875 120.570 0.024 0.000 2.533 59 I HA 0.429 4.388 4.170 -0.351 0.000 0.290 59 I C 0.540 176.602 176.117 -0.093 0.000 1.056 59 I CA -1.031 60.275 61.300 0.010 0.000 1.057 59 I CB 2.153 40.163 38.000 0.016 0.000 1.240 59 I HN 0.609 nan 8.210 nan 0.000 0.423 60 A N 7.075 129.830 122.820 -0.107 0.000 2.462 60 A HA 0.431 4.540 4.320 -0.351 0.000 0.243 60 A C -1.996 175.466 177.584 -0.202 0.000 1.076 60 A CA -0.851 51.077 52.037 -0.181 0.000 0.773 60 A CB -0.053 18.840 19.000 -0.179 0.000 1.010 60 A HN 0.567 nan 8.150 nan 0.000 0.493 61 P HA 0.037 nan 4.420 nan 0.000 0.222 61 P C 0.033 177.230 177.300 -0.172 0.000 1.157 61 P CA 1.147 64.054 63.100 -0.322 0.000 0.816 61 P CB 0.225 31.519 31.700 -0.677 0.000 0.813 62 D N -1.981 118.345 120.400 -0.125 0.000 2.846 62 D HA 0.111 4.541 4.640 -0.351 0.000 0.273 62 D C 0.595 176.844 176.300 -0.085 0.000 1.145 62 D CA -0.523 53.438 54.000 -0.065 0.000 1.091 62 D CB 0.281 41.084 40.800 0.005 0.000 1.364 62 D HN -0.228 nan 8.370 nan 0.000 0.613 63 L N 0.024 121.208 121.223 -0.066 0.000 2.249 63 L HA 0.049 4.178 4.340 -0.351 0.000 0.207 63 L C 2.317 179.129 176.870 -0.096 0.000 1.090 63 L CA 2.067 56.859 54.840 -0.079 0.000 0.802 63 L CB -0.681 41.335 42.059 -0.072 0.000 0.947 63 L HN 0.739 nan 8.230 nan 0.000 0.453 64 T N -4.290 110.223 114.554 -0.068 0.000 3.113 64 T HA 0.015 4.154 4.350 -0.351 0.000 0.263 64 T C 1.615 176.130 174.700 -0.308 0.000 1.143 64 T CA 0.700 62.765 62.100 -0.058 0.000 1.090 64 T CB -0.510 68.419 68.868 0.102 0.000 0.922 64 T HN 0.331 nan 8.240 nan 0.000 0.521 65 G N 1.537 109.997 108.800 -0.567 0.000 2.887 65 G HA2 0.343 4.093 3.960 -0.351 0.000 0.211 65 G HA3 0.343 4.093 3.960 -0.351 0.000 0.211 65 G C 0.619 175.231 174.900 -0.481 0.000 1.152 65 G CA 0.173 44.625 45.100 -1.079 0.000 0.769 65 G HN 0.672 nan 8.290 nan 0.000 0.541 66 V N -1.183 118.566 119.914 -0.274 0.000 3.367 66 V HA 0.463 4.372 4.120 -0.351 0.000 0.304 66 V C 1.675 177.686 176.094 -0.137 0.000 1.131 66 V CA 0.500 62.702 62.300 -0.164 0.000 1.233 66 V CB 0.406 32.175 31.823 -0.091 0.000 1.021 66 V HN 0.078 nan 8.190 nan 0.000 0.497 67 G N 1.506 110.244 108.800 -0.105 0.000 2.411 67 G HA2 0.271 4.021 3.960 -0.351 0.000 0.213 67 G HA3 0.271 4.021 3.960 -0.351 0.000 0.213 67 G C 0.416 175.374 174.900 0.097 0.000 1.166 67 G CA 0.189 45.265 45.100 -0.040 0.000 0.802 67 G HN 0.630 nan 8.290 nan 0.000 0.533 68 M N -0.373 119.262 119.600 0.060 0.000 2.575 68 M HA 0.310 4.580 4.480 -0.351 0.000 0.284 68 M C -1.202 175.122 176.300 0.040 0.000 1.253 68 M CA -0.677 54.681 55.300 0.097 0.000 0.861 68 M CB 2.886 35.527 32.600 0.068 0.000 1.733 68 M HN -0.095 nan 8.290 nan 0.000 0.462 69 E N 0.793 121.014 120.200 0.035 0.000 2.608 69 E HA 0.116 4.255 4.350 -0.351 0.000 0.259 69 E C 0.878 177.487 176.600 0.014 0.000 0.951 69 E CA 1.390 57.797 56.400 0.012 0.000 0.945 69 E CB 0.221 29.927 29.700 0.010 0.000 0.916 69 E HN 0.943 nan 8.360 nan 0.000 0.477 70 G N 2.728 111.531 108.800 0.005 0.000 2.159 70 G HA2 -0.262 3.487 3.960 -0.351 0.000 0.256 70 G HA3 -0.262 3.487 3.960 -0.351 0.000 0.256 70 G C 0.570 175.483 174.900 0.022 0.000 0.977 70 G CA -0.178 44.927 45.100 0.008 0.000 0.652 70 G HN 0.814 nan 8.290 nan 0.000 0.531 71 G N 0.118 108.932 108.800 0.023 0.000 2.664 71 G HA2 0.613 4.363 3.960 -0.351 0.000 0.242 71 G HA3 0.613 4.363 3.960 -0.351 0.000 0.242 71 G C 0.855 175.786 174.900 0.051 0.000 1.225 71 G CA 0.520 45.650 45.100 0.050 0.000 0.849 71 G HN 1.711 nan 8.290 nan 0.000 0.581 72 A N 0.782 123.676 122.820 0.123 0.000 2.587 72 A HA 0.423 4.532 4.320 -0.351 0.000 0.235 72 A C 0.297 177.906 177.584 0.041 0.000 1.044 72 A CA 0.796 52.893 52.037 0.101 0.000 0.754 72 A CB 0.002 19.116 19.000 0.189 0.000 0.968 72 A HN 1.050 nan 8.150 nan 0.000 0.509 73 M N 2.251 121.862 119.600 0.018 0.000 2.471 73 M HA 0.584 4.854 4.480 -0.351 0.000 0.284 73 M C -2.315 173.987 176.300 0.003 0.000 1.203 73 M CA -0.783 54.506 55.300 -0.017 0.000 0.915 73 M CB 1.839 34.415 32.600 -0.039 0.000 1.734 73 M HN 0.647 nan 8.290 nan 0.000 0.485 74 L N 5.253 126.456 121.223 -0.033 0.000 2.454 74 L HA 0.531 4.660 4.340 -0.351 0.000 0.258 74 L C -1.137 175.699 176.870 -0.056 0.000 1.025 74 L CA 0.092 54.913 54.840 -0.030 0.000 0.901 74 L CB 0.646 42.636 42.059 -0.115 0.000 1.210 74 L HN 0.828 nan 8.230 nan 0.000 0.457 75 N N 0.932 119.612 118.700 -0.033 0.000 2.307 75 N HA 0.320 4.849 4.740 -0.351 0.000 0.248 75 N C -1.024 174.474 175.510 -0.020 0.000 1.322 75 N CA -0.447 52.581 53.050 -0.037 0.000 0.861 75 N CB 0.466 38.927 38.487 -0.044 0.000 1.303 75 N HN 0.419 nan 8.380 nan 0.000 0.498 76 D N -0.825 119.572 120.400 -0.004 0.000 2.931 76 D HA 0.521 4.951 4.640 -0.351 0.000 0.215 76 D C 0.475 176.788 176.300 0.022 0.000 1.297 76 D CA -0.329 53.673 54.000 0.004 0.000 0.892 76 D CB 1.807 42.607 40.800 0.001 0.000 1.642 76 D HN 0.103 nan 8.370 nan 0.000 0.560 77 A N 2.374 125.206 122.820 0.019 0.000 2.093 77 A HA -0.195 3.915 4.320 -0.351 0.000 0.222 77 A C 2.084 179.695 177.584 0.045 0.000 1.162 77 A CA 2.161 54.217 52.037 0.031 0.000 0.655 77 A CB -0.492 18.519 19.000 0.018 0.000 0.805 77 A HN 0.455 nan 8.150 nan 0.000 0.461 78 S N -0.679 115.043 115.700 0.037 0.000 2.423 78 S HA -0.191 4.069 4.470 -0.351 0.000 0.231 78 S C 1.844 176.482 174.600 0.064 0.000 1.014 78 S CA 1.486 59.709 58.200 0.039 0.000 0.965 78 S CB -0.350 62.862 63.200 0.021 0.000 0.785 78 S HN 0.741 nan 8.310 nan 0.000 0.495 79 Q N 0.052 119.903 119.800 0.085 0.000 2.444 79 Q HA 0.221 4.350 4.340 -0.351 0.000 0.206 79 Q C 1.738 177.905 176.000 0.278 0.000 0.948 79 Q CA 0.313 56.203 55.803 0.144 0.000 0.946 79 Q CB -0.083 28.741 28.738 0.143 0.000 1.027 79 Q HN 0.595 nan 8.270 nan 0.000 0.513 80 I N 1.176 121.868 120.570 0.202 0.000 2.226 80 I HA -0.205 3.755 4.170 -0.351 0.000 0.245 80 I C -0.784 175.445 176.117 0.187 0.000 1.100 80 I CA 1.022 62.450 61.300 0.213 0.000 1.374 80 I CB -1.141 36.932 38.000 0.122 0.000 1.057 80 I HN 0.113 nan 8.210 nan 0.000 0.413 81 P HA -0.199 nan 4.420 nan 0.000 0.218 81 P C 1.374 178.715 177.300 0.068 0.000 1.148 81 P CA 1.491 64.638 63.100 0.079 0.000 0.822 81 P CB -0.074 31.661 31.700 0.059 0.000 0.784 82 H N -0.689 118.376 119.070 -0.007 0.000 2.253 82 H HA -0.189 4.156 4.556 -0.353 0.000 0.296 82 H C 2.033 177.264 175.328 -0.161 0.000 1.074 82 H CA 1.977 57.956 56.048 -0.114 0.000 1.263 82 H CB -0.630 29.011 29.762 -0.202 0.000 1.363 82 H HN 0.219 nan 8.280 nan 0.000 0.489 83 H N -0.183 118.972 119.070 0.142 0.000 2.423 83 H HA -0.047 4.183 4.556 -0.543 0.000 0.297 83 H C 2.500 177.759 175.328 -0.114 0.000 1.075 83 H CA 1.129 57.215 56.048 0.064 0.000 1.342 83 H CB -0.103 29.837 29.762 0.296 0.000 1.395 83 H HN 0.362 nan 8.280 nan 0.000 0.530 84 R N 0.587 121.112 120.500 0.042 0.000 2.105 84 R HA -0.117 4.012 4.340 -0.351 0.000 0.239 84 R C 2.005 178.252 176.300 -0.088 0.000 1.135 84 R CA 1.660 57.741 56.100 -0.031 0.000 0.967 84 R CB -0.041 30.267 30.300 0.013 0.000 0.861 84 R HN 0.187 nan 8.270 nan 0.000 0.442 85 T N 0.845 115.341 114.554 -0.097 0.000 2.833 85 T HA -0.105 4.034 4.350 -0.351 0.000 0.269 85 T C 1.740 176.361 174.700 -0.132 0.000 1.054 85 T CA 1.247 63.280 62.100 -0.112 0.000 1.135 85 T CB -0.030 68.755 68.868 -0.139 0.000 0.869 85 T HN 0.213 nan 8.240 nan 0.000 0.466 86 I N 1.387 121.858 120.570 -0.166 0.000 2.296 86 I HA -0.125 3.834 4.170 -0.351 0.000 0.242 86 I C 3.011 178.989 176.117 -0.232 0.000 1.087 86 I CA 1.460 62.679 61.300 -0.134 0.000 1.393 86 I CB -0.688 37.277 38.000 -0.058 0.000 1.093 86 I HN 0.334 nan 8.210 nan 0.000 0.421 87 T N -1.455 112.860 114.554 -0.399 0.000 2.759 87 T HA -0.209 3.930 4.350 -0.351 0.000 0.269 87 T C 1.599 175.938 174.700 -0.601 0.000 1.042 87 T CA 1.483 63.208 62.100 -0.626 0.000 1.140 87 T CB -0.493 67.979 68.868 -0.661 0.000 0.864 87 T HN 0.375 nan 8.240 nan 0.000 0.455 88 E N 1.205 121.239 120.200 -0.277 0.000 2.152 88 E HA 0.118 4.257 4.350 -0.351 0.000 0.192 88 E C 2.603 179.149 176.600 -0.090 0.000 0.983 88 E CA 0.789 57.120 56.400 -0.116 0.000 0.818 88 E CB -0.294 29.379 29.700 -0.045 0.000 0.758 88 E HN 0.713 nan 8.360 nan 0.000 0.467 89 A N 0.759 123.515 122.820 -0.107 0.000 1.930 89 A HA -0.111 3.999 4.320 -0.351 0.000 0.217 89 A C 2.423 179.970 177.584 -0.061 0.000 1.175 89 A CA 0.916 52.917 52.037 -0.060 0.000 0.627 89 A CB -0.410 18.566 19.000 -0.041 0.000 0.815 89 A HN 0.102 nan 8.150 nan 0.000 0.443 90 V N -0.438 119.400 119.914 -0.128 0.000 2.379 90 V HA -0.255 3.654 4.120 -0.351 0.000 0.245 90 V C 2.244 178.318 176.094 -0.032 0.000 1.044 90 V CA 2.172 64.403 62.300 -0.117 0.000 1.036 90 V CB -1.154 30.541 31.823 -0.212 0.000 0.664 90 V HN 0.739 nan 8.190 nan 0.000 0.453 91 H N -0.771 118.268 119.070 -0.052 0.000 2.387 91 H HA -0.136 4.234 4.556 -0.310 0.000 0.299 91 H C 2.488 177.796 175.328 -0.033 0.000 1.090 91 H CA 1.086 57.109 56.048 -0.041 0.000 1.332 91 H CB 0.151 29.890 29.762 -0.039 0.000 1.386 91 H HN 0.337 nan 8.280 nan 0.000 0.516 92 Q N 0.591 120.444 119.800 0.087 0.000 2.170 92 Q HA -0.124 4.005 4.340 -0.351 0.000 0.203 92 Q C 1.518 177.528 176.000 0.017 0.000 0.976 92 Q CA 0.998 56.824 55.803 0.038 0.000 0.858 92 Q CB 0.096 28.843 28.738 0.015 0.000 0.907 92 Q HN 0.609 nan 8.270 nan 0.000 0.433 93 E N -0.870 119.336 120.200 0.010 0.000 2.489 93 E HA 0.096 4.236 4.350 -0.351 0.000 0.193 93 E C 0.797 177.392 176.600 -0.008 0.000 1.057 93 E CA 0.572 56.965 56.400 -0.013 0.000 0.866 93 E CB 0.413 30.096 29.700 -0.029 0.000 0.916 93 E HN 0.455 nan 8.360 nan 0.000 0.500 94 G N 0.947 109.758 108.800 0.017 0.000 2.132 94 G HA2 -0.214 3.536 3.960 -0.351 0.000 0.228 94 G HA3 -0.214 3.536 3.960 -0.351 0.000 0.228 94 G C 0.524 175.436 174.900 0.020 0.000 1.000 94 G CA 0.111 45.220 45.100 0.014 0.000 0.693 94 G HN 0.526 nan 8.290 nan 0.000 0.515 95 G N -1.006 107.816 108.800 0.037 0.000 2.753 95 G HA2 0.757 4.507 3.960 -0.351 0.000 0.285 95 G HA3 0.757 4.507 3.960 -0.351 0.000 0.285 95 G C -0.382 174.571 174.900 0.088 0.000 1.344 95 G CA -0.689 44.425 45.100 0.023 0.000 1.050 95 G HN 0.393 nan 8.290 nan 0.000 0.532 96 K N -1.072 119.349 120.400 0.035 0.000 2.443 96 K HA 0.677 4.787 4.320 -0.351 0.000 0.251 96 K C -1.484 175.104 176.600 -0.019 0.000 0.972 96 K CA -0.646 55.686 56.287 0.074 0.000 0.833 96 K CB 3.013 35.537 32.500 0.040 0.000 1.317 96 K HN 0.392 nan 8.250 nan 0.000 0.441 97 I N 0.582 121.154 120.570 0.003 0.000 2.722 97 I HA 0.547 4.507 4.170 -0.351 0.000 0.292 97 I C -1.795 174.397 176.117 0.126 0.000 1.267 97 I CA -0.483 60.795 61.300 -0.037 0.000 1.036 97 I CB 1.877 39.783 38.000 -0.156 0.000 1.281 97 I HN 0.814 nan 8.210 nan 0.000 0.423 98 A N 7.070 129.925 122.820 0.057 0.000 2.356 98 A HA 0.757 4.867 4.320 -0.351 0.000 0.323 98 A C -1.634 175.881 177.584 -0.115 0.000 1.119 98 A CA -0.656 51.386 52.037 0.008 0.000 0.790 98 A CB 1.717 20.663 19.000 -0.090 0.000 1.273 98 A HN 0.769 nan 8.150 nan 0.000 0.452 99 L N 0.986 121.965 121.223 -0.405 0.000 2.295 99 L HA 0.486 4.616 4.340 -0.351 0.000 0.285 99 L C 0.117 176.838 176.870 -0.248 0.000 1.035 99 L CA -0.452 54.056 54.840 -0.552 0.000 0.806 99 L CB 1.362 42.730 42.059 -1.151 0.000 1.214 99 L HN 0.862 nan 8.230 nan 0.000 0.426 100 Q N 4.792 124.509 119.800 -0.138 0.000 2.267 100 Q HA 0.394 4.524 4.340 -0.351 0.000 0.255 100 Q C -1.148 174.811 176.000 -0.068 0.000 0.923 100 Q CA -0.468 55.297 55.803 -0.063 0.000 0.925 100 Q CB 1.156 29.888 28.738 -0.011 0.000 1.195 100 Q HN 0.689 nan 8.270 nan 0.000 0.417 101 I N 5.671 126.219 120.570 -0.036 0.000 2.307 101 I HA 0.232 4.191 4.170 -0.351 0.000 0.289 101 I C -0.812 175.288 176.117 -0.028 0.000 1.021 101 I CA -0.675 60.579 61.300 -0.076 0.000 1.224 101 I CB 0.919 38.890 38.000 -0.050 0.000 1.376 101 I HN 0.482 nan 8.210 nan 0.000 0.470 102 L N 7.378 128.543 121.223 -0.097 0.000 2.381 102 L HA 0.501 4.630 4.340 -0.351 0.000 0.274 102 L C -0.979 175.820 176.870 -0.119 0.000 0.988 102 L CA -0.191 54.599 54.840 -0.083 0.000 0.824 102 L CB 1.442 43.404 42.059 -0.161 0.000 1.263 102 L HN 0.463 nan 8.230 nan 0.000 0.410 103 H N 3.107 122.128 119.070 -0.082 0.000 2.587 103 H HA 0.276 4.621 4.556 -0.352 0.000 0.325 103 H C 0.263 175.568 175.328 -0.038 0.000 1.012 103 H CA 0.359 56.383 56.048 -0.040 0.000 1.213 103 H CB 1.715 31.556 29.762 0.132 0.000 1.431 103 H HN 0.869 nan 8.280 nan 0.000 0.492 104 T N 1.606 116.083 114.554 -0.129 0.000 3.163 104 T HA 0.114 4.253 4.350 -0.351 0.000 0.260 104 T C 1.390 176.283 174.700 0.323 0.000 1.156 104 T CA 0.440 62.565 62.100 0.042 0.000 1.072 104 T CB -0.213 68.636 68.868 -0.032 0.000 0.937 104 T HN 0.813 nan 8.240 nan 0.000 0.528 105 G N 3.237 112.308 108.800 0.451 0.000 2.627 105 G HA2 -0.460 3.289 3.960 -0.351 0.000 0.312 105 G HA3 -0.460 3.289 3.960 -0.351 0.000 0.312 105 G C 0.761 175.725 174.900 0.107 0.000 1.299 105 G CA 0.806 46.077 45.100 0.285 0.000 0.989 105 G HN 0.902 nan 8.290 nan 0.000 0.547 106 R N 0.133 120.604 120.500 -0.049 0.000 2.369 106 R HA 0.207 4.336 4.340 -0.351 0.000 0.200 106 R C 1.738 178.060 176.300 0.037 0.000 1.046 106 R CA 1.621 57.691 56.100 -0.049 0.000 1.057 106 R CB -0.345 29.881 30.300 -0.123 0.000 0.888 106 R HN 0.709 nan 8.270 nan 0.000 0.474 107 Y N 0.976 121.274 120.300 -0.004 0.000 2.497 107 Y HA 0.092 4.431 4.550 -0.353 0.000 0.265 107 Y C 0.840 176.559 175.900 -0.302 0.000 1.111 107 Y CA -0.507 57.534 58.100 -0.098 0.000 1.288 107 Y CB 0.691 39.203 38.460 0.086 0.000 1.082 107 Y HN 0.168 nan 8.280 nan 0.000 0.536 108 S N 0.305 116.004 115.700 -0.002 0.000 2.537 108 S HA -0.090 4.170 4.470 -0.351 0.000 0.286 108 S C -0.665 173.848 174.600 -0.145 0.000 1.299 108 S CA -0.381 57.764 58.200 -0.092 0.000 1.067 108 S CB -0.171 62.994 63.200 -0.059 0.000 0.864 108 S HN 0.244 nan 8.310 nan 0.000 0.494 109 Y N 2.341 122.737 120.300 0.159 0.000 2.851 109 Y HA 0.324 4.662 4.550 -0.353 0.000 0.369 109 Y C 0.924 176.908 175.900 0.140 0.000 1.226 109 Y CA -0.200 58.070 58.100 0.284 0.000 1.949 109 Y CB -0.314 38.256 38.460 0.182 0.000 2.059 109 Y HN 0.772 nan 8.280 nan 0.000 0.420 110 Q N 0.943 120.657 119.800 -0.143 0.000 2.340 110 Q HA 0.311 4.441 4.340 -0.351 0.000 0.276 110 Q C -2.615 172.738 176.000 -1.080 0.000 1.048 110 Q CA -2.210 53.282 55.803 -0.518 0.000 0.832 110 Q CB 2.711 31.327 28.738 -0.204 0.000 1.373 110 Q HN 0.081 nan 8.270 nan 0.000 0.409 111 P HA -0.140 nan 4.420 nan 0.000 0.218 111 P C 0.191 177.131 177.300 -0.600 0.000 1.148 111 P CA 1.229 63.716 63.100 -1.022 0.000 0.822 111 P CB 0.162 31.398 31.700 -0.774 0.000 0.784 112 H N -0.738 118.175 119.070 -0.261 0.000 2.555 112 H HA 0.145 4.490 4.556 -0.351 0.000 0.283 112 H C 0.886 176.159 175.328 -0.093 0.000 1.037 112 H CA -0.309 55.652 56.048 -0.146 0.000 1.169 112 H CB -0.940 28.744 29.762 -0.130 0.000 1.375 112 H HN 0.209 nan 8.280 nan 0.000 0.582 113 L N 0.278 121.480 121.223 -0.035 0.000 2.514 113 L HA 0.172 4.302 4.340 -0.351 0.000 0.280 113 L C 0.315 177.242 176.870 0.094 0.000 1.223 113 L CA -0.329 54.525 54.840 0.025 0.000 0.864 113 L CB 0.468 42.534 42.059 0.012 0.000 1.118 113 L HN -0.128 nan 8.230 nan 0.000 0.494 114 V N 0.939 120.937 119.914 0.140 0.000 2.769 114 V HA 1.045 4.954 4.120 -0.351 0.000 0.312 114 V C -0.020 176.099 176.094 0.042 0.000 1.061 114 V CA 0.176 62.556 62.300 0.134 0.000 0.931 114 V CB 1.086 33.011 31.823 0.170 0.000 1.010 114 V HN 1.346 nan 8.190 nan 0.000 0.433 115 A N 3.448 126.221 122.820 -0.078 0.000 2.567 115 A HA 0.946 5.056 4.320 -0.351 0.000 0.289 115 A C -2.674 174.664 177.584 -0.410 0.000 1.177 115 A CA -1.351 50.553 52.037 -0.222 0.000 0.694 115 A CB 1.195 20.085 19.000 -0.183 0.000 1.292 115 A HN 0.542 nan 8.150 nan 0.000 0.425 116 P HA 0.060 nan 4.420 nan 0.000 0.219 116 P C 0.184 177.222 177.300 -0.436 0.000 1.150 116 P CA 1.360 63.927 63.100 -0.887 0.000 0.814 116 P CB 0.259 31.255 31.700 -1.172 0.000 0.787 117 S N -2.092 113.421 115.700 -0.311 0.000 2.579 117 S HA 0.594 4.853 4.470 -0.351 0.000 0.272 117 S C -0.664 173.846 174.600 -0.150 0.000 1.141 117 S CA -0.637 57.445 58.200 -0.197 0.000 0.843 117 S CB 1.659 64.774 63.200 -0.143 0.000 1.122 117 S HN -0.037 nan 8.310 nan 0.000 0.468 118 A N 2.051 124.802 122.820 -0.115 0.000 3.048 118 A HA 0.476 4.585 4.320 -0.351 0.000 0.264 118 A C -0.472 177.084 177.584 -0.045 0.000 1.796 118 A CA 0.085 52.077 52.037 -0.075 0.000 1.445 118 A CB -1.136 17.827 19.000 -0.062 0.000 1.074 118 A HN 0.595 nan 8.150 nan 0.000 0.621 119 L N 1.316 122.511 121.223 -0.046 0.000 2.342 119 L HA 0.313 4.442 4.340 -0.351 0.000 0.276 119 L C 0.319 177.187 176.870 -0.004 0.000 0.997 119 L CA -0.427 54.400 54.840 -0.022 0.000 0.838 119 L CB 1.597 43.641 42.059 -0.025 0.000 1.224 119 L HN 0.678 nan 8.230 nan 0.000 0.416 120 Q N 2.261 122.069 119.800 0.015 0.000 2.361 120 Q HA 0.398 4.527 4.340 -0.351 0.000 0.276 120 Q C -0.040 175.990 176.000 0.050 0.000 1.022 120 Q CA -0.235 55.588 55.803 0.034 0.000 0.898 120 Q CB 1.363 30.121 28.738 0.033 0.000 1.246 120 Q HN 0.727 nan 8.270 nan 0.000 0.410 121 A N 5.025 127.891 122.820 0.078 0.000 2.371 121 A HA 0.305 4.414 4.320 -0.351 0.000 0.257 121 A C -1.937 175.713 177.584 0.109 0.000 1.089 121 A CA -1.365 50.752 52.037 0.134 0.000 0.794 121 A CB 0.181 19.328 19.000 0.245 0.000 1.029 121 A HN 0.785 nan 8.150 nan 0.000 0.488 122 P HA -0.048 nan 4.420 nan 0.000 0.226 122 P C 0.708 178.033 177.300 0.041 0.000 1.153 122 P CA 0.976 64.111 63.100 0.057 0.000 0.777 122 P CB -0.006 31.720 31.700 0.043 0.000 0.794 123 I N -6.622 113.989 120.570 0.068 0.000 3.936 123 I HA 0.409 4.369 4.170 -0.351 0.000 0.330 123 I C -0.153 176.024 176.117 0.099 0.000 1.509 123 I CA -0.370 60.958 61.300 0.047 0.000 1.126 123 I CB 0.046 38.032 38.000 -0.023 0.000 1.115 123 I HN -0.251 nan 8.210 nan 0.000 0.424 124 N N 1.746 120.497 118.700 0.086 0.000 2.258 124 N HA 0.362 4.891 4.740 -0.351 0.000 0.299 124 N C 0.410 175.904 175.510 -0.027 0.000 1.047 124 N CA -0.571 52.517 53.050 0.063 0.000 0.814 124 N CB 1.970 40.507 38.487 0.084 0.000 1.413 124 N HN 0.075 nan 8.380 nan 0.000 0.478 125 R N 1.368 121.754 120.500 -0.190 0.000 2.240 125 R HA 0.252 4.381 4.340 -0.351 0.000 0.203 125 R C 0.012 176.087 176.300 -0.375 0.000 1.011 125 R CA 0.630 56.527 56.100 -0.339 0.000 1.007 125 R CB -0.251 29.743 30.300 -0.511 0.000 0.911 125 R HN 0.307 nan 8.270 nan 0.000 0.468 126 F N -0.172 119.796 119.950 0.030 0.000 2.377 126 F HA 0.367 4.684 4.527 -0.351 0.000 0.328 126 F C 0.481 176.286 175.800 0.007 0.000 1.094 126 F CA -1.711 56.294 58.000 0.009 0.000 1.093 126 F CB 0.896 39.894 39.000 -0.004 0.000 1.214 126 F HN -0.374 nan 8.300 nan 0.000 0.518 127 V N 4.228 124.267 119.914 0.209 0.000 2.370 127 V HA 0.326 4.235 4.120 -0.351 0.000 0.279 127 V C -1.956 174.200 176.094 0.104 0.000 1.029 127 V CA -1.755 60.612 62.300 0.112 0.000 0.870 127 V CB 0.985 32.853 31.823 0.076 0.000 0.984 127 V HN 0.551 nan 8.190 nan 0.000 0.451 128 P HA 0.097 nan 4.420 nan 0.000 0.274 128 P C -0.717 176.617 177.300 0.055 0.000 1.231 128 P CA -0.241 62.893 63.100 0.057 0.000 0.790 128 P CB 0.700 32.407 31.700 0.011 0.000 0.951 129 H N 1.759 120.824 119.070 -0.009 0.000 2.604 129 H HA 0.129 4.474 4.556 -0.351 0.000 0.306 129 H C -0.369 174.933 175.328 -0.044 0.000 1.075 129 H CA -0.336 55.705 56.048 -0.013 0.000 1.357 129 H CB 0.620 30.386 29.762 0.007 0.000 1.426 129 H HN 0.488 nan 8.280 nan 0.000 0.470 130 E N 6.681 126.539 120.200 -0.570 0.000 2.238 130 E HA 0.061 4.200 4.350 -0.351 0.000 0.264 130 E C 0.035 176.281 176.600 -0.590 0.000 1.136 130 E CA -0.442 55.678 56.400 -0.467 0.000 0.929 130 E CB 0.176 29.691 29.700 -0.310 0.000 1.010 130 E HN 0.570 nan 8.360 nan 0.000 0.440 131 L N 3.697 124.733 121.223 -0.311 0.000 2.554 131 L HA -0.086 4.043 4.340 -0.351 0.000 0.293 131 L C 0.770 177.574 176.870 -0.110 0.000 1.252 131 L CA 0.306 55.069 54.840 -0.128 0.000 0.862 131 L CB 0.232 42.212 42.059 -0.132 0.000 1.113 131 L HN 0.618 nan 8.230 nan 0.000 0.510 132 S N 0.306 116.003 115.700 -0.005 0.000 2.651 132 S HA 0.170 4.429 4.470 -0.351 0.000 0.291 132 S C 0.956 175.565 174.600 0.016 0.000 1.141 132 S CA -0.755 57.465 58.200 0.032 0.000 1.027 132 S CB 1.353 64.606 63.200 0.088 0.000 1.043 132 S HN 0.707 nan 8.310 nan 0.000 0.530 133 H N 1.934 121.012 119.070 0.014 0.000 2.289 133 H HA -0.199 4.147 4.556 -0.350 0.000 0.294 133 H C 1.889 177.231 175.328 0.023 0.000 1.095 133 H CA 2.778 58.866 56.048 0.067 0.000 1.256 133 H CB -0.278 29.600 29.762 0.192 0.000 1.359 133 H HN 0.974 nan 8.280 nan 0.000 0.487 134 E N 0.179 120.525 120.200 0.244 0.000 2.204 134 E HA -0.147 3.993 4.350 -0.351 0.000 0.194 134 E C 1.982 178.604 176.600 0.037 0.000 0.989 134 E CA 1.137 57.634 56.400 0.161 0.000 0.824 134 E CB -0.255 29.523 29.700 0.129 0.000 0.756 134 E HN 0.593 nan 8.360 nan 0.000 0.477 135 E N 0.855 121.056 120.200 0.000 0.000 2.106 135 E HA -0.102 4.037 4.350 -0.351 0.000 0.192 135 E C 2.157 178.693 176.600 -0.108 0.000 0.984 135 E CA 1.068 57.451 56.400 -0.028 0.000 0.806 135 E CB -0.082 29.623 29.700 0.007 0.000 0.750 135 E HN 0.390 nan 8.360 nan 0.000 0.458 136 I N 1.043 121.457 120.570 -0.259 0.000 2.252 136 I HA -0.269 3.690 4.170 -0.351 0.000 0.245 136 I C 2.289 178.221 176.117 -0.309 0.000 1.102 136 I CA 0.921 61.930 61.300 -0.485 0.000 1.385 136 I CB -0.240 37.109 38.000 -1.085 0.000 1.064 136 I HN 0.128 nan 8.210 nan 0.000 0.414 137 L N 0.098 121.199 121.223 -0.204 0.000 2.083 