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 3hjf_1_A DATA FIRST_RESID 3 DATA SEQUENCE HLGKTEVFLN RFALRPLNPE ELRPWRLEVV LDPPPGREEV YPLLAQVARR DATA SEQUENCE AGGVTVRMGD GLASWSPPEV LVLEGTLARM GQTYAYRLYP KGRRPLDPKD DATA SEQUENCE PGERSVLSAL ARRLLQERLR RLEGVWVEGL AVYRREHARG PGWRVLGGAV DATA SEQUENCE LDLWVSDSGA FLLEVDPAYR ILCEMSLEAW LAQGHPLPKR VRNAYDRRTW DATA SEQUENCE ELLRLGEEDP KEXXXXXGLS LLDYHASKGR LQGREGGRVA WVADPKDPRK DATA SEQUENCE PIPHLTGLLV PVLTLEDXXX XXXXXXLSLP WEERRRRTRE IASWIGRRLG DATA SEQUENCE LGTPEAVRAQ AYRLSIPKLM GRRAVSKPAD ALRVGFYRAQ ETALALLRLD DATA SEQUENCE GAQGWPEFLR RALLRAFGAS GASLRLHTLH AHPSQGLAFR EALRKAKEEG DATA SEQUENCE VQAVLVLTPP MAWEDRNRLK ALLLREGLPS QILNVPLREE ERHRWENALL DATA SEQUENCE GLLAKAGLQV VALSGAYPAE LAVGFDAGGR ESFRFGGAAC AVGGDGGHLL DATA SEQUENCE WTLPEAQAGE RIPQEVVWDL LEETLWAFRR KAGRLPSRVL LLREGRVPQD DATA SEQUENCE EFALALEALA REGIAYDLVS VRKSGGGRVY PVQGRLADGL YVPLEDKTFL DATA SEQUENCE LLTVXXXXRG TPRPLKLVHE AGDTPLEALA HQIFHLTRLY PASGFAFPRL DATA SEQUENCE PAPLHLADRL VKEVGRLGIR HLKEVDREKL FFV 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 3 H HA 0.000 nan 4.556 nan 0.000 0.296 3 H C 0.000 175.333 175.328 0.009 0.000 0.993 3 H CA 0.000 56.010 56.048 -0.064 0.000 1.023 3 H CB 0.000 29.705 29.762 -0.095 0.000 1.292 4 L N 1.709 122.965 121.223 0.055 0.000 2.600 4 L HA 0.869 5.240 4.340 0.051 0.000 0.221 4 L C 1.162 178.100 176.870 0.113 0.000 1.197 4 L CA 0.580 55.468 54.840 0.079 0.000 0.838 4 L CB 0.867 42.980 42.059 0.091 0.000 1.474 4 L HN 0.921 nan 8.230 nan 0.000 0.514 5 G N 0.732 109.583 108.800 0.086 0.000 2.372 5 G HA2 0.257 4.247 3.960 0.051 0.000 0.283 5 G HA3 0.257 4.247 3.960 0.051 0.000 0.283 5 G C 0.012 174.938 174.900 0.044 0.000 1.177 5 G CA -0.510 44.631 45.100 0.069 0.000 0.842 5 G HN 0.635 nan 8.290 nan 0.000 0.503 6 K N -0.001 120.402 120.400 0.005 0.000 2.168 6 K HA 0.371 4.721 4.320 0.051 0.000 0.244 6 K C -0.012 176.472 176.600 -0.193 0.000 1.065 6 K CA 0.632 56.799 56.287 -0.200 0.000 0.808 6 K CB 0.222 32.599 32.500 -0.204 0.000 1.080 6 K HN 0.521 nan 8.250 nan 0.000 0.526 7 T N 0.193 114.582 114.554 -0.276 0.000 3.094 7 T HA 0.065 4.445 4.350 0.051 0.000 0.373 7 T C -1.756 172.799 174.700 -0.242 0.000 1.806 7 T CA -0.813 61.161 62.100 -0.211 0.000 1.107 7 T CB 1.375 70.134 68.868 -0.182 0.000 1.632 7 T HN 0.539 nan 8.240 nan 0.000 0.488 8 E N 1.259 121.344 120.200 -0.192 0.000 2.183 8 E HA 0.739 5.119 4.350 0.051 0.000 0.271 8 E C -1.349 175.110 176.600 -0.234 0.000 0.919 8 E CA -0.674 55.614 56.400 -0.188 0.000 0.781 8 E CB 1.688 31.310 29.700 -0.130 0.000 1.140 8 E HN 0.358 nan 8.360 nan 0.000 0.402 9 V N 4.231 124.006 119.914 -0.230 0.000 3.007 9 V HA 0.478 4.628 4.120 0.051 0.000 0.311 9 V C -0.931 175.041 176.094 -0.203 0.000 1.120 9 V CA -0.851 61.269 62.300 -0.299 0.000 0.980 9 V CB 1.701 33.400 31.823 -0.208 0.000 1.033 9 V HN 0.560 nan 8.190 nan 0.000 0.429 10 F N 1.981 121.937 119.950 0.011 0.000 2.469 10 F HA 0.808 5.365 4.527 0.051 0.000 0.332 10 F C -0.188 175.625 175.800 0.021 0.000 1.103 10 F CA -1.127 56.871 58.000 -0.003 0.000 0.979 10 F CB 0.654 39.641 39.000 -0.023 0.000 1.137 10 F HN 0.167 nan 8.300 nan 0.000 0.463 11 L N 2.054 123.389 121.223 0.186 0.000 2.476 11 L HA 0.172 4.542 4.340 0.051 0.000 0.255 11 L C 0.957 177.871 176.870 0.073 0.000 1.218 11 L CA -0.591 54.309 54.840 0.100 0.000 0.819 11 L CB 0.482 42.569 42.059 0.047 0.000 1.119 11 L HN 0.839 nan 8.230 nan 0.000 0.485 12 N N 0.357 119.117 118.700 0.100 0.000 2.906 12 N HA 0.078 4.848 4.740 0.051 0.000 0.282 12 N C -0.491 174.994 175.510 -0.042 0.000 1.293 12 N CA -0.326 52.786 53.050 0.103 0.000 1.059 12 N CB 0.121 38.765 38.487 0.262 0.000 1.388 12 N HN 0.497 nan 8.380 nan 0.000 0.533 13 R N 0.049 120.380 120.500 -0.282 0.000 2.888 13 R HA 0.549 4.919 4.340 0.051 0.000 0.266 13 R C -1.263 174.609 176.300 -0.714 0.000 1.020 13 R CA -0.722 55.221 56.100 -0.262 0.000 0.963 13 R CB 1.153 31.429 30.300 -0.040 0.000 1.197 13 R HN 0.040 nan 8.270 nan 0.000 0.481 14 F N -0.359 119.547 119.950 -0.073 0.000 2.613 14 F HA 0.581 5.139 4.527 0.051 0.000 0.310 14 F C -0.312 175.428 175.800 -0.101 0.000 1.085 14 F CA -1.025 56.927 58.000 -0.080 0.000 0.945 14 F CB 2.147 41.096 39.000 -0.085 0.000 1.298 14 F HN 0.607 nan 8.300 nan 0.000 0.455 15 A N 3.078 125.962 122.820 0.107 0.000 2.301 15 A HA 0.896 5.246 4.320 0.051 0.000 0.312 15 A C -0.928 176.692 177.584 0.060 0.000 1.182 15 A CA -0.366 51.700 52.037 0.048 0.000 0.826 15 A CB 0.589 19.608 19.000 0.033 0.000 1.134 15 A HN 0.769 nan 8.150 nan 0.000 0.501 16 L N 1.206 122.468 121.223 0.065 0.000 2.171 16 L HA 0.615 4.986 4.340 0.051 0.000 0.253 16 L C 0.663 177.603 176.870 0.117 0.000 1.054 16 L CA -1.439 53.444 54.840 0.071 0.000 0.927 16 L CB 0.664 42.747 42.059 0.041 0.000 1.513 16 L HN 0.893 nan 8.230 nan 0.000 0.471 17 R N 1.422 121.997 120.500 0.124 0.000 2.623 17 R HA 0.167 4.538 4.340 0.051 0.000 0.271 17 R C -2.757 173.609 176.300 0.109 0.000 1.043 17 R CA -1.044 55.117 56.100 0.101 0.000 1.083 17 R CB -0.266 30.072 30.300 0.064 0.000 0.974 17 R HN 0.146 nan 8.270 nan 0.000 0.436 18 P HA -0.018 nan 4.420 nan 0.000 0.265 18 P C -0.442 176.786 177.300 -0.120 0.000 1.193 18 P CA -0.243 62.816 63.100 -0.068 0.000 0.765 18 P CB 0.254 31.926 31.700 -0.046 0.000 0.823 19 L N 3.295 124.358 121.223 -0.266 0.000 2.514 19 L HA 0.035 4.405 4.340 0.051 0.000 0.280 19 L C 1.226 178.005 176.870 -0.153 0.000 1.223 19 L CA 0.732 55.400 54.840 -0.286 0.000 0.864 19 L CB -0.614 41.243 42.059 -0.337 0.000 1.118 19 L HN 0.466 nan 8.230 nan 0.000 0.494 20 N N 2.988 121.599 118.700 -0.148 0.000 2.493 20 N HA 0.345 5.115 4.740 0.051 0.000 0.275 20 N C -2.223 173.228 175.510 -0.098 0.000 1.186 20 N CA -1.738 51.248 53.050 -0.106 0.000 0.978 20 N CB 0.132 38.560 38.487 -0.097 0.000 1.184 20 N HN 0.228 nan 8.380 nan 0.000 0.487 21 P HA -0.197 nan 4.420 nan 0.000 0.220 21 P C 0.409 177.673 177.300 -0.060 0.000 1.142 21 P CA 1.381 64.448 63.100 -0.055 0.000 0.801 21 P CB 0.181 31.854 31.700 -0.045 0.000 0.764 22 E N -1.200 118.955 120.200 -0.076 0.000 2.364 22 E HA -0.002 4.378 4.350 0.051 0.000 0.196 22 E C 1.504 178.058 176.600 -0.077 0.000 0.990 22 E CA 0.510 56.871 56.400 -0.065 0.000 0.886 22 E CB -0.005 29.674 29.700 -0.035 0.000 0.866 22 E HN 0.454 nan 8.360 nan 0.000 0.493 23 E N 0.371 120.463 120.200 -0.180 0.000 2.442 23 E HA 0.106 4.486 4.350 0.051 0.000 0.195 23 E C 1.613 178.360 176.600 0.245 0.000 1.030 23 E CA 0.015 56.255 56.400 -0.267 0.000 0.869 23 E CB 0.304 29.552 29.700 -0.755 0.000 0.857 23 E HN 0.113 nan 8.360 nan 0.000 0.505 24 L N 0.248 121.523 121.223 0.087 0.000 2.591 24 L HA 0.135 4.505 4.340 0.051 0.000 0.228 24 L C 1.361 178.280 176.870 0.083 0.000 1.133 24 L CA 0.291 55.188 54.840 0.094 0.000 0.880 24 L CB 0.202 42.271 42.059 0.016 0.000 1.033 24 L HN -0.093 nan 8.230 nan 0.000 0.450 25 R N 0.851 121.398 120.500 0.077 0.000 2.653 25 R HA 0.275 4.646 4.340 0.051 0.000 0.269 25 R C -2.615 173.678 176.300 -0.012 0.000 1.603 25 R CA -1.691 54.405 56.100 -0.006 0.000 1.671 25 R CB 0.928 31.171 30.300 -0.095 0.000 1.300 25 R HN -0.113 nan 8.270 nan 0.000 0.668 26 P HA -0.079 nan 4.420 nan 0.000 0.267 26 P C -0.818 176.534 177.300 0.087 0.000 1.201 26 P CA 0.223 63.456 63.100 0.221 0.000 0.775 26 P CB 0.411 32.186 31.700 0.124 0.000 0.854 27 W N 1.852 123.232 121.300 0.134 0.000 2.202 27 W HA 0.417 5.107 4.660 0.050 0.000 0.332 27 W C 1.071 177.625 176.519 0.058 0.000 1.263 27 W CA 0.073 57.471 57.345 0.089 0.000 1.223 27 W CB 0.236 29.752 29.460 0.092 0.000 1.128 27 W HN 0.209 nan 8.180 nan 0.000 0.573 28 R N 1.436 122.090 120.500 0.256 0.000 2.637 28 R HA 0.859 5.229 4.340 0.051 0.000 0.291 28 R C -1.242 175.156 176.300 0.163 0.000 0.963 28 R CA -0.619 55.577 56.100 0.160 0.000 0.901 28 R CB 0.984 31.343 30.300 0.099 0.000 1.160 28 R HN 0.535 nan 8.270 nan 0.000 0.457 29 L N 0.376 121.674 121.223 0.126 0.000 2.493 29 L HA 0.804 5.174 4.340 0.051 0.000 0.265 29 L C -0.151 176.783 176.870 0.106 0.000 0.954 29 L CA -0.630 54.285 54.840 0.125 0.000 0.844 29 L CB 0.768 42.895 42.059 0.114 0.000 1.302 29 L HN 0.933 nan 8.230 nan 0.000 0.405 30 E N 1.001 121.280 120.200 0.131 0.000 2.280 30 E HA 0.833 5.213 4.350 0.051 0.000 0.264 30 E C -0.295 176.398 176.600 0.156 0.000 1.064 30 E CA -0.002 56.465 56.400 0.112 0.000 0.900 30 E CB 1.716 31.470 29.700 0.090 0.000 1.123 30 E HN 1.856 nan 8.360 nan 0.000 0.418 31 V N -0.448 119.535 119.914 0.115 0.000 3.019 31 V HA 0.777 4.927 4.120 0.051 0.000 0.317 31 V C -0.439 175.748 176.094 0.156 0.000 1.094 31 V CA -0.789 61.593 62.300 0.137 0.000 1.000 31 V CB 2.039 33.891 31.823 0.049 0.000 1.060 31 V HN 0.688 nan 8.190 nan 0.000 0.443 32 V N 2.141 122.176 119.914 0.202 0.000 2.559 32 V HA 0.622 4.772 4.120 0.051 0.000 0.289 32 V C -0.102 176.102 176.094 0.184 0.000 1.036 32 V CA -0.286 62.122 62.300 0.180 0.000 0.887 32 V CB 1.299 33.276 31.823 0.256 0.000 1.022 32 V HN 0.974 nan 8.190 nan 0.000 0.442 33 L N 2.054 123.362 121.223 0.141 0.000 2.331 33 L HA 1.083 5.454 4.340 0.051 0.000 0.275 33 L C -0.399 176.577 176.870 0.175 0.000 1.022 33 L CA -0.483 54.466 54.840 0.181 0.000 0.812 33 L CB 1.590 43.735 42.059 0.143 0.000 1.257 33 L HN 0.768 nan 8.230 nan 0.000 0.435 34 D N 1.572 122.091 120.400 0.198 0.000 2.613 34 D HA 0.459 5.129 4.640 0.051 0.000 0.230 34 D C -3.010 173.325 176.300 0.058 0.000 1.365 34 D CA -1.491 52.581 54.000 0.119 0.000 0.976 34 D CB 2.350 43.197 40.800 0.078 0.000 1.415 34 D HN 0.330 nan 8.370 nan 0.000 0.589 35 P HA 0.153 nan 4.420 nan 0.000 0.260 35 P C -2.416 174.973 177.300 0.149 0.000 1.172 35 P CA -0.583 62.523 63.100 0.011 0.000 0.760 35 P CB -0.075 31.557 31.700 -0.113 0.000 0.773 36 P HA 0.007 nan 4.420 nan 0.000 0.264 36 P C -2.085 175.285 177.300 0.117 0.000 1.179 36 P CA -0.402 62.756 63.100 0.096 0.000 0.763 36 P CB -0.834 30.899 31.700 0.054 0.000 0.806 37 P HA 0.079 nan 4.420 nan 0.000 0.270 37 P C 0.678 178.002 177.300 0.039 0.000 1.227 37 P CA 0.161 63.285 63.100 0.041 0.000 0.788 37 P CB 0.372 32.056 31.700 -0.028 0.000 0.926 38 G N -0.558 108.257 108.800 0.025 0.000 2.882 38 G HA2 0.494 4.484 3.960 0.051 0.000 0.164 38 G HA3 0.494 4.484 3.960 0.051 0.000 0.164 38 G C 0.974 175.881 174.900 0.012 0.000 1.429 38 G CA 0.318 45.435 45.100 0.028 0.000 1.059 38 G HN 0.546 nan 8.290 nan 0.000 0.581 39 R N -1.890 118.622 120.500 0.020 0.000 1.950 39 R HA 0.552 4.922 4.340 0.051 0.000 0.200 39 R C 2.237 178.562 176.300 0.042 0.000 1.476 39 R CA 1.670 57.787 56.100 0.027 0.000 1.145 39 R CB -1.526 28.791 30.300 0.028 0.000 0.942 39 R HN 0.779 nan 8.270 nan 0.000 0.484 40 E N 0.666 120.893 120.200 0.044 0.000 2.403 40 E HA 0.353 4.734 4.350 0.051 0.000 0.188 40 E C 1.360 177.990 176.600 0.050 0.000 1.056 40 E CA 0.885 57.323 56.400 0.063 0.000 0.892 40 E CB -0.514 29.213 29.700 0.044 0.000 1.049 40 E HN 0.853 nan 8.360 nan 0.000 0.465 41 E N -0.384 119.828 120.200 0.020 0.000 2.452 41 E HA 0.286 4.666 4.350 0.051 0.000 0.197 41 E C 2.122 178.686 176.600 -0.059 0.000 1.022 41 E CA 0.750 57.141 56.400 -0.014 0.000 0.890 41 E CB -0.310 29.379 29.700 -0.019 0.000 0.918 41 E HN 0.344 nan 8.360 nan 0.000 0.496 42 V N 0.028 119.900 119.914 -0.070 0.000 2.255 42 V HA -0.261 3.890 4.120 0.051 0.000 0.247 42 V C 2.313 178.268 176.094 -0.232 0.000 1.051 42 V CA 2.019 64.203 62.300 -0.193 0.000 1.018 42 V CB -0.643 31.002 31.823 -0.296 0.000 0.641 42 V HN 0.717 nan 8.190 nan 0.000 0.445 43 Y N -0.145 120.122 120.300 -0.055 0.000 2.184 43 Y HA -0.012 4.569 4.550 0.051 0.000 0.290 43 Y C 0.009 175.872 175.900 -0.063 0.000 1.129 43 Y CA 1.101 59.169 58.100 -0.054 0.000 1.144 43 Y CB -1.829 36.607 38.460 -0.041 0.000 0.995 43 Y HN 0.365 nan 8.280 nan 0.000 0.513 44 P HA -0.120 nan 4.420 nan 0.000 0.236 44 P C 1.210 178.484 177.300 -0.044 0.000 1.172 44 P CA 1.321 64.429 63.100 0.013 0.000 0.759 44 P CB 0.046 31.748 31.700 0.004 0.000 0.843 45 L N -2.223 118.950 121.223 -0.085 0.000 2.526 45 L HA 0.188 4.558 4.340 0.051 0.000 0.210 45 L C 1.775 178.549 176.870 -0.160 0.000 1.048 45 L CA 0.268 55.016 54.840 -0.153 0.000 0.852 45 L CB -0.566 41.349 42.059 -0.239 0.000 1.128 45 L HN -0.243 nan 8.230 nan 0.000 0.482 46 L N 0.768 121.897 121.223 -0.156 0.000 2.349 46 L HA -0.075 4.295 4.340 0.051 0.000 0.220 46 L C 2.306 179.115 176.870 -0.100 0.000 1.130 46 L CA 1.870 56.619 54.840 -0.152 0.000 0.791 46 L CB -0.550 41.392 42.059 -0.195 0.000 0.918 46 L HN 0.364 nan 8.230 nan 0.000 0.444 47 A N -1.501 121.280 122.820 -0.065 0.000 1.935 47 A HA -0.168 4.183 4.320 0.051 0.000 0.214 47 A C 2.236 179.779 177.584 -0.070 0.000 1.178 47 A CA 1.038 53.049 52.037 -0.043 0.000 0.640 47 A CB -0.438 18.556 19.000 -0.010 0.000 0.825 47 A HN 0.547 nan 8.150 nan 0.000 0.447 48 Q N -0.312 119.434 119.800 -0.090 0.000 2.297 48 Q HA -0.037 4.333 4.340 0.051 0.000 0.204 48 Q C 1.451 177.364 176.000 -0.146 0.000 0.962 48 Q CA 1.274 57.017 55.803 -0.100 0.000 0.879 48 Q CB -0.042 28.637 28.738 -0.098 0.000 0.947 48 Q HN 0.364 nan 8.270 nan 0.000 0.462 49 V N 0.284 120.081 119.914 -0.196 0.000 2.788 49 V HA -0.072 4.078 4.120 0.051 0.000 0.251 49 V C 2.165 178.122 176.094 -0.229 0.000 1.068 49 V CA 1.226 63.339 62.300 -0.311 0.000 1.090 49 V CB -0.251 31.334 31.823 -0.397 0.000 0.710 49 V HN 0.491 nan 8.190 nan 0.000 0.467 50 A N 0.655 123.392 122.820 -0.138 0.000 1.940 50 A HA -0.261 4.089 4.320 0.051 0.000 0.219 50 A C 2.491 180.035 177.584 -0.067 0.000 1.176 50 A CA 2.539 54.526 52.037 -0.083 0.000 0.631 50 A CB -0.619 18.347 19.000 -0.058 0.000 0.814 50 A HN 0.513 nan 8.150 nan 0.000 0.446 51 R N -0.333 120.124 120.500 -0.071 0.000 2.066 51 R HA -0.052 4.319 4.340 0.051 0.000 0.232 51 R C 2.248 178.523 176.300 -0.042 0.000 1.131 51 R CA 1.985 58.057 56.100 -0.046 0.000 0.955 51 R CB -0.919 29.355 30.300 -0.042 0.000 0.851 51 R HN 0.523 nan 8.270 nan 0.000 0.432 52 R N 0.398 120.853 120.500 -0.075 0.000 2.115 52 R HA 0.147 4.517 4.340 0.051 0.000 0.230 52 R C 2.445 178.750 176.300 0.009 0.000 1.111 52 R CA 1.539 57.613 56.100 -0.043 0.000 0.976 52 R CB -0.816 29.425 30.300 -0.098 0.000 0.870 52 R HN 0.500 nan 8.270 nan 0.000 0.445 53 A N -0.495 122.307 122.820 -0.030 0.000 1.978 53 A HA 0.193 4.543 4.320 0.051 0.000 0.220 53 A C 1.161 178.770 177.584 0.043 0.000 1.170 53 A CA 1.452 53.517 52.037 0.045 0.000 0.636 53 A CB -0.884 18.122 19.000 0.009 0.000 0.810 53 A HN 0.645 nan 8.150 nan 0.000 0.448 54 G N -3.515 105.296 108.800 0.019 0.000 2.631 54 G HA2 0.429 4.420 3.960 0.051 0.000 0.504 54 G HA3 0.429 4.420 3.960 0.051 0.000 0.504 54 G C 0.903 175.812 174.900 0.014 0.000 1.306 54 G CA 0.080 45.190 45.100 0.017 0.000 0.897 54 G HN 2.371 nan 8.290 nan 0.000 0.520 55 G N -2.253 106.556 108.800 0.016 0.000 2.668 55 G HA2 0.134 4.125 3.960 0.051 0.000 0.266 55 G HA3 0.134 4.125 3.960 0.051 0.000 0.266 55 G C 0.395 175.323 174.900 0.046 0.000 1.328 55 G CA 0.565 45.681 45.100 0.027 0.000 0.911 55 G HN 1.990 nan 8.290 nan 0.000 0.567 56 V N 2.270 122.236 119.914 0.086 0.000 2.267 56 V HA 0.527 4.677 4.120 0.051 0.000 0.254 56 V C 0.958 177.101 176.094 0.082 0.000 1.144 56 V CA 0.810 63.179 62.300 0.116 0.000 0.992 56 V CB -0.213 31.750 31.823 0.233 0.000 1.199 56 V HN 1.290 nan 8.190 nan 0.000 0.493 57 T N 2.079 116.648 114.554 0.026 0.000 2.886 57 T HA 0.805 5.185 4.350 0.051 0.000 0.292 57 T C -0.740 173.939 174.700 -0.035 0.000 1.012 57 T CA -0.640 61.457 62.100 -0.005 0.000 0.982 57 T CB 1.886 70.757 68.868 0.004 0.000 1.018 57 T HN 0.560 nan 8.240 nan 0.000 0.451 58 V N 0.867 120.745 119.914 -0.060 0.000 3.007 58 V HA 0.739 4.889 4.120 0.051 0.000 0.311 58 V C -0.064 176.003 176.094 -0.045 0.000 1.120 58 V CA -1.552 60.713 62.300 -0.059 0.000 0.980 58 V CB 1.928 33.700 31.823 -0.085 0.000 1.033 58 V HN 1.250 nan 8.190 nan 0.000 0.429 59 R N 3.275 123.760 120.500 -0.026 0.000 2.543 59 R HA 0.559 4.929 4.340 0.051 0.000 0.277 59 R C -0.500 175.804 176.300 0.006 0.000 1.074 59 R CA -0.309 55.788 56.100 -0.004 0.000 1.076 59 R CB 0.740 31.052 30.300 0.021 0.000 0.993 59 R HN 1.008 nan 8.270 nan 0.000 0.459 60 M N 5.681 125.290 119.600 0.016 0.000 1.962 60 M HA 0.227 4.738 4.480 0.051 0.000 0.227 60 M C -0.396 175.929 176.300 0.041 0.000 0.890 60 M CA 0.417 55.728 55.300 0.020 0.000 0.843 60 M CB 0.830 33.430 32.600 -0.001 0.000 1.894 60 M HN 1.004 nan 8.290 nan 0.000 0.359 61 G N 1.581 110.429 108.800 0.081 0.000 2.496 61 G HA2 -0.336 3.654 3.960 0.051 0.000 0.243 61 G HA3 -0.336 3.654 3.960 0.051 0.000 0.243 61 G C 0.051 175.003 174.900 0.087 0.000 1.176 61 G CA 0.573 45.734 45.100 0.101 0.000 0.940 61 G HN 0.702 nan 8.290 nan 0.000 0.573 62 D N 0.462 120.880 120.400 0.029 0.000 2.323 62 D HA 0.497 5.168 4.640 0.051 0.000 0.209 62 D C 1.523 177.790 176.300 -0.055 0.000 0.973 62 D CA 1.974 55.947 54.000 -0.044 0.000 0.874 62 D CB 0.096 40.881 40.800 -0.026 0.000 0.930 62 D HN 1.680 nan 8.370 nan 0.000 0.521 63 G N -0.674 108.118 108.800 -0.012 0.000 2.605 63 G HA2 0.578 4.568 3.960 0.051 0.000 0.296 63 G HA3 0.578 4.568 3.960 0.051 0.000 0.296 63 G C -0.089 174.815 174.900 0.008 0.000 1.304 63 G CA -0.366 44.733 45.100 -0.002 0.000 0.941 63 G HN 0.421 nan 8.290 nan 0.000 0.475 64 L N -1.021 120.207 121.223 0.008 0.000 2.454 64 L HA 0.885 5.255 4.340 0.051 0.000 0.256 64 L C 0.263 177.148 176.870 0.024 0.000 1.136 64 L CA -0.822 54.022 54.840 0.006 0.000 0.804 64 L CB 0.585 42.636 42.059 -0.012 0.000 1.181 64 L HN 0.689 nan 8.230 nan 0.000 0.469 65 A N 0.565 123.389 122.820 0.006 0.000 2.350 65 A HA 0.750 5.100 4.320 0.051 0.000 0.318 65 A C -0.380 177.211 177.584 0.012 0.000 1.132 65 A CA -0.439 51.609 52.037 0.019 0.000 0.811 65 A CB 1.654 20.638 19.000 -0.027 0.000 1.313 65 A HN 0.840 nan 8.150 nan 0.000 0.454 66 S N -0.880 114.871 115.700 0.085 0.000 2.533 66 S HA 0.500 5.000 4.470 0.051 0.000 0.271 66 S C -1.095 173.701 174.600 0.326 0.000 1.143 66 S CA -0.367 57.908 58.200 0.125 0.000 0.891 66 S CB 0.725 63.993 63.200 0.113 0.000 1.105 66 S HN 0.681 nan 8.310 nan 0.000 0.468 67 W N 2.449 123.852 121.300 0.171 0.000 3.211 67 W HA 0.410 5.101 4.660 0.051 0.000 0.292 67 W C 0.481 177.096 176.519 0.159 0.000 1.268 67 W CA -0.476 57.004 57.345 0.226 0.000 1.702 67 W CB -0.349 29.207 29.460 0.160 0.000 1.092 67 W HN 0.521 nan 8.180 nan 0.000 0.643 68 S N 0.761 116.586 115.700 0.209 0.000 2.525 68 S HA 0.413 4.913 4.470 0.051 0.000 0.290 68 S C -2.376 171.954 174.600 -0.450 0.000 1.152 68 S CA -1.159 57.009 58.200 -0.053 0.000 1.072 68 S CB 1.727 64.911 63.200 -0.027 0.000 1.027 68 S HN -0.299 nan 8.310 nan 0.000 0.500 69 P HA 0.187 nan 4.420 nan 0.000 0.269 69 P C -2.041 174.871 177.300 -0.647 0.000 1.209 69 P CA -1.242 61.082 63.100 -1.293 0.000 0.776 69 P CB -0.044 31.087 31.700 -0.949 0.000 0.876 70 P HA -0.196 nan 4.420 nan 0.000 0.218 70 P C 0.866 178.060 177.300 -0.176 0.000 1.146 70 P CA 1.533 64.500 63.100 -0.222 0.000 0.813 70 P CB -0.017 31.616 31.700 -0.112 0.000 0.778 71 E N -1.026 119.047 120.200 -0.212 0.000 2.358 71 E HA -0.056 4.324 4.350 0.051 0.000 0.195 71 E C 1.319 177.851 176.600 -0.113 0.000 1.010 71 E CA 0.580 56.899 56.400 -0.135 0.000 0.856 71 E CB -0.490 29.138 29.700 -0.120 0.000 0.795 71 E HN 0.216 nan 8.360 nan 0.000 0.504 72 V N -1.406 118.425 119.914 -0.137 0.000 3.170 72 V HA 0.360 4.510 4.120 0.051 0.000 0.354 72 V C 0.061 176.110 176.094 -0.075 0.000 1.350 72 V CA -0.308 61.935 62.300 -0.095 0.000 1.244 72 V CB -0.699 31.067 31.823 -0.095 0.000 1.222 72 V HN -0.040 nan 8.190 nan 0.000 0.478 73 L N -0.194 120.985 121.223 -0.073 0.000 2.319 73 L HA 0.582 4.953 4.340 0.051 0.000 0.267 73 L C -0.080 176.779 176.870 -0.017 0.000 1.011 73 L CA -1.164 53.656 54.840 -0.035 0.000 0.818 73 L CB 2.445 44.485 42.059 -0.031 0.000 1.316 73 L HN -0.063 nan 8.230 nan 0.000 0.432 74 V N 3.797 123.722 119.914 0.018 0.000 2.302 74 V HA 0.031 4.181 4.120 0.051 0.000 0.244 74 V C 1.258 177.379 176.094 0.046 0.000 1.160 74 V CA 0.076 62.391 62.300 0.026 0.000 1.127 74 V CB -0.106 31.757 31.823 0.066 0.000 1.253 74 V HN 0.613 nan 8.190 nan 0.000 0.496 75 L N 2.746 123.954 121.223 -0.026 0.000 2.551 75 L HA 0.160 4.531 4.340 0.051 0.000 0.228 75 L C 0.699 177.481 176.870 -0.147 0.000 1.153 75 L CA 0.958 55.773 54.840 -0.040 0.000 0.851 75 L CB -0.094 41.908 42.059 -0.094 0.000 0.959 75 L HN 0.651 nan 8.230 nan 0.000 0.451 76 E N -1.039 119.006 120.200 -0.260 0.000 2.331 76 E HA 0.657 5.037 4.350 0.051 0.000 0.275 76 E C -0.410 175.809 176.600 -0.635 0.000 0.895 76 E CA -0.487 55.605 56.400 -0.514 0.000 0.753 76 E CB 2.434 31.946 29.700 -0.313 0.000 1.216 76 E HN 0.039 nan 8.360 nan 0.000 0.434 77 G N 0.456 108.592 108.800 -1.107 0.000 2.428 77 G HA2 0.423 4.413 3.960 0.051 0.000 0.304 77 G HA3 0.423 4.413 3.960 0.051 0.000 0.304 77 G C -1.412 173.310 174.900 -0.296 0.000 1.303 77 G CA -0.439 44.334 45.100 -0.544 0.000 0.825 77 G HN 0.345 nan 8.290 nan 0.000 0.484 78 T N -0.827 113.778 114.554 0.085 0.000 2.912 78 T HA 0.731 5.111 4.350 0.051 0.000 0.288 78 T C -1.507 173.355 174.700 0.270 0.000 1.030 78 T CA -0.363 61.844 62.100 0.178 0.000 1.020 78 T CB 1.428 70.346 68.868 0.083 0.000 1.056 78 T HN 1.103 nan 8.240 nan 0.000 0.480 79 L N 2.574 123.949 121.223 0.253 0.000 2.465 79 L HA 0.906 5.276 4.340 0.051 0.000 0.257 79 L C -1.591 175.406 176.870 0.212 0.000 0.988 79 L CA -0.529 54.426 54.840 0.191 0.000 0.827 79 L CB 1.920 44.055 42.059 0.127 0.000 1.397 79 L HN 0.780 nan 8.230 nan 0.000 0.410 80 A N 2.379 125.294 122.820 0.159 0.000 2.343 80 A HA 0.973 5.324 4.320 0.051 0.000 0.308 80 A C -0.172 177.496 177.584 0.140 0.000 1.092 80 A CA 0.169 52.318 52.037 0.187 0.000 0.751 80 A CB 1.349 20.417 19.000 0.114 0.000 1.203 80 A HN 1.084 nan 8.150 nan 0.000 0.452 81 R N 0.808 121.427 120.500 0.199 0.000 1.961 81 R HA 0.736 5.106 4.340 0.051 0.000 0.114 81 R C 2.083 178.433 176.300 0.083 0.000 1.571 81 R CA 1.282 57.421 56.100 0.065 0.000 1.654 81 R CB -1.170 29.076 30.300 -0.090 0.000 1.262 81 R HN 1.954 nan 8.270 nan 0.000 0.547 82 M N -0.514 119.131 119.600 0.075 0.000 2.419 82 M HA 0.223 4.733 4.480 0.051 0.000 0.260 82 M C 1.617 177.965 176.300 0.081 0.000 1.073 82 M CA 2.507 57.847 55.300 0.066 0.000 1.056 82 M CB -1.189 31.448 32.600 0.062 0.000 1.394 82 M HN 2.195 nan 8.290 nan 0.000 0.444 83 G N -1.851 107.022 108.800 0.123 0.000 2.885 83 G HA2 0.630 4.620 3.960 0.051 0.000 0.233 83 G HA3 0.630 4.620 3.960 0.051 0.000 0.233 83 G C -0.717 174.234 174.900 0.085 0.000 2.964 83 G CA 0.625 45.780 45.100 0.091 0.000 0.824 83 G HN 2.093 nan 8.290 nan 0.000 0.441 84 Q N -1.433 118.443 119.800 0.127 0.000 2.386 84 Q HA 0.977 5.348 4.340 0.051 0.000 0.274 84 Q C -0.147 175.816 176.000 -0.062 0.000 1.011 84 Q CA 0.226 56.000 55.803 -0.049 0.000 0.867 84 Q CB 0.535 29.119 28.738 -0.257 0.000 1.409 84 Q HN 2.013 nan 8.270 nan 0.000 0.395 85 T N 1.592 116.062 114.554 -0.141 0.000 2.738 85 T HA 0.579 4.959 4.350 0.051 0.000 0.293 85 T C -0.497 174.099 174.700 -0.172 0.000 0.913 85 T CA 0.224 62.288 62.100 -0.059 0.000 1.103 85 T CB -0.547 68.298 68.868 -0.037 0.000 0.880 85 T HN 0.505 nan 8.240 nan 0.000 0.526 86 Y N 2.597 122.930 120.300 0.055 0.000 2.478 86 Y HA 0.500 5.080 4.550 0.051 0.000 0.329 86 Y C 0.695 176.665 175.900 0.117 0.000 0.967 86 Y CA -1.259 56.884 58.100 0.071 0.000 1.255 86 Y CB 0.958 39.455 38.460 0.062 0.000 1.103 86 Y HN 0.844 nan 8.280 nan 0.000 0.497 87 A N 4.578 127.507 122.820 0.182 0.000 2.492 87 A HA 0.362 4.713 4.320 0.051 0.000 0.254 87 A C -0.763 176.948 177.584 0.211 0.000 1.091 87 A CA -0.025 52.094 52.037 0.136 0.000 0.768 87 A CB -0.511 18.519 19.000 0.050 0.000 1.028 87 A HN 0.759 nan 8.150 nan 0.000 0.498 88 Y N 0.567 120.906 120.300 0.064 0.000 2.602 88 Y HA 0.853 5.433 4.550 0.051 0.000 0.342 88 Y C -0.381 175.534 175.900 0.024 0.000 1.029 88 Y CA -1.521 56.612 58.100 0.055 0.000 1.080 88 Y CB 1.504 39.990 38.460 0.043 0.000 1.284 88 Y HN 0.728 nan 8.280 nan 0.000 0.485 89 R N 3.209 123.793 120.500 0.139 0.000 2.542 89 R HA 0.381 4.751 4.340 0.051 0.000 0.284 89 R C -2.207 174.128 176.300 0.058 0.000 1.167 89 R CA -0.614 55.455 56.100 -0.052 0.000 1.000 89 R CB 1.172 31.377 30.300 -0.159 0.000 1.229 89 R HN 0.820 nan 8.270 nan 0.000 0.416 90 L N 4.894 126.140 121.223 0.038 0.000 2.331 90 L HA 0.323 4.694 4.340 0.051 0.000 0.278 90 L C -0.598 176.216 176.870 -0.093 0.000 1.106 90 L CA 0.035 54.918 54.840 0.071 0.000 0.824 90 L CB 0.474 42.592 42.059 0.098 0.000 1.142 90 L HN 0.653 nan 8.230 nan 0.000 0.443 91 Y N 3.717 124.054 120.300 0.061 0.000 2.352 91 Y HA 0.380 4.960 4.550 0.051 0.000 0.339 91 Y C -1.900 174.036 175.900 0.059 0.000 0.992 91 Y CA -2.239 55.892 58.100 0.050 0.000 1.100 91 Y CB 1.687 40.172 38.460 0.042 0.000 1.192 91 Y HN 0.473 nan 8.280 nan 0.000 0.458 92 P HA 0.238 nan 4.420 nan 0.000 0.279 92 P C -1.057 176.343 177.300 0.167 0.000 1.239 92 P CA -0.697 62.503 63.100 0.167 0.000 0.789 92 P CB 0.633 32.420 31.700 0.145 0.000 0.933 93 K N 1.680 122.171 120.400 0.151 0.000 3.350 93 K HA 0.535 4.886 4.320 0.051 0.000 0.167 93 K C 0.320 176.980 176.600 0.101 0.000 1.058 93 K CA -0.675 55.680 56.287 0.113 0.000 0.783 93 K CB -0.042 32.511 32.500 0.088 0.000 0.872 93 K HN 0.685 nan 8.250 nan 0.000 0.561 94 G N 1.958 110.831 108.800 0.122 0.000 2.698 94 G HA2 -0.297 3.693 3.960 0.051 0.000 0.233 94 G HA3 -0.297 3.693 3.960 0.051 0.000 0.233 94 G C -1.096 173.836 174.900 0.053 0.000 1.352 94 G CA -0.703 44.444 45.100 0.078 0.000 0.879 94 G HN 0.485 nan 8.290 nan 0.000 0.567 95 R N -0.087 120.377 120.500 -0.059 0.000 2.670 95 R HA 0.712 5.082 4.340 0.051 0.000 0.289 95 R C -0.211 176.042 176.300 -0.078 0.000 0.965 95 R CA -0.944 55.081 56.100 -0.126 0.000 0.899 95 R CB 1.858 31.925 30.300 -0.389 0.000 1.173 95 R HN 0.563 nan 8.270 nan 0.000 0.456 96 R N 2.393 122.867 120.500 -0.044 0.000 2.473 96 R HA 0.329 4.699 4.340 0.051 0.000 0.303 96 R C -2.724 173.566 176.300 -0.017 0.000 1.002 96 R CA -2.199 53.886 56.100 -0.025 0.000 0.884 96 R CB 1.809 32.108 30.300 -0.002 0.000 1.173 96 R HN 0.355 nan 8.270 nan 0.000 0.464 97 P HA 0.056 nan 4.420 nan 0.000 0.269 97 P C -0.658 176.646 177.300 0.008 0.000 1.211 97 P CA -0.176 62.920 63.100 -0.008 0.000 0.781 97 P CB 0.535 32.224 31.700 -0.017 0.000 0.877 98 L N 1.653 122.890 121.223 0.022 0.000 2.333 98 L HA 0.547 4.917 4.340 0.051 0.000 0.263 98 L C -0.328 176.554 176.870 0.021 0.000 1.014 98 L CA -0.233 54.620 54.840 0.023 0.000 0.820 98 L CB 1.828 43.906 42.059 0.032 0.000 1.352 98 L HN 0.238 nan 8.230 nan 0.000 0.421 99 D N 1.126 121.536 120.400 0.016 0.000 2.502 99 D HA 0.472 5.142 4.640 0.051 0.000 0.249 99 D C -1.884 174.426 176.300 0.017 0.000 1.092 99 D CA -1.646 52.362 54.000 0.013 0.000 0.839 99 D CB 2.539 43.344 40.800 0.007 0.000 1.264 99 D HN 0.172 nan 8.370 nan 0.000 0.511 100 P HA -0.166 nan 4.420 nan 0.000 0.220 100 P C 0.897 178.212 177.300 0.025 0.000 1.148 100 P CA 0.817 63.933 63.100 0.026 0.000 0.803 100 P CB 0.416 32.128 31.700 0.019 0.000 0.782 101 K N 0.069 120.479 120.400 0.017 0.000 2.097 101 K HA -0.083 4.267 4.320 0.051 0.000 0.205 101 K C 0.883 177.491 176.600 0.013 0.000 1.050 101 K CA 0.768 57.064 56.287 0.015 0.000 0.938 101 K CB -1.030 31.476 32.500 0.010 0.000 0.718 101 K HN 0.192 nan 8.250 nan 0.000 0.442 102 D N 1.788 122.194 120.400 0.011 0.000 2.402 102 D HA 0.064 4.734 4.640 0.051 0.000 0.235 102 D C -1.931 174.374 176.300 0.008 0.000 1.226 102 D CA -2.321 51.684 54.000 0.008 0.000 0.918 102 D CB 1.243 42.046 40.800 0.006 0.000 1.043 102 D HN -0.148 nan 8.370 nan 0.000 0.506 103 P HA -0.108 nan 4.420 nan 0.000 0.217 103 P C 1.362 178.661 177.300 -0.002 0.000 1.148 103 P CA 1.205 64.307 63.100 0.003 0.000 0.828 103 P CB 0.194 31.893 31.700 -0.002 0.000 0.783 104 G N -0.166 108.632 108.800 -0.004 0.000 2.440 104 G HA2 -0.255 3.735 3.960 0.051 0.000 0.218 104 G HA3 -0.255 3.735 3.960 0.051 0.000 0.218 104 G C 1.465 176.361 174.900 -0.006 0.000 1.154 104 G CA 0.740 45.836 45.100 -0.008 0.000 0.767 104 G HN 0.300 nan 8.290 nan 0.000 0.552 105 E N -0.370 119.830 120.200 -0.001 0.000 2.060 105 E HA 0.006 4.387 4.350 0.051 0.000 0.189 105 E C 2.478 179.080 176.600 0.004 0.000 0.974 105 E CA 0.217 56.617 56.400 0.000 0.000 0.808 105 E CB -0.111 29.592 29.700 0.005 0.000 0.768 105 E HN 0.348 nan 8.360 nan 0.000 0.453 106 R N 1.219 121.728 120.500 0.015 0.000 2.170 106 R HA -0.211 4.159 4.340 0.051 0.000 0.242 106 R C 2.383 178.699 176.300 0.027 0.000 1.145 106 R CA 1.711 57.829 56.100 0.030 0.000 0.984 106 R CB -0.347 29.977 30.300 0.040 0.000 0.869 106 R HN 0.187 nan 8.270 nan 0.000 0.455 107 S N 0.128 115.831 115.700 0.005 0.000 2.359 107 S HA -0.118 4.382 4.470 0.051 0.000 0.224 107 S C 1.987 176.579 174.600 -0.014 0.000 1.035 107 S CA 1.836 60.032 58.200 -0.007 0.000 1.018 107 S CB -0.422 62.766 63.200 -0.020 0.000 0.876 107 S HN 0.153 nan 8.310 nan 0.000 0.448 108 V N 1.691 121.588 119.914 -0.029 0.000 2.270 108 V HA -0.152 3.998 4.120 0.051 0.000 0.245 108 V C 2.440 178.468 176.094 -0.111 0.000 1.043 108 V CA 1.468 63.728 62.300 -0.066 0.000 1.014 108 V CB -0.870 30.912 31.823 -0.069 0.000 0.645 108 V HN 0.628 nan 8.190 nan 0.000 0.447 109 L N 0.219 121.396 121.223 -0.076 0.000 2.051 109 L HA -0.241 4.129 4.340 0.051 0.000 0.214 109 L C 2.598 179.466 176.870 -0.005 0.000 1.076 109 L CA 1.957 56.754 54.840 -0.072 0.000 0.758 109 L CB -0.831 41.264 42.059 0.060 0.000 0.890 109 L HN 0.328 nan 8.230 nan 0.000 0.433 110 S N -0.404 115.341 115.700 0.074 0.000 2.399 110 S HA -0.117 4.384 4.470 0.051 0.000 0.231 110 S C 2.124 176.790 174.600 0.111 0.000 1.022 110 S CA 1.068 59.373 58.200 0.176 0.000 0.983 110 S CB -0.192 63.124 63.200 0.193 0.000 0.803 110 S HN 0.518 nan 8.310 nan 0.000 0.480 111 A N 1.637 124.459 122.820 0.003 0.000 1.854 111 A HA 0.084 4.435 4.320 0.051 0.000 0.214 111 A C 2.075 179.611 177.584 -0.081 0.000 1.192 111 A CA 0.924 52.944 52.037 -0.029 0.000 0.611 111 A CB -0.799 18.167 19.000 -0.056 0.000 0.832 111 A HN 0.413 nan 8.150 nan 0.000 0.442 112 L N -0.356 120.717 121.223 -0.249 0.000 2.051 112 L HA -0.294 4.076 4.340 0.051 0.000 0.214 112 L C 3.082 179.870 176.870 -0.136 0.000 1.076 112 L CA 1.375 55.948 54.840 -0.445 0.000 0.758 112 L CB -0.579 40.686 42.059 -1.323 0.000 0.890 112 L HN 0.453 nan 8.230 nan 0.000 0.433 113 A N 0.228 123.075 122.820 0.045 0.000 1.908 113 A HA -0.251 4.099 4.320 0.051 0.000 0.218 113 A C 2.690 180.406 177.584 0.220 0.000 1.181 113 A CA 2.380 54.654 52.037 0.395 0.000 0.627 113 A CB -0.823 18.517 19.000 0.567 0.000 0.818 113 A HN 0.415 nan 8.150 nan 0.000 0.445 114 R N -0.371 120.218 120.500 0.149 0.000 2.115 114 R HA -0.049 4.322 4.340 0.051 0.000 0.230 114 R C 2.218 178.561 176.300 0.072 0.000 1.111 114 R CA 1.970 58.136 56.100 0.109 0.000 0.976 114 R CB -0.855 29.502 30.300 0.095 0.000 0.870 114 R HN 0.551 nan 8.270 nan 0.000 0.445 115 R N 0.453 120.990 120.500 0.061 0.000 2.062 115 R HA 0.113 4.484 4.340 0.051 0.000 0.229 115 R C 2.260 178.610 176.300 0.083 0.000 1.128 115 R CA 1.209 57.340 56.100 0.051 0.000 0.960 115 R CB -0.727 29.589 30.300 0.026 0.000 0.855 115 R HN 0.399 nan 8.270 nan 0.000 0.432 116 L N 0.540 121.854 121.223 0.153 0.000 2.021 116 L HA -0.234 4.136 4.340 0.051 0.000 0.215 116 L C 1.928 178.835 176.870 0.062 0.000 1.074 116 L CA 1.943 56.884 54.840 0.168 0.000 0.760 116 L CB -0.858 41.382 42.059 0.301 0.000 0.889 116 L HN 0.358 nan 8.230 nan 0.000 0.433 117 L N 0.400 121.647 121.223 0.040 0.000 1.971 117 L HA -0.286 4.085 4.340 0.051 0.000 0.215 117 L C 2.686 179.559 176.870 0.005 0.000 1.072 117 L CA 2.033 56.871 54.840 -0.004 0.000 0.758 117 L CB -0.855 41.206 42.059 0.005 0.000 0.889 117 L HN 0.383 nan 8.230 nan 0.000 0.433 118 Q N -0.901 118.908 119.800 0.014 0.000 1.975 118 Q HA -0.220 4.150 4.340 0.051 0.000 0.205 118 Q C 2.045 178.051 176.000 0.010 0.000 0.990 118 Q CA 1.721 57.526 55.803 0.004 0.000 0.845 118 Q CB -0.435 28.303 28.738 -0.001 0.000 0.913 118 Q HN 0.475 nan 8.270 nan 0.000 0.420 119 E N 1.000 121.212 120.200 0.021 0.000 2.065 119 E HA -0.217 4.164 4.350 0.051 0.000 0.201 119 E C 1.984 178.595 176.600 0.019 0.000 1.016 119 E CA 1.370 57.785 56.400 0.024 0.000 0.818 119 E CB -0.288 29.436 29.700 0.040 0.000 0.749 119 E HN 0.329 nan 8.360 nan 0.000 0.453 120 R N 0.144 120.651 120.500 0.012 0.000 2.081 120 R HA -0.058 4.312 4.340 0.051 0.000 0.235 120 R C 2.715 179.016 176.300 0.003 0.000 1.131 120 R CA 0.902 56.998 56.100 -0.005 0.000 0.960 120 R CB -0.467 29.813 30.300 -0.033 0.000 0.856 120 R HN 0.193 nan 8.270 nan 0.000 0.436 121 L N 0.305 121.537 121.223 0.014 0.000 2.083 121 L HA -0.151 4.219 4.340 0.051 0.000 0.209 121 L C 2.788 179.685 176.870 0.045 0.000 1.083 121 L CA 1.077 55.942 54.840 0.043 0.000 0.752 121 L CB -0.426 41.654 42.059 0.036 0.000 0.899 121 L HN 0.179 nan 8.230 nan 0.000 0.433 122 R N 1.274 121.789 120.500 0.026 0.000 2.170 122 R HA -0.181 4.190 4.340 0.051 0.000 0.242 122 R C 1.809 178.135 176.300 0.043 0.000 1.145 122 R CA 1.594 57.711 56.100 0.028 0.000 0.984 122 R CB 0.010 30.322 30.300 0.019 0.000 0.869 122 R HN 0.489 nan 8.270 nan 0.000 0.455 123 R N -0.318 120.205 120.500 0.039 0.000 2.472 123 R HA 0.221 4.591 4.340 0.051 0.000 0.279 123 R C 0.044 176.372 176.300 0.045 0.000 0.953 123 R CA -0.267 55.856 56.100 0.038 0.000 1.088 123 R CB 0.140 30.454 30.300 0.023 0.000 1.197 123 R HN 0.055 nan 8.270 nan 0.000 0.536 124 L N 3.332 124.593 121.223 0.064 0.000 2.515 124 L HA 0.184 4.555 4.340 0.051 0.000 0.281 124 L C 0.664 177.599 176.870 0.108 0.000 1.131 124 L CA 0.117 55.010 54.840 0.088 0.000 0.905 124 L CB 0.057 42.204 42.059 0.147 0.000 1.246 124 L HN 0.380 nan 8.230 nan 0.000 0.463 125 E N 2.526 122.777 120.200 0.085 0.000 2.452 125 E HA 0.334 4.714 4.350 0.051 0.000 0.261 125 E C 1.222 177.888 176.600 0.110 0.000 0.987 125 E CA 0.306 56.758 56.400 0.086 0.000 0.926 125 E CB 0.460 30.197 29.700 0.062 0.000 0.934 125 E HN 0.932 nan 8.360 nan 0.000 0.452 126 G N -0.151 108.714 108.800 0.110 0.000 2.142 126 G HA2 0.028 4.018 3.960 0.051 0.000 0.225 126 G HA3 0.028 4.018 3.960 0.051 0.000 0.225 126 G C 0.071 175.054 174.900 0.139 0.000 1.015 126 G CA 0.075 45.242 45.100 0.112 0.000 0.716 126 G HN 1.497 nan 8.290 nan 0.000 0.508 127 V N -0.531 119.484 119.914 0.168 0.000 2.752 127 V HA 0.611 4.761 4.120 0.051 0.000 0.302 127 V C -0.890 175.366 176.094 0.271 0.000 1.133 127 V CA -1.001 61.420 62.300 0.201 0.000 0.919 127 V CB 1.976 33.916 31.823 0.194 0.000 1.026 127 V HN 0.446 nan 8.190 nan 0.000 0.429 128 W N 5.774 127.142 121.300 0.114 0.000 2.335 128 W HA 0.668 5.358 4.660 0.050 0.000 0.307 128 W C -0.554 176.083 176.519 0.197 0.000 1.117 128 W CA -0.739 56.678 57.345 0.121 0.000 1.228 128 W CB 1.570 31.072 29.460 0.069 0.000 1.240 128 W HN 0.326 nan 8.180 nan 0.000 0.468 129 V N 6.075 125.775 119.914 -0.356 0.000 2.220 129 V HA 0.236 4.387 4.120 0.051 0.000 0.265 129 V C 0.478 176.215 176.094 -0.596 0.000 1.078 129 V CA -0.336 61.758 62.300 -0.343 0.000 0.872 129 V CB -0.005 31.734 31.823 -0.140 0.000 1.121 129 V HN 0.571 nan 8.190 nan 0.000 0.460 130 E N 3.076 122.779 120.200 -0.828 0.000 1.852 130 E HA 0.540 4.920 4.350 0.051 0.000 0.276 130 E C 1.137 177.576 176.600 -0.268 0.000 1.163 130 E CA 0.586 56.569 56.400 -0.695 0.000 1.117 130 E CB 0.170 29.316 29.700 -0.924 0.000 1.124 130 E HN 1.413 nan 8.360 nan 0.000 0.458 131 G N -0.640 108.045 108.800 -0.192 0.000 2.603 131 G HA2 0.054 4.044 3.960 0.051 0.000 0.245 131 G HA3 0.054 4.044 3.960 0.051 0.000 0.245 131 G C 1.373 176.224 174.900 -0.081 0.000 1.195 131 G CA 0.938 45.978 45.100 -0.100 0.000 0.953 131 G HN 1.810 nan 8.290 nan 0.000 0.566 132 L N -0.030 121.162 121.223 -0.052 0.000 2.629 132 L HA 0.849 5.220 4.340 0.051 0.000 0.230 132 L C 1.405 178.239 176.870 -0.060 0.000 1.151 132 L CA 1.606 56.425 54.840 -0.036 0.000 0.924 132 L CB -1.171 40.887 42.059 -0.002 0.000 1.137 132 L HN 2.392 nan 8.230 nan 0.000 0.457 133 A N -0.797 121.964 122.820 -0.099 0.000 2.340 133 A HA 0.823 5.173 4.320 0.051 0.000 0.331 133 A C -0.602 176.830 177.584 -0.253 0.000 1.140 133 A CA -0.616 51.313 52.037 -0.179 0.000 0.801 133 A CB 1.766 20.672 19.000 -0.157 0.000 1.234 133 A HN 0.549 nan 8.150 nan 0.000 0.469 134 V N 1.664 121.328 119.914 -0.416 0.000 2.789 134 V HA 0.497 4.647 4.120 0.051 0.000 0.311 134 V C -1.644 174.136 176.094 -0.523 0.000 1.073 134 V CA -0.396 61.723 62.300 -0.302 0.000 0.921 134 V CB 1.793 33.541 31.823 -0.125 0.000 1.009 134 V HN 0.792 nan 8.190 nan 0.000 0.426 135 Y N 2.725 123.035 120.300 0.017 0.000 2.376 135 Y HA 0.752 5.332 4.550 0.050 0.000 0.340 135 Y C 0.706 176.607 175.900 0.002 0.000 0.965 135 Y CA -0.687 57.443 58.100 0.051 0.000 1.078 135 Y CB 1.851 40.436 38.460 0.210 0.000 1.193 135 Y HN 0.598 nan 8.280 nan 0.000 0.452 136 R N 0.160 120.674 120.500 0.024 0.000 2.527 136 R HA 0.669 5.039 4.340 0.051 0.000 0.402 136 R C 0.076 176.331 176.300 -0.075 0.000 0.933 136 R CA 0.293 56.331 56.100 -0.103 0.000 1.171 136 R CB -0.047 30.002 30.300 -0.419 0.000 1.612 136 R HN 0.839 nan 8.270 nan 0.000 0.546 137 R N -0.126 120.385 120.500 0.018 0.000 2.548 137 R HA 0.762 5.133 4.340 0.051 0.000 0.280 137 R C -0.377 175.989 176.300 0.110 0.000 1.061 137 R CA 0.046 56.169 56.100 0.039 0.000 0.915 137 R CB -0.141 30.172 30.300 0.021 0.000 1.210 137 R HN 1.148 nan 8.270 nan 0.000 0.442 138 E N 0.818 121.068 120.200 0.083 0.000 2.344 138 E HA 0.239 4.619 4.350 0.051 0.000 0.270 138 E C 0.173 176.844 176.600 0.119 0.000 1.021 138 E CA 0.194 56.651 56.400 0.094 0.000 0.887 138 E CB 0.549 30.275 29.700 0.043 0.000 0.997 138 E HN 0.805 nan 8.360 nan 0.000 0.429 139 H N 0.505 119.608 119.070 0.055 0.000 2.545 139 H HA 0.562 5.148 4.556 0.051 0.000 0.283 139 H C 0.352 175.677 175.328 -0.006 0.000 0.997 139 H CA 1.446 57.520 56.048 0.043 0.000 1.269 139 H CB 0.999 30.803 29.762 0.071 0.000 1.451 139 H HN 0.854 nan 8.280 nan 0.000 0.508 140 A N 0.382 123.269 122.820 0.112 0.000 2.566 140 A HA 0.666 5.016 4.320 0.051 0.000 0.290 140 A C -1.017 176.579 177.584 0.020 0.000 1.071 140 A CA -0.810 51.253 52.037 0.043 0.000 0.658 140 A CB 1.743 20.784 19.000 0.068 0.000 1.285 140 A HN 0.219 nan 8.150 nan 0.000 0.427 141 R N -0.781 119.720 120.500 0.000 0.000 2.831 141 R HA 0.800 5.170 4.340 0.051 0.000 0.266 141 R C 0.103 176.394 176.300 -0.013 0.000 1.051 141 R CA -0.395 55.699 56.100 -0.010 0.000 0.943 141 R CB 1.862 32.153 30.300 -0.015 0.000 1.228 141 R HN 1.360 nan 8.270 nan 0.000 0.467 142 G N -0.737 108.052 108.800 -0.018 0.000 2.933 142 G HA2 0.521 4.512 3.960 0.051 0.000 0.203 142 G HA3 0.521 4.512 3.960 0.051 0.000 0.203 142 G C -2.426 172.463 174.900 -0.018 0.000 1.170 142 G CA -0.187 44.904 45.100 -0.017 0.000 0.880 142 G HN 0.540 nan 8.290 nan 0.000 0.573 143 P HA 0.541 nan 4.420 nan 0.000 0.214 143 P C 0.702 177.989 177.300 -0.021 0.000 1.826 143 P CA 1.489 64.579 63.100 -0.017 0.000 0.977 143 P CB -0.604 31.088 31.700 -0.013 0.000 1.930 144 G N -2.100 106.684 108.800 -0.026 0.000 2.194 144 G HA2 -0.069 3.922 3.960 0.051 0.000 0.236 144 G HA3 -0.069 3.922 3.960 0.051 0.000 0.236 144 G C 0.342 175.216 174.900 -0.043 0.000 0.987 144 G CA 0.256 45.336 45.100 -0.034 0.000 0.635 144 G HN 1.099 nan 8.290 nan 0.000 0.520 145 W N 2.797 124.074 121.300 -0.038 0.000 2.295 145 W HA 0.796 5.487 4.660 0.051 0.000 0.333 145 W C 0.473 176.966 176.519 -0.043 0.000 0.990 145 W CA -0.585 56.734 57.345 -0.042 0.000 1.453 145 W CB -0.271 29.170 29.460 -0.032 0.000 1.263 145 W HN 0.718 nan 8.180 nan 0.000 0.380 146 R N 1.887 122.351 120.500 -0.060 0.000 2.474 146 R HA 0.803 5.174 4.340 0.051 0.000 0.295 146 R C -1.082 175.187 176.300 -0.052 0.000 0.980 146 R CA -0.653 55.415 56.100 -0.053 0.000 0.934 146 R CB 1.840 32.099 30.300 -0.068 0.000 1.101 146 R HN 0.277 nan 8.270 nan 0.000 0.469 147 V N 4.824 124.730 119.914 -0.014 0.000 2.378 147 V HA 0.289 4.439 4.120 0.051 0.000 0.288 147 V C -0.153 175.992 176.094 0.084 0.000 1.016 147 V CA -0.740 61.566 62.300 0.010 0.000 0.840 147 V CB 1.358 33.175 31.823 -0.009 0.000 0.994 147 V HN 0.629 nan 8.190 nan 0.000 0.431 148 L N 4.212 125.492 121.223 0.096 0.000 2.312 148 L HA 0.690 5.061 4.340 0.051 0.000 0.281 148 L C 0.974 178.082 176.870 0.397 0.000 1.070 148 L CA -0.067 54.889 54.840 0.194 0.000 0.805 148 L CB 1.509 43.632 42.059 0.106 0.000 1.174 148 L HN 0.738 nan 8.230 nan 0.000 0.434 149 G N 0.675 109.703 108.800 0.380 0.000 2.488 149 G HA2 0.737 4.727 3.960 0.051 0.000 0.318 149 G HA3 0.737 4.727 3.960 0.051 0.000 0.318 149 G C -0.192 174.819 174.900 0.185 0.000 1.188 149 G CA 0.208 45.497 45.100 0.316 0.000 0.944 149 G HN 0.900 nan 8.290 nan 0.000 0.495 