137 L HA -0.243 3.886 4.340 -0.351 0.000 0.209 137 L C 2.665 179.539 176.870 0.007 0.000 1.083 137 L CA 1.275 56.093 54.840 -0.036 0.000 0.752 137 L CB -0.590 41.507 42.059 0.063 0.000 0.899 137 L HN 0.287 nan 8.230 nan 0.000 0.433 138 Q N 0.442 120.244 119.800 0.004 0.000 2.079 138 Q HA -0.142 3.988 4.340 -0.351 0.000 0.200 138 Q C 2.185 178.220 176.000 0.059 0.000 0.974 138 Q CA 1.497 57.317 55.803 0.028 0.000 0.840 138 Q CB -0.282 28.468 28.738 0.019 0.000 0.898 138 Q HN 0.422 nan 8.270 nan 0.000 0.430 139 L N -0.373 120.890 121.223 0.067 0.000 2.046 139 L HA -0.180 3.949 4.340 -0.351 0.000 0.208 139 L C 2.175 179.218 176.870 0.288 0.000 1.077 139 L CA 1.143 56.093 54.840 0.183 0.000 0.747 139 L CB -0.301 41.863 42.059 0.175 0.000 0.896 139 L HN 0.323 nan 8.230 nan 0.000 0.432 140 I N -0.464 120.202 120.570 0.160 0.000 2.264 140 I HA -0.336 3.624 4.170 -0.351 0.000 0.248 140 I C 2.241 178.412 176.117 0.090 0.000 1.111 140 I CA 1.427 62.759 61.300 0.054 0.000 1.382 140 I CB -0.389 37.600 38.000 -0.019 0.000 1.060 140 I HN 0.368 nan 8.210 nan 0.000 0.418 141 D N 0.776 121.225 120.400 0.082 0.000 2.224 141 D HA -0.147 4.283 4.640 -0.351 0.000 0.205 141 D C 1.762 178.110 176.300 0.079 0.000 0.965 141 D CA 0.898 54.935 54.000 0.061 0.000 0.852 141 D CB -0.039 40.785 40.800 0.040 0.000 0.947 141 D HN 0.257 nan 8.370 nan 0.000 0.494 142 N N -0.056 118.710 118.700 0.110 0.000 2.188 142 N HA -0.121 4.408 4.740 -0.351 0.000 0.184 142 N C 1.728 177.271 175.510 0.056 0.000 1.018 142 N CA 0.516 53.606 53.050 0.067 0.000 0.858 142 N CB -0.582 37.938 38.487 0.055 0.000 0.989 142 N HN 0.235 nan 8.380 nan 0.000 0.426 143 F N 1.458 121.395 119.950 -0.021 0.000 2.134 143 F HA -0.076 4.243 4.527 -0.347 0.000 0.299 143 F C 2.364 178.139 175.800 -0.043 0.000 1.097 143 F CA 1.060 59.039 58.000 -0.035 0.000 1.264 143 F CB -0.550 38.405 39.000 -0.074 0.000 1.001 143 F HN 0.012 nan 8.300 nan 0.000 0.479 144 A N -0.037 122.871 122.820 0.146 0.000 1.902 144 A HA -0.223 3.887 4.320 -0.351 0.000 0.217 144 A C 2.312 179.900 177.584 0.006 0.000 1.181 144 A CA 1.778 53.845 52.037 0.051 0.000 0.623 144 A CB -0.826 18.188 19.000 0.022 0.000 0.818 144 A HN 0.341 nan 8.150 nan 0.000 0.443 145 R N -0.698 119.805 120.500 0.004 0.000 2.083 145 R HA -0.203 3.926 4.340 -0.351 0.000 0.237 145 R C 2.323 178.598 176.300 -0.042 0.000 1.137 145 R CA 1.964 58.050 56.100 -0.022 0.000 0.951 145 R CB -0.961 29.328 30.300 -0.018 0.000 0.851 145 R HN 0.561 nan 8.270 nan 0.000 0.434 146 C N 0.323 119.590 119.300 -0.054 0.000 2.413 146 C HA -0.084 4.165 4.460 -0.351 0.000 0.276 146 C C 2.944 177.890 174.990 -0.073 0.000 1.236 146 C CA 1.229 60.193 59.018 -0.090 0.000 1.735 146 C CB -1.097 26.552 27.740 -0.152 0.000 2.031 146 C HN 0.705 nan 8.230 nan 0.000 0.474 147 A N -0.967 121.833 122.820 -0.033 0.000 1.898 147 A HA -0.227 3.882 4.320 -0.351 0.000 0.216 147 A C 2.175 179.697 177.584 -0.103 0.000 1.181 147 A CA 1.816 53.844 52.037 -0.016 0.000 0.620 147 A CB -0.907 18.113 19.000 0.034 0.000 0.819 147 A HN 0.813 nan 8.150 nan 0.000 0.442 148 Q N -0.379 119.356 119.800 -0.109 0.000 2.061 148 Q HA -0.184 3.946 4.340 -0.351 0.000 0.204 148 Q C 2.035 177.981 176.000 -0.089 0.000 0.984 148 Q CA 1.760 57.484 55.803 -0.132 0.000 0.846 148 Q CB -0.251 28.434 28.738 -0.089 0.000 0.902 148 Q HN 0.701 nan 8.270 nan 0.000 0.421 149 L N -0.050 121.140 121.223 -0.055 0.000 2.017 149 L HA -0.195 3.935 4.340 -0.351 0.000 0.208 149 L C 2.600 179.482 176.870 0.020 0.000 1.073 149 L CA 1.073 55.900 54.840 -0.022 0.000 0.745 149 L CB -0.659 41.379 42.059 -0.035 0.000 0.894 149 L HN 0.284 nan 8.230 nan 0.000 0.432 150 A N 0.150 122.973 122.820 0.006 0.000 1.883 150 A HA -0.283 3.826 4.320 -0.351 0.000 0.217 150 A C 2.434 180.211 177.584 0.322 0.000 1.186 150 A CA 2.094 54.212 52.037 0.135 0.000 0.624 150 A CB -0.662 18.317 19.000 -0.034 0.000 0.822 150 A HN 0.382 nan 8.150 nan 0.000 0.444 151 R N -0.618 119.961 120.500 0.130 0.000 2.081 151 R HA -0.194 3.935 4.340 -0.351 0.000 0.235 151 R C 2.085 178.435 176.300 0.083 0.000 1.131 151 R CA 1.856 57.993 56.100 0.062 0.000 0.960 151 R CB -0.245 29.787 30.300 -0.448 0.000 0.856 151 R HN 0.486 nan 8.270 nan 0.000 0.436 152 E N 0.352 120.574 120.200 0.037 0.000 2.110 152 E HA -0.097 4.043 4.350 -0.351 0.000 0.193 152 E C 1.531 178.182 176.600 0.085 0.000 0.988 152 E CA 1.533 57.958 56.400 0.041 0.000 0.804 152 E CB -0.152 29.561 29.700 0.022 0.000 0.745 152 E HN 0.467 nan 8.360 nan 0.000 0.458 153 A N -0.764 122.138 122.820 0.137 0.000 2.216 153 A HA 0.211 4.320 4.320 -0.351 0.000 0.214 153 A C 1.744 179.365 177.584 0.062 0.000 1.160 153 A CA 1.209 53.328 52.037 0.137 0.000 0.725 153 A CB -0.636 18.513 19.000 0.248 0.000 0.784 153 A HN 0.472 nan 8.150 nan 0.000 0.472 154 G N -2.941 105.932 108.800 0.122 0.000 2.144 154 G HA2 -0.254 3.496 3.960 -0.351 0.000 0.218 154 G HA3 -0.254 3.496 3.960 -0.351 0.000 0.218 154 G C -0.013 174.985 174.900 0.162 0.000 0.988 154 G CA 0.037 45.216 45.100 0.132 0.000 0.659 154 G HN 0.408 nan 8.290 nan 0.000 0.522 155 Y N 0.874 121.294 120.300 0.200 0.000 2.379 155 Y HA 0.264 4.931 4.550 0.195 0.000 0.337 155 Y C 1.661 177.688 175.900 0.213 0.000 1.238 155 Y CA 0.566 58.766 58.100 0.166 0.000 1.405 155 Y CB 0.586 39.130 38.460 0.139 0.000 1.310 155 Y HN 0.107 nan 8.280 nan 0.000 0.569 156 D N 0.857 121.409 120.400 0.253 0.000 2.347 156 D HA 0.143 4.572 4.640 -0.351 0.000 0.213 156 D C 0.713 176.798 176.300 -0.358 0.000 0.985 156 D CA 0.926 54.970 54.000 0.074 0.000 0.879 156 D CB 0.490 41.341 40.800 0.085 0.000 0.919 156 D HN 0.769 nan 8.370 nan 0.000 0.526 157 G N -0.143 108.347 108.800 -0.517 0.000 2.341 157 G HA2 0.391 4.140 3.960 -0.351 0.000 0.299 157 G HA3 0.391 4.140 3.960 -0.351 0.000 0.299 157 G C -1.587 173.048 174.900 -0.442 0.000 1.274 157 G CA -0.141 44.239 45.100 -1.200 0.000 0.853 157 G HN 0.109 nan 8.290 nan 0.000 0.493 158 V N -2.910 116.848 119.914 -0.261 0.000 3.114 158 V HA 0.908 4.817 4.120 -0.351 0.000 0.308 158 V C -0.908 175.170 176.094 -0.027 0.000 1.168 158 V CA -0.875 61.391 62.300 -0.056 0.000 1.015 158 V CB 1.922 33.813 31.823 0.113 0.000 1.050 158 V HN 1.086 nan 8.190 nan 0.000 0.433 159 E N 1.414 121.603 120.200 -0.018 0.000 2.165 159 E HA 0.639 4.779 4.350 -0.351 0.000 0.266 159 E C -1.582 175.049 176.600 0.051 0.000 0.889 159 E CA -0.760 55.646 56.400 0.009 0.000 0.756 159 E CB 2.192 31.882 29.700 -0.017 0.000 1.131 159 E HN 0.729 nan 8.360 nan 0.000 0.411 160 V N 5.783 125.758 119.914 0.103 0.000 2.368 160 V HA 0.129 4.038 4.120 -0.351 0.000 0.266 160 V C 0.240 176.367 176.094 0.054 0.000 1.045 160 V CA -0.490 61.913 62.300 0.171 0.000 0.899 160 V CB 0.754 32.723 31.823 0.242 0.000 1.006 160 V HN 0.761 nan 8.190 nan 0.000 0.470 161 M N 5.650 125.293 119.600 0.072 0.000 2.264 161 M HA 0.472 4.742 4.480 -0.351 0.000 0.340 161 M C 0.725 177.024 176.300 -0.002 0.000 1.420 161 M CA -0.258 55.036 55.300 -0.011 0.000 1.254 161 M CB 0.273 32.895 32.600 0.038 0.000 1.575 161 M HN 0.472 nan 8.290 nan 0.000 0.452 162 G N 3.025 111.689 108.800 -0.227 0.000 3.805 162 G HA2 0.422 4.172 3.960 -0.351 0.000 0.290 162 G HA3 0.422 4.172 3.960 -0.351 0.000 0.290 162 G C -0.103 174.765 174.900 -0.053 0.000 1.077 162 G CA 0.256 45.302 45.100 -0.089 0.000 0.852 162 G HN 0.832 nan 8.290 nan 0.000 0.531 163 S N -1.424 114.249 115.700 -0.044 0.000 2.971 163 S HA 0.623 4.883 4.470 -0.351 0.000 0.320 163 S C 0.369 174.896 174.600 -0.122 0.000 1.111 163 S CA 0.067 58.236 58.200 -0.052 0.000 0.870 163 S CB 1.714 64.876 63.200 -0.064 0.000 1.331 163 S HN 0.103 nan 8.310 nan 0.000 0.635 164 E N -0.228 119.850 120.200 -0.203 0.000 3.253 164 E HA -0.160 3.979 4.350 -0.351 0.000 0.284 164 E C 0.861 176.967 176.600 -0.823 0.000 0.958 164 E CA 2.098 58.245 56.400 -0.421 0.000 0.917 164 E CB -1.642 27.791 29.700 -0.446 0.000 1.466 164 E HN 2.094 nan 8.360 nan 0.000 0.455 165 G N -2.561 105.516 108.800 -1.206 0.000 2.141 165 G HA2 -0.365 3.385 3.960 -0.351 0.000 0.242 165 G HA3 -0.365 3.385 3.960 -0.351 0.000 0.242 165 G C 0.171 174.349 174.900 -1.203 0.000 0.982 165 G CA 0.243 44.159 45.100 -1.972 0.000 0.662 165 G HN 0.282 nan 8.290 nan 0.000 0.527 166 Y N -1.028 118.989 120.300 -0.472 0.000 2.262 166 Y HA 0.544 4.887 4.550 -0.346 0.000 0.368 166 Y C 1.923 177.718 175.900 -0.177 0.000 1.352 166 Y CA -0.385 57.575 58.100 -0.232 0.000 1.760 166 Y CB -0.355 38.103 38.460 -0.002 0.000 1.627 166 Y HN 0.077 nan 8.280 nan 0.000 0.606 167 L N 0.706 122.072 121.223 0.238 0.000 1.957 167 L HA -0.303 3.827 4.340 -0.351 0.000 0.228 167 L C 2.038 179.103 176.870 0.325 0.000 1.086 167 L CA 1.933 56.902 54.840 0.216 0.000 0.796 167 L CB -1.089 41.122 42.059 0.253 0.000 0.900 167 L HN 0.717 nan 8.230 nan 0.000 0.439 168 I N -0.514 120.302 120.570 0.411 0.000 2.145 168 I HA -0.410 3.550 4.170 -0.351 0.000 0.244 168 I C 2.411 178.726 176.117 0.330 0.000 1.075 168 I CA 2.122 63.684 61.300 0.436 0.000 1.332 168 I CB -0.600 37.536 38.000 0.226 0.000 1.033 168 I HN 0.553 nan 8.210 nan 0.000 0.410 169 N N 0.527 119.331 118.700 0.172 0.000 2.104 169 N HA -0.238 4.291 4.740 -0.351 0.000 0.190 169 N C 1.753 177.327 175.510 0.107 0.000 1.024 169 N CA 1.323 54.432 53.050 0.098 0.000 0.853 169 N CB 0.061 38.471 38.487 -0.128 0.000 1.008 169 N HN 0.391 nan 8.380 nan 0.000 0.424 170 E N -0.381 119.799 120.200 -0.033 0.000 2.110 170 E HA -0.183 3.956 4.350 -0.351 0.000 0.193 170 E C 1.549 178.171 176.600 0.037 0.000 0.988 170 E CA 0.935 57.298 56.400 -0.062 0.000 0.804 170 E CB -0.151 29.407 29.700 -0.235 0.000 0.745 170 E HN 0.434 nan 8.360 nan 0.000 0.458 171 F N 0.727 120.695 119.950 0.029 0.000 2.216 171 F HA -0.132 4.184 4.527 -0.351 0.000 0.300 171 F C 1.978 177.839 175.800 0.102 0.000 1.085 171 F CA 0.906 58.931 58.000 0.042 0.000 1.326 171 F CB -0.050 38.987 39.000 0.062 0.000 1.027 171 F HN -0.021 nan 8.300 nan 0.000 0.497 172 L N -0.712 120.707 121.223 0.325 0.000 2.109 172 L HA -0.070 4.059 4.340 -0.351 0.000 0.207 172 L C 1.160 178.219 176.870 0.315 0.000 1.086 172 L CA 0.922 55.938 54.840 0.293 0.000 0.760 172 L CB -1.047 41.203 42.059 0.319 0.000 0.910 172 L HN 0.087 nan 8.230 nan 0.000 0.437 173 T N -2.519 112.208 114.554 0.289 0.000 2.875 173 T HA 0.365 4.505 4.350 -0.351 0.000 0.284 173 T C 0.861 175.654 174.700 0.156 0.000 0.995 173 T CA -0.652 61.588 62.100 0.232 0.000 1.060 173 T CB 1.728 70.750 68.868 0.257 0.000 0.967 173 T HN 0.020 nan 8.240 nan 0.000 0.476 174 L N 1.089 122.378 121.223 0.109 0.000 2.622 174 L HA 0.100 4.229 4.340 -0.351 0.000 0.233 174 L C 2.855 179.750 176.870 0.042 0.000 1.156 174 L CA 0.466 55.346 54.840 0.068 0.000 0.866 174 L CB -0.449 41.642 42.059 0.053 0.000 0.980 174 L HN 0.755 nan 8.230 nan 0.000 0.448 175 R N 0.400 120.927 120.500 0.045 0.000 2.153 175 R HA -0.102 4.027 4.340 -0.351 0.000 0.218 175 R C 1.801 178.140 176.300 0.065 0.000 1.072 175 R CA 1.789 57.901 56.100 0.022 0.000 0.990 175 R CB 0.130 30.395 30.300 -0.057 0.000 0.889 175 R HN 0.418 nan 8.270 nan 0.000 0.452 176 T N -3.342 111.272 114.554 0.100 0.000 2.958 176 T HA 0.133 4.273 4.350 -0.351 0.000 0.256 176 T C 0.352 175.022 174.700 -0.050 0.000 0.983 176 T CA -0.478 61.649 62.100 0.045 0.000 0.924 176 T CB 0.126 69.040 68.868 0.076 0.000 1.136 176 T HN -0.042 nan 8.240 nan 0.000 0.506 177 N N 1.823 120.509 118.700 -0.024 0.000 2.511 177 N HA 0.248 4.778 4.740 -0.351 0.000 0.249 177 N C -0.255 175.244 175.510 -0.019 0.000 0.971 177 N CA -0.242 52.767 53.050 -0.068 0.000 0.938 177 N CB 1.364 39.832 38.487 -0.031 0.000 1.131 177 N HN 0.122 nan 8.380 nan 0.000 0.505 178 Q N 2.098 121.874 119.800 -0.039 0.000 2.157 178 Q HA 0.221 4.350 4.340 -0.351 0.000 0.229 178 Q C -0.190 175.806 176.000 -0.006 0.000 0.827 178 Q CA -0.209 55.586 55.803 -0.013 0.000 1.055 178 Q CB 0.779 29.506 28.738 -0.018 0.000 1.157 178 Q HN 0.481 nan 8.270 nan 0.000 0.482 179 R N -0.085 120.414 120.500 -0.002 0.000 2.694 179 R HA 0.176 4.305 4.340 -0.351 0.000 0.268 179 R C 0.886 177.215 176.300 0.048 0.000 1.061 179 R CA 0.243 56.359 56.100 0.027 0.000 1.133 179 R CB 0.495 30.835 30.300 0.068 0.000 1.020 179 R HN -0.067 nan 8.270 nan 0.000 0.475 180 S N 0.096 115.826 115.700 0.050 0.000 2.523 180 S HA -0.005 4.254 4.470 -0.351 0.000 0.217 180 S C 0.141 174.778 174.600 0.061 0.000 0.996 180 S CA -0.224 58.003 58.200 0.045 0.000 0.921 180 S CB 0.119 63.338 63.200 0.031 0.000 0.829 180 S HN 0.577 nan 8.310 nan 0.000 0.495 181 D N 2.289 122.749 120.400 0.100 0.000 2.273 181 D HA -0.021 4.408 4.640 -0.351 0.000 0.247 181 D C 1.485 177.844 176.300 0.099 0.000 1.313 181 D CA 0.226 54.316 54.000 0.150 0.000 0.974 181 D CB 0.404 41.371 40.800 0.278 0.000 1.157 181 D HN 0.265 nan 8.370 nan 0.000 0.533 182 Q N -0.653 119.179 119.800 0.053 0.000 2.444 182 Q HA 0.013 4.142 4.340 -0.351 0.000 0.206 182 Q C 0.502 176.302 176.000 -0.332 0.000 0.948 182 Q CA 0.466 56.163 55.803 -0.177 0.000 0.946 182 Q CB -0.037 28.526 28.738 -0.291 0.000 1.027 182 Q HN 0.535 nan 8.270 nan 0.000 0.513 183 W N 0.646 121.980 121.300 0.057 0.000 3.132 183 W HA 0.501 4.951 4.660 -0.351 0.000 0.364 183 W C 0.636 177.223 176.519 0.112 0.000 1.129 183 W CA -0.101 57.291 57.345 0.079 0.000 1.815 183 W CB 0.928 30.464 29.460 0.127 0.000 1.099 183 W HN 0.195 nan 8.180 nan 0.000 0.605 184 G N -1.094 107.829 108.800 0.205 0.000 2.921 184 G HA2 0.603 4.352 3.960 -0.351 0.000 0.291 184 G HA3 0.603 4.352 3.960 -0.351 0.000 0.291 184 G C 0.322 175.270 174.900 0.080 0.000 1.370 184 G CA 0.028 45.213 45.100 0.141 0.000 0.847 184 G HN 0.370 nan 8.290 nan 0.000 0.532 185 G N 0.040 108.882 108.800 0.071 0.000 2.742 185 G HA2 -0.068 3.682 3.960 -0.351 0.000 0.255 185 G HA3 -0.068 3.682 3.960 -0.351 0.000 0.255 185 G C 0.188 175.129 174.900 0.068 0.000 1.322 185 G CA 0.715 45.848 45.100 0.054 0.000 0.967 185 G HN 1.494 nan 8.290 nan 0.000 0.556 186 D N 0.645 121.079 120.400 0.056 0.000 2.358 186 D HA 0.281 4.710 4.640 -0.351 0.000 0.244 186 D C 1.189 177.559 176.300 0.116 0.000 1.163 186 D CA 0.008 54.057 54.000 0.082 0.000 0.945 186 D CB 0.915 41.748 40.800 0.055 0.000 1.152 186 D HN 0.397 nan 8.370 nan 0.000 0.451 187 Y N 1.113 121.423 120.300 0.017 0.000 2.256 187 Y HA -0.187 4.152 4.550 -0.351 0.000 0.288 187 Y C 2.451 178.359 175.900 0.013 0.000 1.155 187 Y CA 1.635 59.749 58.100 0.023 0.000 1.203 187 Y CB -0.007 38.461 38.460 0.013 0.000 0.980 187 Y HN 0.380 nan 8.280 nan 0.000 0.530 188 R N -0.398 120.092 120.500 -0.017 0.000 2.120 188 R HA -0.168 3.961 4.340 -0.351 0.000 0.234 188 R C 1.779 177.987 176.300 -0.154 0.000 1.123 188 R CA 1.343 57.381 56.100 -0.104 0.000 0.975 188 R CB -0.296 29.976 30.300 -0.047 0.000 0.866 188 R HN 0.400 nan 8.270 nan 0.000 0.446 189 N N 0.539 119.174 118.700 -0.108 0.000 2.250 189 N HA -0.057 4.472 4.740 -0.351 0.000 0.181 189 N C 1.651 177.130 175.510 -0.052 0.000 1.017 189 N CA 0.817 53.798 53.050 -0.115 0.000 0.866 189 N CB -0.063 38.383 38.487 -0.069 0.000 0.985 189 N HN 0.194 nan 8.380 nan 0.000 0.429 190 R N 0.297 120.767 120.500 -0.051 0.000 2.115 190 R HA 0.109 4.239 4.340 -0.351 0.000 0.230 190 R C 1.985 178.244 176.300 -0.067 0.000 1.111 190 R CA 0.893 57.004 56.100 0.017 0.000 0.976 190 R CB -0.056 30.259 30.300 0.026 0.000 0.870 190 R HN 0.218 nan 8.270 nan 0.000 0.445 191 M N -0.615 118.802 119.600 -0.306 0.000 2.419 191 M HA -0.050 4.219 4.480 -0.351 0.000 0.264 191 M C 2.170 178.383 176.300 -0.144 0.000 1.082 191 M CA 0.819 55.943 55.300 -0.293 0.000 1.119 191 M CB -0.046 32.296 32.600 -0.430 0.000 1.398 191 M HN 0.049 nan 8.290 nan 0.000 0.453 192 R N 0.337 120.773 120.500 -0.107 0.000 2.134 192 R HA -0.251 3.879 4.340 -0.351 0.000 0.248 192 R C 2.046 178.401 176.300 0.090 0.000 1.143 192 R CA 2.093 58.139 56.100 -0.091 0.000 0.957 192 R CB -0.438 29.690 30.300 -0.286 0.000 0.867 192 R HN 0.294 nan 8.270 nan 0.000 0.441 193 F N 0.697 120.664 119.950 0.029 0.000 2.075 193 F HA -0.131 4.186 4.527 -0.350 0.000 0.297 193 F C 2.220 177.852 175.800 -0.280 0.000 1.113 193 F CA 1.519 59.404 58.000 -0.192 0.000 1.218 193 F CB -0.835 37.683 39.000 -0.804 0.000 0.984 193 F HN 0.134 nan 8.300 nan 0.000 0.472 194 A N -0.207 122.422 122.820 -0.318 0.000 1.883 194 A HA -0.144 3.966 4.320 -0.351 0.000 0.217 194 A C 2.345 179.663 177.584 -0.442 0.000 1.186 194 A CA 2.182 53.969 52.037 -0.417 0.000 0.624 194 A CB -1.406 17.469 19.000 -0.208 0.000 0.822 194 A HN 0.271 nan 8.150 nan 0.000 0.444 195 V N -0.238 119.481 119.914 -0.325 0.000 2.343 195 V HA -0.219 3.691 4.120 -0.351 0.000 0.247 195 V C 2.553 178.497 176.094 -0.251 0.000 1.051 195 V CA 2.347 64.478 62.300 -0.281 0.000 1.036 195 V CB -0.777 30.921 31.823 -0.208 0.000 0.654 195 V HN 0.576 nan 8.190 nan 0.000 0.451 196 E N 0.024 120.090 120.200 -0.224 0.000 2.153 196 E HA -0.141 3.999 4.350 -0.351 0.000 0.194 196 E C 2.064 178.503 176.600 -0.268 0.000 0.988 196 E CA 1.002 57.299 56.400 -0.173 0.000 0.811 196 E CB -0.343 29.338 29.700 -0.031 0.000 0.746 196 E HN 0.393 nan 8.360 nan 0.000 0.466 197 V N -0.557 119.066 119.914 -0.485 0.000 2.270 197 V HA -0.228 3.681 4.120 -0.351 0.000 0.245 197 V C 2.240 178.145 176.094 -0.316 0.000 1.043 197 V CA 1.554 63.510 62.300 -0.573 0.000 1.014 197 V CB -0.390 30.798 31.823 -1.059 0.000 0.645 197 V HN 0.148 nan 8.190 nan 0.000 0.447 198 V N 0.025 119.769 119.914 -0.283 0.000 2.407 198 V HA -0.248 3.661 4.120 -0.351 0.000 0.248 198 V C 2.515 178.544 176.094 -0.110 0.000 1.055 198 V CA 2.318 64.524 62.300 -0.158 0.000 1.049 198 V CB -0.818 30.891 31.823 -0.190 0.000 0.662 198 V HN 0.506 nan 8.190 nan 0.000 0.455 199 R N 0.295 120.715 120.500 -0.132 0.000 2.092 199 R HA -0.091 4.038 4.340 -0.351 0.000 0.231 199 R C 2.220 178.479 176.300 -0.069 0.000 1.119 199 R CA 1.477 57.522 56.100 -0.091 0.000 0.970 199 R CB -0.349 29.893 30.300 -0.096 0.000 0.864 199 R HN 0.474 nan 8.270 nan 0.000 0.440 200 A N 0.065 122.837 122.820 -0.080 0.000 1.929 200 A HA -0.028 4.081 4.320 -0.351 0.000 0.216 200 A C 2.154 179.718 177.584 -0.033 0.000 1.176 200 A CA 1.145 53.151 52.037 -0.051 0.000 0.628 200 A CB -0.238 18.730 19.000 -0.052 0.000 0.816 200 A HN 0.206 nan 8.150 nan 0.000 0.444 201 V N 0.145 120.043 119.914 -0.027 0.000 2.307 201 V HA -0.206 3.703 4.120 -0.351 0.000 0.245 201 V C 2.654 178.749 176.094 0.001 0.000 1.045 201 V CA 2.229 64.534 62.300 0.008 0.000 1.024 201 V CB -0.788 31.067 31.823 0.054 0.000 0.651 201 V HN 0.618 nan 8.190 nan 0.000 0.449 202 R N 0.886 121.387 120.500 0.002 0.000 2.083 202 R HA -0.206 3.924 4.340 -0.351 0.000 0.237 202 R C 2.249 178.533 176.300 -0.027 0.000 1.137 202 R CA 2.260 58.362 56.100 0.005 0.000 0.951 202 R CB -0.831 29.469 30.300 -0.001 0.000 0.851 202 R HN 0.634 nan 8.270 nan 0.000 0.434 203 E N -0.478 119.702 120.200 -0.034 0.000 2.085 203 E HA -0.267 3.873 4.350 -0.351 0.000 0.194 203 E C 1.997 178.563 176.600 -0.056 0.000 0.994 203 E CA 1.399 57.774 56.400 -0.041 0.000 0.801 203 E CB -0.094 29.585 29.700 -0.036 0.000 0.743 203 E HN 0.138 nan 8.360 nan 0.000 0.453 204 R N 0.169 120.633 120.500 -0.061 0.000 2.092 204 R HA -0.114 4.015 4.340 -0.351 0.000 0.231 204 R C 2.280 178.498 176.300 -0.136 0.000 1.119 204 R CA 1.609 57.660 56.100 -0.083 0.000 0.970 204 R CB -0.230 30.027 30.300 -0.072 0.000 0.864 204 R HN 0.274 nan 8.270 nan 0.000 0.440 205 V N -3.240 116.568 119.914 -0.176 0.000 3.590 205 V HA 0.466 4.375 4.120 -0.351 0.000 0.265 205 V C 0.851 176.816 176.094 -0.216 0.000 1.239 205 V CA 0.412 62.525 62.300 -0.311 0.000 1.117 205 V CB -0.394 31.066 31.823 -0.604 0.000 0.818 205 V HN 0.476 nan 8.190 nan 0.000 0.451 206 G N 1.230 109.955 108.800 -0.125 0.000 2.728 206 G HA2 -0.254 3.496 3.960 -0.351 0.000 0.294 206 G HA3 -0.254 3.496 3.960 -0.351 0.000 0.294 206 G C -0.049 174.794 174.900 -0.096 0.000 1.342 206 G CA 0.240 45.279 45.100 -0.101 0.000 0.866 206 G HN 0.418 nan 8.290 nan 0.000 0.534 207 N N -0.258 118.369 118.700 -0.121 0.000 2.333 207 N HA 0.018 4.548 4.740 -0.351 0.000 0.178 207 N C 0.540 175.771 175.510 -0.464 0.000 1.018 207 N CA 0.525 53.472 53.050 -0.171 0.000 0.882 207 N CB 0.233 38.660 38.487 -0.102 0.000 0.984 207 N HN 0.481 nan 8.380 nan 0.000 0.434 208 D N 0.381 120.497 120.400 -0.474 0.000 2.934 208 D HA 0.082 4.512 4.640 -0.351 0.000 0.237 208 D C -1.296 174.670 176.300 -0.556 0.000 1.158 208 D CA 0.360 53.862 54.000 -0.830 0.000 0.971 208 D CB -0.348 40.262 40.800 -0.318 0.000 1.123 208 D HN 0.152 nan 8.370 nan 0.000 0.467 209 F N 0.748 120.208 119.950 -0.816 0.000 2.605 209 F HA 0.312 4.612 4.527 -0.378 0.000 0.320 209 F C -0.597 175.213 175.800 0.017 0.000 1.159 209 F CA -0.948 56.907 58.000 -0.242 0.000 0.999 209 F CB 1.262 40.183 39.000 -0.133 0.000 1.258 209 F HN -0.178 nan 8.300 nan 0.000 0.464 210 I N 6.823 127.301 120.570 -0.154 0.000 2.587 210 I HA 0.140 4.099 4.170 -0.351 0.000 0.284 210 I C -0.342 175.692 176.117 -0.139 0.000 1.134 210 I CA 0.471 61.782 61.300 0.017 0.000 1.410 210 I CB 0.378 38.348 38.000 -0.050 0.000 1.392 210 I HN 0.392 nan 8.210 nan 0.000 0.545 211 I N 8.054 128.650 120.570 0.044 0.000 2.382 211 I HA 0.402 4.361 4.170 -0.351 0.000 0.286 211 I C -0.218 175.939 176.117 0.067 0.000 1.002 211 I CA -0.434 60.904 61.300 0.062 0.000 1.135 211 I CB 1.348 39.419 38.000 0.120 0.000 1.288 211 I HN 0.405 nan 8.210 nan 0.000 0.448 212 I N 6.211 126.812 120.570 0.051 0.000 2.412 212 I HA 0.287 4.247 4.170 -0.351 0.000 0.296 212 I