150 G N -1.541 107.222 108.800 -0.061 0.000 2.441 150 G HA2 0.647 4.638 3.960 0.051 0.000 0.222 150 G HA3 0.647 4.638 3.960 0.051 0.000 0.222 150 G C -1.057 173.646 174.900 -0.327 0.000 1.254 150 G CA 0.423 45.378 45.100 -0.243 0.000 0.959 150 G HN 2.137 nan 8.290 nan 0.000 0.474 151 A N -1.727 120.830 122.820 -0.438 0.000 2.599 151 A HA 0.737 5.087 4.320 0.051 0.000 0.294 151 A C -1.327 176.078 177.584 -0.297 0.000 1.055 151 A CA -0.025 51.836 52.037 -0.294 0.000 0.683 151 A CB 1.322 20.213 19.000 -0.182 0.000 1.278 151 A HN 1.772 nan 8.150 nan 0.000 0.412 152 V N 1.671 121.483 119.914 -0.170 0.000 2.472 152 V HA 0.725 4.875 4.120 0.051 0.000 0.290 152 V C -0.431 175.642 176.094 -0.035 0.000 1.037 152 V CA -0.194 62.041 62.300 -0.109 0.000 0.908 152 V CB 0.865 32.656 31.823 -0.053 0.000 0.985 152 V HN 1.013 nan 8.190 nan 0.000 0.454 153 L N 1.993 123.207 121.223 -0.015 0.000 2.469 153 L HA 0.864 5.234 4.340 0.051 0.000 0.256 153 L C -1.025 175.890 176.870 0.074 0.000 1.006 153 L CA -0.570 54.292 54.840 0.037 0.000 0.832 153 L CB 2.039 44.107 42.059 0.015 0.000 1.421 153 L HN 0.417 nan 8.230 nan 0.000 0.410 154 D N 0.931 121.413 120.400 0.137 0.000 2.732 154 D HA 0.575 5.245 4.640 0.051 0.000 0.229 154 D C -1.942 174.473 176.300 0.193 0.000 1.152 154 D CA -0.247 53.882 54.000 0.215 0.000 0.854 154 D CB 2.991 44.002 40.800 0.351 0.000 1.590 154 D HN 0.613 nan 8.370 nan 0.000 0.468 155 L N 4.541 125.884 121.223 0.201 0.000 2.406 155 L HA 0.585 4.955 4.340 0.051 0.000 0.272 155 L C -1.577 175.475 176.870 0.304 0.000 0.980 155 L CA -0.507 54.390 54.840 0.095 0.000 0.831 155 L CB 1.233 43.296 42.059 0.006 0.000 1.253 155 L HN 0.627 nan 8.230 nan 0.000 0.406 156 W N 4.750 126.169 121.300 0.198 0.000 3.040 156 W HA 0.738 5.429 4.660 0.051 0.000 0.344 156 W C -1.797 174.878 176.519 0.261 0.000 1.201 156 W CA -1.047 56.419 57.345 0.202 0.000 1.119 156 W CB 0.568 30.095 29.460 0.112 0.000 1.478 156 W HN 0.128 nan 8.180 nan 0.000 0.586 157 V N 2.777 122.953 119.914 0.437 0.000 2.439 157 V HA 0.629 4.779 4.120 0.051 0.000 0.282 157 V C 0.922 177.185 176.094 0.282 0.000 1.039 157 V CA 0.137 62.566 62.300 0.214 0.000 0.913 157 V CB 0.112 32.004 31.823 0.115 0.000 0.983 157 V HN 0.960 nan 8.190 nan 0.000 0.460 158 S N 2.189 117.973 115.700 0.140 0.000 2.625 158 S HA 0.233 4.733 4.470 0.051 0.000 0.262 158 S C 0.827 175.487 174.600 0.099 0.000 1.223 158 S CA -0.104 58.188 58.200 0.152 0.000 0.993 158 S CB 0.114 63.365 63.200 0.084 0.000 1.051 158 S HN 0.781 nan 8.310 nan 0.000 0.562 159 D N 0.160 120.609 120.400 0.081 0.000 2.346 159 D HA 0.026 4.696 4.640 0.051 0.000 0.206 159 D C 1.496 177.814 176.300 0.030 0.000 1.001 159 D CA 1.314 55.346 54.000 0.053 0.000 0.871 159 D CB -0.121 40.711 40.800 0.052 0.000 0.943 159 D HN 0.486 nan 8.370 nan 0.000 0.518 160 S N -0.105 115.610 115.700 0.024 0.000 2.679 160 S HA 0.356 4.856 4.470 0.051 0.000 0.233 160 S C 1.503 176.095 174.600 -0.013 0.000 0.951 160 S CA 0.084 58.288 58.200 0.007 0.000 0.973 160 S CB -0.120 63.086 63.200 0.010 0.000 0.778 160 S HN 0.248 nan 8.310 nan 0.000 0.477 161 G N 0.445 109.232 108.800 -0.020 0.000 2.273 161 G HA2 -0.021 3.969 3.960 0.051 0.000 0.280 161 G HA3 -0.021 3.969 3.960 0.051 0.000 0.280 161 G C 0.184 175.013 174.900 -0.118 0.000 1.047 161 G CA 0.111 45.176 45.100 -0.059 0.000 0.869 161 G HN 1.245 nan 8.290 nan 0.000 0.502 162 A N -1.000 121.756 122.820 -0.106 0.000 2.344 162 A HA 0.927 5.277 4.320 0.051 0.000 0.307 162 A C -0.434 177.056 177.584 -0.156 0.000 1.151 162 A CA -0.902 51.063 52.037 -0.121 0.000 0.842 162 A CB 1.219 20.201 19.000 -0.030 0.000 1.350 162 A HN 0.552 nan 8.150 nan 0.000 0.459 163 F N -0.366 119.563 119.950 -0.034 0.000 2.397 163 F HA 0.621 5.179 4.527 0.050 0.000 0.331 163 F C -0.160 175.529 175.800 -0.185 0.000 1.090 163 F CA -0.338 57.616 58.000 -0.077 0.000 1.065 163 F CB 1.621 40.585 39.000 -0.059 0.000 1.184 163 F HN 0.295 nan 8.300 nan 0.000 0.499 164 L N 4.491 125.640 121.223 -0.124 0.000 2.386 164 L HA 0.500 4.870 4.340 0.051 0.000 0.271 164 L C -1.367 175.107 176.870 -0.660 0.000 0.993 164 L CA -0.660 53.861 54.840 -0.532 0.000 0.819 164 L CB 2.191 43.624 42.059 -1.045 0.000 1.294 164 L HN 0.438 nan 8.230 nan 0.000 0.414 165 L N 3.897 124.875 121.223 -0.408 0.000 2.372 165 L HA 0.501 4.872 4.340 0.051 0.000 0.273 165 L C -0.765 176.061 176.870 -0.074 0.000 0.989 165 L CA -0.218 54.489 54.840 -0.222 0.000 0.841 165 L CB 1.842 43.852 42.059 -0.082 0.000 1.225 165 L HN 0.739 nan 8.230 nan 0.000 0.414 166 E N 3.772 123.948 120.200 -0.040 0.000 2.249 166 E HA 0.546 4.926 4.350 0.051 0.000 0.280 166 E C -1.677 175.034 176.600 0.185 0.000 1.016 166 E CA -0.546 55.956 56.400 0.171 0.000 0.830 166 E CB 1.953 31.878 29.700 0.375 0.000 1.081 166 E HN 0.496 nan 8.360 nan 0.000 0.395 167 V N 3.853 123.907 119.914 0.232 0.000 2.760 167 V HA 0.353 4.503 4.120 0.051 0.000 0.309 167 V C -1.208 174.987 176.094 0.168 0.000 1.077 167 V CA -0.719 61.690 62.300 0.181 0.000 0.910 167 V CB 2.212 34.161 31.823 0.211 0.000 1.008 167 V HN 0.777 nan 8.190 nan 0.000 0.424 168 D N 4.703 125.155 120.400 0.086 0.000 2.861 168 D HA 0.447 5.118 4.640 0.051 0.000 0.216 168 D C -2.964 173.329 176.300 -0.012 0.000 1.323 168 D CA -1.220 52.825 54.000 0.075 0.000 0.917 168 D CB 3.128 43.980 40.800 0.087 0.000 1.582 168 D HN 0.172 nan 8.370 nan 0.000 0.576 169 P HA 0.368 nan 4.420 nan 0.000 0.266 169 P C -1.178 176.011 177.300 -0.185 0.000 1.186 169 P CA 0.045 63.062 63.100 -0.138 0.000 0.767 169 P CB 0.783 32.409 31.700 -0.123 0.000 0.820 170 A N 2.061 124.706 122.820 -0.293 0.000 2.602 170 A HA 0.730 5.080 4.320 0.051 0.000 0.290 170 A C -1.848 175.552 177.584 -0.307 0.000 1.114 170 A CA -0.368 51.533 52.037 -0.227 0.000 0.683 170 A CB 0.908 19.864 19.000 -0.073 0.000 1.281 170 A HN 0.360 nan 8.150 nan 0.000 0.416 171 Y N -0.492 119.897 120.300 0.149 0.000 2.598 171 Y HA 0.860 5.440 4.550 0.050 0.000 0.340 171 Y C 0.344 176.391 175.900 0.244 0.000 1.038 171 Y CA -0.679 57.523 58.100 0.169 0.000 1.100 171 Y CB 1.980 40.455 38.460 0.024 0.000 1.281 171 Y HN 0.813 nan 8.280 nan 0.000 0.488 172 R N 0.856 121.564 120.500 0.346 0.000 2.771 172 R HA 0.702 5.072 4.340 0.051 0.000 0.274 172 R C -2.091 174.229 176.300 0.033 0.000 0.987 172 R CA -0.599 55.569 56.100 0.114 0.000 0.908 172 R CB 1.332 31.514 30.300 -0.196 0.000 1.213 172 R HN 0.702 nan 8.270 nan 0.000 0.468 173 I N 4.927 125.495 120.570 -0.003 0.000 2.418 173 I HA 0.419 4.619 4.170 0.051 0.000 0.287 173 I C -0.922 175.146 176.117 -0.081 0.000 1.008 173 I CA -0.626 60.654 61.300 -0.034 0.000 1.104 173 I CB 1.351 39.346 38.000 -0.010 0.000 1.264 173 I HN 0.312 nan 8.210 nan 0.000 0.438 174 L N 6.265 127.417 121.223 -0.119 0.000 2.408 174 L HA 0.609 4.979 4.340 0.051 0.000 0.268 174 L C -0.868 175.928 176.870 -0.124 0.000 0.986 174 L CA -0.546 54.192 54.840 -0.169 0.000 0.820 174 L CB 2.332 44.210 42.059 -0.302 0.000 1.303 174 L HN 0.594 nan 8.230 nan 0.000 0.411 175 C N 1.583 120.819 119.300 -0.107 0.000 2.707 175 C HA 0.492 4.982 4.460 0.051 0.000 0.313 175 C C 1.039 175.982 174.990 -0.079 0.000 1.209 175 C CA -0.207 58.764 59.018 -0.077 0.000 1.635 175 C CB 1.772 29.483 27.740 -0.048 0.000 2.206 175 C HN 1.039 nan 8.230 nan 0.000 0.485 176 E N 2.574 122.736 120.200 -0.063 0.000 2.152 176 E HA 0.189 4.569 4.350 0.051 0.000 0.195 176 E C 1.166 177.744 176.600 -0.036 0.000 0.934 176 E CA 0.689 57.055 56.400 -0.057 0.000 0.869 176 E CB -0.190 29.477 29.700 -0.055 0.000 0.842 176 E HN 0.812 nan 8.360 nan 0.000 0.472 177 M N 1.639 121.222 119.600 -0.028 0.000 2.246 177 M HA 0.093 4.603 4.480 0.051 0.000 0.327 177 M C 0.824 177.117 176.300 -0.011 0.000 1.090 177 M CA 0.369 55.658 55.300 -0.017 0.000 1.087 177 M CB -0.321 32.270 32.600 -0.013 0.000 1.587 177 M HN 0.115 nan 8.290 nan 0.000 0.444 178 S N 1.118 116.816 115.700 -0.004 0.000 2.618 178 S HA 0.633 5.134 4.470 0.051 0.000 0.254 178 S C 1.861 176.466 174.600 0.009 0.000 1.284 178 S CA 0.556 58.759 58.200 0.004 0.000 0.975 178 S CB 0.052 63.256 63.200 0.007 0.000 1.022 178 S HN 2.115 nan 8.310 nan 0.000 0.571 179 L N 0.420 121.653 121.223 0.017 0.000 1.955 179 L HA 0.083 4.454 4.340 0.051 0.000 0.213 179 L C 2.917 179.796 176.870 0.014 0.000 1.072 179 L CA 2.863 57.715 54.840 0.021 0.000 0.755 179 L CB -2.686 39.390 42.059 0.029 0.000 0.888 179 L HN 1.004 nan 8.230 nan 0.000 0.432 180 E N -0.565 119.642 120.200 0.012 0.000 2.274 180 E HA 0.234 4.614 4.350 0.051 0.000 0.194 180 E C 2.313 178.915 176.600 0.004 0.000 0.996 180 E CA 1.614 58.019 56.400 0.008 0.000 0.840 180 E CB -0.823 28.881 29.700 0.006 0.000 0.772 180 E HN 1.254 nan 8.360 nan 0.000 0.491 181 A N -1.003 121.819 122.820 0.003 0.000 2.119 181 A HA 0.264 4.615 4.320 0.051 0.000 0.216 181 A C 2.407 179.990 177.584 -0.002 0.000 1.152 181 A CA 1.544 53.581 52.037 -0.000 0.000 0.708 181 A CB -1.092 17.907 19.000 -0.002 0.000 0.805 181 A HN 1.096 nan 8.150 nan 0.000 0.460 182 W N -0.955 120.346 121.300 0.000 0.000 2.576 182 W HA 0.327 5.017 4.660 0.051 0.000 0.270 182 W C 2.417 178.937 176.519 0.001 0.000 1.255 182 W CA 1.445 58.789 57.345 -0.001 0.000 1.314 182 W CB -0.726 28.734 29.460 0.001 0.000 1.101 182 W HN 0.512 nan 8.180 nan 0.000 0.595 183 L N 0.549 121.774 121.223 0.003 0.000 2.240 183 L HA 0.463 4.834 4.340 0.051 0.000 0.211 183 L C 2.388 179.259 176.870 0.001 0.000 1.106 183 L CA 2.441 57.282 54.840 0.003 0.000 0.793 183 L CB -1.752 40.310 42.059 0.004 0.000 0.927 183 L HN 0.778 nan 8.230 nan 0.000 0.446 184 A N -0.708 122.112 122.820 -0.000 0.000 2.178 184 A HA 0.066 4.417 4.320 0.051 0.000 0.218 184 A C 2.322 179.904 177.584 -0.003 0.000 1.157 184 A CA 2.044 54.080 52.037 -0.001 0.000 0.689 184 A CB -0.653 18.345 19.000 -0.002 0.000 0.787 184 A HN 1.137 nan 8.150 nan 0.000 0.465 185 Q N -2.087 117.711 119.800 -0.003 0.000 2.402 185 Q HA 0.383 4.753 4.340 0.051 0.000 0.206 185 Q C 1.754 177.752 176.000 -0.002 0.000 0.919 185 Q CA 1.349 57.150 55.803 -0.004 0.000 0.923 185 Q CB -0.769 27.966 28.738 -0.006 0.000 1.048 185 Q HN 2.038 nan 8.270 nan 0.000 0.515 186 G N -2.371 106.428 108.800 -0.001 0.000 2.157 186 G HA2 -0.045 3.945 3.960 0.051 0.000 0.248 186 G HA3 -0.045 3.945 3.960 0.051 0.000 0.248 186 G C 0.415 175.316 174.900 0.001 0.000 0.979 186 G CA 0.759 45.860 45.100 0.000 0.000 0.650 186 G HN 1.818 nan 8.290 nan 0.000 0.529 187 H N 0.320 119.390 119.070 0.001 0.000 2.852 187 H HA 0.600 5.186 4.556 0.051 0.000 0.362 187 H C -1.101 174.230 175.328 0.005 0.000 1.122 187 H CA 0.299 56.348 56.048 0.002 0.000 1.419 187 H CB -0.458 29.305 29.762 0.001 0.000 1.401 187 H HN 0.417 nan 8.280 nan 0.000 0.609 188 P HA 0.423 nan 4.420 nan 0.000 0.276 188 P C 0.086 177.393 177.300 0.012 0.000 1.261 188 P CA 0.033 63.139 63.100 0.009 0.000 0.800 188 P CB 0.436 32.141 31.700 0.009 0.000 1.066 189 L N 1.166 122.398 121.223 0.014 0.000 2.536 189 L HA 0.266 4.637 4.340 0.051 0.000 0.282 189 L C -1.651 175.232 176.870 0.021 0.000 1.147 189 L CA -1.359 53.491 54.840 0.018 0.000 0.936 189 L CB -1.815 40.255 42.059 0.019 0.000 1.279 189 L HN 0.322 nan 8.230 nan 0.000 0.461 190 P HA 0.295 nan 4.420 nan 0.000 0.257 190 P C 1.314 178.633 177.300 0.032 0.000 1.189 190 P CA 0.730 63.844 63.100 0.024 0.000 0.780 190 P CB 0.364 32.079 31.700 0.025 0.000 0.772 191 K N 1.507 121.924 120.400 0.030 0.000 2.218 191 K HA -0.052 4.299 4.320 0.051 0.000 0.205 191 K C 1.256 177.882 176.600 0.043 0.000 1.046 191 K CA 2.124 58.431 56.287 0.034 0.000 0.933 191 K CB -0.801 31.716 32.500 0.029 0.000 0.728 191 K HN 0.692 nan 8.250 nan 0.000 0.454 192 R N -1.279 119.245 120.500 0.041 0.000 2.867 192 R HA 0.861 5.231 4.340 0.051 0.000 0.268 192 R C -0.769 175.564 176.300 0.053 0.000 1.014 192 R CA 0.083 56.211 56.100 0.047 0.000 0.946 192 R CB 1.265 31.580 30.300 0.025 0.000 1.208 192 R HN 0.692 nan 8.270 nan 0.000 0.477 193 V N -1.428 118.528 119.914 0.070 0.000 3.203 193 V HA 0.984 5.134 4.120 0.051 0.000 0.305 193 V C -1.218 174.913 176.094 0.063 0.000 1.361 193 V CA 0.108 62.456 62.300 0.080 0.000 1.066 193 V CB 2.095 33.994 31.823 0.127 0.000 1.085 193 V HN 1.808 nan 8.190 nan 0.000 0.456 194 R N 1.648 122.189 120.500 0.068 0.000 2.515 194 R HA 0.653 5.024 4.340 0.051 0.000 0.278 194 R C -0.756 175.590 176.300 0.077 0.000 1.107 194 R CA -0.553 55.561 56.100 0.023 0.000 0.945 194 R CB 0.659 30.947 30.300 -0.020 0.000 1.219 194 R HN 0.803 nan 8.270 nan 0.000 0.434 195 N N 1.621 120.388 118.700 0.113 0.000 2.411 195 N HA 0.143 4.913 4.740 0.051 0.000 0.265 195 N C 1.442 176.992 175.510 0.067 0.000 1.266 195 N CA 0.738 53.870 53.050 0.137 0.000 0.889 195 N CB 1.692 40.292 38.487 0.189 0.000 1.069 195 N HN 0.868 nan 8.380 nan 0.000 0.476 196 A N 3.424 126.280 122.820 0.061 0.000 1.877 196 A HA -0.158 4.192 4.320 0.051 0.000 0.216 196 A C 2.409 180.016 177.584 0.039 0.000 1.186 196 A CA 2.085 54.147 52.037 0.041 0.000 0.620 196 A CB -1.497 17.524 19.000 0.035 0.000 0.822 196 A HN 0.769 nan 8.150 nan 0.000 0.443 197 Y N -0.885 119.443 120.300 0.047 0.000 2.145 197 Y HA 0.157 4.738 4.550 0.051 0.000 0.286 197 Y C 1.740 177.662 175.900 0.038 0.000 1.145 197 Y CA 2.070 60.195 58.100 0.041 0.000 1.148 197 Y CB -1.527 36.960 38.460 0.045 0.000 0.981 197 Y HN 0.734 nan 8.280 nan 0.000 0.507 198 D N -0.793 119.634 120.400 0.045 0.000 2.530 198 D HA 0.638 5.308 4.640 0.051 0.000 0.282 198 D C 1.270 177.576 176.300 0.010 0.000 1.204 198 D CA 0.418 54.436 54.000 0.030 0.000 1.093 198 D CB 0.001 40.828 40.800 0.045 0.000 1.154 198 D HN 0.860 nan 8.370 nan 0.000 0.593 199 R N -2.039 118.445 120.500 -0.027 0.000 2.549 199 R HA 0.635 5.005 4.340 0.051 0.000 0.361 199 R C 1.358 177.580 176.300 -0.130 0.000 0.969 199 R CA 1.066 57.136 56.100 -0.051 0.000 1.158 199 R CB -1.122 29.156 30.300 -0.036 0.000 1.456 199 R HN 1.044 nan 8.270 nan 0.000 0.540 200 R N 0.391 120.762 120.500 -0.215 0.000 2.590 200 R HA 0.647 5.017 4.340 0.051 0.000 0.274 200 R C 0.642 176.587 176.300 -0.593 0.000 1.061 200 R CA 0.615 56.422 56.100 -0.489 0.000 1.081 200 R CB -0.859 28.974 30.300 -0.778 0.000 0.984 200 R HN 0.935 nan 8.270 nan 0.000 0.448 201 T N 1.865 116.076 114.554 -0.571 0.000 2.781 201 T HA 0.517 4.898 4.350 0.051 0.000 0.305 201 T C -0.519 173.933 174.700 -0.414 0.000 1.001 201 T CA -0.583 61.293 62.100 -0.374 0.000 0.950 201 T CB -0.050 68.706 68.868 -0.187 0.000 0.955 201 T HN 0.638 nan 8.240 nan 0.000 0.471 202 W N 1.511 122.806 121.300 -0.007 0.000 2.365 202 W HA 0.508 5.198 4.660 0.050 0.000 0.316 202 W C 0.759 177.279 176.519 0.001 0.000 1.164 202 W CA -0.833 56.510 57.345 -0.003 0.000 1.204 202 W CB 0.942 30.401 29.460 -0.001 0.000 1.213 202 W HN 0.744 nan 8.180 nan 0.000 0.539 203 E N 3.164 123.508 120.200 0.240 0.000 1.972 203 E HA 0.441 4.821 4.350 0.051 0.000 0.292 203 E C 0.418 177.097 176.600 0.130 0.000 1.193 203 E CA -0.250 56.233 56.400 0.137 0.000 1.228 203 E CB -0.880 28.877 29.700 0.095 0.000 1.167 203 E HN 0.745 nan 8.360 nan 0.000 0.479 204 L N 0.817 122.118 121.223 0.130 0.000 2.795 204 L HA 0.365 4.735 4.340 0.051 0.000 0.290 204 L C 2.091 178.996 176.870 0.059 0.000 1.206 204 L CA 1.456 56.350 54.840 0.089 0.000 0.919 204 L CB -1.605 40.498 42.059 0.073 0.000 1.227 204 L HN 1.171 nan 8.230 nan 0.000 0.483 205 L N 2.949 124.198 121.223 0.044 0.000 2.115 205 L HA 0.872 5.243 4.340 0.051 0.000 0.200 205 L C 1.628 178.511 176.870 0.022 0.000 1.094 205 L CA 2.910 57.769 54.840 0.031 0.000 0.769 205 L CB -1.382 40.691 42.059 0.023 0.000 0.931 205 L HN 2.133 nan 8.230 nan 0.000 0.455 206 R N -2.286 118.222 120.500 0.013 0.000 2.826 206 R HA 0.721 5.092 4.340 0.051 0.000 0.269 206 R C -1.101 175.200 176.300 0.003 0.000 1.031 206 R CA 0.100 56.206 56.100 0.009 0.000 0.900 206 R CB 0.010 30.314 30.300 0.007 0.000 1.318 206 R HN 0.482 nan 8.270 nan 0.000 0.447 207 L N -0.799 120.424 121.223 0.001 0.000 2.687 207 L HA 0.982 5.352 4.340 0.051 0.000 0.252 207 L C 1.088 177.953 176.870 -0.008 0.000 1.115 207 L CA -0.034 54.804 54.840 -0.003 0.000 0.893 207 L CB 1.851 43.910 42.059 -0.001 0.000 1.670 207 L HN 1.337 nan 8.230 nan 0.000 0.531 208 G N -1.054 107.740 108.800 -0.010 0.000 2.658 208 G HA2 0.360 4.350 3.960 0.051 0.000 0.301 208 G HA3 0.360 4.350 3.960 0.051 0.000 0.301 208 G C -0.601 174.292 174.900 -0.012 0.000 1.481 208 G CA -0.442 44.651 45.100 -0.012 0.000 0.931 208 G HN 0.372 nan 8.290 nan 0.000 0.573 209 E N 0.457 120.650 120.200 -0.011 0.000 2.516 209 E HA 0.241 4.621 4.350 0.051 0.000 0.199 209 E C 1.702 178.294 176.600 -0.014 0.000 1.069 209 E CA 0.925 57.319 56.400 -0.011 0.000 0.876 209 E CB 0.020 29.715 29.700 -0.008 0.000 0.843 209 E HN 0.899 nan 8.360 nan 0.000 0.530 210 E N 1.239 121.429 120.200 -0.017 0.000 2.568 210 E HA 0.192 4.572 4.350 0.051 0.000 0.262 210 E C 0.088 176.675 176.600 -0.022 0.000 0.961 210 E CA 0.580 56.968 56.400 -0.020 0.000 0.945 210 E CB -0.817 28.868 29.700 -0.025 0.000 0.924 210 E HN 0.432 nan 8.360 nan 0.000 0.467 211 D N 2.375 122.763 120.400 -0.021 0.000 2.425 211 D HA 0.513 5.183 4.640 0.051 0.000 0.247 211 D C -0.122 176.162 176.300 -0.027 0.000 1.147 211 D CA -0.213 53.775 54.000 -0.021 0.000 0.879 211 D CB 0.340 41.129 40.800 -0.018 0.000 1.179 211 D HN 0.630 nan 8.370 nan 0.000 0.456 212 P HA -0.030 nan 4.420 nan 0.000 0.215 212 P C 1.865 179.144 177.300 -0.034 0.000 1.157 212 P CA 2.664 65.744 63.100 -0.034 0.000 0.863 212 P CB -0.408 31.275 31.700 -0.029 0.000 0.787 213 K N -1.103 119.281 120.400 -0.026 0.000 2.442 213 K HA 0.221 4.572 4.320 0.051 0.000 0.199 213 K C 1.191 177.776 176.600 -0.026 0.000 1.044 213 K CA 2.009 58.282 56.287 -0.024 0.000 0.941 213 K CB -1.413 31.076 32.500 -0.018 0.000 0.759 213 K HN 0.790 nan 8.250 nan 0.000 0.472 221 L N -0.516 120.680 121.223 -0.045 0.000 2.731 221 L HA 0.985 5.356 4.340 0.051 0.000 0.256 221 L C 0.305 177.139 176.870 -0.061 0.000 0.947 221 L CA -0.220 54.589 54.840 -0.052 0.000 0.914 221 L CB 0.981 43.002 42.059 -0.065 0.000 1.470 221 L HN 2.153 nan 8.230 nan 0.000 0.421 222 S N 0.935 116.604 115.700 -0.052 0.000 2.422 222 S HA 0.858 5.358 4.470 0.051 0.000 0.283 222 S C 1.463 176.022 174.600 -0.068 0.000 1.163 222 S CA 0.528 58.697 58.200 -0.051 0.000 1.054 222 S CB 0.261 63.440 63.200 -0.035 0.000 0.967 222 S HN 2.573 nan 8.310 nan 0.000 0.499 223 L N 3.398 124.573 121.223 -0.081 0.000 1.899 223 L HA 0.126 4.496 4.340 0.051 0.000 0.223 223 L C 3.280 180.105 176.870 -0.076 0.000 1.088 223 L CA 2.907 57.683 54.840 -0.106 0.000 0.788 223 L CB -1.900 40.096 42.059 -0.104 0.000 0.889 223 L HN 1.400 nan 8.230 nan 0.000 0.431 224 L N -0.011 121.180 121.223 -0.053 0.000 2.089 224 L HA -0.160 4.210 4.340 0.051 0.000 0.213 224 L C 2.510 179.366 176.870 -0.024 0.000 1.079 224 L CA 4.215 59.035 54.840 -0.033 0.000 0.758 224 L CB -2.669 39.375 42.059 -0.024 0.000 0.891 224 L HN 0.910 nan 8.230 nan 0.000 0.433 225 D N -2.423 117.961 120.400 -0.027 0.000 2.077 225 D HA -0.144 4.526 4.640 0.051 0.000 0.197 225 D C 2.270 178.561 176.300 -0.015 0.000 0.983 225 D CA 2.836 56.825 54.000 -0.018 0.000 0.841 225 D CB -1.005 39.783 40.800 -0.019 0.000 0.992 225 D HN 1.323 nan 8.370 nan 0.000 0.450 226 Y N -0.415 119.871 120.300 -0.023 0.000 2.403 226 Y HA 0.155 4.735 4.550 0.051 0.000 0.291 226 Y C 2.877 178.776 175.900 -0.002 0.000 1.143 226 Y CA 2.961 61.052 58.100 -0.015 0.000 1.257 226 Y CB -2.011 36.433 38.460 -0.026 0.000 0.984 226 Y HN 0.941 nan 8.280 nan 0.000 0.550 227 H N -1.067 117.998 119.070 -0.010 0.000 2.387 227 H HA 0.126 4.712 4.556 0.051 0.000 0.299 227 H C 2.639 177.983 175.328 0.028 0.000 1.090 227 H CA 2.082 58.141 56.048 0.020 0.000 1.332 227 H CB -0.823 28.945 29.762 0.010 0.000 1.386 227 H HN 0.854 nan 8.280 nan 0.000 0.516 228 A N 0.402 123.231 122.820 0.014 0.000 2.119 228 A HA 0.254 4.605 4.320 0.051 0.000 0.216 228 A C 2.937 180.531 177.584 0.016 0.000 1.152 228 A CA 1.654 53.700 52.037 0.015 0.000 0.708 228 A CB -1.066 17.939 19.000 0.008 0.000 0.805 228 A HN 0.934 nan 8.150 nan 0.000 0.460 229 S N 0.109 115.818 115.700 0.015 0.000 2.399 229 S HA -0.024 4.476 4.470 0.051 0.000 0.231 229 S C 1.912 176.525 174.600 0.021 0.000 1.022 229 S CA 2.037 60.245 58.200 0.015 0.000 0.983 229 S CB -0.569 62.638 63.200 0.012 0.000 0.803 229 S HN 0.747 nan 8.310 nan 0.000 0.480 230 K N 0.895 121.312 120.400 0.029 0.000 2.546 230 K HA 0.502 4.852 4.320 0.051 0.000 0.198 230 K C 1.440 178.058 176.600 0.029 0.000 1.028 230 K CA 0.668 56.975 56.287 0.033 0.000 1.150 230 K CB -1.680 30.847 32.500 0.045 0.000 0.876 230 K HN 1.599 nan 8.250 nan 0.000 0.508 231 G N -1.595 107.219 108.800 0.024 0.000 2.233 231 G HA2 -0.215 3.775 3.960 0.051 0.000 0.270 231 G HA3 -0.215 3.775 3.960 0.051 0.000 0.270 231 G C 1.039 175.954 174.900 0.025 0.000 1.011 231 G CA 1.041 46.154 45.100 0.021 0.000 0.762 231 G HN 1.311 nan 8.290 nan 0.000 0.511 232 R N -1.515 119.004 120.500 0.030 0.000 2.356 232 R HA 0.749 5.120 4.340 0.051 0.000 0.234 232 R C 2.438 178.758 176.300 0.032 0.000 0.929 232 R CA 1.510 57.631 56.100 0.035 0.000 1.084 232 R CB -0.900 29.428 30.300 0.048 0.000 1.105 232 R HN 1.673 nan 8.270 nan 0.000 0.515 233 L N -1.663 119.575 121.223 0.025 0.000 2.446 233 L HA 0.482 4.852 4.340 0.051 0.000 0.219 233 L C 1.858 178.739 176.870 0.017 0.000 1.116 233 L CA 1.203 56.055 54.840 0.020 0.000 0.844 233 L CB -1.573 40.495 42.059 0.015 0.000 0.970 233 L HN 0.781 nan 8.230 nan 0.000 0.457 234 Q N -1.108 118.703 119.800 0.017 0.000 2.471 234 Q HA 0.490 4.860 4.340 0.051 0.000 0.223 234 Q C 1.805 177.814 176.000 0.016 0.000 1.045 234 Q CA 0.556 56.368 55.803 0.015 0.000 0.956 234 Q CB -0.110 28.637 28.738 0.015 0.000 1.249 234 Q HN 2.144 nan 8.270 nan 0.000 0.549 235 G N -1.918 106.890 108.800 0.013 0.000 2.498 235 G HA2 0.232 4.222 3.960 0.051 0.000 0.229 235 G HA3 0.232 4.222 3.960 0.051 0.000 0.229 235 G C 0.619 175.526 174.900 0.012 0.000 1.156 235 G CA 1.848 46.956 45.100 0.013 0.000 0.680 235 G HN 2.312 nan 8.290 nan 0.000 0.512 236 R N -1.658 118.850 120.500 0.013 0.000 2.832 236 R HA 1.027 5.397 4.340 0.051 0.000 0.283 236 R C -0.401 175.906 176.300 0.012 0.000 0.998 236 R CA 1.353 57.460 56.100 0.011 0.000 0.843 236 R CB -0.572 29.734 30.300 0.011 0.000 1.332 236 R HN 2.369 nan 8.270 nan 0.000 0.490 237 E N -1.390 118.816 120.200 0.010 0.000 2.401 237 E HA 0.795 5.175 4.350 0.051 0.000 0.280 237 E C 0.095 176.700 176.600 0.008 0.000 1.039 237 E CA -0.113 56.294 56.400 0.010 0.000 0.814 237 E CB 1.251 30.956 29.700 0.008 0.000 1.275 237 E HN 2.216 nan 8.360 nan 0.000 0.448 238 G N -1.105 107.700 108.800 0.008 0.000 3.021 238 G HA2 0.753 4.743 3.960 0.051 0.000 0.290 238 G HA3 0.753 4.743 3.960 0.051 0.000 0.290 238 G C 0.481 175.383 174.900 0.004 0.000 1.291 238 G CA 0.247 45.350 45.100 0.006 0.000 0.834 238 G HN 1.313 nan 8.290 nan 0.000 0.564 239 G N -0.588 108.213 108.800 0.003 0.000 2.225 239 G HA2 0.479 4.470 3.960 0.051 0.000 0.245 239 G HA3 0.479 4.470 3.960 0.051 0.000 0.245 239 G C 1.139 176.039 174.900 -0.000 0.000 1.249 239 G CA 1.151 46.252 45.100 0.000 0.000 0.919 239 G HN 1.113 nan 8.290 nan 0.000 0.486 240 R N 2.420 122.917 120.500 -0.005 0.000 2.091 240 R HA 0.254 4.625 4.340 0.051 0.000 0.238 240 R C 2.635 178.929 176.300 -0.011 0.000 1.136 240 R CA 2.700 58.794 56.100 -0.010 0.000 0.959 240 R CB -1.793 28.497 30.300 -0.018 0.000 0.856 240 R HN 2.495 nan 8.270 nan 0.000 0.437 241 V N -1.594 118.314 119.914 -0.010 0.000 0.689 241 V HA -0.140 4.010 4.120 0.051 0.000 0.092 241 V C 1.551 177.636 176.094 -0.014 0.000 0.800 241 V CA 3.556 65.851 62.300 -0.008 0.000 3.103 241 V CB -1.954 29.869 31.823 0.000 0.000 0.202 241 V HN 1.916 nan 8.190 nan 0.000 0.115 242 A N -0.869 121.945 122.820 -0.010 0.000 2.425 242 A HA 0.574 4.924 4.320 0.051 0.000 0.242 242 A C 0.346 177.907 177.584 -0.038 0.000 1.077 242 A CA 1.494 53.522 52.037 -0.015 0.000 0.781 242 A CB -0.116 18.883 19.000 -0.002 0.000 1.020 242 A HN 2.586 nan 8.150 nan 0.000 0.494 243 W N 2.093 123.369 121.300 -0.041 0.000 1.986 243 W HA 0.590 5.280 4.660 0.051 0.000 0.287 243 W C 0.019 176.501 176.519 -0.062 0.000 0.866 243 W CA -0.629 56.678 57.345 -0.064 0.000 2.056 243 W CB -1.032 28.395 29.460 -0.054 0.000 2.290 243 W HN 1.279 nan 8.180 nan 0.000 0.396 244 V N 1.690 121.553 119.914 -0.084 0.000 3.930 244 V HA 0.773 4.924 4.120 0.051 0.000 0.279 244 V C 0.735 176.805 176.094 -0.040 0.000 1.009 244 V CA 0.018 62.292 62.300 -0.044 0.000 1.018 244 V CB 0.725 32.535 31.823 -0.021 0.000 1.220 244 V HN 1.933 nan 8.190 nan 0.000 0.448 245 A N -0.907 121.942 122.820 0.049 0.000 2.547 245 A HA 0.642 4.992 4.320 0.051 0.000 0.297 245 A C -0.240 177.490 177.584 0.243 0.000 1.056 245 A CA 0.238 52.327 52.037 0.087 0.000 0.688 245 A CB 0.390 19.428 19.000 0.064 0.000 1.282 245 A HN 2.176 nan 8.150 nan 0.000 0.400 246 D N 2.072 122.643 120.400 0.285 0.000 2.502 246 D HA 0.446 5.117 4.640 0.051 0.000 0.249 246 D C -0.358 176.055 176.300 0.189 0.000 1.188 246 D CA -0.069 54.151 54.000 0.367 0.000 0.890 246 D CB -0.069 40.897 40.800 0.276 0.000 1.140 246 D HN 0.717 nan 8.370 nan 0.000 0.505 247 P HA -0.142 nan 4.420 nan 0.000 0.217 247 P C 1.848 179.166 177.300 0.030 0.000 1.148 247 P CA 2.995 66.133 63.100 0.064 0.000 0.828 247 P CB -0.293 31.414 31.700 0.011 0.000 0.783 248 K N -1.230 119.185 120.400 0.025 0.000 1.965 248 K HA 0.064 4.415 4.320 0.051 0.000 0.214 248 K C 1.771 178.384 176.600 0.020 0.000 1.042 248 K CA 1.987 58.280 56.287 0.009 0.000 0.950 248 K CB -1.666 30.835 32.500 0.003 0.000 0.733 248 K HN 0.494 nan 8.250 nan 0.000 0.441 249 D N 0.719 121.144 120.400 0.041 0.000 2.934 249 D HA 0.480 5.150 4.640 0.051 0.000 0.237 249 D C -1.482 174.847 176.300 0.047 0.000 1.158 249 D CA -0.398 53.626 54.000 0.040 0.000 0.971 249 D CB -0.703 40.125 40.800 0.047 0.000 1.123 249 D HN 0.643 nan 8.370 nan 0.000 0.467 250 P HA 0.554 nan 4.420 nan 0.000 0.225 250 P C 0.657 177.977 177.300 0.033 0.000 1.813 250 P CA 1.048 64.175 63.100 0.044 0.000 1.013 250 P CB -0.126 31.595 31.700 0.035 0.000 1.961 251 R N 0.356 120.876 120.500 0.034 0.000 2.834 251 R HA 0.728 5.098 4.340 0.051 0.000 0.120 251 R C 1.613 177.927 176.300 0.024 0.000 1.716 251 R CA 1.147 57.263 56.100 0.026 0.000 1.406 251 R CB -0.786 29.527 30.300 0.022 0.000 1.249 251 R HN 0.684 nan 8.270 nan 0.000 0.451 252 K N 2.379 122.792 120.400 0.022 0.000 2.542 252 K HA 0.315 4.666 4.320 0.051 0.000 0.276 252 K C -2.297 174.308 176.600 0.009 0.000 0.963 252 K CA -0.209 56.087 56.287 0.014 0.000 0.975 252 K CB -0.891 31.617 32.500 0.014 0.000 0.901 252 K HN 0.551 nan 8.250 nan 0.000 0.506 253 P HA 0.416 nan 4.420 nan 0.000 0.293 253 P C -0.795 176.483 177.300 -0.037 0.000 1.313 253 P CA -0.250 62.838 63.100 -0.020 0.000 0.787 253 P CB 0.455 32.142 31.700 -0.022 0.000 0.910 254 I N 5.554 126.088 120.570 -0.060 0.000 2.555 254 I HA 0.261 4.461 4.170 0.051 0.000 0.275 254 I C -2.264 173.773 176.117 -0.133 0.000 1.082 254 I CA -2.359 58.890 61.300 -0.084 0.000 1.167 254 I CB 1.338 39.297 38.000 -0.068 0.000 1.312 254 I HN 0.074 nan 8.210 nan 0.000 0.493 255 P HA 0.192 nan 4.420 nan 0.000 0.269 255 P C -0.691 176.474 177.300 -0.225 0.000 1.209 255 P CA 0.301 63.308 63.100 -0.155 0.000 0.776 255 P CB 0.566 32.183 31.700 -0.138 0.000 0.876 256 H N -0.970 117.974 119.070 -0.210 0.000 3.046 256 H HA 0.383 4.969 4.556 0.050 0.000 0.361 256 H C -0.190 175.066 175.328 -0.119 0.000 1.235 256 H CA -0.726 55.214 56.048 -0.181 0.000 1.146 256 H CB 1.420 31.025 29.762 -0.263 0.000 1.859 256 H HN 0.251 nan 8.280 nan 0.000 0.548 257 L N 1.021 122.265 121.223 0.034 0.000 2.525 257 L HA 0.350 4.720 4.340 0.051 0.000 0.278 257 L C 1.474 178.361 176.870 0.028 0.000 1.218 257 L CA 1.113 55.963 54.840 0.016 0.000 0.878 257 L CB -1.445 40.627 42.059 0.022 0.000 1.127 257 L HN 1.003 nan 8.230 nan 0.000 0.492 258 T N 1.040 115.602 114.554 0.013 0.000 3.366 258 T HA 0.458 4.838 4.350 0.051 0.000 0.249 258 T C 1.523 176.237 174.700 0.023 0.000 1.028 258 T CA 0.665 62.777 62.100 0.020 0.000 0.938 258 T CB -0.416 68.459 68.868 0.012 0.000 1.046 258 T HN 1.292 nan 8.240 nan 0.000 0.587 259 G N -0.538 108.277 108.800 0.026 0.000 2.833 259 G HA2 0.420 4.410 3.960 0.051 0.000 0.210 259 G HA3 0.420 4.410 3.960 0.051 0.000 0.210 259 G C 0.846 175.766 174.900 0.034 0.000 1.139 259 G CA 0.704 45.819 45.100 0.025 0.000 0.771 259 G HN 0.812 nan 8.290 nan 0.000 0.535 260 L N 0.182 121.432 121.223 0.045 0.000 3.030 260 L HA 0.881 5.251 4.340 0.051 0.000 0.252 260 L C -0.069 176.845 176.870 0.073 0.000 1.316 260 L CA -0.145 54.728 54.840 0.056 0.000 0.975 260 L CB -0.581 41.516 42.059 0.062 0.000 1.357 260 L HN 0.576 nan 8.230 nan 0.000 0.534 261 L N -0.628 120.637 121.223 0.070 0.000 2.472 261 L HA 1.023 5.393 4.340 0.051 0.000 0.260 261 L C -0.303 176.604 176.870 0.062 0.000 0.963 261 L CA -0.374 54.521 54.840 0.091 0.000 0.829 261 L CB 0.914 43.035 42.059 0.103 0.000 1.348 261 L HN 1.428 nan 8.230 nan 0.000 0.408 262 V N 1.790 121.739 119.914 0.059 0.000 2.459 262 V HA 0.947 5.097 4.120 0.051 0.000 0.295 262 V C -1.537 174.576 176.094 0.031 0.000 1.029 262 V CA -1.498 60.822 62.300 0.033 0.000 0.874 262 V CB 1.827 33.663 31.823 0.022 0.000 0.985 262 V HN 1.199 nan 8.190 nan 0.000 0.438 263 P HA 0.634 nan 4.420 nan 0.000 0.271 263 P C -0.459 176.846 177.300 0.007 0.000 1.220 263 P CA 1.053 64.164 63.100 0.018 0.000 0.768 263 P CB 0.846 32.551 31.700 0.010 0.000 0.848 264 V N 2.577 122.499 119.914 0.013 0.000 2.284 264 V HA 0.664 4.814 4.120 0.051 0.000 0.274 264 V C 0.590 176.687 176.094 0.005 0.000 1.023 264 V CA -0.666 61.637 62.300 0.005 0.000 0.808 264 V CB 0.547 32.375 31.823 0.008 0.000 1.035 264 V HN 0.832 nan 8.190 nan 0.000 0.445 265 L N 3.155 124.376 121.223 -0.004 0.000 2.475 265 L HA 1.066 5.436 4.340 0.051 0.000 0.253 265 L C 0.688 177.559 176.870 0.001 0.000 1.198 265 L CA 0.513 55.352 54.840 -0.002 0.000 0.814 265 L CB 0.246 42.298 42.059 -0.011 0.000 1.134 265 L HN 1.471 nan 8.230 nan 0.000 0.478 266 T N -1.892 112.665 114.554 0.004 0.000 2.591 266 T HA 0.834 5.215 4.350 0.051 0.000 0.274 266 T C 1.478 176.181 174.700 0.005 0.000 0.945 266 T CA 0.834 62.939 62.100 0.009 0.000 1.087 266 T CB -0.345 68.531 68.868 0.014 0.000 1.416 266 T HN 2.157 nan 8.240 nan 0.000 0.514 267 L N 0.080 121.309 121.223 0.010 0.000 1.924 267 L HA 0.319 4.689 4.340 0.051 0.000 0.222 267 L C 2.909 179.779 176.870 0.000 0.000 1.081 267 L CA 3.697 58.540 54.840 0.005 0.000 0.780 267 L CB -2.280 39.787 42.059 0.013 0.000 0.891 267 L HN 1.145 nan 8.230 nan 0.000 0.434 268 E N 0.341 120.544 120.200 0.006 0.000 2.016 268 E HA 0.101 4.481 4.350 0.051 0.000 0.190 268 E C 1.586 178.188 176.600 0.004 0.000 0.985 268 E CA 1.775 58.179 56.400 0.006 0.000 0.802 268 E CB -1.831 27.875 29.700 0.011 0.000 0.762 268 E HN 1.258 nan 8.360 nan 0.000 0.448 280 S N 1.682 117.425 115.700 0.072 0.000 2.750 280 S HA 0.807 5.307 4.470 0.051 0.000 0.276 280 S C -0.501 174.191 174.600 0.153 0.000 1.165 280 S CA -0.502 57.779 58.200 0.134 0.000 1.047 280 S CB 0.920 64.176 63.200 0.094 0.000 1.056 280 S HN 1.027 nan 8.310 nan 0.000 0.481 281 L N 3.946 125.281 121.223 0.186 0.000 2.418 281 L HA 0.302 4.672 4.340 0.051 0.000 0.274 281 L C -2.204 174.749 176.870 0.138 0.000 1.135 281 L CA -1.522 53.409 54.840 0.153 0.000 0.870 281 L CB 0.595 42.732 42.059 0.130 0.000 1.154 281 L HN 0.381 nan 8.230 nan 0.000 0.462 282 P HA -0.067 nan 4.420 nan 0.000 0.271 282 P C 0.675 178.019 177.300 0.074 0.000 1.220 282 P CA -0.395 62.753 63.100 0.079 0.000 0.768 282 P CB 0.408 32.096 31.700 -0.021 0.000 0.848 283 W N 3.486 124.862 121.300 0.126 0.000 2.290 283 W HA -0.311 4.380 4.660 0.051 0.000 0.311 283 W C 1.331 177.942 176.519 0.154 0.000 1.238 283 W CA 2.055 59.517 57.345 0.194 0.000 1.255 283 W CB -1.828 27.754 29.460 0.203 0.000 1.145 283 W HN 0.367 nan 8.180 nan 0.000 0.506 284 E N 1.591 121.138 120.200 -1.088 0.000 2.085 284 E HA -0.298 4.082 4.350 0.051 0.000 0.194 284 E C 1.891 178.245 176.600 -0.410 0.000 0.994 284 E CA 2.070 57.822 56.400 -1.080 0.000 0.801 284 E CB -1.067 28.006 29.700 -1.045 0.000 0.743 284 E HN 0.693 nan 8.360 nan 0.000 0.453 285 E N -0.768 119.288 120.200 -0.240 0.000 2.216 285 E HA -0.086 4.295 4.350 0.051 0.000 0.192 285 E C 2.361 178.927 176.600 -0.057 0.000 0.988 285 E CA 0.578 56.910 56.400 -0.113 0.000 0.834 285 E CB 0.000 29.670 29.700 -0.050 0.000 0.772 285 E HN 0.459 nan 8.360 nan 0.000 0.479 286 R N 0.855 121.356 120.500 0.003 0.000 2.062 286 R HA -0.132 4.238 4.340 0.051 0.000 0.229 286 R C 2.594 178.849 176.300 -0.075 0.000 1.128 286 R CA 1.648 57.782 56.100 0.057 0.000 0.960 286 R CB -0.188 30.253 30.300 0.235 0.000 0.855 286 R HN 0.092 nan 8.270 nan 0.000 0.432 287 R N 0.140 120.489 120.500 -0.252 0.000 2.159 287 R HA -0.149 4.222 4.340 0.051 0.000 0.237 287 R C 2.258 178.415 176.300 -0.239 0.000 1.131 287 R CA 1.619 57.374 56.100 -0.576 0.000 0.982 287 R CB -0.533 29.439 30.300 -0.547 0.000 0.868 287 R HN 0.162 nan 8.270 nan 0.000 0.453 288 R N 0.558 120.966 120.500 -0.153 0.000 2.055 288 R HA 0.020 4.390 4.340 0.051 0.000 0.228 288 R C 2.058 178.311 176.300 -0.078 0.000 1.143 288 R CA 0.902 56.943 56.100 -0.100 0.000 0.945 288 R CB -0.065 30.180 30.300 -0.091 0.000 0.841 288 R HN 0.149 nan 8.270 nan 0.000 0.429 289 R N 0.188 120.647 120.500 -0.067 0.000 2.200 289 R HA -0.069 4.301 4.340 0.051 0.000 0.234 289 R C 2.032 178.297 176.300 -0.058 0.000 1.127 289 R CA 1.452 57.515 56.100 -0.061 0.000 0.989 289 R CB -0.678 29.590 30.300 -0.053 0.000 0.869 289 R HN 0.359 nan 8.270 nan 0.000 0.459 290 T N 0.690 115.225 114.554 -0.032 0.000 2.732 290 T HA -0.060 4.320 4.350 0.051 0.000 0.261 290 T C 1.883 176.584 174.700 0.002 0.000 1.040 290 T CA 1.075 63.197 62.100 0.037 0.000 1.145 290 T CB 0.005 68.944 68.868 0.119 0.000 0.866 290 T HN 0.331 nan 8.240 nan 0.000 0.427 291 R N 1.112 121.608 120.500 -0.006 0.000 2.081 291 R HA -0.055 4.315 4.340 0.051 0.000 0.235 291 R C 2.470 178.669 176.300 -0.168 0.000 1.131 291 R CA 1.291 57.331 56.100 -0.100 0.000 0.960 291 R CB -0.295 29.983 30.300 -0.037 0.000 0.856 291 R HN 0.551 nan 8.270 nan 0.000 0.436 292 E N 0.897 121.037 120.200 -0.100 0.000 2.021 292 E HA -0.210 4.170 4.350 0.051 0.000 0.200 292 E C 2.090 178.655 176.600 -0.059 0.000 1.015 292 E CA 1.367 57.724 56.400 -0.072 0.000 0.824 292 E CB -0.156 29.504 29.700 -0.067 0.000 0.762 292 E HN 0.227 nan 8.360 nan 0.000 0.454 293 I N 1.132 121.645 120.570 -0.094 0.000 2.264 293 I HA -0.271 3.929 4.170 0.051 0.000 0.248 293 I C 2.542 178.636 176.117 -0.038 0.000 1.111 293 I CA 1.182 62.440 61.300 -0.070 0.000 1.382 293 I CB -1.349 36.577 38.000 -0.123 0.000 1.060 293 I HN 0.073 nan 8.210 nan 0.000 0.418 294 A N 0.708 123.377 122.820 -0.253 0.000 1.845 294 A HA -0.190 4.161 4.320 0.051 0.000 0.215 294 A C 2.632 180.026 177.584 -0.316 0.000 1.195 294 A CA 2.238 53.978 52.037 -0.495 0.000 0.616 294 A CB -0.905 17.247 19.000 -1.413 0.000 0.832 294 A HN 0.397 nan 8.150 nan 0.000 0.443 295 S N -1.619 113.922 115.700 -0.264 0.000 2.365 295 S HA -0.260 4.240 4.470 0.051 0.000 0.221 295 S C 1.490 176.057 174.600 -0.054 0.000 1.037 295 S CA 1.657 59.770 58.200 -0.146 0.000 1.060 295 S CB -0.724 62.418 63.200 -0.096 0.000 0.974 295 S HN 0.754 nan 8.310 nan 0.000 0.427 296 W N 2.324 123.529 121.300 -0.159 0.000 2.277 296 W HA -0.366 4.325 4.660 0.051 0.000 0.327 296 W C 2.530 178.977 176.519 -0.121 0.000 1.284 296 W CA 2.942 60.215 57.345 -0.120 0.000 1.277 296 W CB -0.900 28.498 29.460 -0.103 0.000 1.141 296 W HN 0.264 nan 8.180 nan 0.000 0.482 297 I N 0.546 121.198 120.570 0.136 0.000 2.315 297 I HA 0.021 4.221 4.170 0.051 0.000 0.248 297 I C 2.248 178.219 176.117 -0.242 0.000 1.117 297 I CA 2.529 63.775 61.300 -0.091 0.000 1.404 297 I CB -2.005 36.055 38.000 0.100 0.000 1.071 297 I HN 0.294 nan 8.210 nan 0.000 0.419 298 G N -0.583 108.099 108.800 -0.197 0.000 2.422 298 G HA2 -0.203 3.787 3.960 0.051 0.000 0.218 298 G HA3 -0.203 3.787 3.960 0.051 0.000 0.218 298 G C 1.934 176.707 174.900 -0.212 0.000 1.140 298 G CA 0.815 45.800 45.100 -0.193 0.000 0.775 298 G HN 0.607 nan 8.290 nan 0.000 0.545 299 R N 0.615 120.966 120.500 -0.250 0.000 2.062 299 R HA 0.055 4.425 4.340 0.051 0.000 0.231 299 R C 2.286 178.388 176.300 -0.330 0.000 1.136 299 R CA 0.640 56.585 56.100 -0.259 0.000 0.948 299 R CB -0.309 29.838 30.300 -0.255 0.000 0.845 299 R HN 0.193 nan 8.270 nan 0.000 0.430 300 R N 0.281 120.470 120.500 -0.519 0.000 2.323 300 R HA -0.005 4.365 4.340 0.051 0.000 0.198 300 R C 0.766 176.849 176.300 -0.363 0.000 0.988 300 R CA 0.396 56.167 56.100 -0.548 0.000 1.041 300 R CB 0.216 29.915 30.300 -1.001 0.000 0.926 300 R HN 0.168 nan 8.270 nan 0.000 0.476 301 L N -1.638 119.412 121.223 -0.289 0.000 3.039 301 L HA 0.279 4.649 4.340 0.051 0.000 0.269 301 L C 0.682 177.449 176.870 -0.170 0.000 1.169 301 L CA 0.384 55.096 54.840 -0.212 0.000 0.986 301 L CB 1.093 43.025 42.059 -0.211 0.000 1.377 301 L HN 0.217 nan 8.230 nan 0.000 0.575 302 G N 0.737 109.439 108.800 -0.163 0.000 2.324 302 G HA2 -0.246 3.744 3.960 0.051 0.000 0.292 302 G HA3 -0.246 3.744 3.960 0.051 0.000 0.292 302 G C 0.515 175.348 174.900 -0.111 0.000 1.079 302 G CA 0.557 45.585 45.100 -0.122 0.000 1.026 302 G HN 0.287 nan 8.290 nan 0.000 0.506 303 L N -0.712 120.436 121.223 -0.125 0.000 2.920 303 L HA 0.488 4.858 4.340 0.051 0.000 0.257 303 L C 1.555 178.387 176.870 -0.063 0.000 1.150 303 L CA 0.471 55.245 54.840 -0.109 0.000 0.959 303 L CB 0.221 42.160 42.059 -0.200 0.000 1.321 303 L HN 1.350 nan 8.230 nan 0.000 0.555 304 G N 0.384 109.136 108.800 -0.079 0.000 2.500 304 G HA2 -0.194 3.796 3.960 0.051 0.000 0.209 304 G HA3 -0.194 3.796 3.960 0.051 0.000 0.209 304 G C -0.434 174.421 174.900 -0.074 0.000 1.283 304 G CA -0.611 44.453 45.100 -0.061 0.000 0.960 304 G HN -0.120 nan 8.290 nan 0.000 0.528 305 T N 3.251 117.773 114.554 -0.054 0.000 2.771 305 T HA 0.601 4.981 4.350 0.051 0.000 0.291 305 T C -2.244 172.432 174.700 -0.040 0.000 0.954 305 T CA -0.367 61.699 62.100 -0.056 0.000 1.045 305 T CB 1.363 70.207 68.868 -0.041 0.000 0.917 305 T HN 0.486 nan 8.240 nan 0.000 0.484 306 P HA 0.375 nan 4.420 nan 0.000 0.275 306 P C -0.460 176.888 177.300 0.080 0.000 1.276 306 P CA -0.157 62.932 63.100 -0.018 0.000 0.782 306 P CB 0.131 31.698 31.700 -0.222 0.000 0.851 307 E N 2.900 123.163 120.200 0.105 0.000 2.001 307 E HA 0.497 4.877 4.350 0.051 0.000 0.279 307 E C 0.450 177.108 176.600 0.097 0.000 1.045 307 E CA -0.785 55.664 56.400 0.081 0.000 0.833 307 E CB 0.148 29.872 29.700 0.041 0.000 1.077 307 E HN 0.627 nan 8.360 nan 0.000 0.397 308 A N 2.515 125.372 122.820 0.061 0.000 2.573 308 A HA 0.312 4.662 4.320 0.051 0.000 0.250 308 A C 0.798 178.285 177.584 -0.161 0.000 1.049 308 A CA 0.484 52.384 52.037 -0.229 0.000 0.767 308 A CB -0.097 18.590 19.000 -0.523 0.000 0.965 308 A HN 1.506 nan 8.150 nan 0.000 0.514 309 V N 5.705 125.506 119.914 -0.189 0.000 2.572 309 V HA 0.442 4.593 4.120 0.051 0.000 0.291 309 V C 0.515 176.636 176.094 0.045 0.000 1.039 309 V CA -0.177 62.094 62.300 -0.048 0.000 1.055 309 V CB 0.215 32.014 31.823 -0.040 0.000 0.969 309 V HN 0.985 nan 8.190 nan 0.000 0.482 310 R N 5.857 126.413 120.500 0.093 0.000 2.803 310 R HA 0.922 5.292 4.340 0.051 0.000 0.276 310 R C -0.802 175.528 176.300 0.049 0.000 0.978 310 R CA -0.601 55.577 56.100 0.130 0.000 0.939 310 R CB 2.000 32.422 30.300 0.204 0.000 1.179 310 R HN 0.775 nan 8.270 nan 0.000 0.472 311 A N 1.375 124.201 122.820 0.009 0.000 2.479 311 A HA 0.398 4.748 4.320 0.051 0.000 0.296 311 A C -0.964 176.563 177.584 -0.095 0.000 1.121 311 A CA -0.930 51.089 52.037 -0.030 0.000 0.743 311 A CB 1.791 20.777 19.000 -0.024 0.000 1.323 311 A HN 0.599 nan 8.150 nan 0.000 0.415 312 Q N 0.573 120.300 119.800 -0.121 0.000 2.288 312 Q HA 0.502 4.872 4.340 0.051 0.000 0.258 312 Q C 0.165 175.956 176.000 -0.349 0.000 0.957 312 Q CA 0.125 55.776 55.803 -0.252 0.000 0.919 312 Q CB 1.423 30.022 28.738 -0.233 0.000 1.185 312 Q HN 0.820 nan 8.270 nan 0.000 0.408 313 A N 3.354 125.916 122.820 -0.431 0.000 2.256 313 A HA 0.758 5.108 4.320 0.051 0.000 0.318 313 A C -1.223 175.980 177.584 -0.635 0.000 1.103 313 A CA -0.336 51.481 52.037 -0.367 0.000 0.860 313 A CB 0.832 19.690 19.000 -0.236 0.000 1.182 313 A HN 0.645 nan 8.150 nan 0.000 0.501 314 Y N -0.910 119.347 120.300 -0.070 0.000 2.470 314 Y HA 0.541 5.122 4.550 0.051 0.000 0.341 314 Y C 0.103 176.014 175.900 0.017 0.000 1.021 314 Y CA -0.657 57.449 58.100 0.010 0.000 1.025 314 Y CB 1.781 40.313 38.460 0.119 0.000 1.266 314 Y HN 0.812 nan 8.280 nan 0.000 0.448 315 R N 2.554 123.133 120.500 0.131 0.000 2.390 315 R HA 0.539 4.909 4.340 0.051 0.000 0.291 315 R C -1.647 174.716 176.300 0.104 0.000 1.070 315 R CA -0.059 56.081 56.100 0.067 0.000 1.014 315 R CB 0.320 30.640 30.300 0.033 0.000 1.007 315 R HN 0.797 nan 8.270 nan 0.000 0.466 316 L N 3.340 124.600 121.223 0.062 0.000 2.317 316 L HA 0.366 4.736 4.340 0.051 0.000 0.281 316 L C -0.102 176.922 176.870 0.257 0.000 1.024 316 L CA -0.957 53.964 54.840 0.135 0.000 0.810 316 L CB 1.986 44.083 42.059 0.064 0.000 1.240 316 L HN 0.913 nan 8.230 nan 0.000 0.427 317 S N 3.711 119.601 115.700 0.317 0.000 2.714 317 S HA 0.108 4.609 4.470 0.051 0.000 0.318 317 S C 0.190 175.052 174.600 0.436 0.000 1.219 317 S CA -0.497 57.905 58.200 0.336 0.000 1.175 317 S CB -0.979 62.423 63.200 0.336 0.000 0.961 317 S HN 0.365 nan 8.310 nan 0.000 0.518 318 I N 3.822 124.548 120.570 0.261 0.000 2.989 318 I HA -0.005 4.196 4.170 0.051 0.000 0.311 318 I C -1.936 174.136 176.117 -0.075 0.000 1.221 318 I CA -1.104 60.277 61.300 0.135 0.000 1.449 318 I CB -0.518 37.531 38.000 0.081 0.000 1.325 318 I HN 0.360 nan 8.210 nan 0.000 0.557 319 P HA 0.217 nan 4.420 nan 0.000 0.275 319 P C -0.531 176.602 177.300 -0.280 0.000 1.227 319 P CA -0.298 62.368 63.100 -0.723 0.000 0.781 319 P CB 0.556 31.627 31.700 -1.049 0.000 0.906 320 K N 2.860 123.175 120.400 -0.141 0.000 2.268 320 K HA 0.375 4.725 4.320 0.051 0.000 0.276 320 K C -0.837 175.736 176.600 -0.045 0.000 1.080 320 K CA -0.581 55.673 56.287 -0.054 0.000 0.910 320 K CB -0.103 32.399 32.500 0.003 0.000 1.163 320 K HN 0.499 nan 8.250 nan 0.000 0.465 321 L N 2.459 123.653 121.223 -0.048 0.000 2.295 321 L HA 0.640 5.010 4.340 0.051 0.000 0.285 321 L C -0.469 176.414 176.870 0.021 0.000 1.035 321 L CA -0.685 54.135 54.840 -0.033 0.000 0.806 321 L CB 1.751 43.790 42.059 -0.033 0.000 1.214 321 L HN 0.678 nan 8.230 nan 0.000 0.426 322 M N 4.560 124.185 119.600 0.043 0.000 2.018 322 M HA 0.350 4.860 4.480 0.051 0.000 0.311 322 M C 0.574 176.988 176.300 0.191 0.000 0.928 322 M CA -0.445 54.930 55.300 0.124 0.000 0.911 322 M CB 0.640 33.365 32.600 0.208 0.000 1.447 322 M HN 0.755 nan 8.290 nan 0.000 0.407 323 G N 2.478 111.357 108.800 0.132 0.000 2.679 323 G HA2 -0.003 3.987 3.960 0.051 0.000 0.158 323 G HA3 -0.003 3.987 3.960 0.051 0.000 0.158 323 G C 1.015 175.998 174.900 0.138 0.000 1.702 323 G CA 0.108 45.292 45.100 0.142 0.000 1.041 323 G HN 0.715 nan 8.290 nan 0.000 0.507 324 R N -0.447 120.068 120.500 0.025 0.000 2.090 324 R HA 0.092 4.463 4.340 0.051 0.000 0.228 324 R C 0.996 177.291 176.300 -0.009 0.000 1.110 324 R CA 0.762 56.847 56.100 -0.024 0.000 0.973 324 R CB 0.041 30.291 30.300 -0.084 0.000 0.869 324 R HN 0.353 nan 8.270 nan 0.000 0.440 325 R N -1.234 119.267 120.500 0.002 0.000 2.930 325 R HA 0.463 4.834 4.340 0.051 0.000 0.257 325 R C -1.088 175.231 176.300 0.032 0.000 1.107 325 R CA -0.566 55.542 56.100 0.013 0.000 0.999 325 R CB 1.476 31.773 30.300 -0.005 0.000 1.209 325 R HN 0.159 nan 8.270 nan 0.000 0.486 326 A N 0.784 123.623 122.820 0.032 0.000 2.587 326 A HA 0.284 4.635 4.320 0.051 0.000 0.233 326 A C -0.214 177.388 177.584 0.029 0.000 1.049 326 A CA 0.315 52.373 52.037 0.034 0.000 0.754 326 A CB 0.171 19.187 19.000 0.027 0.000 0.977 326 A HN 0.435 nan 8.150 nan 0.000 0.509 327 V N 1.560 121.495 119.914 0.035 0.000 3.178 327 V HA 0.596 4.747 4.120 0.051 0.000 0.302 327 V C 0.665 176.791 176.094 0.053 0.000 1.262 327 V CA 0.284 62.607 62.300 0.038 0.000 1.030 327 V CB 2.134 33.977 31.823 0.033 0.000 1.074 327 V HN 1.635 nan 8.190 nan 0.000 0.438 328 S N 2.752 118.492 115.700 0.067 0.000 2.497 328 S HA 0.355 4.855 4.470 0.051 0.000 0.218 328 S C 0.295 175.004 174.600 0.180 0.000 1.023 328 S CA 0.462 58.724 58.200 0.103 0.000 0.913 328 S CB -0.106 63.149 63.200 0.091 0.000 0.800 328 S HN 1.042 nan 8.310 nan 0.000 0.505 329 K N -0.368 120.095 120.400 0.104 0.000 2.551 329 K HA 0.517 4.868 4.320 0.051 0.000 0.269 329 K C -3.127 173.428 176.600 -0.074 0.000 0.949 329 K CA -2.030 54.260 56.287 0.004 0.000 0.849 329 K CB 1.211 33.649 32.500 -0.103 0.000 1.411 329 K HN -0.314 nan 8.250 nan 0.000 0.432 330 P HA -0.242 nan 4.420 nan 0.000 0.216 330 P C 1.206 178.407 177.300 -0.164 0.000 1.150 330 P CA 2.099 65.118 63.100 -0.136 0.000 0.843 330 P CB 0.008 31.590 31.700 -0.198 0.000 0.787 331 A N 0.118 122.743 122.820 -0.324 0.000 1.986 331 A HA -0.241 4.109 4.320 0.051 0.000 0.220 331 A C 1.855 179.387 177.584 -0.087 0.000 1.171 331 A CA 2.057 53.906 52.037 -0.314 0.000 0.640 331 A CB -1.397 17.207 19.000 -0.661 0.000 0.811 331 A HN 0.136 nan 8.150 nan 0.000 0.451 332 D N 0.043 120.415 120.400 -0.047 0.000 2.310 332 D HA 0.024 4.695 4.640 0.051 0.000 0.212 332 D C 1.882 178.169 176.300 -0.021 0.000 0.965 332 D CA 1.060 55.058 54.000 -0.004 0.000 0.879 332 D CB -0.290 40.518 40.800 0.014 0.000 0.921 332 D HN 0.490 nan 8.370 nan 0.000 0.510 333 A N 0.394 123.206 122.820 -0.013 0.000 2.216 333 A HA -0.047 4.303 4.320 0.051 0.000 0.214 333 A C 2.189 179.690 177.584 -0.139 0.000 1.160 333 A CA 0.344 52.361 52.037 -0.032 0.000 0.725 333 A CB -0.526 18.544 19.000 0.118 0.000 0.784 333 A HN 0.217 nan 8.150 nan 0.000 0.472 334 L N -0.693 120.506 121.223 -0.039 0.000 2.156 334 L HA -0.136 4.234 4.340 0.051 0.000 0.208 334 L C 2.769 179.591 176.870 -0.079 0.000 1.095 334 L CA 1.481 56.309 54.840 -0.019 0.000 0.770 334 L CB -0.256 41.843 42.059 0.066 0.000 0.914 334 L HN 0.573 nan 8.230 nan 0.000 0.439 335 R N -1.855 118.601 120.500 -0.072 0.000 2.250 335 R HA 0.091 4.461 4.340 0.051 0.000 0.194 335 R C 1.836 178.075 176.300 -0.102 0.000 0.927 335 R CA 0.333 56.396 56.100 -0.062 0.000 1.052 335 R CB -0.279 30.012 30.300 -0.015 0.000 1.055 335 R HN 0.062 nan 8.270 nan 0.000 0.537 336 V N 1.125 120.966 119.914 -0.122 0.000 2.535 336 V HA 0.149 4.299 4.120 0.051 0.000 0.246 336 V C 1.164 177.131 176.094 -0.211 0.000 1.045 336 V CA 1.590 63.815 62.300 -0.124 0.000 1.058 336 V CB -0.440 31.335 31.823 -0.081 0.000 0.689 336 V HN 0.749 nan 8.190 nan 0.000 0.461 337 G N -0.648 107.923 108.800 -0.381 0.000 2.479 337 G HA2 -0.032 3.958 3.960 0.051 0.000 0.686 337 G HA3 -0.032 3.958 3.960 0.051 0.000 0.686 337 G C -0.934 173.642 174.900 -0.540 0.000 1.295 337 G CA -0.845 43.879 45.100 -0.627 0.000 0.922 337 G HN 0.064 nan 8.290 nan 0.000 0.582 338 F N -0.259 119.620 119.950 -0.119 0.000 2.397 338 F HA 0.542 5.101 4.527 0.054 0.000 0.331 338 F C 1.361 177.158 175.800 -0.005 0.000 1.090 338 F CA -0.580 57.376 58.000 -0.074 0.000 1.065 338 F CB 1.031 39.945 39.000 -0.144 0.000 1.184 338 F HN 0.625 nan 8.300 nan 0.000 0.499 339 Y N 1.439 121.823 120.300 0.140 0.000 2.365 339 Y HA -0.098 4.482 4.550 0.049 0.000 0.287 339 Y C 0.908 176.850 175.900 0.070 0.000 1.162 339 Y CA 1.404 59.547 58.100 0.073 0.000 1.260 339 Y CB 0.155 38.653 38.460 0.062 0.000 0.976 339 Y HN 0.536 nan 8.280 nan 0.000 0.548 340 R N 0.329 120.924 120.500 0.158 0.000 3.146 340 R HA 0.475 4.845 4.340 0.051 0.000 0.283 340 R C -1.596 174.753 176.300 0.081 0.000 1.375 340 R CA 0.177 56.314 56.100 0.063 0.000 1.029 340 R CB 0.027 30.393 30.300 0.109 0.000 1.375 340 R HN 0.137 nan 8.270 nan 0.000 0.380 341 A N 1.879 124.746 122.820 0.079 0.000 2.248 341 A HA 0.911 5.262 4.320 0.051 0.000 0.316 341 A C -0.371 177.262 177.584 0.080 0.000 1.101 341 A CA 0.267 52.355 52.037 0.085 0.000 0.875 341 A CB 1.413 20.486 19.000 0.121 0.000 1.207 341 A HN 0.870 nan 8.150 nan 0.000 0.504 342 Q N -0.748 119.127 119.800 0.124 0.000 2.685 342 Q HA 0.583 4.953 4.340 0.051 0.000 0.301 342 Q C -0.637 175.450 176.000 0.145 0.000 0.924 342 Q CA -0.104 55.759 55.803 0.100 0.000 0.755 342 Q CB 0.219 28.988 28.738 0.052 0.000 1.470 342 Q HN 1.024 nan 8.270 nan 0.000 0.434 343 E N 0.682 120.936 120.200 0.091 0.000 2.480 343 E HA 0.336 4.716 4.350 0.051 0.000 0.258 343 E C -0.371 176.266 176.600 0.062 0.000 0.984 343 E CA 0.999 57.441 56.400 0.071 0.000 0.930 343 E CB 0.380 30.100 29.700 0.034 0.000 0.936 343 E HN 0.715 nan 8.360 nan 0.000 0.466 344 T N 2.347 116.923 114.554 0.038 0.000 2.991 344 T HA 0.612 4.993 4.350 0.051 0.000 0.303 344 T C -1.155 173.490 174.700 -0.093 0.000 1.015 344 T CA -0.420 61.682 62.100 0.004 0.000 1.007 344 T CB 1.164 70.103 68.868 0.118 0.000 1.034 344 T HN 0.450 nan 8.240 nan 0.000 0.446 345 A N 4.338 127.117 122.820 -0.068 0.000 2.312 345 A HA 0.861 5.211 4.320 0.051 0.000 0.326 345 A C -1.159 176.378 177.584 -0.079 0.000 1.172 345 A CA -0.662 51.329 52.037 -0.078 0.000 0.821 345 A CB 0.777 19.703 19.000 -0.123 0.000 1.166 345 A HN 0.726 nan 8.150 nan 0.000 0.493 346 L N 1.527 122.737 121.223 -0.021 0.000 2.439 346 L HA 0.649 5.019 4.340 0.051 0.000 0.270 346 L C 0.380 177.378 176.870 0.214 0.000 0.972 346 L CA 0.056 54.935 54.840 0.065 0.000 0.836 346 L CB 1.474 43.590 42.059 0.095 0.000 1.255 346 L HN 0.900 nan 8.230 nan 0.000 0.404 347 A N 3.120 126.023 122.820 0.139 0.000 2.264 347 A HA 0.834 5.184 4.320 0.051 0.000 0.304 347 A C -1.061 176.579 177.584 0.093 0.000 1.100 347 A CA -0.410 51.725 52.037 0.163 0.000 0.839 347 A CB 1.074 20.079 19.000 0.010 0.000 1.121 347 A HN 0.628 nan 8.150 nan 0.000 0.496 348 L N 0.831 122.008 121.223 -0.076 0.000 2.365 348 L HA 0.761 5.132 4.340 0.051 0.000 0.273 348 L C -1.288 175.399 176.870 -0.305 0.000 1.000 348 L CA -0.565 54.003 54.840 -0.453 0.000 0.819 348 L CB 1.752 43.126 42.059 -1.142 0.000 1.284 348 L HN 0.649 nan 8.230 nan 0.000 0.418 349 L N 4.949 126.013 121.223 -0.265 0.000 2.356 349 L HA 0.613 4.983 4.340 0.051 0.000 0.277 349 L C -0.963 175.804 176.870 -0.170 0.000 0.996 349 L CA -0.205 54.541 54.840 -0.156 0.000 0.822 349 L CB 1.432 43.454 42.059 -0.061 0.000 1.256 349 L HN 0.623 nan 8.230 nan 0.000 0.413 350 R N 5.714 126.138 120.500 -0.127 0.000 2.288 350 R HA 0.448 4.819 4.340 0.051 0.000 0.326 350 R C 0.057 176.330 176.300 -0.046 0.000 0.959 350 R CA -0.460 55.579 56.100 -0.101 0.000 0.834 350 R CB 1.180 31.425 30.300 -0.093 0.000 1.157 350 R HN 0.746 nan 8.270 nan 0.000 0.470 351 L N 1.867 123.055 121.223 -0.059 0.000 2.640 351 L HA 0.085 4.455 4.340 0.051 0.000 0.230 351 L C 0.631 177.526 176.870 0.041 0.000 1.123 351 L CA 0.091 54.917 54.840 -0.025 0.000 0.900 351 L CB -0.378 41.617 42.059 -0.106 0.000 1.146 351 L HN 0.617 nan 8.230 nan 0.000 0.484 352 D N -0.554 119.852 120.400 0.011 0.000 2.530 352 D HA 0.089 4.760 4.640 0.051 0.000 0.282 352 D C 1.339 177.650 176.300 0.018 0.000 1.204 352 D CA 0.022 54.030 54.000 0.013 0.000 1.093 352 D CB 0.392 41.190 40.800 -0.004 0.000 1.154 352 D HN -0.106 nan 8.370 nan 0.000 0.593 353 G N -1.051 107.753 108.800 0.007 0.000 2.511 353 G HA2 0.230 4.220 3.960 0.051 0.000 0.217 353 G HA3 0.230 4.220 3.960 0.051 0.000 0.217 353 G C 0.816 175.720 174.900 0.007 0.000 1.133 353 G CA 0.755 45.857 45.100 0.005 0.000 0.792 353 G HN 0.732 nan 8.290 nan 0.000 0.539 354 A N -0.673 122.147 122.820 -0.001 0.000 2.366 354 A HA 0.508 4.858 4.320 0.051 0.000 0.250 354 A C 1.117 178.701 177.584 0.001 0.000 1.099 354 A CA 0.373 52.407 52.037 -0.004 0.000 0.794 354 A CB 0.651 19.640 19.000 -0.018 0.000 1.056 354 A HN 0.292 nan 8.150 nan 0.000 0.499 355 Q N -0.324 119.481 119.800 0.007 0.000 2.622 355 Q HA 0.212 4.582 4.340 0.051 0.000 0.208 355 Q C 1.117 177.126 176.000 0.015 0.000 0.911 355 Q CA 0.556 56.380 55.803 0.036 0.000 0.893 355 Q CB 0.342 29.121 28.738 0.068 0.000 1.124 355 Q HN 0.931 nan 8.270 nan 0.000 0.634 356 G N -0.246 108.565 108.800 0.019 0.000 2.563 356 G HA2 0.175 4.165 3.960 0.051 0.000 0.283 356 G HA3 0.175 4.165 3.960 0.051 0.000 0.283 356 G C -1.383 173.502 174.900 -0.025 0.000 1.309 356 G CA -0.646 44.477 45.100 0.038 0.000 1.022 356 G HN 0.221 nan 8.290 nan 0.000 0.501 357 W N 0.569 121.816 121.300 -0.089 0.000 2.368 357 W HA 0.393 5.082 4.660 0.048 0.000 0.316 357 W C -1.734 174.660 176.519 -0.207 0.000 1.375 357 W CA -1.243 56.013 57.345 -0.148 0.000 1.261 357 W CB 0.212 29.584 29.460 -0.146 0.000 1.298 357 W HN 0.215 nan 8.180 nan 0.000 0.539 358 P HA -0.128 nan 4.420 nan 0.000 0.260 358 P C 0.550 177.630 177.300 -0.366 0.000 1.172 358 P CA 0.619 63.535 63.100 -0.306 0.000 0.760 358 P CB 0.672 31.974 31.700 -0.664 0.000 0.773 359 E N 1.897 121.981 120.200 -0.192 0.000 2.110 359 E HA -0.190 4.190 4.350 0.051 0.000 0.193 359 E C 1.492 178.002 176.600 -0.150 0.000 0.988 359 E CA 1.130 57.465 56.400 -0.108 0.000 0.804 359 E CB -0.396 29.302 29.700 -0.003 0.000 0.745 359 E HN 0.634 nan 8.360 nan 0.000 0.458 360 F N -0.321 119.553 119.950 -0.126 0.000 2.269 360 F HA -0.062 4.496 4.527 0.051 0.000 0.301 360 F C 1.729 177.359 175.800 -0.283 0.000 1.082 360 F CA 0.668 58.551 58.000 -0.195 0.000 1.360 360 F CB -0.407 38.432 39.000 -0.268 0.000 1.041 360 F HN -0.092 nan 8.300 nan 0.000 0.512 361 L N 0.007 120.711 121.223 -0.864 0.000 2.095 361 L HA -0.003 4.368 4.340 0.051 0.000 0.204 361 L C 2.873 179.635 176.870 -0.180 0.000 1.080 361 L CA 1.027 55.583 54.840 -0.473 0.000 0.759 361 L CB -0.566 41.234 42.059 -0.431 0.000 0.914 361 L HN 0.121 nan 8.230 nan 0.000 0.439 362 R N 0.337 120.715 120.500 -0.204 0.000 2.080 362 R HA -0.187 4.184 4.340 0.051 0.000 0.236 362 R C 2.502 178.718 176.300 -0.141 0.000 1.137 362 R CA 1.676 57.632 56.100 -0.240 0.000 0.943 362 R CB -0.082 30.092 30.300 -0.211 0.000 0.846 362 R HN 0.183 nan 8.270 nan 0.000 0.431 363 R N -0.371 120.085 120.500 -0.072 0.000 2.080 363 R HA -0.124 4.246 4.340 0.051 0.000 0.236 363 R C 2.362 178.696 176.300 0.056 0.000 1.137 363 R CA 1.511 57.611 56.100 0.000 0.000 0.943 363 R CB -0.520 29.806 30.300 0.043 0.000 0.846 363 R HN 0.319 nan 8.270 nan 0.000 0.431 364 A N 0.972 123.857 122.820 0.109 0.000 1.958 364 A HA -0.206 