C -1.030 175.158 176.117 0.118 0.000 0.987 212 I CA -0.863 60.474 61.300 0.063 0.000 1.180 212 I CB 1.692 39.700 38.000 0.013 0.000 1.340 212 I HN 0.438 nan 8.210 nan 0.000 0.455 213 Y N 5.946 126.250 120.300 0.006 0.000 2.326 213 Y HA 0.421 4.760 4.550 -0.352 0.000 0.331 213 Y C -0.193 175.714 175.900 0.013 0.000 0.962 213 Y CA -1.010 57.092 58.100 0.004 0.000 1.167 213 Y CB 1.074 39.529 38.460 -0.009 0.000 1.148 213 Y HN 0.469 nan 8.280 nan 0.000 0.463 214 R N 6.932 127.091 120.500 -0.568 0.000 2.308 214 R HA 0.324 4.454 4.340 -0.351 0.000 0.325 214 R C -1.284 174.629 176.300 -0.645 0.000 1.161 214 R CA -0.591 55.260 56.100 -0.415 0.000 1.022 214 R CB -0.080 30.083 30.300 -0.228 0.000 1.091 214 R HN 0.766 nan 8.270 nan 0.000 0.497 215 L N 3.107 124.114 121.223 -0.359 0.000 2.331 215 L HA 0.199 4.329 4.340 -0.351 0.000 0.278 215 L C -0.165 176.688 176.870 -0.028 0.000 1.106 215 L CA 0.490 55.272 54.840 -0.097 0.000 0.824 215 L CB 1.743 43.909 42.059 0.177 0.000 1.142 215 L HN 0.443 nan 8.230 nan 0.000 0.443 216 S N 5.287 121.010 115.700 0.039 0.000 2.400 216 S HA 0.287 4.546 4.470 -0.351 0.000 0.295 216 S C 0.851 175.500 174.600 0.082 0.000 1.113 216 S CA -0.396 57.842 58.200 0.063 0.000 1.064 216 S CB 0.117 63.404 63.200 0.146 0.000 0.990 216 S HN 0.813 nan 8.310 nan 0.000 0.502 217 M N 4.207 123.828 119.600 0.034 0.000 2.441 217 M HA 0.298 4.567 4.480 -0.351 0.000 0.244 217 M C -0.455 175.866 176.300 0.034 0.000 1.122 217 M CA 0.215 55.545 55.300 0.051 0.000 1.041 217 M CB 0.390 33.010 32.600 0.034 0.000 1.438 217 M HN 0.473 nan 8.290 nan 0.000 0.484 218 L N 0.354 121.569 121.223 -0.013 0.000 2.549 218 L HA 0.294 4.423 4.340 -0.351 0.000 0.260 218 L C -0.137 176.713 176.870 -0.033 0.000 1.109 218 L CA -0.007 54.813 54.840 -0.034 0.000 0.900 218 L CB 0.427 42.411 42.059 -0.124 0.000 1.119 218 L HN -0.098 nan 8.230 nan 0.000 0.471 219 D N 2.532 122.924 120.400 -0.013 0.000 2.104 219 D HA -0.109 4.321 4.640 -0.351 0.000 0.194 219 D C 1.217 177.371 176.300 -0.243 0.000 0.994 219 D CA 1.448 55.385 54.000 -0.106 0.000 0.830 219 D CB 0.243 40.885 40.800 -0.264 0.000 0.959 219 D HN 0.457 nan 8.370 nan 0.000 0.452 220 L N -1.518 119.595 121.223 -0.182 0.000 4.351 220 L HA -0.181 3.949 4.340 -0.351 0.000 0.410 220 L C -0.385 176.360 176.870 -0.207 0.000 1.150 220 L CA 0.452 55.216 54.840 -0.125 0.000 0.961 220 L CB -1.828 40.197 42.059 -0.056 0.000 2.130 220 L HN 0.021 nan 8.230 nan 0.000 0.787 221 V N -3.870 115.820 119.914 -0.374 0.000 2.962 221 V HA 0.844 4.753 4.120 -0.351 0.000 0.313 221 V C 0.591 176.497 176.094 -0.314 0.000 1.099 221 V CA -1.343 60.716 62.300 -0.401 0.000 0.971 221 V CB 2.077 33.456 31.823 -0.740 0.000 1.028 221 V HN 0.135 nan 8.190 nan 0.000 0.430 222 E N 1.355 121.430 120.200 -0.208 0.000 2.452 222 E HA 0.274 4.414 4.350 -0.351 0.000 0.261 222 E C -0.057 176.443 176.600 -0.167 0.000 0.987 222 E CA 1.251 57.566 56.400 -0.141 0.000 0.926 222 E CB -0.060 29.586 29.700 -0.090 0.000 0.934 222 E HN 0.963 nan 8.360 nan 0.000 0.452 223 D N 0.088 120.418 120.400 -0.117 0.000 3.068 223 D HA -0.147 4.282 4.640 -0.351 0.000 0.218 223 D C 0.516 176.745 176.300 -0.117 0.000 1.145 223 D CA 1.157 55.102 54.000 -0.092 0.000 0.896 223 D CB -1.105 39.654 40.800 -0.069 0.000 1.105 223 D HN 0.542 nan 8.370 nan 0.000 0.423 224 G N -0.605 108.091 108.800 -0.173 0.000 2.516 224 G HA2 0.549 4.299 3.960 -0.351 0.000 0.276 224 G HA3 0.549 4.299 3.960 -0.351 0.000 0.276 224 G C 0.822 175.690 174.900 -0.053 0.000 1.390 224 G CA -0.207 44.789 45.100 -0.174 0.000 1.050 224 G HN 0.297 nan 8.290 nan 0.000 0.519 225 G N -1.549 107.247 108.800 -0.005 0.000 2.528 225 G HA2 0.511 4.261 3.960 -0.351 0.000 0.289 225 G HA3 0.511 4.261 3.960 -0.351 0.000 0.289 225 G C 0.242 175.127 174.900 -0.025 0.000 1.192 225 G CA 0.451 45.544 45.100 -0.012 0.000 0.921 225 G HN 0.913 nan 8.290 nan 0.000 0.512 226 T N -2.462 112.049 114.554 -0.071 0.000 2.944 226 T HA 0.373 4.513 4.350 -0.351 0.000 0.284 226 T C 0.906 175.618 174.700 0.020 0.000 1.010 226 T CA -0.617 61.474 62.100 -0.015 0.000 1.025 226 T CB 1.409 70.248 68.868 -0.049 0.000 1.079 226 T HN 0.278 nan 8.240 nan 0.000 0.516 227 F N 1.364 121.282 119.950 -0.053 0.000 2.216 227 F HA 0.112 4.429 4.527 -0.351 0.000 0.300 227 F C 2.515 178.258 175.800 -0.095 0.000 1.085 227 F CA 1.310 59.281 58.000 -0.050 0.000 1.326 227 F CB -0.958 38.034 39.000 -0.015 0.000 1.027 227 F HN 0.766 nan 8.300 nan 0.000 0.497 228 A N 0.076 122.823 122.820 -0.122 0.000 1.933 228 A HA -0.206 3.903 4.320 -0.351 0.000 0.218 228 A C 2.132 179.539 177.584 -0.295 0.000 1.175 228 A CA 1.923 53.829 52.037 -0.219 0.000 0.628 228 A CB -0.764 18.171 19.000 -0.108 0.000 0.814 228 A HN 0.552 nan 8.150 nan 0.000 0.444 229 E N -0.922 119.071 120.200 -0.346 0.000 2.072 229 E HA -0.107 4.032 4.350 -0.351 0.000 0.190 229 E C 2.065 178.539 176.600 -0.210 0.000 0.982 229 E CA 1.423 57.502 56.400 -0.535 0.000 0.803 229 E CB -0.418 28.678 29.700 -1.008 0.000 0.755 229 E HN 0.552 nan 8.360 nan 0.000 0.453 230 T N 1.192 115.620 114.554 -0.210 0.000 2.665 230 T HA -0.164 3.975 4.350 -0.351 0.000 0.268 230 T C 2.114 176.671 174.700 -0.237 0.000 1.035 230 T CA 1.263 63.273 62.100 -0.149 0.000 1.151 230 T CB -0.267 68.499 68.868 -0.170 0.000 0.862 230 T HN -0.025 nan 8.240 nan 0.000 0.438 231 V N 1.065 120.688 119.914 -0.486 0.000 2.307 231 V HA -0.144 3.765 4.120 -0.351 0.000 0.245 231 V C 2.529 178.506 176.094 -0.196 0.000 1.045 231 V CA 1.786 63.811 62.300 -0.457 0.000 1.024 231 V CB -0.527 30.851 31.823 -0.742 0.000 0.651 231 V HN 0.535 nan 8.190 nan 0.000 0.449 232 E N -0.213 119.912 120.200 -0.126 0.000 2.085 232 E HA -0.271 3.868 4.350 -0.351 0.000 0.194 232 E C 2.181 178.799 176.600 0.031 0.000 0.994 232 E CA 1.585 57.980 56.400 -0.008 0.000 0.801 232 E CB -0.107 29.640 29.700 0.079 0.000 0.743 232 E HN 0.437 nan 8.360 nan 0.000 0.453 233 L N 0.764 122.039 121.223 0.086 0.000 2.056 233 L HA -0.069 4.060 4.340 -0.351 0.000 0.207 233 L C 2.240 179.094 176.870 -0.027 0.000 1.078 233 L CA 2.145 57.011 54.840 0.044 0.000 0.749 233 L CB -0.782 41.355 42.059 0.131 0.000 0.901 233 L HN 0.135 nan 8.230 nan 0.000 0.433 234 A N -0.814 122.000 122.820 -0.009 0.000 1.892 234 A HA -0.301 3.808 4.320 -0.351 0.000 0.218 234 A C 2.180 179.753 177.584 -0.019 0.000 1.188 234 A CA 2.129 54.165 52.037 -0.001 0.000 0.631 234 A CB -0.695 18.308 19.000 0.006 0.000 0.822 234 A HN 0.688 nan 8.150 nan 0.000 0.447 235 Q N -0.763 119.025 119.800 -0.020 0.000 2.167 235 Q HA -0.022 4.107 4.340 -0.351 0.000 0.202 235 Q C 2.382 178.361 176.000 -0.036 0.000 0.970 235 Q CA 1.158 56.953 55.803 -0.013 0.000 0.855 235 Q CB -0.378 28.359 28.738 -0.002 0.000 0.911 235 Q HN 0.694 nan 8.270 nan 0.000 0.438 236 A N 1.164 123.950 122.820 -0.056 0.000 1.873 236 A HA -0.157 3.952 4.320 -0.351 0.000 0.215 236 A C 1.997 179.507 177.584 -0.123 0.000 1.186 236 A CA 1.048 53.034 52.037 -0.086 0.000 0.616 236 A CB -0.396 18.543 19.000 -0.102 0.000 0.823 236 A HN 0.237 nan 8.150 nan 0.000 0.442 237 I N 0.111 120.583 120.570 -0.164 0.000 2.493 237 I HA -0.184 3.775 4.170 -0.351 0.000 0.254 237 I C 2.333 178.381 176.117 -0.116 0.000 1.160 237 I CA 1.640 62.806 61.300 -0.225 0.000 1.445 237 I CB -1.262 36.520 38.000 -0.363 0.000 1.086 237 I HN 0.593 nan 8.210 nan 0.000 0.433 238 E N 1.273 121.436 120.200 -0.061 0.000 2.047 238 E HA -0.176 3.963 4.350 -0.351 0.000 0.191 238 E C 2.295 178.880 176.600 -0.024 0.000 0.987 238 E CA 1.357 57.744 56.400 -0.021 0.000 0.799 238 E CB 0.063 29.763 29.700 -0.001 0.000 0.752 238 E HN 0.384 nan 8.360 nan 0.000 0.449 239 A N 0.863 123.661 122.820 -0.035 0.000 2.015 239 A HA -0.013 4.097 4.320 -0.351 0.000 0.219 239 A C 2.255 179.811 177.584 -0.045 0.000 1.163 239 A CA 1.431 53.448 52.037 -0.033 0.000 0.646 239 A CB -0.499 18.479 19.000 -0.036 0.000 0.806 239 A HN 0.396 nan 8.150 nan 0.000 0.448 240 A N -1.836 120.941 122.820 -0.071 0.000 2.119 240 A HA 0.367 4.476 4.320 -0.351 0.000 0.217 240 A C 1.775 179.327 177.584 -0.055 0.000 1.153 240 A CA 1.578 53.565 52.037 -0.084 0.000 0.692 240 A CB -0.579 18.339 19.000 -0.137 0.000 0.799 240 A HN 1.761 nan 8.150 nan 0.000 0.458 241 G N -2.803 105.979 108.800 -0.031 0.000 2.198 241 G HA2 0.252 4.001 3.960 -0.351 0.000 0.156 241 G HA3 0.252 4.001 3.960 -0.351 0.000 0.156 241 G C 0.313 175.233 174.900 0.032 0.000 1.012 241 G CA 0.050 45.152 45.100 0.004 0.000 0.692 241 G HN 1.370 nan 8.290 nan 0.000 0.492 242 A N 0.052 122.883 122.820 0.019 0.000 2.445 242 A HA 0.659 4.768 4.320 -0.351 0.000 0.242 242 A C 1.464 179.095 177.584 0.078 0.000 1.075 242 A CA 1.521 53.590 52.037 0.054 0.000 0.777 242 A CB 0.396 19.427 19.000 0.051 0.000 1.013 242 A HN 0.630 nan 8.150 nan 0.000 0.493 243 T N 1.094 115.707 114.554 0.098 0.000 3.010 243 T HA 0.281 4.420 4.350 -0.351 0.000 0.252 243 T C 0.449 175.181 174.700 0.053 0.000 1.047 243 T CA 0.993 63.154 62.100 0.102 0.000 1.140 243 T CB -0.185 68.768 68.868 0.142 0.000 0.885 243 T HN 0.522 nan 8.240 nan 0.000 0.464 244 I N 0.539 121.142 120.570 0.056 0.000 2.802 244 I HA 0.445 4.404 4.170 -0.351 0.000 0.298 244 I C -1.366 174.793 176.117 0.071 0.000 1.176 244 I CA -1.024 60.301 61.300 0.043 0.000 1.025 244 I CB 3.088 41.098 38.000 0.017 0.000 1.243 244 I HN -0.036 nan 8.210 nan 0.000 0.424 245 I N 4.031 124.644 120.570 0.071 0.000 2.362 245 I HA 0.313 4.272 4.170 -0.351 0.000 0.289 245 I C -0.474 175.674 176.117 0.052 0.000 0.994 245 I CA -0.448 60.911 61.300 0.098 0.000 1.158 245 I CB 1.677 39.748 38.000 0.119 0.000 1.315 245 I HN 0.535 nan 8.210 nan 0.000 0.451 246 N N 3.649 122.361 118.700 0.021 0.000 2.472 246 N HA 0.389 4.919 4.740 -0.351 0.000 0.289 246 N C -0.791 174.704 175.510 -0.024 0.000 1.156 246 N CA -0.190 52.856 53.050 -0.008 0.000 0.940 246 N CB 1.529 40.000 38.487 -0.025 0.000 1.200 246 N HN 0.392 nan 8.380 nan 0.000 0.511 247 T N 0.408 114.948 114.554 -0.022 0.000 2.845 247 T HA 0.624 4.763 4.350 -0.351 0.000 0.288 247 T C 0.054 174.719 174.700 -0.059 0.000 0.980 247 T CA -0.521 61.558 62.100 -0.036 0.000 1.071 247 T CB 0.915 69.762 68.868 -0.035 0.000 0.941 247 T HN 0.528 nan 8.240 nan 0.000 0.487 248 G N 2.564 111.321 108.800 -0.072 0.000 2.544 248 G HA2 0.627 4.376 3.960 -0.351 0.000 0.313 248 G HA3 0.627 4.376 3.960 -0.351 0.000 0.313 248 G C -1.025 173.807 174.900 -0.113 0.000 1.316 248 G CA -0.531 44.521 45.100 -0.081 0.000 0.944 248 G HN 0.580 nan 8.290 nan 0.000 0.489 249 I N 1.875 122.342 120.570 -0.172 0.000 2.436 249 I HA 0.649 4.609 4.170 -0.351 0.000 0.289 249 I C 0.854 176.850 176.117 -0.202 0.000 1.010 249 I CA -0.069 61.051 61.300 -0.300 0.000 1.098 249 I CB 0.553 38.157 38.000 -0.660 0.000 1.266 249 I HN 1.037 nan 8.210 nan 0.000 0.434 250 G N 5.374 114.108 108.800 -0.110 0.000 2.860 250 G HA2 -0.189 3.561 3.960 -0.351 0.000 0.553 250 G HA3 -0.189 3.561 3.960 -0.351 0.000 0.553 250 G C -1.537 173.500 174.900 0.229 0.000 1.439 250 G CA -0.669 44.441 45.100 0.017 0.000 0.879 250 G HN 0.492 nan 8.290 nan 0.000 0.545 251 W N -0.920 120.296 121.300 -0.140 0.000 2.799 251 W HA 0.705 5.156 4.660 -0.348 0.000 0.349 251 W C 1.175 177.603 176.519 -0.151 0.000 1.100 251 W CA -0.784 56.476 57.345 -0.142 0.000 1.174 251 W CB 0.831 30.272 29.460 -0.033 0.000 1.427 251 W HN 0.632 nan 8.180 nan 0.000 0.547 252 H N 0.364 119.470 119.070 0.059 0.000 2.421 252 H HA -0.102 4.242 4.556 -0.352 0.000 0.298 252 H C 1.196 176.431 175.328 -0.156 0.000 1.087 252 H CA 2.011 57.952 56.048 -0.179 0.000 1.330 252 H CB 0.040 29.459 29.762 -0.572 0.000 1.388 252 H HN 0.581 nan 8.280 nan 0.000 0.526 253 E N 0.559 120.851 120.200 0.153 0.000 2.358 253 E HA 0.127 4.266 4.350 -0.351 0.000 0.195 253 E C 1.018 177.578 176.600 -0.067 0.000 1.010 253 E CA 0.203 56.634 56.400 0.052 0.000 0.856 253 E CB 0.213 30.050 29.700 0.228 0.000 0.795 253 E HN 0.264 nan 8.360 nan 0.000 0.504 254 A N 1.878 124.695 122.820 -0.004 0.000 2.567 254 A HA -0.034 4.076 4.320 -0.351 0.000 0.240 254 A C 0.673 178.144 177.584 -0.188 0.000 1.053 254 A CA 0.079 52.078 52.037 -0.063 0.000 0.755 254 A CB 0.242 19.242 19.000 0.000 0.000 0.978 254 A HN 0.060 nan 8.150 nan 0.000 0.507 255 R N 1.777 122.207 120.500 -0.117 0.000 2.547 255 R HA 0.266 4.396 4.340 -0.351 0.000 0.258 255 R C -0.595 175.847 176.300 0.237 0.000 1.115 255 R CA 0.342 56.397 56.100 -0.076 0.000 1.152 255 R CB -0.731 29.593 30.300 0.041 0.000 1.221 255 R HN 0.704 nan 8.270 nan 0.000 0.539 256 I N 1.585 122.245 120.570 0.151 0.000 2.466 256 I HA 0.290 4.250 4.170 -0.351 0.000 0.289 256 I C -2.347 173.780 176.117 0.018 0.000 1.026 256 I CA -2.597 58.666 61.300 -0.061 0.000 1.078 256 I CB 2.616 40.630 38.000 0.022 0.000 1.249 256 I HN -0.242 nan 8.210 nan 0.000 0.429 257 P HA 0.104 nan 4.420 nan 0.000 0.271 257 P C 0.449 177.829 177.300 0.133 0.000 1.216 257 P CA -0.076 62.961 63.100 -0.104 0.000 0.771 257 P CB 0.672 32.168 31.700 -0.340 0.000 0.864 258 T N -0.737 113.905 114.554 0.147 0.000 2.955 258 T HA 0.152 4.291 4.350 -0.351 0.000 0.251 258 T C 1.096 175.904 174.700 0.180 0.000 1.002 258 T CA 0.201 62.425 62.100 0.206 0.000 0.970 258 T CB -0.400 68.476 68.868 0.013 0.000 1.091 258 T HN 0.469 nan 8.240 nan 0.000 0.495 259 I N -1.492 119.124 120.570 0.076 0.000 4.655 259 I HA 0.730 4.689 4.170 -0.351 0.000 0.333 259 I C 0.818 176.919 176.117 -0.027 0.000 1.312 259 I CA -0.859 60.461 61.300 0.034 0.000 1.270 259 I CB 0.183 38.206 38.000 0.039 0.000 1.318 259 I HN 0.150 nan 8.210 nan 0.000 0.456 260 A N 1.597 124.383 122.820 -0.056 0.000 2.409 260 A HA 0.308 4.418 4.320 -0.351 0.000 0.246 260 A C 1.436 178.963 177.584 -0.094 0.000 1.099 260 A CA 0.765 52.745 52.037 -0.095 0.000 0.789 260 A CB -0.061 18.843 19.000 -0.161 0.000 1.053 260 A HN 0.378 nan 8.150 nan 0.000 0.503 261 T N 1.401 115.899 114.554 -0.094 0.000 2.778 261 T HA -0.088 4.052 4.350 -0.351 0.000 0.269 261 T C -0.818 173.844 174.700 -0.063 0.000 1.050 261 T CA 2.242 64.280 62.100 -0.102 0.000 1.137 261 T CB -1.134 67.655 68.868 -0.131 0.000 0.860 261 T HN 0.590 nan 8.240 nan 0.000 0.468 262 P HA 0.072 nan 4.420 nan 0.000 0.226 262 P C 0.034 177.332 177.300 -0.002 0.000 1.153 262 P CA 0.397 63.544 63.100 0.077 0.000 0.777 262 P CB -0.143 31.674 31.700 0.196 0.000 0.794 263 V N 3.439 123.258 119.914 -0.158 0.000 2.470 263 V HA 0.106 4.015 4.120 -0.351 0.000 0.276 263 V C -1.733 174.107 176.094 -0.424 0.000 1.040 263 V CA -1.692 60.311 62.300 -0.494 0.000 1.008 263 V CB 0.082 31.690 31.823 -0.358 0.000 0.990 263 V HN 0.079 nan 8.190 nan 0.000 0.477 264 P HA 0.096 nan 4.420 nan 0.000 0.269 264 P C -0.285 176.851 177.300 -0.273 0.000 1.215 264 P CA -0.378 62.536 63.100 -0.311 0.000 0.780 264 P CB 0.623 32.164 31.700 -0.265 0.000 0.898 265 R N 0.997 121.393 120.500 -0.173 0.000 2.538 265 R HA 0.214 4.343 4.340 -0.351 0.000 0.282 265 R C 1.397 177.619 176.300 -0.129 0.000 1.009 265 R CA 0.885 56.903 56.100 -0.136 0.000 1.063 265 R CB -0.771 29.469 30.300 -0.099 0.000 0.945 265 R HN 0.866 nan 8.270 nan 0.000 0.414 266 G N 2.105 110.839 108.800 -0.111 0.000 2.321 266 G HA2 -0.373 3.377 3.960 -0.351 0.000 0.287 266 G HA3 -0.373 3.377 3.960 -0.351 0.000 0.287 266 G C 0.984 175.818 174.900 -0.111 0.000 1.018 266 G CA 0.451 45.505 45.100 -0.076 0.000 0.855 266 G HN 0.813 nan 8.290 nan 0.000 0.507 267 A N -1.028 121.626 122.820 -0.277 0.000 2.076 267 A HA 0.244 4.353 4.320 -0.351 0.000 0.220 267 A C 1.587 178.862 177.584 -0.515 0.000 1.160 267 A CA 1.783 53.520 52.037 -0.500 0.000 0.653 267 A CB -0.247 18.150 19.000 -1.005 0.000 0.801 267 A HN 0.871 nan 8.150 nan 0.000 0.455 268 F N -1.193 118.740 119.950 -0.029 0.000 2.698 268 F HA 0.182 4.498 4.527 -0.351 0.000 0.304 268 F C 1.874 177.449 175.800 -0.375 0.000 1.108 268 F CA 0.124 57.943 58.000 -0.301 0.000 1.263 268 F CB 0.308 39.152 39.000 -0.261 0.000 1.013 268 F HN 0.007 nan 8.300 nan 0.000 0.532 269 S N 0.947 116.630 115.700 -0.029 0.000 2.382 269 S HA -0.182 4.077 4.470 -0.351 0.000 0.228 269 S C 2.003 176.610 174.600 0.012 0.000 1.027 269 S CA 1.457 59.660 58.200 0.005 0.000 0.991 269 S CB -0.429 62.805 63.200 0.058 0.000 0.823 269 S HN 0.728 nan 8.310 nan 0.000 0.469 270 W N 1.698 123.037 121.300 0.064 0.000 2.350 270 W HA -0.070 4.381 4.660 -0.349 0.000 0.289 270 W C 1.397 177.960 176.519 0.072 0.000 1.215 270 W CA 0.650 58.027 57.345 0.054 0.000 1.236 270 W CB -1.350 28.132 29.460 0.036 0.000 1.130 270 W HN 0.097 nan 8.180 nan 0.000 0.541 271 V N 2.356 121.856 119.914 -0.689 0.000 2.270 271 V HA -0.302 3.607 4.120 -0.351 0.000 0.245 271 V C 2.598 178.611 176.094 -0.134 0.000 1.043 271 V CA 3.020 64.969 62.300 -0.584 0.000 1.014 271 V CB -1.495 29.878 31.823 -0.751 0.000 0.645 271 V HN 0.165 nan 8.190 nan 0.000 0.447 272 T N -0.117 114.380 114.554 -0.094 0.000 2.833 272 T HA -0.222 3.917 4.350 -0.351 0.000 0.269 272 T C 2.072 176.818 174.700 0.077 0.000 1.054 272 T CA 1.666 63.775 62.100 0.015 0.000 1.135 272 T CB -0.301 68.569 68.868 0.004 0.000 0.869 272 T HN 0.271 nan 8.240 nan 0.000 0.466 273 R N 1.708 122.254 120.500 0.077 0.000 2.120 273 R HA 0.056 4.186 4.340 -0.351 0.000 0.234 273 R C 2.028 178.416 176.300 0.147 0.000 1.123 273 R CA 1.418 57.583 56.100 0.109 0.000 0.975 273 R CB -0.349 30.023 30.300 0.120 0.000 0.866 273 R HN 0.295 nan 8.270 nan 0.000 0.446 274 K N -0.238 120.256 120.400 0.158 0.000 2.211 274 K HA -0.052 4.058 4.320 -0.351 0.000 0.203 274 K C 1.730 178.618 176.600 0.481 0.000 1.050 274 K CA 1.014 57.408 56.287 0.179 0.000 0.945 274 K CB -0.069 32.366 32.500 -0.108 0.000 0.732 274 K HN 0.242 nan 8.250 nan 0.000 0.451 275 L N 0.979 122.465 121.223 0.439 0.000 2.341 275 L HA -0.016 4.114 4.340 -0.351 0.000 0.214 275 L C 0.887 177.963 176.870 0.343 0.000 1.115 275 L CA 0.201 55.317 54.840 0.460 0.000 0.820 275 L CB 0.008 42.223 42.059 0.259 0.000 0.944 275 L HN 0.112 nan 8.230 nan 0.000 0.452 276 K N 0.347 120.873 120.400 0.211 0.000 2.530 276 K HA -0.045 4.064 4.320 -0.351 0.000 0.280 276 K C 1.053 177.665 176.600 0.020 0.000 1.004 276 K CA 0.989 57.338 56.287 0.105 0.000 1.071 276 K CB 0.182 32.729 32.500 0.078 0.000 0.876 276 K HN 0.322 nan 8.250 nan 0.000 0.487 277 G N 3.636 112.428 108.800 -0.013 0.000 2.253 277 G HA2 -0.259 3.490 3.960 -0.351 0.000 0.251 277 G HA3 -0.259 3.490 3.960 -0.351 0.000 0.251 277 G C 0.696 175.506 174.900 -0.151 0.000 0.998 277 G CA 0.294 45.334 45.100 -0.100 0.000 0.621 277 G HN 0.840 nan 8.290 nan 0.000 0.524 278 H N -0.065 119.040 119.070 0.057 0.000 2.535 278 H HA 0.352 4.697 4.556 -0.351 0.000 0.273 278 H C 1.308 176.647 175.328 0.018 0.000 0.983 278 H CA 1.696 57.765 56.048 0.035 0.000 1.238 278 H CB 0.433 30.209 29.762 0.025 0.000 1.412 278 H HN 0.881 nan 8.280 nan 0.000 0.562 279 V N -3.031 116.950 119.914 0.113 0.000 3.114 279 V HA 0.411 4.321 4.120 -0.351 0.000 0.308 279 V C 0.552 176.674 176.094 0.046 0.000 1.168 279 V CA -0.817 61.525 62.300 0.069 0.000 1.015 279 V CB 2.354 34.217 31.823 0.067 0.000 1.050 279 V HN -0.115 nan 8.190 nan 0.000 0.433 280 S N 1.352 117.072 115.700 0.033 0.000 2.535 280 S HA 0.331 4.591 4.470 -0.351 0.000 0.214 280 S C 0.426 175.040 174.600 0.023 0.000 0.980 280 S CA 0.016 58.230 58.200 0.023 0.000 0.907 280 S CB -0.293 62.918 63.200 0.018 0.000 0.790 280 S HN 0.568 nan 8.310 nan 0.000 0.510 281 L N 2.858 124.099 121.223 0.029 0.000 2.456 281 L HA 0.300 4.429 4.340 -0.351 0.000 0.272 281 L C -2.336 174.550 176.870 0.026 0.000 1.189 281 L CA -1.995 52.861 54.840 0.028 0.000 0.846 281 L CB -0.715 41.366 42.059 0.038 0.000 1.111 281 L HN -0.069 nan 8.230 nan 0.000 0.475 282 P HA 0.143 nan 4.420 nan 0.000 0.265 282 P C -0.932 176.381 177.300 0.022 0.000 1.193 282 P CA 0.110 63.216 63.100 0.010 0.000 0.765 282 P CB 0.399 32.094 31.700 -0.008 0.000 0.823 283 L N 2.907 124.145 121.223 0.026 0.000 2.329 283 L HA 0.502 4.631 4.340 -0.351 0.000 0.279 283 L C -0.308 176.574 176.870 0.021 0.000 1.014 283 L CA -1.110 53.750 54.840 0.033 0.000 0.814 283 L CB 1.861 43.949 42.059 0.048 0.000 1.257 283 L HN 0.055 nan 8.230 nan 0.000 0.424 284 V N 1.266 121.191 119.914 0.017 0.000 2.435 284 V HA 0.434 4.344 4.120 -0.351 0.000 0.290 284 V C 0.188 176.286 176.094 0.007 0.000 1.030 284 V CA -0.434 61.871 62.300 0.008 0.000 0.881 284 V CB 1.715 33.541 31.823 0.004 0.000 0.983 284 V HN 0.792 nan 8.190 nan 0.000 0.445 285 T N 2.843 117.400 114.554 0.005 0.000 2.925 285 T HA 0.700 4.839 4.350 -0.351 0.000 0.285 285 T C -0.359 174.345 174.700 0.006 0.000 1.021 285 T CA -0.063 62.038 62.100 0.003 0.000 1.042 285 T CB 1.691 70.562 68.868 0.005 0.000 1.037 285 T HN 0.992 nan 8.240 nan 0.000 0.481 286 T N 2.205 116.766 114.554 0.013 0.000 2.787 286 T HA 0.614 4.753 4.350 -0.351 0.000 0.297 286 T C -1.891 172.845 174.700 0.060 0.000 1.221 286 T CA -0.402 61.712 62.100 0.023 0.000 1.006 286 T CB 0.742 69.619 68.868 0.015 0.000 1.328 286 T HN 0.920 nan 8.240 nan 0.000 0.509 287 N N 1.771 120.504 118.700 0.055 0.000 4.184 287 N HA -0.057 4.472 4.740 -0.351 0.000 0.303 287 N C -0.453 175.080 175.510 0.039 0.000 2.210 287 N CA 0.480 53.582 53.050 0.087 0.000 2.758 287 N CB -0.327 38.300 38.487 0.234 0.000 0.359 287 N HN 0.830 nan 8.380 nan 0.000 0.564 288 R N -0.593 119.904 120.500 -0.007 0.000 3.516 288 R HA -0.213 3.916 4.340 -0.351 0.000 0.271 288 R C -0.656 175.598 176.300 -0.077 0.000 1.098 288 R CA 0.877 56.941 56.100 -0.061 0.000 0.732 288 R CB -1.817 28.425 30.300 -0.098 0.000 1.152 288 R HN 0.624 nan 8.270 nan 0.000 0.455 289 I N 2.206 122.735 120.570 -0.069 0.000 2.307 289 I HA 0.067 4.026 4.170 -0.351 0.000 0.287 289 I C 0.954 176.996 176.117 -0.125 0.000 1.054 289 I CA -0.234 61.013 61.300 -0.087 0.000 1.218 289 I CB 0.894 38.851 38.000 -0.070 0.000 1.398 289 I HN 0.120 nan 8.210 nan 0.000 0.475 290 N N 4.027 122.644 118.700 -0.137 0.000 2.241 290 N HA 0.125 4.655 4.740 -0.351 0.000 0.238 290 N C -0.587 174.820 175.510 -0.172 0.000 1.244 290 N CA -0.311 52.637 53.050 -0.170 0.000 0.880 290 N CB 0.592 38.987 38.487 -0.152 0.000 1.179 290 N HN 0.409 nan 8.380 nan 0.000 0.513 291 D N 0.189 120.493 120.400 -0.161 0.000 2.879 291 D HA 0.327 4.756 4.640 -0.351 0.000 0.236 291 D C -2.167 174.008 176.300 -0.209 0.000 1.171 291 D CA -1.589 52.318 54.000 -0.156 0.000 0.868 291 D CB 3.284 44.023 40.800 -0.102 0.000 1.598 291 D HN -0.243 nan 8.370 nan 0.000 0.497 292 P HA -0.143 nan 4.420 nan 0.000 0.215 292 P C 1.149 178.156 177.300 -0.488 0.000 1.153 292 P CA 1.220 63.977 63.100 -0.571 0.000 0.853 292 P CB 0.487 31.598 31.700 -0.982 0.000 0.788 293 Q N -0.194 119.479 119.800 -0.211 0.000 2.046 293 Q HA -0.102 4.027 4.340 -0.351 0.000 0.200 293 Q C 1.991 177.998 176.000 0.011 0.000 0.975 293 Q CA 1.494 57.340 55.803 0.072 0.000 0.836 293 Q CB -1.267 27.560 28.738 0.148 0.000 0.896 293 Q HN -0.024 nan 8.270 nan 0.000 0.428 294 V N 0.671 120.560 119.914 -0.042 0.000 2.287 294 V HA -0.301 3.609 4.120 -0.351 0.000 0.248 294 V C 2.262 178.327 176.094 -0.047 0.000 1.053 294 V CA 1.927 64.203 62.300 -0.040 0.000 1.027 294 V CB -1.316 30.471 31.823 -0.061 0.000 0.646 294 V HN 0.512 nan 8.190 nan 0.000 0.447 295 A N -0.090 122.676 122.820 -0.090 0.000 1.902 295 A HA -0.301 3.808 4.320 -0.351 0.000 0.217 295 A C 2.047 179.597 177.584 -0.057 0.000 1.181 295 A CA 2.217 54.200 52.037 -0.091 0.000 0.623 295 A CB -0.752 18.160 19.000 -0.147 0.000 0.818 295 A HN 0.606 nan 8.150 nan 0.000 0.443 296 D N -0.392 119.985 120.400 -0.040 0.000 2.117 296 D HA -0.149 4.280 4.640 -0.351 0.000 0.197 296 D C 1.221 177.553 176.300 0.055 0.000 0.987 296 D CA 1.497 55.525 54.000 0.046 0.000 0.829 296 D CB -0.093 40.834 40.800 0.212 0.000 0.961 296 D HN 0.364 nan 8.370 nan 0.000 0.460 297 D N -0.283 120.147 120.400 0.050 0.000 2.144 297 D HA -0.101 4.328 4.640 -0.351 0.000 0.199 297 D C 2.145 178.462 176.300 0.028 0.000 0.984 297 D CA 0.515 54.540 54.000 0.043 0.000 0.834 297 D CB -0.190 40.632 40.800 0.037 0.000 0.955 297 D HN 0.369 nan 8.370 nan 0.000 0.465 298 I N 0.328 120.908 120.570 0.016 0.000 2.226 298 I HA -0.230 3.730 4.170 -0.351 0.000 0.245 298 I C 2.262 178.390 176.117 0.018 0.000 1.100 298 I CA 0.726 62.035 61.300 0.016 0.000 1.374 298 I CB -0.039 37.963 38.000 0.003 0.000 1.057 298 I HN -0.002 nan 8.210 nan 0.000 0.413 299 L N 0.076 121.305 121.223 0.011 0.000 2.044 299 L HA -0.175 3.954 4.340 -0.351 0.000 0.205 299 L C 2.819 179.704 176.870 0.023 0.000 1.075 299 L CA 1.644 56.491 54.840 0.012 0.000 0.747 299 L CB -0.690 41.369 42.059 0.001 0.000 0.903 299 L HN 0.335 nan 8.230 nan 0.000 0.435 300 S N -0.135 115.584 115.700 0.032 0.000 2.402 300 S HA -0.169 4.090 4.470 -0.351 0.000 0.229 300 S C 2.025 176.643 174.600 0.031 0.000 1.021 300 S CA 0.693 58.913 58.200 0.035 0.000 0.974 300 S CB -0.396 62.830 63.200 0.043 0.000 0.800 300 S HN 0.358 nan 8.310 nan 0.000 0.484 301 R N 0.989 121.507 120.500 0.031 0.000 2.280 301 R HA 0.141 4.270 4.340 -0.351 0.000 0.207 301 R C 1.559 177.879 176.300 0.033 0.000 1.043 301 R CA 0.521 56.640 56.100 0.031 0.000 1.006 301 R CB -0.568 29.752 30.300 0.034 0.000 0.885 301 R HN 0.672 nan 8.270 nan 0.000 0.467 302 G N 1.376 110.195 108.800 0.031 0.000 2.137 302 G HA2 -0.233 3.517 3.960 -0.351 0.000 0.237 302 G HA3 -0.233 3.517 3.960 -0.351 0.000 0.237 302 G C 0.217 175.141 174.900 0.039 0.000 1.002 302 G CA 0.348 45.466 45.100 0.031 0.000 0.702 302 G HN 0.262 nan 8.290 nan 0.000 0.515 303 D N 0.169 120.594 120.400 0.041 0.000 2.178 303 D HA 0.360 4.790 4.640 -0.351 0.000 0.202 303 D C 1.587 177.914 176.300 0.044 0.000 0.974 303 D CA 2.022 56.053 54.000 0.051 0.000 0.841 303 D CB 0.165 40.997 40.800 0.052 0.000 0.953 303 D HN 1.261 nan 8.370 nan 0.000 0.478 304 A N -0.630 122.209 122.820 0.032 0.000 2.536 304 A HA 0.351 4.461 4.320 -0.351 0.000 0.293 304 A C -0.413 177.181 177.584 0.017 0.000 1.119 304 A CA -0.564 51.489 52.037 0.027 0.000 0.654 304 A CB 0.556 19.568 19.000 0.020 0.000 1.291 304 A HN -0.190 nan 8.150 nan 0.000 0.439 305 D N -0.348 120.060 120.400 0.013 0.000 2.301 305 D HA 0.215 4.645 4.640 -0.351 0.000 0.206 305 D C 0.118 176.415 176.300 -0.006 0.000 0.979 305 D CA 1.276 55.279 54.000 0.005 0.000 0.874 305 D CB 0.319 41.121 40.800 0.004 0.000 0.968 305 D HN 0.480 nan 8.370 nan 0.000 0.510 306 M N 0.361 119.957 119.600 -0.006 0.000 2.575 306 M HA 0.278 4.548 4.480 -0.351 0.000 0.284 306 M C -1.127 175.165 176.300 -0.013 0.000 1.253 306 M CA -1.040 54.250 55.300 -0.016 0.000 0.861 306 M CB 3.612 36.203 32.600 -0.016 0.000 1.733 306 M HN -0.305 nan 8.290 nan 0.000 0.462 307 V N -1.258 118.643 119.914 -0.022 0.000 2.628 307 V HA 0.826 4.735 4.120 -0.351 0.000 0.306 307 V C -0.539 175.557 176.094 0.003 0.000 1.045 307 V CA -0.515 61.776 62.300 -0.016 0.000 0.905 307 V CB 1.643 33.444 31.823 -0.038 0.000 0.997 307 V HN 0.867 nan 8.190 nan 0.000 0.436 308 S N 5.009 120.718 115.700 0.015 0.000 2.525 308 S HA 0.833 5.092 4.470 -0.351 0.000 0.290 308 S C -0.573 174.056 174.600 0.048 0.000 1.152 308 S CA -0.732 57.494 58.200 0.044 0.000 1.072 308 S CB 0.821 64.043 63.200 0.036 0.000 1.027 308 S HN 0.824 nan 8.310 nan 0.000 0.500 309 M N 4.028 123.693 119.600 0.108 0.000 2.183 309 M HA 0.411 4.681 4.480 -0.351 0.000 0.277 309 M C 0.137 176.554 176.300 0.196 0.000 0.995 309 M CA -0.663 54.671 55.300 0.058 0.000 0.969 309 M CB 1.936 34.469 32.600 -0.112 0.000 1.659 309 M HN 0.781 nan 8.290 nan 0.000 0.462 310 A N 3.138 126.038 122.820 0.134 0.000 2.051 310 A HA 0.255 4.364 4.320 -0.351 0.000 0.218 310 A C 1.777 179.468 177.584 0.179 0.000 1.575 310 A CA 0.328 52.488 52.037 0.205 0.000 0.700 310 A CB -0.006 19.088 19.000 0.157 0.000 1.245 310 A HN 0.846 nan 8.150 nan 0.000 0.536 311 R N 0.104 120.659 120.500 0.091 0.000 2.117 311 R HA -0.112 4.017 4.340 -0.351 0.000 0.243 311 R C -0.917 175.379 176.300 -0.007 0.000 1.143 311 R CA 1.896 58.031 56.100 0.057 0.000 0.968 311 R CB -1.409 28.901 30.300 0.017 0.000 0.863 311 R HN 0.373 nan 8.270 nan 0.000 0.444 312 P HA -0.139 nan 4.420 nan 0.000 0.221 312 P C 0.498 177.621 177.300 -0.295 0.000 1.145 312 P CA 1.161 64.105 63.100 -0.260 0.000 0.795 312 P CB 0.038 31.497 31.700 -0.401 0.000 0.775 313 F N -2.252 117.705 119.950 0.012 0.000 2.710 313 F HA 0.034 4.356 4.527 -0.342 0.000 0.298 313 F C 1.830 177.672 175.800 0.069 0.000 1.137 313 F CA 0.585 58.596 58.000 0.018 0.000 1.444 313 F CB -0.677 38.331 39.000 0.014 0.000 1.111 313 F HN -0.155 nan 8.300 nan 0.000 0.580 314 L N -0.481 120.885 121.223 0.239 0.000 2.168 314 L HA 0.116 4.245 4.340 -0.351 0.000 0.203 314 L C 2.524 179.463 176.870 0.114 0.000 1.078 314 L CA 1.424 56.407 54.840 0.238 0.000 0.780 314 L CB -1.411 40.755 42.059 0.177 0.000 0.939 314 L HN 0.047 nan 8.230 nan 0.000 0.451 315 A N -1.691 121.143 122.820 0.024 0.000 1.933 315 A HA -0.116 3.994 4.320 -0.351 0.000 0.218 315 A C 0.593 178.120 177.584 -0.095 0.000 1.175 315 A CA 1.574 53.573 52.037 -0.062 0.000 0.628 315 A CB -0.191 18.734 19.000 -0.125 0.000 0.814 315 A HN 0.378 nan 8.150 nan 0.000 0.444 316 D N -2.861 117.500 120.400 -0.065 0.000 2.452 316 D HA 0.493 4.923 4.640 -0.351 0.000 0.226 316 D C 0.398 176.720 176.300 0.037 0.000 1.366 316 D CA 0.315 54.277 54.000 -0.063 0.000 0.986 316 D CB 1.150 41.864 40.800 -0.144 0.000 1.420 316 D HN 0.052 nan 8.370 nan 0.000 0.583 317 A N 3.218 126.077 122.820 0.064 0.000 2.067 317 A HA -0.082 4.028 4.320 -0.351 0.000 0.219 317 A C 1.295 178.913 177.584 0.058 0.000 1.158 317 A CA 1.037 53.146 52.037 0.119 0.000 0.661 317 A CB -0.010 19.018 19.000 0.048 0.000 0.801 317 A HN 0.576 nan 8.150 nan 0.000 0.452 318 E N -0.556 119.575 120.200 -0.114 0.000 2.419 318 E HA 0.104 4.243 4.350 -0.351 0.000 0.190 318 E C 1.258 177.856 176.600 -0.002 0.000 1.040 318 E CA -0.402 55.853 56.400 -0.241 0.000 0.900 318 E CB 0.053 29.504 29.700 -0.414 0.000 1.054 318 E HN 0.458 nan 8.360 nan 0.000 0.462 319 L N 0.692 121.947 121.223 0.054 0.000 2.021 319 L HA -0.254 3.876 4.340 -0.351 0.000 0.215 319 L C 1.728 178.656 176.870 0.097 0.000 1.074 319 L CA 1.920 56.762 54.840 0.003 0.000 0.760 319 L CB -0.270 41.674 42.059 -0.192 0.000 0.889 319 L HN 0.242 nan 8.230 nan 0.000 0.433 320 L N -1.268 120.098 121.223 0.240 0.000 2.131 320 L HA -0.105 4.024 4.340 -0.351 0.000 0.206 320 L C 2.555 179.635 176.870 0.349 0.000 1.087 320 L CA 1.093 56.137 54.840 0.341 0.000 0.767 320 L CB -0.626 41.673 42.059 0.401 0.000 0.917 320 L HN 0.436 nan 8.230 nan 0.000 0.441 321 S N -0.230 115.635 115.700 0.275 0.000 2.382 321 S HA -0.183 4.076 4.470 -0.351 0.000 0.228 321 S C 1.889 176.580 174.600 0.151 0.000 1.027 321 S CA 0.851 59.182 58.200 0.219 0.000 0.991 321 S CB -0.277 63.133 63.200 0.350 0.000 0.823 321 S HN 0.357 nan 8.310 nan 0.000 0.469 322 K N 1.753 122.236 120.400 0.137 0.000 2.025 322 K HA 0.098 4.207 4.320 -0.351 0.000 0.207 322 K C 2.631 179.317 176.600 0.143 0.000 1.049 322 K CA 1.091 57.443 56.287 0.109 0.000 0.933 322 K CB -0.577 31.971 32.500 0.080 0.000 0.714 322 K HN 0.442 nan 8.250 nan 0.000 0.438 323 A N 1.473 124.405 122.820 0.186 0.000 1.865 323 A HA -0.282 3.828 4.320 -0.351 0.000 0.217 323 A C 2.098 179.891 177.584 0.348 0.000 1.191 323 A CA 1.725 53.935 52.037 0.287 0.000 0.623 323 A CB -0.691 18.455 19.000 0.243 0.000 0.826 323 A HN 0.367 nan 8.150 nan 0.000 0.444 324 Q N 0.051 119.945 119.800 0.156 0.000 2.364 324 Q HA -0.110 4.019 4.340 -0.351 0.000 0.209 324 Q C 1.465 177.414 176.000 -0.085 0.000 0.977 324 Q CA 1.477 57.157 55.803 -0.205 0.000 0.885 324 Q CB -0.116 28.249 28.738 -0.622 0.000 0.941 324 Q HN 0.779 nan 8.270 nan 0.000 0.464 325 S N -2.528 113.181 115.700 0.014 0.000 2.568 325 S HA 0.349 4.608 4.470 -0.351 0.000 0.232 325 S C 0.968 175.588 174.600 0.034 0.000 0.975 325 S CA 0.058 58.264 58.200 0.010 0.000 0.949 325 S CB 0.956 64.169 63.200 0.022 0.000 0.829 325 S HN 0.474 nan 8.310 nan 0.000 0.479 326 G N 2.036 110.879 108.800 0.071 0.000 2.147 326 G HA2 -0.259 3.491 3.960 -0.351 0.000 0.244 326 G HA3 -0.259 3.491 3.960 -0.351 0.000 0.244 326 G C 0.252 175.203 174.900 0.085 0.000 1.005 326 G CA -0.040 45.103 45.100 0.072 0.000 0.713 326 G HN 0.556 nan 8.290 nan 0.000 0.515 327 R N -0.322 120.240 120.500 0.102 0.000 2.865 327 R HA 0.544 4.673 4.340 -0.351 0.000 0.370 327 R C 2.059 178.420 176.300 0.103 0.000 1.168 327 R CA 0.330 56.483 56.100 0.088 0.000 1.058 327 R CB 0.306 30.649 30.300 0.071 0.000 1.419 327 R HN 0.367 nan 8.270 nan 0.000 0.580 328 A N 1.619 124.517 122.820 0.130 0.000 2.024 328 A HA -0.209 3.901 4.320 -0.351 0.000 0.220 328 A C 1.649 179.288 177.584 0.091 0.000 1.164 328 A CA 1.769 53.874 52.037 0.113 0.000 0.643 328 A CB -0.166 18.930 19.000 0.160 0.000 0.806 328 A HN 0.465 nan 8.150 nan 0.000 0.451 329 D N -0.165 120.290 120.400 0.093 0.000 2.348 329 D HA -0.123 4.306 4.640 -0.351 0.000 0.216 329 D C 1.126 177.491 176.300 0.108 0.000 0.970 329 D CA 1.089 55.142 54.000 0.089 0.000 0.889 329 D CB -0.478 40.364 40.800 0.071 0.000 0.912 329 D HN 0.621 nan 8.370 nan 0.000 0.524 330 E N -0.283 119.985 120.200 0.113 0.000 2.474 330 E HA 0.210 4.350 4.350 -0.351 0.000 0.195 330 E C 0.295 177.049 176.600 0.258 0.000 1.039 330 E CA -0.308 56.183 56.400 0.152 0.000 0.881 330 E CB 0.576 30.333 29.700 0.094 0.000 0.970 330 E HN 0.344 nan 8.360 nan 0.000 0.486 331 I N 2.378 123.040 120.570 0.153 0.000 2.452 331 I HA -0.022 3.938 4.170 -0.351 0.000 0.287 331 I C 0.425 176.471 176.117 -0.118 0.000 1.079 331 I CA -0.327 60.989 61.300 0.027 0.000 1.387 331 I CB 0.326 38.305 38.000 -0.034 0.000 1.404 331 I HN -0.076 nan 8.210 nan 0.000 0.522 332 N N 5.824 124.252 118.700 -0.454 0.000 2.508 332 N HA 0.058 4.587 4.740 -0.351 0.000 0.253 332 N C -0.498 174.733 175.510 -0.465 0.000 1.145 332 N CA -0.025 52.429 53.050 -0.993 0.000 0.973 332 N CB 0.226 38.015 38.487 -1.163 0.000 1.305 332 N HN 0.467 nan 8.380 nan 0.000 0.506 333 T N 2.296 116.657 114.554 -0.321 0.000 2.928 333 T HA -0.030 4.109 4.350 -0.351 0.000 0.305 333 T C 0.500 175.083 174.700 -0.195 0.000 1.035 333 T CA -0.228 61.747 62.100 -0.209 0.000 1.145 333 T CB 0.210 68.998 68.868 -0.133 0.000 0.963 333 T HN 0.561 nan 8.240 nan 0.000 0.545 334 C N 6.146 125.341 119.300 -0.174 0.000 2.566 334 C HA 0.390 4.639 4.460 -0.351 0.000 0.393 334 C C 1.807 176.705 174.990 -0.154 0.000 1.309 334 C CA -0.873 58.057 59.018 -0.146 0.000 1.801 334 C CB -2.083 25.580 27.740 -0.128 0.000 2.493 334 C HN 0.955 nan 8.230 nan 0.000 0.575 335 I N 3.864 124.330 120.570 -0.174 0.000 3.812 335 I HA 0.328 4.287 4.170 -0.351 0.000 0.320 335 I C 1.455 177.428 176.117 -0.239 0.000 1.276 335 I CA 0.596 61.743 61.300 -0.255 0.000 1.164 335 I CB -0.730 37.021 38.000 -0.415 0.000 1.009 335 I HN 0.914 nan 8.210 nan 0.000 0.431 336 G N 2.211 110.916 108.800 -0.159 0.000 2.203 336 G HA2 -0.376 3.373 3.960 -0.351 0.000 0.263 336 G HA3 -0.376 3.373 3.960 -0.351 0.000 0.263 336 G C 0.956 175.784 174.900 -0.120 0.000 1.012 336 G CA 0.527 45.553 45.100 -0.124 0.000 0.749 336 G HN 0.837 nan 8.290 nan 0.000 0.512 337 C N -1.937 117.289 119.300 -0.123 0.000 2.448 337 C HA 0.173 4.422 4.460 -0.351 0.000 0.280 337 C C 1.923 176.886 174.990 -0.045 0.000 1.398 337 C CA 0.802 59.769 59.018 -0.085 0.000 1.774 337 C CB -0.696 27.014 27.740 -0.050 0.000 1.888 337 C HN 0.795 nan 8.230 nan 0.000 0.519 338 N N 0.250 118.930 118.700 -0.033 0.000 2.857 338 N HA -0.240 4.289 4.740 -0.351 0.000 0.242 338 N C 0.799 176.311 175.510 0.004 0.000 0.983 338 N CA 1.831 54.873 53.050 -0.015 0.000 0.934 338 N CB -1.429 37.037 38.487 -0.035 0.000 1.115 338 N HN 0.808 nan 8.380 nan 0.000 0.593 339 Q N -0.453 119.356 119.800 0.014 0.000 1.993 339 Q HA 0.038 4.167 4.340 -0.351 0.000 0.202 339 Q C 2.033 178.054 176.000 0.034 0.000 0.984 339 Q CA 2.067 57.889 55.803 0.031 0.000 0.837 339 Q CB -0.138 28.633 28.738 0.054 0.000 0.902 339 Q HN 0.549 nan 8.270 nan 0.000 0.423 340 A N -0.055 122.784 122.820 0.033 0.000 2.178 340 A HA -0.014 4.095 4.320 -0.351 0.000 0.211 340 A C 2.050 179.649 177.584 0.025 0.000 1.157 340 A CA 0.746 52.798 52.037 0.025 0.000 0.780 340 A CB -0.355 18.656 19.000 0.019 0.000 0.828 340 A HN 0.631 nan 8.150 nan 0.000 0.476 341 C N -2.595 116.724 119.300 0.031 0.000 3.370 341 C HA 0.385 4.634 4.460 -0.351 0.000 0.266 341 C C 2.067 177.090 174.990 0.056 0.000 1.700 341 C CA 0.646 59.688 59.018 0.040 0.000 1.602 341 C CB -1.102 26.665 27.740 0.045 0.000 1.778 341 C HN 0.304 nan 8.230 nan 0.000 0.728 342 L N 2.190 123.447 121.223 0.057 0.000 2.017 342 L HA -0.028 4.102 4.340 -0.351 0.000 0.208 342 L C 2.155 179.079 176.870 0.090 0.000 1.073 342 L CA 2.241 57.124 54.840 0.072 0.000 0.745 342 L CB -1.087 41.001 42.059 0.049 0.000 0.894 342 L HN 0.364 nan 8.230 nan 0.000 0.432 343 D N -0.959 119.482 120.400 0.067 0.000 2.182 343 D HA -0.215 4.215 4.640 -0.351 0.000 0.201 343 D C 2.191 178.569 176.300 0.131 0.000 0.986 343 D CA 1.131 55.190 54.000 0.099 0.000 0.847 343 D CB 0.043 40.877 40.800 0.058 0.000 0.942 343 D HN 0.523 nan 8.370 nan 0.000 0.467 344 Q N -0.576 119.275 119.800 0.084 0.000 2.123 344 Q HA 0.002 4.132 4.340 -0.351 0.000 0.196 344 Q C 2.011 178.040 176.000 0.049 0.000 0.958 344 Q CA 0.235 56.070 55.803 0.054 0.000 0.841 344 Q CB 0.114 28.868 28.738 0.027 0.000 0.915 344 Q HN 0.162 nan 8.270 nan 0.000 0.455 345 I N 0.324 120.939 120.570 0.076 0.000 3.001 345 I HA -0.155 3.804 4.170 -0.351 0.000 0.268 345 I C 1.485 177.655 176.117 0.089 0.000 1.267 345 I CA 0.674 62.023 61.300 0.080 0.000 1.472 345 I CB -0.123 37.953 38.000 0.127 0.000 1.089 345 I HN 0.124 nan 8.210 nan 0.000 0.468 346 F N 0.876 120.800 119.950 -0.045 0.000 2.293 346 F HA -0.011 4.305 4.527 -0.352 0.000 0.297 346 F C 1.863 177.577 175.800 -0.143 0.000 1.089 346 F CA 1.438 59.377 58.000 -0.103 0.000 1.377 346 F CB -0.316 38.627 39.000 -0.094 0.000 1.051 346 F HN -0.006 nan 8.300 nan 0.000 0.511 347 V N -1.297 118.466 119.914 -0.250 0.000 3.331 347 V HA 0.500 4.410 4.120 -0.351 0.000 0.332 347 V C 1.266 177.234 176.094 -0.209 0.000 1.341 347 V CA 0.336 62.437 62.300 -0.332 0.000 1.218 347 V CB -0.782 30.943 31.823 -0.162 0.000 1.152 347 V HN 0.587 nan 8.190 nan 0.000 0.445 348 G N 0.560 109.260 108.800 -0.167 0.000 2.160 348 G HA2 -0.326 3.424 3.960 -0.351 0.000 0.251 348 G HA3 -0.326 3.424 3.960 -0.351 0.000 0.251 348 G C 0.098 174.972 174.900 -0.043 0.000 1.008 348 G CA 0.795 45.844 45.100 -0.085 0.000 0.724 348 G HN 0.875 nan 8.290 nan 0.000 0.514 349 K N -0.383 119.992 120.400 -0.042 0.000 2.185 349 K HA 0.685 4.795 4.320 -0.351 0.000 0.240 349 K C 0.686 177.237 176.600 -0.082 0.000 0.983 349 K CA -0.862 55.394 56.287 -0.051 0.000 0.873 349 K CB 1.536 34.019 32.500 -0.029 0.000 1.118 349 K HN 0.041 nan 8.250 nan 0.000 0.441 350 V N 2.816 122.635 119.914 -0.159 0.000 2.585 350 V HA 0.003 3.913 4.120 -0.351 0.000 0.296 350 V C 0.577 176.628 176.094 -0.071 0.000 1.035 350 V CA -0.206 61.968 62.300 -0.211 0.000 1.084 350 V CB 0.611 32.215 31.823 -0.365 0.000 0.953 350 V HN 0.999 nan 8.190 nan 0.000 0.483 351 T N 2.509 117.016 114.554 -0.080 0.000 2.900 351 T HA 0.469 4.609 4.350 -0.351 0.000 0.307 351 T C 0.093 174.801 174.700 0.014 0.000 1.065 351 T CA 0.007 62.090 62.100 -0.027 0.000 1.105 351 T CB 1.504 70.347 68.868 -0.041 0.000 0.979 351 T HN 0.786 nan 8.240 nan 0.000 0.544 352 S N -0.145 115.564 115.700 0.016 0.000 2.880 352 S HA 0.639 4.898 4.470 -0.351 0.000 0.308 352 S C -1.573 173.033 174.600 0.009 0.000 1.195 352 S CA -0.657 57.547 58.200 0.007 0.000 0.866 352 S CB 1.326 64.479 63.200 -0.077 0.000 1.254 352 S HN 1.277 nan 8.310 nan 0.000 0.571 353 C N 1.783 121.086 119.300 0.005 0.000 2.609 353 C HA 0.600 4.849 4.460 -0.351 0.000 0.313 353 C C 1.549 176.554 174.990 0.026 0.000 1.175 353 C CA -0.659 58.372 59.018 0.020 0.000 1.434 353 C CB 0.288 28.045 27.740 0.028 0.000 2.005 353 C HN 1.030 nan 8.230 nan 0.000 0.471 354 L N 4.876 126.126 121.223 0.045 0.000 2.042 354 L HA -0.052 4.078 4.340 -0.351 0.000 0.210 354 L C 2.047 178.984 176.870 0.112 0.000 1.076 354 L CA 2.827 57.719 54.840 0.086 0.000 0.749 354 L CB 0.092 42.225 42.059 0.124 0.000 0.893 354 L HN 0.839 nan 8.230 nan 0.000 0.432 355 V N -3.105 116.858 119.914 0.082 0.000 3.406 355 V HA 0.130 4.039 4.120 -0.351 0.000 0.263 355 V C 0.511 176.626 176.094 0.035 0.000 1.172 355 V CA 0.604 62.949 62.300 0.074 0.000 1.140 355 V CB -0.631 31.173 31.823 -0.032 0.000 0.784 355 V HN 0.580 nan 8.190 nan 0.000 0.467 356 N N 0.650 119.366 118.700 0.025 0.000 2.707 356 N HA 0.436 4.965 4.740 -0.351 0.000 0.249 356 N C -2.365 173.161 175.510 0.027 0.000 1.299 356 N CA -1.808 51.259 53.050 0.029 0.000 0.769 356 N CB 1.701 40.193 38.487 0.008 0.000 1.236 356 N HN 0.013 nan 8.380 nan 0.000 0.524 357 P HA -0.042 nan 4.420 nan 0.000 0.223 357 P C 0.713 177.975 177.300 -0.064 0.000 1.144 357 P CA 0.962 64.037 63.100 -0.042 0.000 0.783 357 P CB 0.265 31.950 31.700 -0.027 0.000 0.771 358 R N -0.712 119.798 120.500 0.018 0.000 2.275 358 R HA 0.222 4.352 4.340 -0.351 0.000 0.199 358 R C 0.835 177.210 176.300 0.125 0.000 0.989 358 R CA -0.040 56.100 56.100 0.066 0.000 1.016 358 R CB -0.256 30.092 30.300 0.080 0.000 0.918 358 R HN 0.100 nan 8.270 nan 0.000 0.473 359 A N 0.649 123.535 122.820 0.110 0.000 2.545 359 A HA 0.042 4.151 4.320 -0.351 0.000 0.253 359 A C 0.991 178.660 177.584 0.141 0.000 1.074 359 A CA 0.094 52.223 52.037 0.154 0.000 0.760 359 A CB -0.341 18.730 19.000 0.120 0.000 1.005 359 A HN 0.646 nan 8.150 nan 0.000 0.506 360 C N 0.914 120.199 119.300 -0.024 0.000 4.400 360 C HA -0.153 4.096 4.460 -0.351 0.000 0.275 360 C C 0.677 175.515 174.990 -0.253 0.000 1.391 360 C CA 1.527 60.335 59.018 -0.351 0.000 1.816 360 C CB -3.092 24.353 27.740 -0.493 0.000 1.404 360 C HN 1.057 nan 8.230 nan 0.000 0.754 361 H N -1.190 117.834 119.070 -0.076 0.000 2.985 361 H HA 0.130 4.478 4.556 -0.347 0.000 0.246 361 H C 1.532 176.864 175.328 0.007 0.000 1.181 361 H CA 0.359 56.384 56.048 -0.038 0.000 0.972 361 H CB 0.227 29.970 29.762 -0.032 0.000 2.016 361 H HN 0.572 nan 8.280 nan 0.000 0.672 362 E N 0.289 120.562 120.200 0.123 0.000 2.153 362 E HA -0.166 3.973 4.350 -0.351 0.000 0.194 362 E C 1.601 178.246 176.600 0.075 0.000 0.988 362 E CA 1.815 58.278 56.400 0.105 0.000 0.811 362 E CB -0.559 29.210 29.700 0.115 0.000 0.746 362 E HN 0.508 nan 8.360 nan 0.000 0.466 363 T N -0.314 114.272 114.554 0.052 0.000 2.904 363 T HA -0.017 4.123 4.350 -0.351 0.000 0.267 363 T C 1.712 176.437 174.700 0.042 0.000 1.059 363 T CA 0.910 63.032 62.100 0.037 0.000 1.137 363 T CB -0.121 68.757 68.868 0.017 0.000 0.879 363 T HN 0.167 nan 8.240 nan 0.000 0.467 364 K N 0.508 120.940 120.400 0.054 0.000 2.426 364 K HA 0.314 4.423 4.320 -0.351 0.000 0.193 364 K C 0.495 177.139 176.600 0.073 0.000 1.028 364 K CA 0.306 56.632 56.287 0.064 0.000 1.047 364 K CB 0.101 32.650 32.500 0.081 0.000 0.821 364 K HN 0.411 nan 8.250 nan 0.000 0.513 365 M N 1.374 121.020 119.600 0.076 0.000 2.693 365 M HA 0.251 4.521 4.480 -0.351 0.000 0.224 365 M C -2.705 173.630 176.300 0.058 0.000 1.149 365 M CA -1.759 53.581 55.300 0.066 0.000 0.622 365 M CB 1.350 33.993 32.600 0.073 0.000 1.443 365 M HN -0.282 nan 8.290 nan 0.000 0.431 366 P HA 0.189 nan 4.420 nan 0.000 0.272 366 P C -0.493 176.830 177.300 0.040 0.000 1.223 366 P CA 0.041 63.167 63.100 0.043 0.000 0.784 366 P CB 0.813 32.535 31.700 0.036 0.000 0.923 367 I N 2.842 123.434 120.570 0.037 0.000 2.479 367 I HA 0.183 4.143 4.170 -0.351 0.000 0.279 367 I C 0.032 176.163 176.117 0.023 0.000 1.102 367 I CA -0.390 60.929 61.300 0.031 0.000 1.196 367 I CB -0.095 37.925 38.000 0.032 0.000 1.427 367 I HN 0.110 nan 8.210 nan 0.000 0.503 368 L N 6.606 127.843 121.223 0.022 0.000 2.417 368 L HA 0.236 4.365 4.340 -0.351 0.000 0.268 368 L C -1.042 175.829 176.870 0.002 0.000 1.158 368 L CA -1.397 53.452 54.840 0.015 0.000 0.819 368 L CB 0.006 42.077 42.059 0.019 0.000 1.112 368 L HN 0.246 nan 8.230 nan 0.000 0.458 369 P HA -0.243 nan 4.420 nan 0.000 0.209 369 P C -0.576 176.688 177.300 -0.060 0.000 1.080 369 P CA 1.631 64.713 63.100 -0.030 0.000 0.971 369 P CB 0.146 31.831 31.700 -0.026 0.000 0.768 370 A N -3.507 119.278 122.820 -0.058 0.000 2.483 370 A HA 0.299 4.409 4.320 -0.351 0.000 0.315 370 A C 0.762 178.328 177.584 -0.031 0.000 1.027 370 A CA -0.571 51.410 52.037 -0.094 0.000 0.996 370 A CB -0.110 18.723 19.000 -0.279 0.000 1.288 370 A HN -0.076 nan 8.150 nan 0.000 0.371 371 V N 1.348 121.282 119.914 0.034 0.000 2.280 371 V HA -0.227 3.683 4.120 -0.351 0.000 0.258 371 V C 0.798 176.915 176.094 0.039 0.000 1.081 371 V CA 2.343 64.672 62.300 0.050 0.000 1.070 371 V CB -0.711 31.162 31.823 0.085 0.000 0.666 371 V HN 0.899 nan 8.190 nan 0.000 0.450 372 Q N -1.795 118.033 119.800 0.047 0.000 2.825 372 Q HA 0.249 4.379 4.340 -0.351 0.000 0.219 372 Q C -0.748 175.292 176.000 0.067 0.000 0.942 372 Q CA -0.312 55.514 55.803 0.037 0.000 1.147 372 Q CB 1.195 29.966 28.738 0.054 0.000 1.723 372 Q HN 0.544 nan 8.270 nan 0.000 0.541 373 K N 1.507 121.895 120.400 -0.020 0.000 2.552 373 K HA 0.112 4.221 4.320 -0.351 0.000 0.276 373 K C -0.214 176.506 176.600 0.201 0.000 0.960 373 K CA 0.650 56.934 56.287 -0.005 0.000 0.961 373 K CB 0.348 32.834 32.500 -0.023 0.000 0.902 373 K HN 0.365 nan 8.250 nan 0.000 0.515 374 K N 0.567 121.184 120.400 0.363 0.000 2.597 374 K HA 0.173 4.282 4.320 -0.351 0.000 0.282 374 K C -1.338 175.413 176.600 0.252 0.000 0.975 374 K CA -0.796 55.658 56.287 0.279 0.000 0.867 374 K CB 1.370 34.009 32.500 0.233 0.000 1.465 374 K HN 0.410 nan 8.250 nan 0.000 0.417 375 N N 2.644 121.468 118.700 0.206 0.000 2.527 375 N HA 0.313 4.842 4.740 -0.351 0.000 0.236 375 N C -1.140 174.560 175.510 0.316 0.000 0.999 375 N CA -0.166 53.033 53.050 0.248 0.000 0.935 375 N CB 0.306 38.925 38.487 0.220 0.000 1.132 375 N HN 0.458 nan 8.380 nan 0.000 0.511 376 L N 1.431 122.795 121.223 0.235 0.000 2.387 376 L HA 0.761 4.891 4.340 -0.351 0.000 0.266 376 L C 0.352 177.160 176.870 -0.104 0.000 1.059 376 L CA -1.056 53.866 54.840 0.137 0.000 0.801 376 L CB 1.455 43.605 42.059 0.152 0.000 1.223 376 L HN 0.400 nan 8.230 nan 0.000 0.456 377 A N 1.507 124.158 122.820 -0.282 0.000 2.353 377 A HA 0.700 4.809 4.320 -0.351 0.000 0.299 377 A C -1.037 176.443 177.584 -0.174 0.000 1.089 377 A CA -0.437 51.270 52.037 -0.550 0.000 0.736 377 A CB 1.451 19.752 19.000 -1.164 0.000 1.195 377 A HN 0.350 nan 8.150 nan 0.000 0.447 378 V N 3.220 123.104 119.914 -0.049 0.000 2.384 378 V HA 0.357 4.266 4.120 -0.351 0.000 0.287 378 V C -0.186 175.948 176.094 0.067 0.000 1.020 378 V CA -0.559 61.742 62.300 0.002 0.000 0.850 378 V CB 1.505 33.367 31.823 0.065 0.000 0.987 378 V HN 0.615 nan 8.190 nan 0.000 0.436 379 V N 4.298 124.216 119.914 0.006 0.000 2.334 379 V HA 0.842 4.751 4.120 -0.351 0.000 0.267 379 V C 0.660 176.751 176.094 -0.005 0.000 1.040 379 V CA 0.317 62.628 62.300 0.019 0.000 0.866 379 V CB 0.522 32.312 31.823 -0.056 0.000 1.019 379 V HN 1.262 nan 8.190 nan 0.000 0.468 380 G N 4.081 112.894 108.800 0.022 0.000 3.363 380 G HA2 0.285 4.035 3.960 -0.351 0.000 0.685 380 G HA3 0.285 4.035 3.960 -0.351 0.000 0.685 380 G C -0.137 174.748 174.900 -0.024 0.000 1.199 380 G CA -0.321 44.774 45.100 -0.007 0.000 0.946 380 G HN 1.300 nan 8.290 nan 0.000 0.558 381 A N 1.579 124.388 122.820 -0.018 0.000 2.640 381 A HA 0.735 4.844 4.320 -0.351 0.000 0.282 381 A C 1.460 178.986 177.584 -0.097 0.000 1.357 381 A CA 1.142 53.147 52.037 -0.054 0.000 0.946 381 A CB -0.250 18.736 19.000 -0.023 0.000 1.065 381 A HN 2.046 nan 8.150 nan 0.000 0.541 382 G N 0.041 108.769 108.800 -0.119 0.000 2.563 382 G HA2 0.418 4.167 3.960 -0.351 0.000 0.283 382 G HA3 0.418 4.167 3.960 -0.351 0.000 0.283 382 G C -0.842 173.878 174.900 -0.301 0.000 1.309 382 G CA -0.875 44.110 45.100 -0.193 0.000 1.022 382 G HN 0.116 nan 8.290 nan 0.000 0.501 383 P HA -0.162 nan 4.420 nan 0.000 0.218 383 P C 1.762 178.891 177.300 -0.285 0.000 1.146 383 P CA 1.910 64.742 63.100 -0.447 0.000 0.813 383 P CB 0.107 31.447 31.700 -0.601 0.000 0.778 384 A N 0.633 123.328 122.820 -0.207 0.000 1.841 384 A HA -0.026 4.084 4.320 -0.351 0.000 0.214 384 A C 2.662 180.194 177.584 -0.087 0.000 1.195 384 A CA 2.079 54.046 52.037 -0.116 0.000 0.611 384 A CB -1.916 17.023 19.000 -0.101 0.000 0.835 384 A HN 0.276 nan 8.150 nan 0.000 0.443 385 G N -0.085 108.651 108.800 -0.107 0.000 2.433 385 G HA2 -0.188 3.561 3.960 -0.351 0.000 0.216 385 G HA3 -0.188 3.561 3.960 -0.351 0.000 0.216 385 G C 1.581 176.434 174.900 -0.078 0.000 1.186 385 G CA 1.088 46.155 45.100 -0.054 0.000 0.779 385 G HN 0.411 nan 8.290 nan 0.000 0.543 386 L N 0.818 121.888 121.223 -0.254 0.000 2.013 386 L HA -0.201 3.929 4.340 -0.351 0.000 0.212 386 L C 3.464 180.109 176.870 -0.375 0.000 1.073 386 L CA 1.390 55.959 54.840 -0.451 0.000 0.753 386 L CB -0.605 40.875 42.059 -0.965 0.000 0.890 386 L HN 0.329 nan 8.230 nan 0.000 0.432 387 A N -0.218 122.420 122.820 -0.302 0.000 1.883 387 A HA -0.285 3.825 4.320 -0.351 0.000 0.217 387 A C 2.181 179.793 177.584 0.047 0.000 1.186 387 A CA 1.906 53.941 52.037 -0.004 0.000 0.624 387 A CB -0.900 18.139 19.000 0.064 0.000 0.822 387 A HN 0.419 nan 8.150 nan 0.000 0.444 388 F N 0.875 120.781 119.950 -0.073 0.000 2.113 388 F HA -0.008 4.308 4.527 -0.351 0.000 0.297 388 F C 2.536 178.310 175.800 -0.044 0.000 1.103 388 F CA 1.162 59.130 58.000 -0.054 0.000 1.248 388 F CB -0.601 38.355 39.000 -0.074 0.000 0.999 388 F HN 0.266 nan 8.300 nan 0.000 0.475 389 A N 1.540 124.323 122.820 -0.061 0.000 1.859 389 A HA -0.226 3.884 4.320 -0.351 0.000 0.217 389 A C 2.289 179.768 177.584 -0.175 0.000 1.198 389 A CA 2.526 54.484 52.037 -0.131 0.000 0.629 389 A CB -1.684 17.290 19.000 -0.043 0.000 0.830 389 A HN 0.666 nan 8.150 nan 0.000 0.446 390 I N -3.403 117.108 120.570 -0.098 0.000 2.493 390 I HA -0.143 3.816 4.170 -0.351 0.000 0.254 390 I C 1.774 177.849 176.117 -0.069 0.000 1.160 390 I CA 1.890 63.156 61.300 -0.057 0.000 1.445 390 I CB -0.498 37.511 38.000 0.016 0.000 1.086 390 I HN 0.175 nan 8.210 nan 0.000 0.433 391 N N 1.742 120.381 118.700 -0.102 0.000 2.300 391 N HA 0.015 4.544 4.740 -0.351 0.000 0.179 391 N C 1.968 177.378 175.510 -0.167 0.000 1.016 391 N CA 1.452 54.444 53.050 -0.097 0.000 0.876 391 N CB 0.112 38.557 38.487 -0.071 0.000 0.979 391 N HN 0.557 nan 8.380 nan 0.000 0.432 392 A N 0.773 123.386 122.820 -0.344 0.000 1.930 392 A HA 0.198 4.308 4.320 -0.351 0.000 0.215 392 A C 2.260 179.799 177.584 -0.076 0.000 1.176 392 A CA 1.299 53.156 52.037 -0.299 0.000 0.632 392 A CB -0.417 18.124 19.000 -0.765 0.000 0.819 392 A HN 0.263 nan 8.150 nan 0.000 0.445 393 A N -0.225 122.530 122.820 -0.108 0.000 2.014 393 A HA 0.302 4.412 4.320 -0.351 0.000 0.218 393 A C 2.255 179.814 177.584 -0.042 0.000 1.163 393 A CA 1.538 53.547 52.037 -0.047 0.000 0.652 393 A CB -0.643 18.324 19.000 -0.055 0.000 0.808 393 A HN 0.957 nan 8.150 nan 0.000 0.449 394 A N -0.622 122.170 122.820 -0.046 0.000 2.167 394 A HA 0.048 4.158 4.320 -0.351 0.000 0.214 394 A C 2.052 179.615 177.584 -0.034 0.000 1.151 394 A CA 0.814 52.833 52.037 -0.031 0.000 0.735 394 A CB -0.271 18.719 19.000 -0.017 0.000 0.802 394 A HN 0.516 nan 8.150 nan 0.000 0.467 395 R N -1.870 118.604 120.500 -0.045 0.000 2.254 395 R HA 0.228 4.357 4.340 -0.351 0.000 0.195 395 R C 1.377 177.587 176.300 -0.149 0.000 0.957 395 R CA 0.715 56.775 56.100 -0.066 0.000 1.024 395 R CB 0.215 30.503 30.300 -0.020 0.000 0.952 395 R HN 0.589 nan 8.270 nan 0.000 0.484 396 G N -0.243 108.473 108.800 -0.140 0.000 2.336 396 G HA2 -0.174 3.575 3.960 -0.351 0.000 0.194 396 G HA3 -0.174 3.575 3.960 -0.351 0.000 0.194 396 G C -0.089 174.712 174.900 -0.166 0.000 0.999 396 G CA -0.613 44.389 45.100 -0.164 0.000 0.669 396 G HN 0.239 nan 8.290 nan 0.000 0.482 397 H N 1.017 120.072 119.070 -0.025 0.000 2.771 397 H HA 0.341 4.686 4.556 -0.351 0.000 0.364 397 H C 0.568 175.893 175.328 -0.005 0.000 1.133 397 H CA 0.719 56.763 56.048 -0.007 0.000 1.423 397 H CB 0.893 30.643 29.762 -0.021 0.000 1.425 397 H HN 0.491 nan 8.280 nan 0.000 0.606 398 Q N 1.903 121.801 119.800 0.163 0.000 2.274 398 Q HA 0.404 4.534 4.340 -0.351 0.000 0.256 398 Q C -1.385 174.681 176.000 0.110 0.000 0.927 398 Q CA -0.658 55.209 55.803 0.107 0.000 0.939 398 Q CB 0.670 29.476 28.738 0.113 0.000 1.201 398 Q HN 0.330 nan 8.270 nan 0.000 0.426 399 V N 3.324 123.268 119.914 0.049 0.000 2.604 399 V HA 0.461 4.371 4.120 -0.351 0.000 0.305 399 V C -0.523 175.541 176.094 -0.050 0.000 1.043 399 V CA -0.727 61.579 62.300 0.010 0.000 0.888 399 V CB 2.178 33.985 31.823 -0.026 0.000 0.995 399 V HN 0.845 nan 8.190 nan 0.000 0.429 400 T N 5.566 120.046 114.554 -0.125 0.000 2.912 400 T HA 0.427 4.567 4.350 -0.351 0.000 0.326 400 T C -0.655 173.767 174.700 -0.463 0.000 1.080 400 T CA -0.202 61.713 62.100 -0.309 0.000 1.000 400 T CB 0.903 69.615 68.868 -0.259 0.000 1.008 400 T HN 0.395 nan 8.240 nan 0.000 0.473 401 L N 5.068 126.049 121.223 -0.404 0.000 2.261 401 L HA 0.600 4.730 4.340 -0.351 0.000 0.289 401 L C -1.247 175.398 176.870 -0.375 0.000 1.059 401 L CA -0.361 54.311 54.840 -0.279 0.000 0.816 401 L CB -0.464 41.503 42.059 -0.154 0.000 1.191 401 L HN 0.423 nan 8.230 nan 0.000 0.431 402 F N 3.474 123.360 119.950 -0.107 0.000 2.432 402 F HA 0.591 4.907 4.527 -0.351 0.000 0.329 402 F C 0.353 176.121 175.800 -0.053 0.000 1.076 402 F CA -0.504 57.441 58.000 -0.091 0.000 1.018 402 F CB 1.407 40.369 39.000 -0.063 0.000 1.201 402 F HN 0.429 nan 8.300 nan 0.000 0.489 403 D N 0.281 120.787 120.400 0.176 0.000 2.878 403 D HA 0.284 4.714 4.640 -0.351 0.000 0.211 403 D C -0.055 176.290 176.300 0.076 0.000 1.271 403 D CA -0.319 53.736 54.000 0.092 0.000 0.845 403 D CB 2.162 43.002 40.800 0.067 0.000 1.679 403 D HN 0.596 nan 8.370 nan 0.000 0.536 404 A N 3.151 125.948 122.820 -0.037 0.000 2.121 404 A HA -0.046 4.063 4.320 -0.351 0.000 0.218 404 A C 0.942 178.445 177.584 -0.135 0.000 1.154 404 A CA 0.949 52.921 52.037 -0.109 0.000 0.679 404 A CB -0.226 18.640 19.000 -0.225 0.000 0.795 404 A HN 0.562 nan 8.150 nan 0.000 0.458 405 H N -0.485 118.612 119.070 0.045 0.000 2.544 405 H HA 0.235 4.580 4.556 -0.351 0.000 0.365 405 H C 1.570 176.926 175.328 0.045 0.000 1.268 405 H CA 0.410 56.479 56.048 0.035 0.000 1.400 405 H CB 0.926 30.701 29.762 0.021 0.000 1.538 405 H HN 0.346 nan 8.280 nan 0.000 0.597 406 S N -0.527 115.290 115.700 0.195 0.000 2.607 406 S HA -0.010 4.250 4.470 -0.351 0.000 0.224 406 S C 0.211 174.870 174.600 0.097 0.000 0.969 406 S CA 0.095 58.366 58.200 0.119 0.000 0.927 406 S CB -0.334 62.921 63.200 0.092 0.000 0.772 406 S HN 0.697 nan 8.310 nan 0.000 0.533 407 E N 0.641 120.905 120.200 0.106 0.000 2.375 407 E HA 0.533 4.672 4.350 -0.351 0.000 0.280 407 E C -0.284 176.360 176.600 0.073 0.000 0.972 407 E CA -1.325 55.119 56.400 0.074 0.000 0.782 407 E CB 0.939 30.672 29.700 0.056 0.000 1.229 407 E HN 0.313 nan 8.360 nan 0.000 0.439 408 I N -0.871 119.732 120.570 0.055 0.000 3.060 408 I HA 0.588 4.547 4.170 -0.351 0.000 0.285 408 I C 0.844 176.986 176.117 0.041 0.000 1.190 408 I CA 0.753 62.077 61.300 0.040 0.000 1.363 408 I CB 0.484 38.499 38.000 0.025 0.000 1.396 408 I HN 0.919 nan 8.210 nan 0.000 0.607 409 G N 1.402 110.211 108.800 0.016 0.000 2.617 409 G HA2 0.129 3.878 3.960 -0.351 0.000 0.197 409 G HA3 0.129 3.878 3.960 -0.351 0.000 0.197 409 G C 0.856 175.739 174.900 -0.028 0.000 1.017 409 G CA 0.066 45.181 45.100 0.026 0.000 0.713 409 G HN 1.981 nan 8.290 nan 0.000 0.481 410 G N 0.595 109.387 108.800 -0.013 0.000 2.596 410 G HA2 -0.348 3.402 3.960 -0.351 0.000 0.295 410 G HA3 -0.348 3.402 3.960 -0.351 0.000 0.295 410 G C 0.934 175.815 174.900 -0.031 0.000 1.240 410 G CA 1.377 46.470 45.100 -0.013 0.000 0.985 410 G HN 1.161 nan 8.290 nan 0.000 0.555 411 Q N -0.559 119.221 119.800 -0.032 0.000 2.291 411 Q HA 0.014 4.143 4.340 -0.351 0.000 0.206 411 Q C 2.413 178.443 176.000 0.051 0.000 0.976 411 Q CA 1.243 57.048 55.803 0.003 0.000 0.875 411 Q CB -0.106 28.640 28.738 0.014 0.000 0.927 411 Q HN 0.482 nan 8.270 nan 0.000 0.450 412 F N 1.516 121.341 119.950 -0.208 0.000 2.307 412 F HA -0.150 4.166 4.527 -0.352 0.000 0.301 412 F C 1.733 177.363 175.800 -0.283 0.000 1.076 412 F CA 0.660 58.467 58.000 -0.321 0.000 1.383 412 F CB -0.278 38.591 39.000 -0.219 0.000 1.055 412 F HN 0.158 nan 8.300 nan 0.000 0.526 413 N N -0.087 118.595 118.700 -0.031 0.000 2.494 413 N HA -0.024 4.506 4.740 -0.351 0.000 0.182 413 N C 1.923 177.359 175.510 -0.124 0.000 1.076 413 N CA 0.690 53.669 53.050 -0.120 0.000 0.908 413 N CB 0.238 38.652 38.487 -0.122 0.000 0.967 413 N HN 0.321 nan 8.380 nan 0.000 0.449 414 I N -0.039 120.470 120.570 -0.102 0.000 3.039 414 I HA 0.036 3.995 4.170 -0.351 0.000 0.270 414 I C 2.236 178.291 176.117 -0.103 0.000 1.150 414 I CA 0.168 61.417 61.300 -0.085 0.000 1.448 414 I CB -0.187 37.788 38.000 -0.041 0.000 1.197 414 I HN -0.074 nan 8.210 nan 0.000 0.450 415 A N 2.500 125.217 122.820 -0.172 0.000 1.883 415 A HA -0.263 3.846 4.320 -0.351 0.000 0.217 415 A C 2.278 179.798 177.584 -0.107 0.000 1.186 415 A CA 2.300 54.184 52.037 -0.255 0.000 0.624 415 A CB -0.749 17.815 19.000 -0.726 0.000 0.822 415 A HN 0.530 nan 8.150 nan 0.000 0.444 416 K N -0.334 119.968 120.400 -0.165 0.000 2.360 416 K HA -0.186 3.923 4.320 -0.351 0.000 0.201 416 K C 1.352 178.043 176.600 0.152 0.000 1.046 416 K CA 1.718 58.012 56.287 0.011 0.000 0.940 416 K CB -0.272 31.982 32.500 -0.410 0.000 0.748 416 K HN 0.636 nan 8.250 nan 0.000 0.465 417 Q N 0.465 120.326 119.800 0.102 0.000 2.360 417 Q HA 0.156 4.285 4.340 -0.351 0.000 0.202 417 Q C -0.172 175.983 176.000 0.259 0.000 0.915 417 Q CA -0.203 55.721 55.803 0.200 0.000 0.943 417 Q CB 0.413 29.239 28.738 0.147 0.000 1.064 417 Q HN 0.268 nan 8.270 nan 0.000 0.511 418 I N 2.693 123.381 120.570 0.195 0.000 2.416 418 I HA 0.181 4.141 4.170 -0.351 0.000 0.288 418 I C -2.177 174.049 176.117 0.182 0.000 1.051 418 I CA -2.953 58.473 61.300 0.211 0.000 1.375 418 I CB 0.197 38.271 38.000 0.124 0.000 1.407 418 I HN -0.208 nan 8.210 nan 0.000 0.516 419 P HA 0.106 nan 4.420 nan 0.000 0.264 419 P C 0.792 178.143 177.300 0.085 0.000 1.183 419 P CA 0.684 63.843 63.100 0.099 0.000 0.763 419 P CB 0.513 32.248 31.700 0.058 0.000 0.807 420 G N 2.370 111.220 108.800 0.082 0.000 2.143 420 G HA2 -0.280 3.469 3.960 -0.351 0.000 0.249 420 G HA3 -0.280 3.469 3.960 -0.351 0.000 0.249 420 G C 0.524 175.452 174.900 0.047 0.000 0.981 420 G CA 0.039 45.181 45.100 0.071 0.000 0.665 420 G HN 0.578 nan 8.290 nan 0.000 0.528 421 K N -0.001 120.446 120.400 0.078 0.000 2.589 421 K HA 0.116 4.225 4.320 -0.351 0.000 0.198 421 K C 1.555 178.230 176.600 0.126 0.000 1.114 421 K CA 0.275 56.601 56.287 0.065 0.000 1.070 421 K CB 0.446 33.105 32.500 0.266 0.000 0.860 421 K HN 0.394 nan 8.250 nan 0.000 0.536 422 E N 0.851 121.132 120.200 0.135 0.000 2.401 422 E HA -0.209 3.931 4.350 -0.351 0.000 0.199 422 E C 1.130 177.855 176.600 0.208 0.000 1.023 422 E CA 0.999 57.556 56.400 0.261 0.000 0.859 422 E CB 0.177 29.967 29.700 0.150 0.000 0.780 422 E HN 0.150 nan 8.360 nan 0.000 0.523 423 E N 0.355 120.545 120.200 -0.017 0.000 2.265 423 E HA -0.095 4.045 4.350 -0.351 0.000 0.196 423 E C 1.132 177.672 176.600 -0.099 0.000 0.996 423 E CA 0.412 56.752 56.400 -0.102 0.000 0.832 423 E CB -0.474 29.084 29.700 -0.237 0.000 0.756 423 E HN 0.241 nan 8.360 nan 0.000 0.491 424 F N -0.853 119.058 119.950 -0.066 0.000 2.333 424 F HA -0.159 4.158 4.527 -0.350 0.000 0.300 424 F C 1.464 177.199 175.800 -0.107 0.000 1.083 424 F CA 0.828 58.693 58.000 -0.224 0.000 1.395 424 F CB -0.550 38.182 39.000 -0.447 0.000 1.056 424 F HN 0.163 nan 8.300 nan 0.000 0.529 425 Y N 0.362 120.735 120.300 0.121 0.000 2.274 425 Y HA -0.205 4.134 4.550 -0.351 0.000 0.290 425 Y C 2.367 178.329 175.900 0.102 0.000 1.145 425 Y CA 1.324 59.488 58.100 0.107 0.000 1.203 425 Y CB -0.375 38.127 38.460 0.070 0.000 0.984 425 Y HN -0.022 nan 8.280 nan 0.000 0.533 426 E N -0.566 119.761 120.200 0.212 0.000 2.051 426 E HA -0.154 3.986 4.350 -0.351 0.000 0.192 426 E C 2.201 178.888 176.600 0.145 0.000 0.991 426 E CA 1.766 58.245 56.400 0.132 0.000 0.799 426 E CB -0.790 28.935 29.700 0.041 0.000 0.748 426 E HN 0.411 nan 8.360 nan 0.000 0.449 427 T N 2.253 116.898 114.554 0.152 0.000 2.759 427 T HA -0.107 4.033 4.350 -0.351 0.000 0.269 427 T C 2.129 177.024 174.700 0.325 0.000 1.042 427 T CA 0.920 63.143 62.100 0.206 0.000 1.140 427 T CB -0.212 68.864 68.868 0.348 0.000 0.864 427 T HN 0.095 nan 8.240 nan 0.000 0.455 428 L N 0.488 121.911 121.223 0.334 0.000 2.109 428 L HA 0.001 4.131 4.340 -0.351 0.000 0.207 428 L C 2.981 179.998 176.870 0.245 0.000 1.086 428 L CA 0.952 55.986 54.840 0.324 0.000 0.760 428 L CB -0.580 41.612 42.059 0.221 0.000 0.910 428 L HN 0.102 nan 8.230 nan 0.000 0.437 429 R N 0.253 120.879 120.500 0.211 0.000 2.081 429 R HA -0.244 3.886 4.340 -0.351 0.000 0.235 429 R C 2.357 178.747 176.300 0.150 0.000 1.131 429 R CA 1.873 58.073 56.100 0.166 0.000 0.960 429 R CB -0.715 29.678 30.300 0.155 0.000 0.856 429 R HN 0.329 nan 8.270 nan 0.000 0.436 430 Y N 0.531 120.848 120.300 0.027 0.000 2.089 430 Y HA -0.278 4.062 4.550 -0.350 0.000 0.282 430 Y C 1.903 177.795 175.900 -0.013 0.000 1.139 430 Y CA 1.922 59.993 58.100 -0.049 0.000 1.123 430 Y CB -0.892 37.464 38.460 -0.173 0.000 0.980 430 Y HN 0.016 nan 8.280 nan 0.000 0.493 431 Y N 0.540 120.795 120.300 -0.075 0.000 2.224 431 Y HA -0.183 4.157 4.550 -0.351 0.000 0.289 431 Y C 2.871 178.688 175.900 -0.137 0.000 1.146 431 Y CA 1.753 59.745 58.100 -0.181 0.000 1.182 431 Y CB -0.776 37.699 38.460 0.024 0.000 0.983 431 Y HN 0.131 nan 8.280 nan 0.000 0.524 432 R N 0.170 120.738 120.500 0.113 0.000 2.091 432 R HA -0.228 3.901 4.340 -0.351 0.000 0.238 432 R C 2.366 178.668 176.300 0.002 0.000 1.136 432 R CA 1.825 57.961 56.100 0.061 0.000 0.959 432 R CB -0.109 30.239 30.300 0.081 0.000 0.856 432 R HN 0.173 nan 8.270 nan 0.000 0.437 433 R N -0.225 120.255 120.500 -0.032 0.000 2.090 433 R HA 0.007 4.137 4.340 -0.351 0.000 0.228 433 R C 1.948 178.186 176.300 -0.103 0.000 1.110 433 R CA 1.249 57.318 56.100 -0.051 0.000 0.973 433 R CB -0.078 30.203 30.300 -0.033 0.000 0.869 433 R HN 0.148 nan 8.270 nan 0.000 0.440 434 M N 0.035 119.509 119.600 -0.210 0.000 2.394 434 M HA -0.007 4.263 4.480 -0.351 0.000 0.264 434 M C 1.981 178.220 176.300 -0.101 0.000 1.073 434 M CA 1.058 56.230 55.300 -0.213 0.000 1.111 434 M CB -0.528 31.823 32.600 -0.415 0.000 1.401 434 M HN 0.203 nan 8.290 nan 0.000 0.448 435 I N 0.177 120.707 120.570 -0.067 0.000 2.142 435 I HA -0.305 3.655 4.170 -0.351 0.000 0.240 435 I C 2.228 178.319 176.117 -0.044 0.000 1.078 435 I CA 1.306 62.578 61.300 -0.047 0.000 1.343 435 I CB -0.234 37.745 38.000 -0.035 0.000 1.046 435 I HN 0.354 nan 8.210 nan 0.000 0.405 436 E N 0.239 120.417 120.200 -0.037 0.000 2.038 436 E HA -0.212 3.928 4.350 -0.351 0.000 0.195 436 E C 2.282 178.865 176.600 -0.028 0.000 1.000 436 E CA 1.593 57.976 56.400 -0.028 0.000 0.803 436 E CB -0.246 29.443 29.700 -0.018 0.000 0.750 436 E HN 0.283 nan 8.360 nan 0.000 0.448 437 V N 1.567 121.460 119.914 -0.035 0.000 2.287 437 V HA -0.261 3.648 4.120 -0.351 0.000 0.248 437 V C 2.626 178.704 176.094 -0.027 0.000 1.053 437 V CA 2.292 64.575 62.300 -0.029 0.000 1.027 437 V CB -0.982 30.820 31.823 -0.036 0.000 0.646 437 V HN 0.515 nan 8.190 nan 0.000 0.447 438 T N -2.658 111.875 114.554 -0.036 0.000 3.113 438 T HA 0.282 4.422 4.350 -0.351 0.000 0.256 438 T C 1.470 176.152 174.700 -0.030 0.000 1.131 438 T CA 0.848 62.929 62.100 -0.032 0.000 1.074 438 T CB 0.439 69.284 68.868 -0.039 0.000 0.944 438 T HN 1.054 nan 8.240 nan 0.000 0.516 439 G N 0.804 109.586 108.800 -0.030 0.000 2.132 439 G HA2 -0.211 3.538 3.960 -0.351 0.000 0.234 439 G HA3 -0.211 3.538 3.960 -0.351 0.000 0.234 439 G C -0.000 174.880 174.900 -0.033 0.000 0.989 439 G CA -0.184 44.900 45.100 -0.026 0.000 0.676 439 G HN 0.673 nan 8.290 nan 0.000 0.522 440 V N 1.322 121.209 119.914 -0.045 0.000 2.529 440 V HA 0.422 4.331 4.120 -0.351 0.000 0.292 440 V C 1.315 177.365 176.094 -0.074 0.000 1.028 440 V CA 0.997 63.261 62.300 -0.060 0.000 1.074 440 V CB 1.394 33.174 31.823 -0.071 0.000 0.958 440 V HN 0.538 nan 8.190 nan 0.000 0.481 441 T N 6.912 121.412 114.554 -0.090 0.000 2.727 441 T HA 0.368 4.508 4.350 -0.351 0.000 0.295 441 T C -0.623 173.961 174.700 -0.192 0.000 0.915 441 T CA -0.455 61.576 62.100 -0.115 0.000 1.066 441 T CB -0.088 68.722 68.868 -0.097 0.000 0.891 441 T HN 0.447 nan 8.240 nan 0.000 0.516 442 L N 5.683 126.808 121.223 -0.164 0.000 2.292 442 L HA 0.572 4.702 4.340 -0.351 0.000 0.284 442 L C -0.348 176.383 176.870 -0.232 0.000 1.065 442 L CA 0.137 54.863 54.840 -0.190 0.000 0.806 442 L CB 0.763 42.758 42.059 -0.107 0.000 1.175 442 L HN 0.601 nan 8.230 nan 0.000 0.431 443 K N 6.724 126.921 120.400 -0.337 0.000 2.616 443 K HA 0.441 4.550 4.320 -0.351 0.000 0.241 443 K C -1.139 175.333 176.600 -0.213 0.000 0.961 443 K CA -0.443 55.599 56.287 -0.407 0.000 0.942 443 K CB 1.194 33.213 32.500 -0.803 0.000 1.153 443 K HN 0.573 nan 8.250 nan 0.000 0.452 444 L N 1.640 122.847 121.223 -0.027 0.000 2.431 444 L HA 0.295 4.425 4.340 -0.351 0.000 0.260 444 L C 0.744 177.773 176.870 0.264 0.000 1.098 444 L CA -0.695 54.204 54.840 0.100 0.000 0.800 444 L CB 0.406 42.513 42.059 0.079 0.000 1.210 444 L HN 0.729 nan 8.230 nan 0.000 0.465 445 N N -0.432 118.388 118.700 0.201 0.000 2.741 445 N HA -0.203 4.326 4.740 -0.351 0.000 0.251 445 N C -0.605 175.013 175.510 0.180 0.000 1.112 445 N CA 0.765 53.913 53.050 0.163 0.000 0.750 445 N CB -1.423 37.143 38.487 0.131 0.000 1.119 445 N HN 0.590 nan 8.380 nan 0.000 0.561 446 H N 0.156 119.267 119.070 0.069 0.000 2.638 446 H HA 0.313 4.658 4.556 -0.351 0.000 0.303 446 H C -0.219 175.124 175.328 0.024 0.000 1.034 446 H CA -0.074 56.028 56.048 0.089 0.000 1.225 446 H CB 0.929 30.839 29.762 0.248 0.000 1.394 446 H HN -0.079 nan 8.280 nan 0.000 0.477 447 T N 4.326 118.896 114.554 0.027 0.000 2.747 447 T HA 0.206 4.345 4.350 -0.351 0.000 0.301 447 T C 0.316 174.985 174.700 -0.052 0.000 0.952 447 T CA -0.578 61.505 62.100 -0.029 0.000 0.983 447 T CB -0.001 68.832 68.868 -0.058 0.000 0.930 447 T HN 0.208 nan 8.240 nan 0.000 0.494 448 V N 4.704 124.568 119.914 -0.084 0.000 2.614 448 V HA 0.282 4.191 4.120 -0.351 0.000 0.291 448 V C 0.865 176.881 176.094 -0.131 0.000 1.049 448 V CA -0.336 61.862 62.300 -0.170 0.000 1.038 448 V CB 1.014 32.643 31.823 -0.324 0.000 0.980 448 V HN 0.856 nan 8.190 nan 0.000 0.481 449 T N 3.113 117.595 114.554 -0.120 0.000 2.945 449 T HA 0.493 4.632 4.350 -0.351 0.000 0.286 449 T C 1.260 175.909 174.700 -0.086 0.000 1.025 449 T CA 0.192 62.240 62.100 -0.087 0.000 1.039 449 T CB 1.809 70.638 68.868 -0.065 0.000 1.068 449 T HN 0.790 nan 8.240 nan 0.000 0.497 450 A N 0.925 123.705 122.820 -0.066 0.000 2.076 450 A HA -0.098 4.012 4.320 -0.351 0.000 0.220 450 A C 1.416 178.974 177.584 -0.042 0.000 1.160 450 A CA 1.950 53.954 52.037 -0.055 0.000 0.653 450 A CB -0.685 18.288 19.000 -0.045 0.000 0.801 450 A HN 0.886 nan 8.150 nan 0.000 0.455 451 D N -0.947 119.429 120.400 -0.041 0.000 2.527 451 D HA 0.013 4.443 4.640 -0.351 0.000 0.249 451 D C 0.326 176.608 176.300 -0.029 0.000 1.029 451 D CA 0.183 54.165 54.000 -0.030 0.000 0.951 451 D CB -0.256 40.528 40.800 -0.027 0.000 1.093 451 D HN 0.126 nan 8.370 nan 0.000 0.464 452 Q N 1.401 121.177 119.800 -0.041 0.000 2.362 452 Q HA 0.050 4.179 4.340 -0.351 0.000 0.305 452 Q C -0.104 175.870 176.000 -0.044 0.000 1.120 452 Q CA 0.527 56.307 55.803 -0.038 0.000 1.011 452 Q CB -0.031 28.676 28.738 -0.052 0.000 1.048 452 Q HN 0.316 nan 8.270 nan 0.000 0.386 453 L N 3.280 124.507 121.223 0.007 0.000 2.975 453 L HA -0.319 3.811 4.340 -0.351 0.000 0.550 453 L C 0.170 177.117 176.870 0.129 0.000 1.001 453 L CA 0.552 55.438 54.840 0.078 0.000 1.291 453 L CB -0.719 41.407 42.059 0.110 0.000 1.434 453 L HN 0.867 nan 8.230 nan 0.000 0.696 454 Q N 0.742 120.625 119.800 0.139 0.000 1.753 454 Q HA 0.356 4.486 4.340 -0.351 0.000 0.170 454 Q C 0.219 176.277 176.000 0.097 0.000 0.799 454 Q CA 0.352 56.277 55.803 0.204 0.000 0.842 454 Q CB 0.127 28.913 28.738 0.079 0.000 1.238 454 Q HN 0.557 nan 8.270 nan 0.000 0.381 455 A N 0.553 123.293 122.820 -0.133 0.000 2.416 455 A HA 0.523 4.632 4.320 -0.351 0.000 0.252 455 A C -0.645 176.754 177.584 -0.308 0.000 1.353 455 A CA -0.165 51.744 52.037 -0.213 0.000 0.996 455 A CB -0.684 18.166 19.000 -0.251 0.000 0.961 455 A HN 0.275 nan 8.150 nan 0.000 0.523 456 F N -0.299 119.675 119.950 0.041 0.000 2.397 456 F HA 0.270 4.586 4.527 -0.351 0.000 0.331 456 F C 1.039 176.862 175.800 0.037 0.000 1.090 456 F CA -0.856 57.176 58.000 0.053 0.000 1.065 456 F CB 0.904 39.949 39.000 0.075 0.000 1.184 456 F HN 0.162 nan 8.300 nan 0.000 0.499 457 D N 0.919 121.451 120.400 0.220 0.000 2.123 457 D HA -0.126 4.303 4.640 -0.351 0.000 0.196 457 D C 0.088 176.460 176.300 0.121 0.000 0.992 457 D CA 1.619 55.700 54.000 0.136 0.000 0.833 457 D CB 0.158 41.034 40.800 0.126 0.000 0.954 457 D HN 0.619 nan 8.370 nan 0.000 0.455 458 E N -1.136 119.153 120.200 0.148 0.000 2.383 458 E HA 0.435 4.575 4.350 -0.351 0.000 0.275 458 E C -1.030 175.609 176.600 0.064 0.000 0.918 458 E CA -0.517 55.931 56.400 0.080 0.000 0.764 458 E CB 2.459 32.215 29.700 0.093 0.000 1.252 458 E HN -0.226 nan 8.360 nan 0.000 0.449 459 T N 1.377 115.919 114.554 -0.020 0.000 2.863 459 T HA 0.542 4.681 4.350 -0.351 0.000 0.285 459 T C -0.803 173.840 174.700 -0.096 0.000 1.009 459 T CA -0.553 61.508 62.100 -0.065 0.000 0.989 459 T CB 0.662 69.489 68.868 -0.068 0.000 1.004 459 T HN 0.195 nan 8.240 nan 0.000 0.455 460 I N 3.093 123.582 120.570 -0.133 0.000 2.437 460 I HA 0.319 4.279 4.170 -0.351 0.000 0.279 460 I C -0.329 175.681 176.117 -0.178 0.000 1.028 460 I CA -0.269 60.903 61.300 -0.214 0.000 1.142 460 I CB 1.055 38.723 38.000 -0.554 0.000 1.266 460 I HN 0.420 nan 8.210 nan 0.000 0.461 461 L N 5.387 126.531 121.223 -0.132 0.000 2.369 461 L HA 0.465 4.594 4.340 -0.351 0.000 0.279 461 L C 0.826 177.632 176.870 -0.107 0.000 1.108 461 L CA -0.101 54.676 54.840 -0.105 0.000 0.852 461 L CB 0.876 42.883 42.059 -0.086 0.000 1.169 461 L HN 0.786 nan 8.230 nan 0.000 0.452 462 A N 2.374 125.138 122.820 -0.095 0.000 2.705 462 A HA 0.300 4.409 4.320 -0.351 0.000 0.294 462 A C 0.645 178.189 177.584 -0.066 0.000 1.039 462 A CA -0.415 51.570 52.037 -0.088 0.000 1.005 462 A CB 0.107 19.051 19.000 -0.094 0.000 1.192 462 A HN 0.684 nan 8.150 nan 0.000 0.513 463 S N -0.819 114.846 115.700 -0.058 0.000 2.598 463 S HA 0.513 4.772 4.470 -0.351 0.000 0.256 463 S C 1.077 175.654 174.600 -0.040 0.000 1.350 463 S CA 0.088 58.260 58.200 -0.047 0.000 0.984 463 S CB 0.631 63.802 63.200 -0.048 0.000 0.930 463 S HN 0.744 nan 8.310 nan 0.000 0.577 464 G N -0.379 108.404 108.800 -0.027 0.000 3.286 464 G HA2 0.542 4.291 3.960 -0.351 0.000 0.173 464 G HA3 0.542 4.291 3.960 -0.351 0.000 0.173 464 G C -0.620 174.275 174.900 -0.009 0.000 1.704 464 G CA -0.332 44.758 45.100 -0.016 0.000 1.041 464 G HN 0.615 nan 8.290 nan 0.000 0.561 465 I N -1.613 118.963 120.570 0.009 0.000 3.042 465 I HA 0.530 4.490 4.170 -0.351 0.000 0.310 465 I C -0.956 175.174 176.117 0.023 0.000 1.117 465 I CA -0.843 60.468 61.300 0.019 0.000 1.003 465 I CB 2.631 40.654 38.000 0.039 0.000 1.228 465 I HN 0.128 nan 8.210 nan 0.000 0.443 466 V N 6.389 126.316 119.914 0.022 0.000 2.350 466 V HA 0.430 4.340 4.120 -0.351 0.000 0.285 466 V C -2.291 173.821 176.094 0.030 0.000 1.014 466 V CA -1.730 60.577 62.300 0.011 0.000 0.831 466 V CB 1.293 33.116 31.823 -0.000 0.000 1.000 466 V HN 0.606 nan 8.190 nan 0.000 0.433 467 P HA 0.035 nan 4.420 nan 0.000 0.266 467 P C -0.253 177.073 177.300 0.044 0.000 1.186 467 P CA 0.037 63.174 63.100 0.062 0.000 0.767 467 P CB 0.470 32.120 31.700 -0.084 0.000 0.820 468 R N 1.953 122.499 120.500 0.077 0.000 2.265 468 R HA 0.245 4.374 4.340 -0.351 0.000 0.314 468 R C -0.643 175.675 176.300 0.030 0.000 1.053 468 R CA -0.029 56.099 56.100 0.048 0.000 0.931 468 R CB 0.187 30.521 30.300 0.056 0.000 1.024 468 R HN 0.384 nan 8.270 nan 0.000 0.457 469 T N 7.779 122.340 114.554 0.012 0.000 3.016 469 T HA 0.244 4.384 4.350 -0.351 0.000 0.335 469 T C -2.333 172.369 174.700 0.003 0.000 1.176 469 T CA -1.311 60.789 62.100 0.000 0.000 0.987 469 T CB 1.102 69.966 68.868 -0.008 0.000 1.073 469 T HN 0.503 nan 8.240 nan 0.000 0.547 470 P HA 0.094 nan 4.420 nan 0.000 0.262 470 P C -2.043 175.260 177.300 0.005 0.000 1.182 470 P CA -1.044 62.057 63.100 0.002 0.000 0.761 470 P CB 0.141 31.824 31.700 -0.029 0.000 0.795 471 P HA 0.092 nan 4.420 nan 0.000 0.238 471 P C -0.335 176.984 177.300 0.032 0.000 1.714 471 P CA 0.322 63.437 63.100 0.024 0.000 0.908 471 P CB -0.185 31.531 31.700 0.028 0.000 1.893 472 I N 0.281 120.866 120.570 0.024 0.000 2.428 472 I HA 0.144 4.104 4.170 -0.351 0.000 0.289 472 I C 0.883 177.022 176.117 0.037 0.000 1.019 472 I CA -0.650 60.672 61.300 0.037 0.000 1.351 472 I CB 0.514 38.519 38.000 0.008 0.000 1.412 472 I HN -0.073 nan 8.210 nan 0.000 0.513 473 D N 4.990 125.421 120.400 0.051 0.000 2.451 473 D HA 0.195 4.624 4.640 -0.351 0.000 0.254 473 D C 0.906 177.242 176.300 0.060 0.000 1.204 473 D CA 1.396 55.426 54.000 0.050 0.000 0.896 473 D CB 0.299 41.130 40.800 0.051 0.000 1.136 473 D HN 0.811 nan 8.370 nan 0.000 0.499 474 G N 3.767 112.604 108.800 0.062 0.000 2.171 474 G HA2 -0.293 3.457 3.960 -0.351 0.000 0.238 474 G HA3 -0.293 3.457 3.960 -0.351 0.000 0.238 474 G C 0.877 175.829 174.900 0.086 0.000 1.039 474 G CA 0.120 45.275 45.100 0.092 0.000 0.759 474 G HN 0.580 nan 8.290 nan 0.000 0.501 475 I N -0.128 120.471 120.570 0.048 0.000 3.176 475 I HA 0.166 4.126 4.170 -0.351 0.000 0.275 475 I C 1.517 177.655 176.117 0.035 0.000 1.298 475 I CA 1.294 62.610 61.300 0.027 0.000 1.445 475 I CB 0.132 38.135 38.000 0.006 0.000 1.075 475 I HN 0.198 nan 8.210 nan 0.000 0.482 476 D N -1.464 118.964 120.400 0.048 0.000 2.369 476 D HA -0.001 4.429 4.640 -0.351 0.000 0.211 476 D C 0.631 176.960 176.300 0.048 0.000 1.077 476 D CA 0.074 54.092 54.000 0.031 0.000 0.842 476 D CB -0.061 40.744 40.800 0.008 0.000 0.947 476 D HN 0.234 nan 8.370 nan 0.000 0.509 477 H N 0.882 119.949 119.070 -0.006 0.000 3.038 477 H HA -0.028 4.317 4.556 -0.351 0.000 0.338 477 H C -1.553 173.770 175.328 -0.008 0.000 1.041 477 H CA -0.735 55.311 56.048 -0.003 0.000 1.394 477 H CB 1.264 31.028 29.762 0.003 0.000 1.357 477 H HN -0.081 nan 8.280 nan 0.000 0.600 478 P HA -0.170 nan 4.420 nan 0.000 0.217 478 P C 1.101 178.499 177.300 0.163 0.000 1.148 478 P CA 2.008 65.146 63.100 0.063 0.000 0.834 478 P CB 0.217 31.894 31.700 -0.038 0.000 0.783 479 K N -0.983 119.615 120.400 0.330 0.000 2.211 479 K HA -0.015 4.094 4.320 -0.351 0.000 0.203 479 K C 0.371 177.002 176.600 0.052 0.000 1.050 479 K CA 0.509 56.868 56.287 0.121 0.000 0.945 479 K CB -0.351 32.147 32.500 -0.002 0.000 0.732 479 K HN 0.047 nan 8.250 nan 0.000 0.451 480 V N 2.867 122.820 119.914 0.066 0.000 2.470 480 V HA 0.051 3.961 4.120 -0.351 0.000 0.276 480 V C -0.333 175.765 176.094 0.008 0.000 1.040 480 V CA -0.053 62.259 62.300 0.020 0.000 1.008 480 V CB 0.582 32.418 31.823 0.021 0.000 0.990 480 V HN 0.070 nan 8.190 nan 0.000 0.477 481 L N 5.037 126.256 121.223 -0.006 0.000 2.410 481 L HA 0.526 4.655 4.340 -0.351 0.000 0.270 481 L C 0.362 177.216 176.870 -0.025 0.000 0.983 481 L CA 0.159 54.990 54.840 -0.015 0.000 0.822 481 L CB 2.280 44.336 42.059 -0.005 0.000 1.285 481 L HN 0.795 nan 8.230 nan 0.000 0.409 482 S N 1.804 117.469 115.700 -0.060 0.000 2.624 482 S HA 0.154 4.414 4.470 -0.351 0.000 0.263 482 S C 1.201 175.751 174.600 -0.084 0.000 1.287 482 S CA 0.122 58.264 58.200 -0.097 0.000 0.990 482 S CB 0.248 63.322 63.200 -0.210 0.000 0.950 482 S HN 0.603 nan 8.310 nan 0.000 0.561 483 Y N -0.162 120.112 120.300 -0.044 0.000 2.352 483 Y HA 0.140 4.480 4.550 -0.351 0.000 0.292 483 Y C 1.681 177.533 175.900 -0.079 0.000 1.136 483 Y CA 0.569 58.632 58.100 -0.062 0.000 1.227 483 Y CB -0.674 37.752 38.460 -0.056 0.000 0.991 483 Y HN 0.458 nan 8.280 nan 0.000 0.545 484 L N 0.600 121.514 121.223 -0.516 0.000 2.056 484 L HA -0.157 3.972 4.340 -0.351 0.000 0.207 484 L C 2.010 178.783 176.870 -0.161 0.000 1.078 484 L CA 1.358 56.003 54.840 -0.324 0.000 0.749 484 L CB -0.522 41.294 42.059 -0.406 0.000 0.901 484 L HN 0.245 nan 8.230 nan 0.000 0.433 485 D N -0.267 120.045 120.400 -0.146 0.000 2.144 485 D HA -0.149 4.280 4.640 -0.351 0.000 0.199 485 D C 2.256 178.526 176.300 -0.050 0.000 0.984 485 D CA 1.221 55.173 54.000 -0.080 0.000 0.834 485 D CB -0.030 40.732 40.800 -0.064 0.000 0.955 485 D HN 0.173 nan 8.370 nan 0.000 0.465 486 V N 0.966 120.851 119.914 -0.048 0.000 2.302 486 V HA -0.127 3.782 4.120 -0.351 0.000 0.243 486 V C 2.613 178.637 176.094 -0.117 0.000 1.036 486 V CA 0.948 63.229 62.300 -0.033 0.000 1.020 486 V CB -0.341 31.478 31.823 -0.007 0.000 0.657 486 V HN 0.124 nan 8.190 nan 0.000 0.453 487 L N -0.516 120.593 121.223 -0.191 0.000 2.095 487 L HA -0.019 4.111 4.340 -0.351 0.000 0.204 487 L C 2.684 179.447 176.870 -0.178 0.000 1.080 487 L CA 1.526 56.162 54.840 -0.340 0.000 0.759 487 L CB -0.502 41.396 42.059 -0.268 0.000 0.914 487 L HN 0.223 nan 8.230 nan 0.000 0.439 488 R N 0.088 120.527 120.500 -0.102 0.000 2.075 488 R HA -0.061 4.069 4.340 -0.351 0.000 0.220 488 R C 0.780 177.056 176.300 -0.041 0.000 1.118 488 R CA 1.114 57.172 56.100 -0.070 0.000 0.986 488 R CB 0.233 30.489 30.300 -0.074 0.000 0.884 488 R HN 0.248 nan 8.270 nan 0.000 0.439 489 D N 1.389 121.765 120.400 -0.039 0.000 2.358 489 D HA 0.023 4.452 4.640 -0.351 0.000 0.224 489 D C -0.173 176.129 176.300 0.004 0.000 1.123 489 D CA 0.045 54.036 54.000 -0.015 0.000 0.833 489 D CB 0.540 41.327 40.800 -0.022 0.000 0.946 489 D HN 0.056 nan 8.370 nan 0.000 0.505 490 K N 0.222 120.631 120.400 0.015 0.000 2.938 490 K HA -0.213 3.896 4.320 -0.351 0.000 0.250 490 K C 0.275 176.905 176.600 0.050 0.000 0.939 490 K CA 0.465 56.786 56.287 0.057 0.000 0.694 490 K CB -2.475 30.069 32.500 0.074 0.000 1.267 490 K HN 0.323 nan 8.250 nan 0.000 0.483 491 A N 1.149 123.986 122.820 0.028 0.000 2.565 491 A HA 0.215 4.325 4.320 -0.351 0.000 0.237 491 A C -1.686 175.921 177.584 0.039 0.000 1.053 491 A CA -0.572 51.480 52.037 0.024 0.000 0.755 491 A CB -0.169 18.835 19.000 0.008 0.000 0.980 491 A HN 0.049 nan 8.150 nan 0.000 0.506 492 P HA 0.263 nan 4.420 nan 0.000 0.265 492 P C -0.928 176.392 177.300 0.033 0.000 1.193 492 P CA 0.148 63.267 63.100 0.033 0.000 0.765 492 P CB 0.655 32.369 31.700 0.022 0.000 0.823 493 V N 3.671 123.608 119.914 0.038 0.000 2.483 493 V HA 0.484 4.394 4.120 -0.351 0.000 0.297 493 V C 0.961 177.068 176.094 0.023 0.000 1.027 493 V CA -0.568 61.753 62.300 0.034 0.000 0.855 493 V CB 1.521 33.375 31.823 0.052 0.000 0.995 493 V HN 0.752 nan 8.190 nan 0.000 0.424 494 G N 2.648 111.457 108.800 0.015 0.000 2.593 494 G HA2 -0.025 3.724 3.960 -0.351 0.000 0.279 494 G HA3 -0.025 3.724 3.960 -0.351 0.000 0.279 494 G C 0.837 175.739 174.900 0.003 0.000 1.329 494 G CA 0.459 45.564 45.100 0.008 0.000 1.036 494 G HN 0.748 nan 8.290 nan 0.000 0.555 495 N N -0.926 117.773 118.700 -0.002 0.000 2.135 495 N HA -0.045 4.484 4.740 -0.351 0.000 0.186 495 N C 0.688 176.192 175.510 -0.009 0.000 1.027 495 N CA 1.005 54.051 53.050 -0.006 0.000 0.849 495 N CB -0.003 38.479 38.487 -0.008 0.000 1.002 495 N HN 0.394 nan 8.380 nan 0.000 0.425 496 K N 0.415 120.809 120.400 -0.010 0.000 2.234 496 K HA 0.379 4.488 4.320 -0.351 0.000 0.277 496 K C -1.218 175.373 176.600 -0.016 0.000 1.038 496 K CA -0.509 55.769 56.287 -0.015 0.000 0.888 496 K CB 2.261 34.750 32.500 -0.019 0.000 1.091 496 K HN -0.132 nan 8.250 nan 0.000 0.467 497 V N 1.337 121.241 119.914 -0.016 0.000 2.789 497 V HA 0.634 4.544 4.120 -0.351 0.000 0.311 497 V C -0.779 175.302 176.094 -0.022 0.000 1.073 497 V CA -1.128 61.162 62.300 -0.016 0.000 0.921 497 V CB 1.890 33.709 31.823 -0.006 0.000 1.009 497 V HN 0.859 nan 8.190 nan 0.000 0.426 498 A N 4.534 127.338 122.820 -0.026 0.000 2.343 498 A HA 0.901 5.011 4.320 -0.351 0.000 0.316 498 A C -0.893 176.674 177.584 -0.028 0.000 1.104 498 A CA -0.488 51.535 52.037 -0.024 0.000 0.768 498 A CB 0.815 19.799 19.000 -0.027 0.000 1.213 498 A HN 0.767 nan 8.150 nan 0.000 0.456 499 I N 3.334 123.889 120.570 -0.026 0.000 2.362 499 I HA 0.309 4.268 4.170 -0.351 0.000 0.289 499 I C -0.629 175.475 176.117 -0.022 0.000 0.994 499 I CA -0.267 61.014 61.300 -0.032 0.000 1.158 499 I CB 1.496 39.467 38.000 -0.049 0.000 1.315 499 I HN 0.521 nan 8.210 nan 0.000 0.451 500 I N 6.041 126.580 120.570 -0.052 0.000 2.297 500 I HA 0.473 4.432 4.170 -0.351 0.000 0.291 500 I C 0.485 176.594 176.117 -0.014 0.000 1.033 500 I CA -0.076 61.176 61.300 -0.081 0.000 1.253 500 I CB 1.057 38.868 38.000 -0.316 0.000 1.396 500 I HN 0.841 nan 8.210 nan 0.000 0.476 501 G N 4.672 113.509 108.800 0.061 0.000 3.373 501 G HA2 -0.101 3.649 3.960 -0.351 0.000 0.685 501 G HA3 -0.101 3.649 3.960 -0.351 0.000 0.685 501 G C -0.562 174.375 174.900 0.062 0.000 1.166 501 G CA -1.017 44.126 45.100 0.072 0.000 1.063 501 G HN 0.663 nan 8.290 nan 0.000 0.481 502 C N 1.185 120.548 119.300 0.106 0.000 2.062 502 C HA 1.061 5.310 4.460 -0.351 0.000 0.333 502 C C 1.808 176.949 174.990 0.250 0.000 2.881 502 C CA 0.947 60.063 59.018 0.163 0.000 1.825 502 C CB 0.479 28.354 27.740 0.225 0.000 2.184 502 C HN 2.741 nan 8.230 nan 0.000 0.359 503 G N -0.645 108.405 108.800 0.416 0.000 2.829 503 G HA2 0.272 4.021 3.960 -0.351 0.000 0.628 503 G HA3 0.272 4.021 3.960 -0.351 0.000 0.628 503 G C 0.644 175.691 174.900 0.245 0.000 1.412 503 G CA -0.206 45.034 45.100 0.233 0.000 0.864 503 G HN 1.697 nan 8.290 nan 0.000 0.544 504 G N -0.242 108.624 108.800 0.110 0.000 2.864 504 G HA2 -0.351 3.398 3.960 -0.351 0.000 0.250 504 G HA3 -0.351 3.398 3.960 -0.351 0.000 0.250 504 G C 1.867 176.812 174.900 0.075 0.000 1.154 504 G CA 2.279 47.429 45.100 0.083 0.000 0.755 504 G HN 1.328 nan 8.290 nan 0.000 0.697 505 I N 1.376 121.921 120.570 -0.042 0.000 2.226 505 I HA -0.117 3.843 4.170 -0.351 0.000 0.245 505 I C 3.128 179.197 176.117 -0.081 0.000 1.100 505 I CA 1.135 62.337 61.300 -0.163 0.000 1.374 505 I CB -0.640 37.078 38.000 -0.470 0.000 1.057 505 I HN 0.354 nan 8.210 nan 0.000 0.413 506 G N 0.402 109.196 108.800 -0.011 0.000 2.442 506 G HA2 -0.258 3.492 3.960 -0.351 0.000 0.219 506 G HA3 -0.258 3.492 3.960 -0.351 0.000 0.219 506 G C 1.520 176.406 174.900 -0.024 0.000 1.141 506 G CA 0.571 45.666 45.100 -0.010 0.000 0.763 506 G HN 0.239 nan 8.290 nan 0.000 0.554 507 F N 1.050 120.994 119.950 -0.009 0.000 2.206 507 F HA 0.073 4.390 4.527 -0.350 0.000 0.298 507 F C 2.360 178.140 175.800 -0.033 0.000 1.090 507 F CA 1.220 59.223 58.000 0.004 0.000 1.323 507 F CB 0.092 39.118 39.000 0.045 0.000 1.028 507 F HN 0.050 nan 8.300 nan 0.000 0.492 508 D N -0.812 119.657 120.400 0.114 0.000 2.149 508 D HA -0.107 4.322 4.640 -0.351 0.000 0.201 508 D C 2.273 178.597 176.300 0.041 0.000 0.972 508 D CA 1.475 55.498 54.000 0.037 0.000 0.835 508 D CB -0.555 40.252 40.800 0.010 0.000 0.966 508 D HN 0.150 nan 8.370 nan 0.000 0.476 509 T N 0.422 114.982 114.554 0.011 0.000 2.746 509 T HA -0.094 4.045 4.350 -0.351 0.000 0.267 509 T C 1.972 176.714 174.700 0.069 0.000 1.039 509 T CA 1.394 63.508 62.100 0.023 0.000 1.142 509 T CB -0.199 68.668 68.868 -0.000 0.000 0.866 509 T HN 0.172 nan 8.240 nan 0.000 0.444 510 A N 1.121 123.944 122.820 0.005 0.000 1.969 510 A HA -0.014 4.095 4.320 -0.351 0.000 0.218 510 A C 2.211 179.809 177.584 0.022 0.000 1.169 510 A CA 1.592 53.617 52.037 -0.020 0.000 0.635 510 A CB -0.604 18.316 19.000 -0.133 0.000 0.810 510 A HN 0.407 nan 8.150 nan 0.000 0.445 511 M N -1.600 118.026 119.600 0.043 0.000 2.086 511 M HA -0.125 4.144 4.480 -0.351 0.000 0.261 511 M C 1.947 178.297 176.300 0.083 0.000 1.067 511 M CA 1.894 57.222 55.300 0.047 0.000 1.116 511 M CB -0.827 31.782 32.600 0.016 0.000 1.348 511 M HN 0.502 nan 8.290 nan 0.000 0.407 512 Y N 0.176 120.470 120.300 -0.011 0.000 2.114 512 Y HA -0.188 4.151 4.550 -0.351 0.000 0.284 512 Y C 1.783 177.683 175.900 -0.001 0.000 1.143 512 Y CA 2.154 60.255 58.100 0.002 0.000 1.135 512 Y CB -0.327 38.140 38.460 0.011 0.000 0.980 512 Y HN 0.245 nan 8.280 nan 0.000 0.499 513 L N -0.161 121.183 121.223 0.201 0.000 2.362 513 L HA -0.118 4.012 4.340 -0.351 0.000 0.219 513 L C 2.085 178.953 176.870 -0.003 0.000 1.134 513 L CA 1.334 56.229 54.840 0.091 0.000 0.807 513 L CB -0.557 41.570 42.059 0.113 0.000 0.927 513 L HN 0.364 nan 8.230 nan 0.000 0.447 514 S N -2.476 113.218 115.700 -0.010 0.000 2.540 514 S HA 0.026 4.286 4.470 -0.351 0.000 0.218 514 S C 0.826 175.396 174.600 -0.050 0.000 0.977 514 S CA -0.478 57.705 58.200 -0.029 0.000 0.918 514 S CB -0.002 63.186 63.200 -0.020 0.000 0.806 514 S HN 0.184 nan 8.310 nan 0.000 0.496 515 Q N 3.222 122.976 119.800 -0.077 0.000 2.256 515 Q HA 0.240 4.370 4.340 -0.351 0.000 0.281 515 Q C -1.922 174.027 176.000 -0.085 0.000 1.162 515 Q CA -1.652 54.098 55.803 -0.088 0.000 0.943 515 Q CB 0.691 29.345 28.738 -0.140 0.000 1.195 515 Q HN 0.191 nan 8.270 nan 0.000 0.403 516 P HA 0.002 nan 4.420 nan 0.000 0.225 516 P C -0.014 177.250 177.300 -0.059 0.000 1.148 516 P CA 1.168 64.232 63.100 -0.060 0.000 0.779 516 P CB 0.355 32.019 31.700 -0.059 0.000 0.780 517 G N -1.610 107.152 108.800 -0.062 0.000 2.591 517 G HA2 -0.018 3.732 3.960 -0.351 0.000 0.104 517 G HA3 -0.018 3.732 3.960 -0.351 0.000 0.104 517 G C -1.443 173.428 174.900 -0.049 0.000 1.097 517 G CA -0.700 44.366 45.100 -0.056 0.000 1.076 517 G HN 0.034 nan 8.290 nan 0.000 0.485 518 E N 0.816 120.995 120.200 -0.034 0.000 2.373 518 E HA 0.430 4.570 4.350 -0.351 0.000 0.267 518 E C 0.096 176.692 176.600 -0.007 0.000 1.032 518 E CA 0.186 56.573 56.400 -0.022 0.000 0.889 518 E CB 1.395 31.084 29.700 -0.017 0.000 0.984 518 E HN 0.397 nan 8.360 nan 0.000 0.425 519 S N 1.113 116.818 115.700 0.007 0.000 2.549 519 S HA 0.007 4.266 4.470 -0.351 0.000 0.279 519 S C 1.155 175.791 174.600 0.061 0.000 1.321 519 S CA -0.340 57.882 58.200 0.036 0.000 1.054 519 S CB 0.637 63.865 63.200 0.046 0.000 0.899 519 S HN 0.634 nan 8.310 nan 0.000 0.497 520 T N 1.054 115.674 114.554 0.109 0.000 3.160 520 T HA -0.024 4.115 4.350 -0.351 0.000 0.257 520 T C 1.580 176.403 174.700 0.205 0.000 1.147 520 T CA 0.665 62.870 62.100 0.175 0.000 1.064 520 T CB -0.522 68.496 68.868 0.250 0.000 0.949 520 T HN 0.637 nan 8.240 nan 0.000 0.526 521 S N 0.831 116.613 115.700 0.136 0.000 2.603 521 S HA 0.048 4.307 4.470 -0.351 0.000 0.229 521 S C 1.320 175.915 174.600 -0.008 0.000 0.972 521 S CA -0.117 58.118 58.200 0.059 0.000 0.935 521 S CB -0.336 62.896 63.200 0.053 0.000 0.769 521 S HN 0.696 nan 8.310 nan 0.000 0.536 522 Q N 0.508 120.314 119.800 0.010 0.000 2.055 522 Q HA 0.329 4.459 4.340 -0.351 0.000 0.226 522 Q C -0.885 175.110 176.000 -0.007 0.000 0.805 522 Q CA -0.209 55.584 55.803 -0.017 0.000 1.072 522 Q CB 0.552 29.279 28.738 -0.019 0.000 1.219 522 Q HN 0.367 nan 8.270 nan 0.000 0.451 523 N N 1.157 119.868 118.700 0.020 0.000 2.607 523 N HA 0.250 4.779 4.740 -0.351 0.000 0.271 523 N C 0.373 175.917 175.510 0.057 0.000 1.142 523 N CA 0.007 53.072 53.050 0.026 0.000 0.810 523 N CB 0.834 39.341 38.487 0.032 0.000 1.306 523 N HN 0.117 nan 8.380 nan 0.000 0.536 524 I N 1.500 122.077 120.570 0.012 0.000 2.118 524 I HA -0.311 3.648 4.170 -0.351 0.000 0.241 524 I C 2.278 178.423 176.117 0.047 0.000 1.070 524 I CA 1.734 63.046 61.300 0.020 0.000 1.327 524 I CB -0.113 37.877 38.000 -0.015 0.000 1.034 524 I HN 0.512 nan 8.210 nan 0.000 0.405 525 A N 0.851 123.652 122.820 -0.031 0.000 1.933 525 A HA -0.104 4.006 4.320 -0.351 0.000 0.218 525 A C 2.435 180.013 177.584 -0.010 0.000 1.175 525 A CA 1.867 53.858 52.037 -0.077 0.000 0.628 525 A CB -1.381 17.558 19.000 -0.101 0.000 0.814 525 A HN 0.487 nan 8.150 nan 0.000 0.444 526 G N -1.203 107.615 108.800 0.030 0.000 2.402 526 G HA2 -0.208 3.541 3.960 -0.351 0.000 0.216 526 G HA3 -0.208 3.541 3.960 -0.351 0.000 0.216 526 G C 1.468 176.424 174.900 0.094 0.000 1.162 526 G CA 1.101 46.224 45.100 0.038 0.000 0.777 526 G HN 0.513 nan 8.290 nan 0.000 0.539 527 F N 1.289 121.268 119.950 0.049 0.000 2.095 527 F HA -0.156 4.161 4.527 -0.351 0.000 0.298 527 F C 2.652 178.594 175.800 0.236 0.000 1.104 527 F CA 1.605 59.706 58.000 0.167 0.000 1.232 527 F CB -0.478 38.596 39.000 0.123 0.000 0.987 527 F HN 0.192 nan 8.300 nan 0.000 0.475 528 C N 0.382 119.813 119.300 0.218 0.000 2.425 528 C HA -0.153 4.097 4.460 -0.351 0.000 0.277 528 C C 2.592 177.595 174.990 0.021 0.000 1.280 528 C CA 1.512 60.611 59.018 0.135 0.000 1.744 528 C CB -1.745 26.051 27.740 0.094 0.000 1.989 528 C HN 0.681 nan 8.230 nan 0.000 0.491 529 N N 0.923 119.610 118.700 -0.021 0.000 2.135 529 N HA -0.117 4.413 4.740 -0.351 0.000 0.186 529 N C 1.706 177.158 175.510 -0.098 0.000 1.027 529 N CA 1.426 54.444 53.050 -0.054 0.000 0.849 529 N CB -0.261 38.191 38.487 -0.058 0.000 1.002 529 N HN 0.519 nan 8.380 nan 0.000 0.425 530 E N -1.273 118.832 120.200 -0.158 0.000 2.110 530 E HA -0.157 3.982 4.350 -0.351 0.000 0.193 530 E C 0.922 177.246 176.600 -0.459 0.000 0.988 530 E CA 0.923 57.132 56.400 -0.319 0.000 0.804 530 E CB -0.171 29.287 29.700 -0.404 0.000 0.745 530 E HN 0.580 nan 8.360 nan 0.000 0.458 531 W N -0.042 121.103 121.300 -0.258 0.000 3.290 531 W HA 0.199 4.650 4.660 -0.349 0.000 0.287 531 W C 1.020 177.482 176.519 -0.096 0.000 1.288 531 W CA 0.472 57.690 57.345 -0.211 0.000 1.725 531 W CB 0.711 29.939 29.460 -0.386 0.000 1.103 531 W HN 0.086 nan 8.180 nan 0.000 0.670 532 G N 1.412 110.255 108.800 0.072 0.000 2.212 532 G HA2 -0.304 3.446 3.960 -0.351 0.000 0.255 532 G HA3 -0.304 3.446 3.960 -0.351 0.000 0.255 532 G C -0.141 174.823 174.900 0.108 0.000 1.062 532 G CA -0.478 44.664 45.100 0.069 0.000 0.815 532 G HN 0.209 nan 8.290 nan 0.000 0.497 533 I N 0.642 121.295 120.570 0.138 0.000 2.365 533 I HA 0.240 4.200 4.170 -0.351 0.000 0.291 533 I C 0.161 176.359 176.117 0.135 0.000 1.004 533 I CA -0.619 60.800 61.300 0.198 0.000 1.311 533 I CB 1.270 39.479 38.000 0.348 0.000 1.401 533 I HN 0.136 nan 8.210 nan 0.000 0.491 534 D N 4.435 124.921 120.400 0.142 0.000 2.365 534 D HA 0.048 4.478 4.640 -0.351 0.000 0.237 534 D C 1.281 177.646 176.300 0.109 0.000 1.190 534 D CA -0.270 53.782 54.000 0.086 0.000 0.867 534 D CB 1.113 41.959 40.800 0.076 0.000 1.050 534 D HN 0.557 nan 8.370 nan 0.000 0.491 535 S N 2.099 117.767 115.700 -0.053 0.000 2.420 535 S HA -0.251 4.008 4.470 -0.351 0.000 0.237 535 S C 1.762 176.363 174.600 0.002 0.000 1.023 535 S CA 1.303 59.369 58.200 -0.224 0.000 0.991 535 S CB -0.517 62.457 63.200 -0.376 0.000 0.792 535 S HN 0.446 nan 8.310 nan 0.000 0.488 536 S N 1.549 117.253 115.700 0.007 0.000 2.496 536 S HA 0.251 4.510 4.470 -0.351 0.000 0.224 536 S C 1.127 175.723 174.600 -0.006 0.000 0.996 536 S CA 0.450 58.641 58.200 -0.015 0.000 0.927 536 S CB -0.888 62.304 63.200 -0.013 0.000 0.774 536 S HN 0.654 nan 8.310 nan 0.000 0.524 537 L N -0.515 120.765 121.223 0.095 0.000 4.429 537 L HA -0.313 3.816 4.340 -0.351 0.000 0.422 537 L C 1.527 178.476 176.870 0.132 0.000 1.149 537 L CA 1.034 55.954 54.840 0.134 0.000 0.972 537 L CB -2.183 39.954 42.059 0.131 0.000 2.059 537 L HN 0.422 nan 8.230 nan 0.000 0.870 538 Q N -0.591 119.261 119.800 0.087 0.000 2.245 538 Q HA -0.067 4.063 4.340 -0.351 0.000 0.201 538 Q C 0.991 177.023 176.000 0.053 0.000 0.955 538 Q CA 0.745 56.596 55.803 0.080 0.000 0.870 538 Q CB 0.162 28.933 28.738 0.054 0.000 0.945 538 Q HN 0.392 nan 8.270 nan 0.000 0.461 539 Q N 0.190 120.018 119.800 0.047 0.000 2.340 539 Q HA 0.331 4.460 4.340 -0.351 0.000 0.249 539 Q C -1.016 174.994 176.000 0.018 0.000 0.957 539 Q CA -0.111 55.708 55.803 0.026 0.000 0.882 539 Q CB 0.998 29.752 28.738 0.025 0.000 1.235 539 Q HN 0.274 nan 8.270 nan 0.000 0.439 540 A N 2.040 124.857 122.820 -0.006 0.000 2.561 540 A HA 0.403 4.513 4.320 -0.351 0.000 0.251 540 A C 1.121 178.678 177.584 -0.044 0.000 1.062 540 A CA 0.752 52.772 52.037 -0.027 0.000 0.761 540 A CB -1.080 17.897 19.000 -0.040 0.000 0.986 540 A HN 1.201 nan 8.150 nan 0.000 0.510 541 G N 1.678 110.448 108.800 -0.050 0.000 2.155 541 G HA2 0.127 3.876 3.960 -0.351 0.000 0.257 541 G HA3 0.127 3.876 3.960 -0.351 0.000 0.257 541 G C 1.622 176.509 174.900 -0.021 0.000 0.983 541 G CA 0.900 45.948 45.100 -0.086 0.000 0.676 541 G HN 2.799 nan 8.290 nan 0.000 0.528 542 G N -1.212 107.607 108.800 0.032 0.000 2.225 542 G HA2 -0.201 3.549 3.960 -0.351 0.000 0.267 542 G HA3 -0.201 3.549 3.960 -0.351 0.000 0.267 542 G C 0.288 175.243 174.900 0.093 0.000 1.024 542 G CA 0.677 45.831 45.100 0.091 0.000 0.784 542 G HN 1.452 nan 8.290 nan 0.000 0.507 543 L N 1.549 122.801 121.223 0.047 0.000 2.264 543 L HA 0.501 4.631 4.340 -0.351 0.000 0.289 543 L C 1.234 178.128 176.870 0.040 0.000 1.044 543 L CA -0.359 54.509 54.840 0.046 0.000 0.807 543 L CB 1.580 43.647 42.059 0.014 0.000 1.192 543 L HN 0.382 nan 8.230 nan 0.000 0.425 544 S N 3.382 119.110 115.700 0.046 0.000 2.560 544 S HA 0.168 4.428 4.470 -0.351 0.000 0.284 544 S C -1.215 173.394 174.600 0.014 0.000 1.327 544 S CA -0.973 57.243 58.200 0.026 0.000 1.055 544 S CB 0.757 63.968 63.200 0.019 0.000 0.868 544 S HN 0.555 nan 8.310 nan 0.000 0.506 545 P HA -0.219 nan 4.420 nan 0.000 0.216 545 P C 1.095 178.394 177.300 -0.002 0.000 1.150 545 P CA 1.448 64.549 63.100 0.001 0.000 0.837 545 P CB -0.136 31.563 31.700 -0.001 0.000 0.786 546 Q N -0.384 119.413 119.800 -0.005 0.000 2.482 546 Q HA 0.256 4.386 4.340 -0.351 0.000 0.209 546 Q C 1.122 177.116 176.000 -0.011 0.000 0.961 546 Q CA 0.372 56.168 55.803 -0.011 0.000 0.945 546 Q CB -0.753 27.975 28.738 -0.017 0.000 1.012 546 Q HN 0.157 nan 8.270 nan 0.000 0.515 547 G N 1.655 110.454 108.800 -0.001 0.000 2.633 547 G HA2 -0.339 3.410 3.960 -0.351 0.000 0.263 547 G HA3 -0.339 3.410 3.960 -0.351 0.000 0.263 547 G C -0.183 174.712 174.900 -0.010 0.000 1.310 547 G CA -0.005 45.098 45.100 0.005 0.000 0.914 547 G HN 0.372 nan 8.290 nan 0.000 0.569 548 M N 0.490 120.081 119.600 -0.015 0.000 2.252 548 M HA 0.168 4.437 4.480 -0.351 0.000 0.321 548 M C 0.625 176.861 176.300 -0.108 0.000 1.070 548 M CA 0.929 56.184 55.300 -0.075 0.000 1.143 548 M CB 0.346 32.884 32.600 -0.104 0.000 1.498 548 M HN 0.481 nan 8.290 nan 0.000 0.445 549 Q N 2.891 122.594 119.800 -0.163 0.000 2.563 549 Q HA 0.341 4.470 4.340 -0.351 0.000 0.367 549 Q C -1.207 174.678 176.000 -0.191 0.000 0.845 549 Q CA -0.253 55.464 55.803 -0.143 0.000 1.077 549 Q CB -0.023 28.649 28.738 -0.110 0.000 1.409 549 Q HN 0.557 nan 8.270 nan 0.000 0.396 550 I N 2.294 122.723 120.570 -0.237 0.000 2.533 550 I HA 0.127 4.087 4.170 -0.351 0.000 0.284 550 I C -1.844 174.180 176.117 -0.155 0.000 1.109 550 I CA -1.351 59.798 61.300 -0.252 0.000 1.412 550 I CB -0.073 37.748 38.000 -0.299 0.000 1.396 550 I HN 0.018 nan 8.210 nan 0.000 0.543 551 P HA 0.158 nan 4.420 nan 0.000 0.271 551 P C -0.360 176.894 177.300 -0.077 0.000 1.233 551 P CA -0.451 62.594 63.100 -0.091 0.000 0.789 551 P CB 0.483 32.135 31.700 -0.080 0.000 0.951 552 R N 0.619 121.082 120.500 -0.060 0.000 2.539 552 R HA 0.236 4.366 4.340 -0.351 0.000 0.275 552 R C 0.450 176.723 176.300 -0.046 0.000 1.077 552 R CA -0.190 55.881 56.100 -0.049 0.000 1.097 552 R CB 0.449 30.724 30.300 -0.040 0.000 1.018 552 R HN 0.438 nan 8.270 nan 0.000 0.483 553 S N 2.400 118.076 115.700 -0.041 0.000 2.531 553 S HA 0.134 4.393 4.470 -0.351 0.000 0.279 553 S C -1.466 173.113 174.600 -0.035 0.000 1.305 553 S CA -1.291 56.886 58.200 -0.038 0.000 1.058 553 S CB 0.673 63.854 63.200 -0.032 0.000 0.899 553 S HN 0.290 nan 8.310 nan 0.000 0.493 554 P HA 0.006 nan 4.420 nan 0.000 0.225 554 P C -0.200 177.084 177.300 -0.026 0.000 1.148 554 P CA 1.008 64.088 63.100 -0.033 0.000 0.779 554 P CB 0.197 31.873 31.700 -0.040 0.000 0.780 555 R N -0.883 119.602 120.500 -0.025 0.000 2.854 555 R HA 0.391 4.521 4.340 -0.351 0.000 0.271 555 R C -0.319 175.970 176.300 -0.019 0.000 0.994 555 R CA -0.898 55.191 56.100 -0.019 0.000 0.945 555 R CB 1.068 31.360 30.300 -0.013 0.000 1.194 555 R HN -0.145 nan 8.270 nan 0.000 0.476 556 Q N 2.146 121.936 119.800 -0.017 0.000 2.349 556 Q HA 0.389 4.518 4.340 -0.351 0.000 0.254 556 Q C -0.373 175.616 176.000 -0.018 0.000 0.980 556 Q CA 0.160 55.953 55.803 -0.017 0.000 0.924 556 Q CB 0.946 29.674 28.738 -0.016 0.000 1.209 556 Q HN 0.473 nan 8.270 nan 0.000 0.445 557 I N 1.561 122.118 120.570 -0.022 0.000 2.465 557 I HA 0.456 4.415 4.170 -0.351 0.000 0.291 557 I C -0.473 175.625 176.117 -0.031 0.000 1.014 557 I CA -1.224 60.060 61.300 -0.027 0.000 1.093 557 I CB 2.258 40.239 38.000 -0.031 0.000 1.267 557 I HN 0.180 nan 8.210 nan 0.000 0.431 558 V N 7.433 127.329 119.914 -0.030 0.000 2.487 558 V HA 0.533 4.442 4.120 -0.351 0.000 0.298 558 V C -0.392 175.681 176.094 -0.034 0.000 1.028 558 V CA -0.404 61.880 62.300 -0.027 0.000 0.860 558 V CB 1.864 33.681 31.823 -0.011 0.000 0.991 558 V HN 0.676 nan 8.190 nan 0.000 0.427 559 M N 7.444 127.012 119.600 -0.054 0.000 2.264 559 M HA 0.623 4.893 4.480 -0.351 0.000 0.352 559 M C -1.188 175.109 176.300 -0.005 0.000 1.173 559 M CA -0.327 54.931 55.300 -0.070 0.000 1.075 559 M CB 1.608 34.096 32.600 -0.187 0.000 1.621 559 M HN 0.450 nan 8.290 nan 0.000 0.457 560 L N 2.701 123.952 121.223 0.046 0.000 2.388 560 L HA 0.670 4.799 4.340 -0.351 0.000 0.264 560 L C -0.764 176.207 176.870 0.168 0.000 0.998 560 L CA -0.762 54.149 54.840 0.119 0.000 0.817 560 L CB 2.155 44.349 42.059 0.225 0.000 1.338 560 L HN 0.709 nan 8.230 nan 0.000 0.414 561 Q N 0.186 120.067 119.800 0.136 0.000 2.435 561 Q HA 0.559 4.688 4.340 -0.351 0.000 0.282 561 Q C -0.636 175.387 176.000 0.039 0.000 1.020 561 Q CA -1.021 54.864 55.803 0.136 0.000 0.820 561 Q CB 2.382 31.189 28.738 0.115 0.000 1.436 561 Q HN 0.440 nan 8.270 nan 0.000 0.395 562 R N 0.639 121.157 120.500 0.030 0.000 2.100 562 R HA 0.032 4.162 4.340 -0.351 0.000 0.220 562 R C 0.287 176.579 176.300 -0.013 0.000 1.091 562 R CA 1.113 57.184 56.100 -0.049 0.000 0.986 562 R CB -0.136 30.146 30.300 -0.031 0.000 0.888 562 R HN 0.667 nan 8.270 nan 0.000 0.444 563 K N 0.581 120.994 120.400 0.023 0.000 2.414 563 K HA 0.147 4.257 4.320 -0.351 0.000 0.272 563 K C 0.473 177.086 176.600 0.022 0.000 0.993 563 K CA 0.524 56.826 56.287 0.025 0.000 0.964 563 K CB 0.932 33.456 32.500 0.040 0.000 0.925 563 K HN 0.009 nan 8.250 nan 0.000 0.487 564 A N 2.257 125.088 122.820 0.017 0.000 2.178 564 A HA 0.009 4.118 4.320 -0.351 0.000 0.211 564 A C 0.695 178.296 177.584 0.028 0.000 1.157 564 A CA 0.438 52.485 52.037 0.017 0.000 0.780 564 A CB -0.463 18.543 19.000 0.010 0.000 0.828 564 A HN 0.875 nan 8.150 nan 0.000 0.476 565 S N 0.139 115.859 115.700 0.035 0.000 2.584 565 S HA 0.229 4.488 4.470 -0.351 0.000 0.270 565 S C 0.158 174.792 174.600 0.057 0.000 1.346 565 S CA -0.527 57.698 58.200 0.042 0.000 1.018 565 S CB 0.449 63.674 63.200 0.041 0.000 0.899 565 S HN 0.439 nan 8.310 nan 0.000 0.542 566 K N 1.605 122.041 120.400 0.061 0.000 2.491 566 K HA 0.085 4.195 4.320 -0.351 0.000 0.279 566 K C -2.519 174.149 176.600 0.112 0.000 1.026 566 K CA -1.164 55.171 56.287 0.081 0.000 1.070 566 K CB -0.313 32.233 32.500 0.077 0.000 0.887 566 K HN 0.341 nan 8.250 nan 0.000 0.481 567 P HA -0.003 nan 4.420 nan 0.000 0.265 567 P C 0.191 177.671 177.300 0.300 0.000 1.193 567 P CA 0.795 64.040 63.100 0.243 0.000 0.765 567 P CB 0.754 32.600 31.700 0.245 0.000 0.823 568 G N 2.240 111.189 108.800 0.248 0.000 2.176 568 G HA2 -0.339 3.410 3.960 -0.351 0.000 0.253 568 G HA3 -0.339 3.410 3.960 -0.351 0.000 0.253 568 G C 1.108 175.945 174.900 -0.105 0.000 0.979 568 G CA 0.458 45.455 45.100 -0.173 0.000 0.641 568 G HN 0.583 nan 8.290 nan 0.000 0.530 569 Q N 0.237 120.043 119.800 0.011 0.000 2.170 569 Q HA 0.041 4.170 4.340 -0.351 0.000 0.203 569 Q C 2.432 178.432 176.000 -0.000 0.000 0.976 569 Q CA 2.037 57.850 55.803 0.017 0.000 0.858 569 Q CB -0.564 28.199 28.738 0.042 0.000 0.907 569 Q HN 0.709 nan 8.270 nan 0.000 0.433 570 G N 0.363 109.159 108.800 -0.005 0.000 2.920 570 G HA2 0.138 3.887 3.960 -0.351 0.000 0.208 570 G HA3 0.138 3.887 3.960 -0.351 0.000 0.208 570 G C 0.427 175.308 174.900 -0.032 0.000 1.159 570 G CA -0.295 44.803 45.100 -0.004 0.000 0.784 570 G HN 0.147 nan 8.290 nan 0.000 0.535 571 L N -0.014 121.155 121.223 -0.090 0.000 2.470 571 L HA 0.419 4.549 4.340 -0.351 0.000 0.243 571 L C 1.509 178.337 176.870 -0.071 0.000 1.227 571 L CA -0.623 54.145 54.840 -0.120 0.000 0.824 571 L CB 0.042 41.947 42.059 -0.256 0.000 1.175 571 L HN 0.132 nan 8.230 nan 0.000 0.503 572 G N 0.020 108.772 108.800 -0.079 0.000 2.353 572 G HA2 0.012 3.761 3.960 -0.351 0.000 0.239 572 G HA3 0.012 3.761 3.960 -0.351 0.000 0.239 572 G C 0.809 175.679 174.900 -0.049 0.000 1.295 572 G CA -0.519 44.550 45.100 -0.052 0.000 0.884 572 G HN 0.660 nan 8.290 nan 0.000 0.537 573 K N 1.643 122.046 120.400 0.005 0.000 2.113 573 K HA -0.150 3.960 4.320 -0.351 0.000 0.208 573 K C 2.136 178.692 176.600 -0.074 0.000 1.047 573 K CA 1.937 58.230 56.287 0.010 0.000 0.928 573 K CB -1.024 31.560 32.500 0.141 0.000 0.716 573 K HN 0.652 nan 8.250 nan 0.000 0.446 574 T N -2.109 112.389 114.554 -0.094 0.000 3.086 574 T HA 0.098 4.238 4.350 -0.351 0.000 0.250 574 T C 1.372 176.011 174.700 -0.100 0.000 1.074 574 T CA 0.667 62.742 62.100 -0.042 0.000 0.988 574 T CB -0.021 68.798 68.868 -0.081 0.000 0.988 574 T HN 0.362 nan 8.240 nan 0.000 0.530 575 T N -3.834 110.561 114.554 -0.266 0.000 2.966 575 T HA 0.352 4.491 4.350 -0.351 0.000 0.254 575 T C 2.179 176.445 174.700 -0.723 0.000 0.961 575 T CA 0.571 62.328 62.100 -0.572 0.000 0.915 575 T CB -0.525 68.079 68.868 -0.440 0.000 1.186 575 T HN 0.245 nan 8.240 nan 0.000 0.505 576 G N 2.156 110.712 108.800 -0.406 0.000 2.469 576 G HA2 -0.197 3.552 3.960 -0.351 0.000 0.219 576 G HA3 -0.197 3.552 3.960 -0.351 0.000 0.219 576 G C 1.518 176.282 174.900 -0.226 0.000 1.150 576 G CA 1.077 45.981 45.100 -0.328 0.000 0.763 576 G HN 0.748 nan 8.290 nan 0.000 0.561 577 W N 0.975 122.199 121.300 -0.127 0.000 2.374 577 W HA 0.005 4.454 4.660 -0.352 0.000 0.288 577 W C 1.911 178.445 176.519 0.024 0.000 1.218 577 W CA 0.618 57.940 57.345 -0.038 0.000 1.245 577 W CB -0.950 28.487 29.460 -0.039 0.000 1.126 577 W HN 0.254 nan 8.180 nan 0.000 0.545 578 I N 1.151 121.175 120.570 -0.910 0.000 2.113 578 I HA -0.316 3.644 4.170 -0.351 0.000 0.238 578 I C 2.750 178.864 176.117 -0.005 0.000 1.070 578 I CA 2.198 63.079 61.300 -0.699 0.000 1.332 578 I CB -1.057 36.365 38.000 -0.963 0.000 1.044 578 I HN -0.020 nan 8.210 nan 0.000 0.402 579 H N -0.058 118.968 119.070 -0.073 0.000 2.352 579 H HA -0.201 4.144 4.556 -0.351 0.000 0.299 579 H C 2.454 177.910 175.328 0.214 0.000 1.097 579 H CA 1.301 57.406 56.048 0.094 0.000 1.311 579 H CB -0.064 29.742 29.762 0.073 0.000 1.377 579 H HN 0.209 nan 8.280 nan 0.000 0.504 580 R N 0.747 121.436 120.500 0.315 0.000 2.073 580 R HA -0.123 4.007 4.340 -0.351 0.000 0.234 580 R C 2.097 178.572 176.300 0.291 0.000 1.134 580 R CA 2.015 58.331 56.100 0.360 0.000 0.952 580 R CB -0.269 30.192 30.300 0.268 0.000 0.850 580 R HN 0.162 nan 8.270 nan 0.000 0.433 581 T N -0.187 114.547 114.554 0.300 0.000 2.746 581 T HA -0.101 4.038 4.350 -0.351 0.000 0.267 581 T C 1.665 176.488 174.700 0.204 0.000 1.039 581 T CA 1.784 64.059 62.100 0.292 0.000 1.142 581 T CB -0.323 68.817 68.868 0.454 0.000 0.866 581 T HN 0.392 nan 8.240 nan 0.000 0.444 582 T N 2.397 117.090 114.554 0.231 0.000 2.674 582 T HA -0.038 4.102 4.350 -0.351 0.000 0.265 582 T C 1.882 176.622 174.700 0.068 0.000 1.039 582 T CA 0.816 62.980 62.100 0.107 0.000 1.150 582 T CB -0.438 68.545 68.868 0.192 0.000 0.864 582 T HN 0.055 nan 8.240 nan 0.000 0.427 583 L N 0.792 122.091 121.223 0.127 0.000 2.012 583 L HA 0.026 4.155 4.340 -0.351 0.000 0.210 583 L C 2.382 179.283 176.870 0.052 0.000 1.073 583 L CA 1.457 56.346 54.840 0.080 0.000 0.748 583 L CB -1.074 41.048 42.059 0.104 0.000 0.891 583 L HN 0.280 nan 8.230 nan 0.000 0.431 584 L N -1.672 119.601 121.223 0.084 0.000 2.131 584 L HA -0.185 3.944 4.340 -0.351 0.000 0.210 584 L C 2.315 179.201 176.870 0.027 0.000 1.092 584 L CA 0.976 55.852 54.840 0.061 0.000 0.759 584 L CB -0.515 41.599 42.059 0.091 0.000 0.903 584 L HN 0.200 nan 8.230 nan 0.000 0.435 585 S N -0.656 115.050 115.700 0.010 0.000 2.489 585 S HA -0.023 4.236 4.470 -0.351 0.000 0.228 585 S C 1.848 176.418 174.600 -0.049 0.000 0.995 585 S CA 0.648 58.827 58.200 -0.034 0.000 0.934 585 S CB -0.071 63.075 63.200 -0.089 0.000 0.771 585 S HN 0.371 nan 8.310 nan 0.000 0.522 586 R N 0.248 120.725 120.500 -0.038 0.000 2.297 586 R HA 0.156 4.285 4.340 -0.351 0.000 0.197 586 R C 1.477 177.760 176.300 -0.029 0.000 0.943 586 R CA 0.557 56.632 56.100 -0.041 0.000 1.038 586 R CB 0.094 30.373 30.300 -0.036 0.000 0.957 586 R HN 0.448 nan 8.270 nan 0.000 0.484 587 G N 1.038 109.827 108.800 -0.018 0.000 2.175 587 G HA2 -0.272 3.478 3.960 -0.351 0.000 0.244 587 G HA3 -0.272 3.478 3.960 -0.351 0.000 0.244 587 G C 0.262 175.155 174.900 -0.013 0.000 0.982 587 G CA 0.138 45.229 45.100 -0.014 0.000 0.641 587 G HN 0.271 nan 8.290 nan 0.000 0.527 588 V N -1.283 118.623 119.914 -0.014 0.000 2.715 588 V HA 0.702 4.612 4.120 -0.351 0.000 0.299 588 V C 0.330 176.415 176.094 -0.016 0.000 1.054 588 V CA -0.421 61.866 62.300 -0.023 0.000 1.077 588 V CB 1.226 33.026 31.823 -0.039 0.000 0.972 588 V HN 0.312 nan 8.190 nan 0.000 0.484 589 K N 4.811 125.198 120.400 -0.022 0.000 2.156 589 K HA 0.722 4.832 4.320 -0.351 0.000 0.254 589 K C -0.863 175.723 176.600 -0.022 0.000 0.950 589 K CA -0.623 55.658 56.287 -0.010 0.000 0.849 589 K CB 2.017 34.514 32.500 -0.005 0.000 1.100 589 K HN 0.762 nan 8.250 nan 0.000 0.434 590 M N 3.632 123.231 119.600 -0.002 0.000 2.197 590 M HA 0.440 4.709 4.480 -0.351 0.000 0.301 590 M C -1.051 175.265 176.300 0.026 0.000 0.987 590 M CA -0.380 54.920 55.300 0.000 0.000 0.921 590 M CB 1.518 34.133 32.600 0.026 0.000 1.569 590 M HN 0.372 nan 8.290 nan 0.000 0.431 591 I N 5.425 126.010 120.570 0.025 0.000 2.418 591 I HA 0.532 4.491 4.170 -0.351 0.000 0.287 591 I C -2.307 173.828 176.117 0.030 0.000 1.008 591 I CA -1.766 59.550 61.300 0.027 0.000 1.104 591 I CB 2.144 40.154 38.000 0.017 0.000 1.264 591 I HN 0.388 nan 8.210 nan 0.000 0.438 592 P HA 0.262 nan 4.420 nan 0.000 0.283 592 P C 0.331 177.628 177.300 -0.005 0.000 1.278 592 P CA -0.238 62.877 63.100 0.025 0.000 0.834 592 P CB 1.448 33.171 31.700 0.038 0.000 1.150 593 G N -0.675 108.114 108.800 -0.018 0.000 2.295 593 G HA2 -0.153 3.596 3.960 -0.351 0.000 0.287 593 G HA3 -0.153 3.596 3.960 -0.351 0.000 0.287 593 G C -0.143 174.706 174.900 -0.085 0.000 1.055 593 G CA -0.062 45.013 45.100 -0.041 0.000 0.922 593 G HN 0.454 nan 8.290 nan 0.000 0.503 594 V N 0.027 119.854 119.914 -0.144 0.000 2.539 594 V HA 0.713 4.622 4.120 -0.351 0.000 0.292 594 V C 0.603 176.432 176.094 -0.442 0.000 1.045 594 V CA -0.295 61.852 62.300 -0.255 0.000 0.945 594 V CB 1.967 33.629 31.823 -0.269 0.000 0.993 594 V HN 0.392 nan 8.190 nan 0.000 0.464 595 S N 2.785 118.253 115.700 -0.386 0.000 2.478 595 S HA 0.627 4.887 4.470 -0.351 0.000 0.312 595 S C -1.099 173.299 174.600 -0.337 0.000 1.094 595 S CA -0.421 57.565 58.200 -0.357 0.000 1.081 595 S CB 0.861 63.975 63.200 -0.144 0.000 1.007 595 S HN 0.535 nan 8.310 nan 0.000 0.475 596 Y N 2.561 122.876 120.300 0.025 0.000 2.383 596 Y HA 0.252 4.592 4.550 -0.351 0.000 0.344 596 Y C 1.568 177.491 175.900 0.037 0.000 0.986 596 Y CA -0.708 57.410 58.100 0.030 0.000 1.175 596 Y CB 0.660 39.135 38.460 0.025 0.000 1.152 596 Y HN 0.570 nan 8.280 nan 0.000 0.511 597 Q N 3.012 122.922 119.800 0.185 0.000 1.937 597 Q HA 0.030 4.159 4.340 -0.351 0.000 0.198 597 Q C 0.358 176.438 176.000 0.134 0.000 0.977 597 Q CA 1.138 57.019 55.803 0.130 0.000 0.836 597 Q CB 0.091 28.899 28.738 0.117 0.000 0.899 597 Q HN 0.649 nan 8.270 nan 0.000 0.437 598 K N -0.688 119.816 120.400 0.174 0.000 2.615 598 K HA 0.413 4.522 4.320 -0.351 0.000 0.291 598 K C -1.292 175.416 176.600 0.180 0.000 1.017 598 K CA -0.558 55.819 56.287 0.151 0.000 0.882 598 K CB 0.633 33.198 32.500 0.108 0.000 1.522 598 K HN 0.069 nan 8.250 nan 0.000 0.412 599 I N 2.072 122.702 120.570 0.100 0.000 2.382 599 I HA 0.287 4.246 4.170 -0.351 0.000 0.285 599 I C -0.901 175.195 176.117 -0.034 0.000 1.007 599 I CA -0.443 60.851 61.300 -0.010 0.000 1.142 599 I CB 1.412 39.374 38.000 -0.064 0.000 1.289 599 I HN 0.730 nan 8.210 nan 0.000 0.453 600 D N 2.833 123.192 120.400 -0.069 0.000 2.714 600 D HA 0.246 4.675 4.640 -0.351 0.000 0.278 600 D C 0.342 176.547 176.300 -0.159 0.000 1.102 600 D CA -0.622 53.373 54.000 -0.007 0.000 1.108 600 D CB 0.652 41.565 40.800 0.187 0.000 1.444 600 D HN 0.183 nan 8.370 nan 0.000 0.568 601 D N -0.588 119.886 120.400 0.124 0.000 2.271 601 D HA -0.125 4.304 4.640 -0.351 0.000 0.207 601 D C 0.482 176.790 176.300 0.013 0.000 0.983 601 D CA 1.100 55.172 54.000 0.119 0.000 0.878 601 D CB -0.118 40.777 40.800 0.159 0.000 0.920 601 D HN 0.381 nan 8.370 nan 0.000 0.479 602 D N -0.330 120.079 120.400 0.015 0.000 2.355 602 D HA 0.185 4.614 4.640 -0.351 0.000 0.218 602 D C 1.523 177.726 176.300 -0.161 0.000 1.004 602 D CA 0.873 54.858 54.000 -0.024 0.000 0.880 602 D CB 0.619 41.466 40.800 0.079 0.000 0.911 602 D HN 0.311 nan 8.370 nan 0.000 0.528 603 G N 0.020 108.679 108.800 -0.235 0.000 2.317 603 G HA2 -0.108 3.641 3.960 -0.351 0.000 0.196 603 G HA3 -0.108 3.641 3.960 -0.351 0.000 0.196 603 G C -1.600 173.085 174.900 -0.360 0.000 1.255 603 G CA -0.443 44.491 45.100 -0.276 0.000 1.243 603 G HN 0.199 nan 8.290 nan 0.000 0.535 604 L N 2.071 123.107 121.223 -0.312 0.000 2.294 604 L HA 0.677 4.807 4.340 -0.351 0.000 0.283 604 L C -0.227 176.501 176.870 -0.238 0.000 1.015 604 L CA -0.944 53.766 54.840 -0.218 0.000 0.831 604 L CB 0.770 42.775 42.059 -0.090 0.000 1.217 604 L HN 0.623 nan 8.230 nan 0.000 0.420 605 H N 5.354 124.436 119.070 0.020 0.000 2.668 605 H HA 0.573 4.919 4.556 -0.351 0.000 0.303 605 H C -0.084 175.280 175.328 0.059 0.000 1.074 605 H CA -0.053 56.013 56.048 0.030 0.000 1.406 605 H CB 1.255 31.030 29.762 0.021 0.000 1.442 605 H HN 0.588 nan 8.280 nan 0.000 0.482 606 V N 0.785 120.780 119.914 0.136 0.000 3.156 606 V HA 0.682 4.591 4.120 -0.351 0.000 0.310 606 V C -0.466 175.654 176.094 0.042 0.000 1.234 606 V CA -0.962 61.391 62.300 0.089 0.000 1.065 606 V CB 2.133 33.999 31.823 0.072 0.000 1.088 606 V HN 0.344 nan 8.190 nan 0.000 0.451 607 V N 1.652 121.559 119.914 -0.010 0.000 2.483 607 V HA 0.619 4.529 4.120 -0.351 0.000 0.297 607 V C -0.595 175.475 176.094 -0.039 0.000 1.027 607 V CA -0.166 62.124 62.300 -0.018 0.000 0.855 607 V CB 1.288 33.096 31.823 -0.025 0.000 0.995 607 V HN 0.758 nan 8.190 nan 0.000 0.424 608 I N 4.144 124.702 120.570 -0.021 0.000 2.533 608 I HA 0.491 4.450 4.170 -0.351 0.000 0.290 608 I C 0.342 176.450 176.117 -0.014 0.000 1.056 608 I CA -0.649 60.638 61.300 -0.023 0.000 1.057 608 I CB 2.065 40.057 38.000 -0.013 0.000 1.240 608 I HN 0.654 nan 8.210 nan 0.000 0.423 609 N N 4.458 123.149 118.700 -0.015 0.000 2.714 609 N HA -0.209 4.321 4.740 -0.351 0.000 0.250 609 N C 0.913 176.418 175.510 -0.008 0.000 1.117 609 N CA 1.331 54.376 53.050 -0.009 0.000 0.719 609 N CB -0.748 37.737 38.487 -0.003 0.000 1.081 609 N HN 1.218 nan 8.380 nan 0.000 0.557 610 G N -1.062 107.731 108.800 -0.011 0.000 2.157 610 G HA2 -0.283 3.467 3.960 -0.351 0.000 0.248 610 G HA3 -0.283 3.467 3.960 -0.351 0.000 0.248 610 G C -0.395 174.503 174.900 -0.004 0.000 0.979 610 G CA 0.585 45.680 45.100 -0.008 0.000 0.650 610 G HN 0.430 nan 8.290 nan 0.000 0.529 611 E N 0.878 121.077 120.200 -0.002 0.000 2.210 611 E HA 0.499 4.638 4.350 -0.351 0.000 0.266 611 E C 0.035 176.640 176.600 0.009 0.000 0.883 611 E CA -0.458 55.944 56.400 0.004 0.000 0.761 611 E CB 1.394 31.097 29.700 0.005 0.000 1.156 611 E HN 0.117 nan 8.360 nan 0.000 0.412 612 T N 2.700 117.264 114.554 0.016 0.000 2.926 612 T HA 0.186 4.325 4.350 -0.351 0.000 0.307 612 T C 0.083 174.807 174.700 0.040 0.000 1.059 612 T CA 0.083 62.202 62.100 0.031 0.000 1.122 612 T CB 0.487 69.378 68.868 0.037 0.000 0.972 612 T HN 0.252 nan 8.240 nan 0.000 0.545 613 Q N 0.682 120.515 119.800 0.055 0.000 2.377 613 Q HA 0.526 4.656 4.340 -0.351 0.000 0.279 613 Q C -1.621 174.414 176.000 0.059 0.000 1.049 613 Q CA -0.824 55.007 55.803 0.047 0.000 0.825 613 Q CB 2.694 31.446 28.738 0.023 0.000 1.401 613 Q HN 0.384 nan 8.270 nan 0.000 0.404 614 V N 2.968 122.900 119.914 0.030 0.000 2.357 614 V HA 0.367 4.276 4.120 -0.351 0.000 0.284 614 V C -0.401 175.641 176.094 -0.086 0.000 1.018 614 V CA -0.574 61.691 62.300 -0.059 0.000 0.841 614 V CB 1.210 33.021 31.823 -0.020 0.000 0.991 614 V HN 0.593 nan 8.190 nan 0.000 0.437 615 L N 4.693 125.843 121.223 -0.123 0.000 2.302 615 L HA 0.473 4.603 4.340 -0.351 0.000 0.285 615 L C 1.040 177.845 176.870 -0.108 0.000 1.090 615 L CA -0.409 54.381 54.840 -0.085 0.000 0.866 615 L CB 1.036 43.061 42.059 -0.057 0.000 1.244 615 L HN 0.754 nan 8.230 nan 0.000 0.435 616 A N 4.415 127.186 122.820 -0.081 0.000 3.051 616 A HA 0.346 4.455 4.320 -0.351 0.000 0.275 616 A C 0.395 177.944 177.584 -0.059 0.000 1.900 616 A CA -0.293 51.700 52.037 -0.073 0.000 1.496 616 A CB -0.807 18.166 19.000 -0.045 0.000 1.013 616 A HN 0.505 nan 8.150 nan 0.000 0.611 617 V N -1.270 118.600 119.914 -0.073 0.000 2.834 617 V HA 0.438 4.347 4.120 -0.351 0.000 0.313 617 V C 0.419 176.484 176.094 -0.048 0.000 1.060 617 V CA -0.686 61.582 62.300 -0.054 0.000 0.989 617 V CB 1.492 33.282 31.823 -0.056 0.000 1.041 617 V HN 0.513 nan 8.190 nan 0.000 0.459 618 D N 1.194 121.576 120.400 -0.029 0.000 2.333 618 D HA 0.125 4.554 4.640 -0.351 0.000 0.208 618 D C 0.089 176.382 176.300 -0.011 0.000 0.984 618 D CA 0.942 54.933 54.000 -0.015 0.000 0.873 618 D CB 0.206 41.003 40.800 -0.005 0.000 0.935 618 D HN 0.654 nan 8.370 nan 0.000 0.521 619 N N -0.436 118.252 118.700 -0.019 0.000 2.504 619 N HA 0.190 4.720 4.740 -0.351 0.000 0.268 619 N C -1.531 173.962 175.510 -0.029 0.000 1.184 619 N CA -0.375 52.666 53.050 -0.015 0.000 0.875 619 N CB 3.112 41.600 38.487 0.002 0.000 1.630 619 N HN -0.305 nan 8.380 nan 0.000 0.486 620 V N 1.657 121.551 119.914 -0.033 0.000 2.407 620 V HA 0.408 4.318 4.120 -0.351 0.000 0.291 620 V C -0.114 175.960 176.094 -0.033 0.000 1.018 620 V CA -0.729 61.543 62.300 -0.047 0.000 0.842 620 V CB 1.703 33.481 31.823 -0.074 0.000 0.996 620 V HN 0.367 nan 8.190 nan 0.000 0.426 621 V N 5.920 125.819 119.914 -0.025 0.000 2.407 621 V HA 0.424 4.333 4.120 -0.351 0.000 0.278 621 V C 0.070 176.160 176.094 -0.006 0.000 1.037 621 V CA -0.567 61.730 62.300 -0.004 0.000 0.900 621 V CB 1.690 33.523 31.823 0.016 0.000 0.983 621 V HN 0.578 nan 8.190 nan 0.000 0.459 622 I N 4.259 124.836 120.570 0.012 0.000 2.301 622 I HA 0.216 4.175 4.170 -0.351 0.000 0.292 622 I C 0.224 176.424 176.117 0.137 0.000 1.046 622 I CA 0.064 61.378 61.300 0.025 0.000 1.282 622 I CB 0.688 38.690 38.000 0.004 0.000 1.409 622 I HN 0.648 nan 8.210 nan 0.000 0.484 623 C N 5.710 125.066 119.300 0.093 0.000 2.975 623 C HA 0.430 4.679 4.460 -0.351 0.000 0.234 623 C C 1.343 176.365 174.990 0.053 0.000 1.666 623 C CA -0.595 58.478 59.018 0.092 0.000 1.534 623 C CB -0.478 27.261 27.740 -0.002 0.000 2.642 623 C HN 0.822 nan 8.230 nan 0.000 0.516 624 A N 0.924 123.792 122.820 0.080 0.000 2.734 624 A HA 0.597 4.706 4.320 -0.351 0.000 0.279 624 A C 1.102 178.727 177.584 0.069 0.000 1.386 624 A CA 0.798 52.871 52.037 0.060 0.000 0.987 624 A CB -0.841 18.181 19.000 0.036 0.000 1.041 624 A HN 1.354 nan 8.150 nan 0.000 0.569 625 G N -0.463 108.375 108.800 0.063 0.000 2.728 625 G HA2 -0.065 3.685 3.960 -0.351 0.000 0.294 625 G HA3 -0.065 3.685 3.960 -0.351 0.000 0.294 625 G C -0.727 174.230 174.900 0.094 0.000 1.342 625 G CA -0.286 44.849 45.100 0.057 0.000 0.866 625 G HN 0.837 nan 8.290 nan 0.000 0.534 626 Q N -0.589 119.253 119.800 0.070 0.000 2.495 626 Q HA 0.702 4.832 4.340 -0.351 0.000 0.287 626 Q C -0.975 175.054 176.000 0.047 0.000 1.078 626 Q CA -0.916 54.933 55.803 0.077 0.000 0.793 626 Q CB 2.661 31.446 28.738 0.078 0.000 1.459 626 Q HN 0.645 nan 8.270 nan 0.000 0.422 627 E N 1.430 121.654 120.200 0.039 0.000 2.292 627 E HA 0.358 4.498 4.350 -0.351 0.000 0.272 627 E C -2.634 173.975 176.600 0.015 0.000 0.881 627 E CA -2.257 54.156 56.400 0.023 0.000 0.754 627 E CB 2.312 32.024 29.700 0.019 0.000 1.201 627 E HN 0.314 nan 8.360 nan 0.000 0.425 628 P HA -0.077 nan 4.420 nan 0.000 0.266 628 P C -0.677 176.619 177.300 -0.007 0.000 1.195 628 P CA 0.040 63.138 63.100 -0.002 0.000 0.768 628 P CB 0.516 32.212 31.700 -0.007 0.000 0.838 629 N N 2.682 121.374 118.700 -0.012 0.000 2.546 629 N HA 0.145 4.674 4.740 -0.351 0.000 0.238 629 N C 0.045 175.539 175.510 -0.027 0.000 0.984 629 N CA -0.492 52.547 53.050 -0.018 0.000 0.935 629 N CB 0.217 38.693 38.487 -0.018 0.000 1.122 629 N HN 0.167 nan 8.380 nan 0.000 0.510 630 R N 2.776 123.260 120.500 -0.027 0.000 2.791 630 R HA 0.292 4.422 4.340 -0.351 0.000 0.357 630 R C 1.184 177.462 176.300 -0.036 0.000 1.173 630 R CA -0.143 55.938 56.100 -0.033 0.000 1.060 630 R CB 0.363 30.645 30.300 -0.030 0.000 1.406 630 R HN 0.525 nan 8.270 nan 0.000 0.580 631 A N 0.954 123.752 122.820 -0.037 0.000 1.971 631 A HA -0.198 3.911 4.320 -0.351 0.000 0.222 631 A C 1.572 179.130 177.584 -0.043 0.000 1.182 631 A CA 1.639 53.653 52.037 -0.039 0.000 0.649 631 A CB -0.056 18.919 19.000 -0.042 0.000 0.818 631 A HN 0.239 nan 8.150 nan 0.000 0.458 632 L N -1.416 119.777 121.223 -0.050 0.000 2.640 632 L HA 0.325 4.455 4.340 -0.351 0.000 0.230 632 L C 2.501 179.339 176.870 -0.053 0.000 1.123 632 L CA 0.816 55.623 54.840 -0.055 0.000 0.900 632 L CB -0.618 41.400 42.059 -0.067 0.000 1.146 632 L HN 0.328 nan 8.230 nan 0.000 0.484 633 A N -0.352 122.438 122.820 -0.049 0.000 1.859 633 A HA -0.237 3.872 4.320 -0.351 0.000 0.217 633 A C 2.263 179.820 177.584 -0.046 0.000 1.198 633 A CA 1.736 53.744 52.037 -0.049 0.000 0.629 633 A CB -0.319 18.657 19.000 -0.041 0.000 0.830 633 A HN 0.388 nan 8.150 nan 0.000 0.446 634 Q N -1.182 118.596 119.800 -0.038 0.000 2.062 634 Q HA -0.027 4.103 4.340 -0.351 0.000 0.196 634 Q C -0.287 175.692 176.000 -0.034 0.000 0.967 634 Q CA 1.462 57.245 55.803 -0.034 0.000 0.832 634 Q CB -1.596 27.125 28.738 -0.028 0.000 0.899 634 Q HN 0.443 nan 8.270 nan 0.000 0.442 635 P HA -0.118 nan 4.420 nan 0.000 0.222 635 P C 1.088 178.367 177.300 -0.036 0.000 1.142 635 P CA 1.108 64.188 63.100 -0.034 0.000 0.788 635 P CB -0.066 31.612 31.700 -0.037 0.000 0.767 636 L N -2.334 118.864 121.223 -0.042 0.000 2.357 636 L HA 0.085 4.214 4.340 -0.351 0.000 0.211 636 L C 2.136 178.980 176.870 -0.044 0.000 1.075 636 L CA 0.577 55.391 54.840 -0.044 0.000 0.830 636 L CB -0.297 41.728 42.059 -0.056 0.000 0.996 636 L HN -0.089 nan 8.230 nan 0.000 0.467 637 I N -0.228 120.316 120.570 -0.044 0.000 2.500 637 I HA -0.156 3.803 4.170 -0.351 0.000 0.252 637 I C 0.891 176.989 176.117 -0.032 0.000 1.142 637 I CA 0.870 62.145 61.300 -0.042 0.000 1.451 637 I CB -0.066 37.909 38.000 -0.041 0.000 1.093 637 I HN 0.182 nan 8.210 nan 0.000 0.430 638 D N 0.580 120.963 120.400 -0.029 0.000 2.344 638 D HA 0.068 4.498 4.640 -0.351 0.000 0.242 638 D C 0.751 177.038 176.300 -0.022 0.000 1.159 638 D CA 0.437 54.423 54.000 -0.023 0.000 0.859 638 D CB 0.404 41.191 40.800 -0.022 0.000 0.925 638 D HN 0.132 nan 8.370 nan 0.000 0.510 639 S N -0.978 114.708 115.700 -0.023 0.000 3.082 639 S HA 0.266 4.525 4.470 -0.351 0.000 0.253 639 S C 1.089 175.678 174.600 -0.019 0.000 0.961 639 S CA -0.210 57.978 58.200 -0.020 0.000 1.129 639 S CB 1.325 64.512 63.200 -0.020 0.000 1.083 639 S HN 0.322 nan 8.310 nan 0.000 0.605 640 G N 2.808 111.595 108.800 -0.021 0.000 2.395 640 G HA2 -0.290 3.460 3.960 -0.351 0.000 0.300 640 G HA3 -0.290 3.460 3.960 -0.351 0.000 0.300 640 G C -0.330 174.557 174.900 -0.021 0.000 0.998 640 G CA 0.578 45.666 45.100 -0.020 0.000 1.046 640 G HN 0.482 nan 8.290 nan 0.000 0.513 641 K N -0.008 120.374 120.400 -0.030 0.000 2.324 641 K HA 0.496 4.606 4.320 -0.351 0.000 0.253 641 K C 0.049 176.610 176.600 -0.066 0.000 0.932 641 K CA -0.755 55.513 56.287 -0.032 0.000 0.799 641 K CB 1.652 34.140 32.500 -0.020 0.000 1.154 641 K HN 0.048 nan 8.250 nan 0.000 0.425 642 T N 2.237 116.745 114.554 -0.076 0.000 2.799 642 T HA 0.197 4.336 4.350 -0.351 0.000 0.296 642 T C -0.201 174.351 174.700 -0.247 0.000 0.947 642 T CA -0.267 61.740 62.100 -0.154 0.000 1.141 642 T CB 0.161 68.955 68.868 -0.124 0.000 0.891 642 T HN 0.174 nan 8.240 nan 0.000 0.533 643 V N 4.535 124.248 119.914 -0.336 0.000 2.876 643 V HA 0.473 4.382 4.120 -0.351 0.000 0.312 643 V C -0.606 175.188 176.094 -0.500 0.000 1.085 643 V CA -1.042 61.051 62.300 -0.344 0.000 0.945 643 V CB 2.221 33.939 31.823 -0.174 0.000 1.017 643 V HN 0.811 nan 8.190 nan 0.000 0.428 644 H N 3.308 122.304 119.070 -0.124 0.000 2.690 644 H HA 0.668 5.014 4.556 -0.350 0.000 0.368 644 H C -1.157 174.077 175.328 -0.156 0.000 1.150 644 H CA -0.636 55.324 56.048 -0.147 0.000 1.174 644 H CB 2.384 32.018 29.762 -0.214 0.000 1.684 644 H HN 0.387 nan 8.280 nan 0.000 0.538 645 L N 4.197 125.422 121.223 0.003 0.000 2.333 645 L HA 0.518 4.647 4.340 -0.351 0.000 0.280 645 L C 0.029 176.862 176.870 -0.062 0.000 1.004 645 L CA -0.640 54.172 54.840 -0.046 0.000 0.820 645 L CB 1.461 43.499 42.059 -0.036 0.000 1.247 645 L HN 0.468 nan 8.230 nan 0.000 0.416 646 I N -0.585 119.932 120.570 -0.087 0.000 2.934 646 I HA 0.957 4.917 4.170 -0.351 0.000 0.306 646 I C 0.612 176.688 176.117 -0.069 0.000 1.110 646 I CA -0.607 60.642 61.300 -0.085 0.000 1.019 646 I CB 1.987 39.914 38.000 -0.121 0.000 1.227 646 I HN 0.690 nan 8.210 nan 0.000 0.434 647 G N 2.799 111.566 108.800 -0.055 0.000 2.552 647 G HA2 -0.240 3.510 3.960 -0.351 0.000 0.265 647 G HA3 -0.240 3.510 3.960 -0.351 0.000 0.265 647 G C 0.713 175.589 174.900 -0.040 0.000 1.234 647 G CA 0.431 45.500 45.100 -0.051 0.000 0.944 647 G HN 1.493 nan 8.290 nan 0.000 0.568 648 G N -0.314 108.462 108.800 -0.041 0.000 2.442 648 G HA2 -0.101 3.649 3.960 -0.351 0.000 0.219 648 G HA3 -0.101 3.649 3.960 -0.351 0.000 0.219 648 G C 2.167 177.053 174.900 -0.023 0.000 1.141 648 G CA 2.888 47.973 45.100 -0.026 0.000 0.763 648 G HN 2.163 nan 8.290 nan 0.000 0.554 649 C N -0.673 118.607 119.300 -0.032 0.000 2.511 649 C HA 0.273 4.523 4.460 -0.351 0.000 0.277 649 C C 1.782 176.754 174.990 -0.029 0.000 1.451 649 C CA 0.439 59.439 59.018 -0.031 0.000 1.735 649 C CB -0.662 27.054 27.740 -0.040 0.000 1.704 649 C HN 0.401 nan 8.230 nan 0.000 0.571 650 D N 0.270 120.654 120.400 -0.027 0.000 2.525 650 D HA 0.178 4.607 4.640 -0.351 0.000 0.248 650 D C 0.167 176.459 176.300 -0.014 0.000 1.000 650 D CA 0.730 54.717 54.000 -0.022 0.000 0.923 650 D CB 0.767 41.551 40.800 -0.026 0.000 1.101 650 D HN 0.301 nan 8.370 nan 0.000 0.493 651 V N 0.577 120.484 119.914 -0.012 0.000 2.817 651 V HA 0.657 4.567 4.120 -0.351 0.000 0.303 651 V C 0.144 176.236 176.094 -0.002 0.000 1.151 651 V CA -0.268 62.029 62.300 -0.005 0.000 0.929 651 V CB 1.654 33.475 31.823 -0.003 0.000 1.030 651 V HN 0.133 nan 8.190 nan 0.000 0.427 652 A N 3.275 126.097 122.820 0.004 0.000 2.259 652 A HA 0.270 4.379 4.320 -0.351 0.000 0.213 652 A C 1.620 179.212 177.584 0.014 0.000 1.209 652 A CA 0.236 52.279 52.037 0.009 0.000 0.910 652 A CB 0.003 19.012 19.000 0.014 0.000 0.946 652 A HN 0.725 nan 8.150 nan 0.000 0.497 653 M N 0.731 120.339 119.600 0.014 0.000 3.138 653 M HA -0.182 4.088 4.480 -0.351 0.000 0.280 653 M C 1.559 177.869 176.300 0.017 0.000 1.053 653 M CA 2.171 57.482 55.300 0.017 0.000 1.065 653 M CB -0.415 32.194 32.600 0.016 0.000 1.207 653 M HN 0.529 nan 8.290 nan 0.000 0.551 654 E N 0.722 120.932 120.200 0.016 0.000 2.496 654 E HA 0.130 4.270 4.350 -0.351 0.000 0.202 654 E C -0.294 176.316 176.600 0.017 0.000 1.021 654 E CA -0.030 56.381 56.400 0.017 0.000 1.015 654 E CB -0.350 29.360 29.700 0.017 0.000 1.102 654 E HN 0.286 nan 8.360 nan 0.000 0.452 655 L N 3.640 124.871 121.223 0.013 0.000 2.385 655 L HA 0.196 4.325 4.340 -0.351 0.000 0.285 655 L C -0.536 176.342 176.870 0.014 0.000 1.125 655 L CA 0.258 55.103 54.840 0.009 0.000 0.890 655 L CB -0.523 41.536 42.059 0.001 0.000 1.251 655 L HN 0.094 nan 8.230 nan 0.000 0.445 656 D N 3.209 123.625 120.400 0.027 0.000 2.530 656 D HA 0.366 4.795 4.640 -0.351 0.000 0.282 656 D C 1.034 177.364 176.300 0.049 0.000 1.204 656 D CA 0.017 54.045 54.000 0.047 0.000 1.093 656 D CB 0.511 41.354 40.800 0.071 0.000 1.154 656 D HN 0.275 nan 8.370 nan 0.000 0.593 657 A N -1.052 121.831 122.820 0.105 0.000 1.969 657 A HA -0.135 3.974 4.320 -0.351 0.000 0.218 657 A C 2.150 179.793 177.584 0.098 0.000 1.169 657 A CA 1.227 53.324 52.037 0.101 0.000 0.635 657 A CB -0.722 18.476 19.000 0.329 0.000 0.810 657 A HN 0.481 nan 8.150 nan 0.000 0.445 658 R N -0.419 120.147 120.500 0.110 0.000 2.070 658 R HA -0.157 3.972 4.340 -0.351 0.000 0.233 658 R C 2.370 178.696 176.300 0.043 0.000 1.137 658 R CA 1.865 58.014 56.100 0.082 0.000 0.945 658 R CB -0.286 30.055 30.300 0.068 0.000 0.845 658 R HN 0.427 nan 8.270 nan 0.000 0.430 659 R N 0.479 120.996 120.500 0.029 0.000 2.081 659 R HA -0.053 4.077 4.340 -0.351 0.000 0.235 659 R C 2.091 178.393 176.300 0.002 0.000 1.131 659 R CA 1.795 57.901 56.100 0.010 0.000 0.960 659 R CB -0.608 29.697 30.300 0.007 0.000 0.856 659 R HN 0.324 nan 8.270 nan 0.000 0.436 660 A N 0.610 123.427 122.820 -0.005 0.000 1.859 660 A HA -0.180 3.929 4.320 -0.351 0.000 0.217 660 A C 2.281 179.855 177.584 -0.017 0.000 1.198 660 A CA 1.939 53.957 52.037 -0.031 0.000 0.629 660 A CB -0.743 18.214 19.000 -0.072 0.000 0.830 660 A HN 0.376 nan 8.150 nan 0.000 0.446 661 I N -0.452 120.123 120.570 0.009 0.000 2.252 661 I HA -0.248 3.711 4.170 -0.351 0.000 0.245 661 I C 2.955 179.103 176.117 0.052 0.000 1.102 661 I CA 1.009 62.338 61.300 0.049 0.000 1.385 661 I CB -0.370 37.700 38.000 0.116 0.000 1.064 661 I HN 0.372 nan 8.210 nan 0.000 0.414 662 A N -0.010 122.830 122.820 0.033 0.000 1.972 662 A HA -0.277 3.832 4.320 -0.351 0.000 0.219 662 A C 2.296 179.890 177.584 0.016 0.000 1.169 662 A CA 1.792 53.838 52.037 0.014 0.000 0.635 662 A CB -0.603 18.390 19.000 -0.012 0.000 0.810 662 A HN 0.511 nan 8.150 nan 0.000 0.446 663 Q N -0.827 118.979 119.800 0.011 0.000 2.020 663 Q HA -0.050 4.080 4.340 -0.351 0.000 0.198 663 Q C 2.124 178.138 176.000 0.024 0.000 0.974 663 Q CA 1.409 57.214 55.803 0.003 0.000 0.829 663 Q CB -0.491 28.239 28.738 -0.014 0.000 0.894 663 Q HN 0.554 nan 8.270 nan 0.000 0.433 664 G N -0.418 108.406 108.800 0.039 0.000 2.418 664 G HA2 -0.247 3.502 3.960 -0.351 0.000 0.217 664 G HA3 -0.247 3.502 3.960 -0.351 0.000 0.217 664 G C 1.365 176.384 174.900 0.197 0.000 1.158 664 G CA 1.330 46.500 45.100 0.116 0.000 0.771 664 G HN 0.372 nan 8.290 nan 0.000 0.545 665 T N 0.361 114.984 114.554 0.116 0.000 2.788 665 T HA -0.052 4.087 4.350 -0.351 0.000 0.268 665 T C 2.467 177.215 174.700 0.081 0.000 1.044 665 T CA 0.980 63.136 62.100 0.094 0.000 1.139 665 T CB -0.105 68.808 68.868 0.075 0.000 0.867 665 T HN 0.227 nan 8.240 nan 0.000 0.454 666 R N 0.266 120.804 120.500 0.063 0.000 2.092 666 R HA 0.107 4.236 4.340 -0.351 0.000 0.231 666 R C 2.482 178.817 176.300 0.058 0.000 1.119 666 R CA 0.791 56.917 56.100 0.044 0.000 0.970 666 R CB -0.506 29.806 30.300 0.019 0.000 0.864 666 R HN 0.339 nan 8.270 nan 0.000 0.440 667 L N 0.415 121.688 121.223 0.084 0.000 1.994 667 L HA -0.164 3.966 4.340 -0.351 0.000 0.208 667 L C 2.421 179.430 176.870 0.232 0.000 1.071 667 L CA 1.558 56.449 54.840 0.085 0.000 0.745 667 L CB -0.508 41.543 42.059 -0.012 0.000 0.892 667 L HN 0.204 nan 8.230 nan 0.000 0.431 668 A N -0.066 122.970 122.820 0.361 0.000 1.958 668 A HA -0.248 3.861 4.320 -0.351 0.000 0.221 668 A C 2.096 179.672 177.584 -0.014 0.000 1.178 668 A CA 1.935 53.956 52.037 -0.027 0.000 0.642 668 A CB -0.832 17.994 19.000 -0.289 0.000 0.816 668 A HN 0.552 nan 8.150 nan 0.000 0.453 669 L N -1.518 119.726 121.223 0.035 0.000 2.492 669 L HA -0.023 4.107 4.340 -0.351 0.000 0.223 669 L C 2.438 179.339 176.870 0.052 0.000 1.132 669 L CA 1.137 56.000 54.840 0.038 0.000 0.850 669 L CB -0.203 41.879 42.059 0.038 0.000 0.966 669 L HN 0.617 nan 8.230 nan 0.000 0.454 670 E N 0.562 120.795 120.200 0.054 0.000 2.110 670 E HA -0.003 4.137 4.350 -0.351 0.000 0.193 670 E C 1.361 177.996 176.600 0.059 0.000 0.950 670 E CA -0.165 56.262 56.400 0.046 0.000 0.840 670 E CB 0.486 30.200 29.700 0.022 0.000 0.809 670 E HN 0.231 nan 8.360 nan 0.000 0.465 671 I N 0.000 120.599 120.570 0.049 0.000 2.984 671 I HA 0.000 3.959 4.170 -0.351 0.000 0.288 671 I CA 0.000 61.317 61.300 0.029 0.000 1.566 671 I CB 0.000 37.998 38.000 -0.004 0.000 1.214 671 I HN 0.000 nan 8.210 nan 0.000 0.494