4.144 4.320 0.051 0.000 0.221 364 A C 2.139 179.848 177.584 0.208 0.000 1.178 364 A CA 1.551 53.726 52.037 0.230 0.000 0.642 364 A CB -0.552 18.702 19.000 0.423 0.000 0.816 364 A HN 0.230 nan 8.150 nan 0.000 0.453 365 L N -1.147 120.167 121.223 0.152 0.000 2.162 365 L HA -0.037 4.333 4.340 0.051 0.000 0.205 365 L C 2.482 179.502 176.870 0.251 0.000 1.086 365 L CA 0.569 55.544 54.840 0.224 0.000 0.778 365 L CB -0.330 41.779 42.059 0.083 0.000 0.928 365 L HN 0.357 nan 8.230 nan 0.000 0.446 366 L N -0.218 121.058 121.223 0.088 0.000 1.994 366 L HA -0.252 4.118 4.340 0.051 0.000 0.208 366 L C 3.344 180.279 176.870 0.108 0.000 1.071 366 L CA 1.737 56.618 54.840 0.070 0.000 0.745 366 L CB -0.941 41.113 42.059 -0.008 0.000 0.892 366 L HN 0.244 nan 8.230 nan 0.000 0.431 367 R N 0.315 120.865 120.500 0.083 0.000 2.127 367 R HA -0.087 4.283 4.340 0.051 0.000 0.238 367 R C 2.174 178.484 176.300 0.016 0.000 1.134 367 R CA 1.767 57.898 56.100 0.053 0.000 0.975 367 R CB -1.607 28.731 30.300 0.064 0.000 0.865 367 R HN 0.556 nan 8.270 nan 0.000 0.447 368 A N -1.205 121.639 122.820 0.039 0.000 1.943 368 A HA 0.329 4.679 4.320 0.051 0.000 0.213 368 A C 2.121 179.548 177.584 -0.261 0.000 1.181 368 A CA 0.883 52.831 52.037 -0.149 0.000 0.653 368 A CB -0.111 18.856 19.000 -0.055 0.000 0.833 368 A HN 0.476 nan 8.150 nan 0.000 0.451 369 F N 0.291 120.213 119.950 -0.048 0.000 2.416 369 F HA 0.130 4.686 4.527 0.048 0.000 0.296 369 F C 2.481 178.260 175.800 -0.034 0.000 1.099 369 F CA 0.649 58.654 58.000 0.007 0.000 1.427 369 F CB -0.320 38.718 39.000 0.063 0.000 1.079 369 F HN 0.287 nan 8.300 nan 0.000 0.536 370 G N 0.086 108.961 108.800 0.124 0.000 2.552 370 G HA2 -0.304 3.687 3.960 0.051 0.000 0.216 370 G HA3 -0.304 3.687 3.960 0.051 0.000 0.216 370 G C 1.936 176.828 174.900 -0.014 0.000 1.240 370 G CA 0.931 46.058 45.100 0.046 0.000 0.796 370 G HN 0.389 nan 8.290 nan 0.000 0.568 371 A N 0.244 123.024 122.820 -0.067 0.000 2.104 371 A HA -0.057 4.294 4.320 0.051 0.000 0.223 371 A C 2.508 180.004 177.584 -0.146 0.000 1.164 371 A CA 2.503 54.471 52.037 -0.116 0.000 0.659 371 A CB -0.377 18.525 19.000 -0.164 0.000 0.808 371 A HN 0.380 nan 8.150 nan 0.000 0.465 372 S N -2.586 113.016 115.700 -0.163 0.000 2.503 372 S HA 0.380 4.881 4.470 0.051 0.000 0.215 372 S C 1.590 176.164 174.600 -0.043 0.000 1.003 372 S CA 0.809 58.921 58.200 -0.146 0.000 0.910 372 S CB 0.331 63.403 63.200 -0.214 0.000 0.790 372 S HN 1.681 nan 8.310 nan 0.000 0.514 373 G N 1.526 110.323 108.800 -0.006 0.000 2.205 373 G HA2 -0.226 3.764 3.960 0.051 0.000 0.261 373 G HA3 -0.226 3.764 3.960 0.051 0.000 0.261 373 G C 0.210 175.147 174.900 0.061 0.000 0.980 373 G CA 0.063 45.175 45.100 0.020 0.000 0.632 373 G HN 0.906 nan 8.290 nan 0.000 0.533 374 A N -0.221 122.668 122.820 0.116 0.000 2.286 374 A HA 0.812 5.162 4.320 0.051 0.000 0.286 374 A C 0.579 178.311 177.584 0.247 0.000 1.097 374 A CA 0.831 52.979 52.037 0.185 0.000 0.821 374 A CB 1.169 20.315 19.000 0.243 0.000 1.076 374 A HN 1.209 nan 8.150 nan 0.000 0.490 375 S N -0.141 115.656 115.700 0.161 0.000 2.480 375 S HA 0.541 5.042 4.470 0.051 0.000 0.286 375 S C -0.635 173.937 174.600 -0.045 0.000 1.180 375 S CA -0.436 57.799 58.200 0.059 0.000 1.075 375 S CB 0.280 63.491 63.200 0.019 0.000 0.996 375 S HN 0.663 nan 8.310 nan 0.000 0.487 376 L N 4.845 125.942 121.223 -0.210 0.000 2.334 376 L HA 0.687 5.057 4.340 0.051 0.000 0.272 376 L C -0.359 176.350 176.870 -0.268 0.000 1.020 376 L CA -0.187 54.376 54.840 -0.461 0.000 0.812 376 L CB 1.472 43.076 42.059 -0.759 0.000 1.264 376 L HN 0.686 nan 8.230 nan 0.000 0.439 377 R N 3.939 124.300 120.500 -0.232 0.000 2.575 377 R HA 0.566 4.936 4.340 0.051 0.000 0.293 377 R C -1.510 174.732 176.300 -0.097 0.000 0.983 377 R CA -0.674 55.354 56.100 -0.121 0.000 0.887 377 R CB 1.611 31.930 30.300 0.031 0.000 1.184 377 R HN 0.571 nan 8.270 nan 0.000 0.445 378 L N 5.046 126.163 121.223 -0.176 0.000 2.371 378 L HA 0.368 4.739 4.340 0.051 0.000 0.262 378 L C 0.125 177.019 176.870 0.039 0.000 1.054 378 L CA -0.454 54.255 54.840 -0.218 0.000 0.924 378 L CB 0.330 41.948 42.059 -0.735 0.000 1.295 378 L HN 0.549 nan 8.230 nan 0.000 0.441 379 H N 1.327 120.442 119.070 0.075 0.000 2.603 379 H HA 0.287 4.875 4.556 0.054 0.000 0.370 379 H C -0.305 175.149 175.328 0.211 0.000 1.225 379 H CA -0.044 56.066 56.048 0.102 0.000 1.410 379 H CB 1.578 31.362 29.762 0.038 0.000 1.495 379 H HN 0.309 nan 8.280 nan 0.000 0.602 380 T N 2.554 117.198 114.554 0.149 0.000 2.861 380 T HA 0.274 4.654 4.350 0.051 0.000 0.287 380 T C 0.000 174.539 174.700 -0.269 0.000 1.003 380 T CA -0.771 61.273 62.100 -0.093 0.000 0.977 380 T CB 1.103 69.838 68.868 -0.223 0.000 0.996 380 T HN 0.243 nan 8.240 nan 0.000 0.448 381 L N 4.148 125.218 121.223 -0.256 0.000 2.260 381 L HA 0.330 4.700 4.340 0.051 0.000 0.289 381 L C 0.028 176.775 176.870 -0.204 0.000 1.057 381 L CA -0.604 54.128 54.840 -0.180 0.000 0.811 381 L CB 0.404 42.408 42.059 -0.092 0.000 1.184 381 L HN 0.636 nan 8.230 nan 0.000 0.429 382 H N 4.114 123.215 119.070 0.051 0.000 2.638 382 H HA 0.623 5.210 4.556 0.051 0.000 0.242 382 H C -0.250 175.137 175.328 0.099 0.000 1.610 382 H CA -0.098 55.987 56.048 0.062 0.000 1.275 382 H CB 0.738 30.526 29.762 0.043 0.000 1.583 382 H HN 0.698 nan 8.280 nan 0.000 0.556 383 A N 1.931 124.900 122.820 0.249 0.000 2.583 383 A HA 0.369 4.720 4.320 0.051 0.000 0.292 383 A C -1.652 176.151 177.584 0.366 0.000 1.045 383 A CA -0.704 51.530 52.037 0.327 0.000 0.672 383 A CB 1.900 21.120 19.000 0.366 0.000 1.283 383 A HN 0.579 nan 8.150 nan 0.000 0.419 384 H N 1.066 120.230 119.070 0.156 0.000 2.679 384 H HA 0.458 5.045 4.556 0.052 0.000 0.367 384 H C -2.155 172.820 175.328 -0.588 0.000 1.162 384 H CA -1.734 54.217 56.048 -0.163 0.000 1.181 384 H CB 2.708 32.407 29.762 -0.106 0.000 1.693 384 H HN 0.282 nan 8.280 nan 0.000 0.538 385 P HA -0.062 nan 4.420 nan 0.000 0.223 385 P C 1.289 178.401 177.300 -0.312 0.000 1.151 385 P CA 1.635 64.023 63.100 -1.187 0.000 0.787 385 P CB -0.064 31.073 31.700 -0.937 0.000 0.788 386 S N 0.048 115.770 115.700 0.036 0.000 2.493 386 S HA -0.228 4.273 4.470 0.051 0.000 0.243 386 S C 1.834 176.456 174.600 0.038 0.000 0.991 386 S CA 1.218 59.465 58.200 0.078 0.000 0.957 386 S CB -0.953 62.303 63.200 0.094 0.000 0.756 386 S HN 0.314 nan 8.310 nan 0.000 0.521 387 Q N -0.153 119.682 119.800 0.058 0.000 2.435 387 Q HA 0.323 4.693 4.340 0.051 0.000 0.207 387 Q C 1.482 177.535 176.000 0.089 0.000 0.956 387 Q CA 0.107 55.963 55.803 0.088 0.000 0.917 387 Q CB -0.121 28.707 28.738 0.149 0.000 0.997 387 Q HN 0.753 nan 8.270 nan 0.000 0.497 388 G N 0.952 109.802 108.800 0.083 0.000 2.525 388 G HA2 -0.363 3.627 3.960 0.051 0.000 0.248 388 G HA3 -0.363 3.627 3.960 0.051 0.000 0.248 388 G C 0.476 175.452 174.900 0.127 0.000 1.238 388 G CA -0.027 45.123 45.100 0.084 0.000 0.926 388 G HN 0.240 nan 8.290 nan 0.000 0.574 389 L N 0.624 121.901 121.223 0.090 0.000 2.137 389 L HA -0.163 4.208 4.340 0.051 0.000 0.213 389 L C 3.470 180.392 176.870 0.086 0.000 1.085 389 L CA 2.369 57.257 54.840 0.081 0.000 0.760 389 L CB -0.793 41.297 42.059 0.052 0.000 0.893 389 L HN 0.895 nan 8.230 nan 0.000 0.434 390 A N -0.570 122.307 122.820 0.095 0.000 2.019 390 A HA -0.257 4.094 4.320 0.051 0.000 0.219 390 A C 2.100 179.754 177.584 0.117 0.000 1.164 390 A CA 1.377 53.467 52.037 0.087 0.000 0.644 390 A CB -0.681 18.370 19.000 0.085 0.000 0.805 390 A HN 0.443 nan 8.150 nan 0.000 0.449 391 F N 0.319 120.277 119.950 0.014 0.000 2.146 391 F HA -0.063 4.494 4.527 0.051 0.000 0.298 391 F C 2.295 178.091 175.800 -0.006 0.000 1.096 391 F CA 1.706 59.709 58.000 0.005 0.000 1.275 391 F CB -0.240 38.760 39.000 -0.001 0.000 1.008 391 F HN 0.166 nan 8.300 nan 0.000 0.480 392 R N 0.253 120.744 120.500 -0.015 0.000 2.096 392 R HA -0.214 4.156 4.340 0.051 0.000 0.235 392 R C 2.181 178.399 176.300 -0.135 0.000 1.127 392 R CA 1.718 57.749 56.100 -0.116 0.000 0.968 392 R CB -0.383 29.915 30.300 -0.003 0.000 0.861 392 R HN 0.323 nan 8.270 nan 0.000 0.440 393 E N 0.389 120.545 120.200 -0.073 0.000 2.110 393 E HA -0.132 4.248 4.350 0.051 0.000 0.193 393 E C 1.599 178.139 176.600 -0.099 0.000 0.988 393 E CA 1.568 57.931 56.400 -0.062 0.000 0.804 393 E CB -0.158 29.530 29.700 -0.020 0.000 0.745 393 E HN 0.401 nan 8.360 nan 0.000 0.458 394 A N 0.229 122.958 122.820 -0.151 0.000 1.972 394 A HA -0.118 4.232 4.320 0.051 0.000 0.219 394 A C 2.199 179.643 177.584 -0.232 0.000 1.169 394 A CA 1.416 53.347 52.037 -0.177 0.000 0.635 394 A CB -0.553 18.317 19.000 -0.216 0.000 0.810 394 A HN 0.342 nan 8.150 nan 0.000 0.446 395 L N -1.545 119.483 121.223 -0.324 0.000 2.068 395 L HA -0.060 4.310 4.340 0.051 0.000 0.204 395 L C 2.685 179.457 176.870 -0.165 0.000 1.076 395 L CA 1.296 55.967 54.840 -0.282 0.000 0.753 395 L CB -0.575 41.290 42.059 -0.324 0.000 0.910 395 L HN 0.393 nan 8.230 nan 0.000 0.439 396 R N 0.992 121.413 120.500 -0.132 0.000 2.119 396 R HA -0.244 4.126 4.340 0.051 0.000 0.246 396 R C 2.217 178.476 176.300 -0.069 0.000 1.146 396 R CA 1.896 57.947 56.100 -0.083 0.000 0.962 396 R CB -0.056 30.207 30.300 -0.061 0.000 0.863 396 R HN 0.326 nan 8.270 nan 0.000 0.442 397 K N -0.661 119.697 120.400 -0.069 0.000 2.062 397 K HA -0.016 4.335 4.320 0.051 0.000 0.205 397 K C 2.096 178.669 176.600 -0.046 0.000 1.051 397 K CA 1.126 57.387 56.287 -0.043 0.000 0.941 397 K CB -0.076 32.408 32.500 -0.026 0.000 0.719 397 K HN 0.210 nan 8.250 nan 0.000 0.440 398 A N 1.638 124.414 122.820 -0.074 0.000 1.902 398 A HA -0.203 4.148 4.320 0.051 0.000 0.217 398 A C 2.014 179.515 177.584 -0.138 0.000 1.181 398 A CA 1.734 53.709 52.037 -0.103 0.000 0.623 398 A CB -0.299 18.625 19.000 -0.126 0.000 0.818 398 A HN 0.094 nan 8.150 nan 0.000 0.443 399 K N 0.251 120.585 120.400 -0.111 0.000 2.211 399 K HA -0.127 4.223 4.320 0.051 0.000 0.203 399 K C 1.772 178.328 176.600 -0.073 0.000 1.050 399 K CA 1.693 57.923 56.287 -0.095 0.000 0.945 399 K CB -0.161 32.292 32.500 -0.077 0.000 0.732 399 K HN 0.439 nan 8.250 nan 0.000 0.451 400 E N 1.164 121.329 120.200 -0.058 0.000 2.072 400 E HA -0.120 4.260 4.350 0.051 0.000 0.191 400 E C 0.490 177.074 176.600 -0.027 0.000 0.985 400 E CA 1.428 57.807 56.400 -0.035 0.000 0.801 400 E CB 0.003 29.689 29.700 -0.023 0.000 0.750 400 E HN 0.455 nan 8.360 nan 0.000 0.452 401 E N -0.552 119.631 120.200 -0.028 0.000 2.321 401 E HA 0.208 4.589 4.350 0.051 0.000 0.189 401 E C 0.369 176.933 176.600 -0.061 0.000 1.125 401 E CA 0.307 56.714 56.400 0.012 0.000 1.005 401 E CB -0.064 29.720 29.700 0.140 0.000 1.140 401 E HN 0.393 nan 8.360 nan 0.000 0.457 402 G N 0.931 109.679 108.800 -0.087 0.000 2.221 402 G HA2 -0.290 3.700 3.960 0.051 0.000 0.265 402 G HA3 -0.290 3.700 3.960 0.051 0.000 0.265 402 G C 0.331 175.129 174.900 -0.169 0.000 1.041 402 G CA 0.024 45.066 45.100 -0.096 0.000 0.807 402 G HN 0.224 nan 8.290 nan 0.000 0.502 403 V N -0.251 119.510 119.914 -0.255 0.000 2.715 403 V HA 0.249 4.399 4.120 0.051 0.000 0.299 403 V C 1.296 177.313 176.094 -0.128 0.000 1.054 403 V CA 0.903 63.048 62.300 -0.257 0.000 1.077 403 V CB 1.583 33.219 31.823 -0.311 0.000 0.972 403 V HN 0.576 nan 8.190 nan 0.000 0.484 404 Q N 2.496 122.244 119.800 -0.085 0.000 2.280 404 Q HA 0.579 4.949 4.340 0.051 0.000 0.228 404 Q C 0.217 176.202 176.000 -0.026 0.000 0.857 404 Q CA 0.546 56.323 55.803 -0.044 0.000 0.939 404 Q CB 1.345 30.067 28.738 -0.026 0.000 1.114 404 Q HN 0.890 nan 8.270 nan 0.000 0.514 405 A N 0.234 123.038 122.820 -0.028 0.000 2.583 405 A HA 0.594 4.945 4.320 0.051 0.000 0.292 405 A C -1.902 175.677 177.584 -0.008 0.000 1.045 405 A CA -0.605 51.425 52.037 -0.013 0.000 0.672 405 A CB 1.357 20.358 19.000 0.002 0.000 1.283 405 A HN 0.077 nan 8.150 nan 0.000 0.419 406 V N 1.098 121.005 119.914 -0.012 0.000 2.735 406 V HA 0.853 5.003 4.120 0.051 0.000 0.310 406 V C -1.194 174.887 176.094 -0.021 0.000 1.061 406 V CA -0.746 61.546 62.300 -0.015 0.000 0.913 406 V CB 1.532 33.328 31.823 -0.045 0.000 1.005 406 V HN 1.582 nan 8.190 nan 0.000 0.428 407 L N 6.208 127.407 121.223 -0.041 0.000 2.334 407 L HA 0.776 5.146 4.340 0.051 0.000 0.277 407 L C -0.672 176.105 176.870 -0.154 0.000 1.075 407 L CA 0.189 54.980 54.840 -0.082 0.000 0.804 407 L CB 1.775 43.779 42.059 -0.092 0.000 1.174 407 L HN 0.614 nan 8.230 nan 0.000 0.438 408 V N 6.323 126.165 119.914 -0.121 0.000 2.419 408 V HA 0.351 4.501 4.120 0.051 0.000 0.287 408 V C -0.187 175.836 176.094 -0.118 0.000 1.017 408 V CA -0.567 61.658 62.300 -0.125 0.000 0.844 408 V CB 1.249 33.019 31.823 -0.090 0.000 1.011 408 V HN 0.595 nan 8.190 nan 0.000 0.429 409 L N 4.228 125.362 121.223 -0.148 0.000 2.290 409 L HA 0.745 5.115 4.340 0.051 0.000 0.284 409 L C 0.307 177.125 176.870 -0.086 0.000 1.078 409 L CA 0.415 55.188 54.840 -0.112 0.000 0.815 409 L CB 1.428 43.402 42.059 -0.142 0.000 1.162 409 L HN 0.740 nan 8.230 nan 0.000 0.435 410 T N 3.953 118.472 114.554 -0.059 0.000 2.977 410 T HA 0.361 4.741 4.350 0.051 0.000 0.345 410 T C -2.879 171.801 174.700 -0.033 0.000 1.562 410 T CA -1.027 61.043 62.100 -0.051 0.000 1.090 410 T CB 2.029 70.856 68.868 -0.069 0.000 1.383 410 T HN 0.251 nan 8.240 nan 0.000 0.484 411 P HA 0.289 nan 4.420 nan 0.000 0.270 411 P C -2.726 174.559 177.300 -0.025 0.000 1.223 411 P CA -1.249 61.843 63.100 -0.014 0.000 0.785 411 P CB -0.919 30.777 31.700 -0.007 0.000 0.923 412 P HA -0.002 nan 4.420 nan 0.000 0.255 412 P C 0.240 177.514 177.300 -0.044 0.000 1.161 412 P CA 1.241 64.320 63.100 -0.034 0.000 0.768 412 P CB -0.171 31.519 31.700 -0.018 0.000 0.746 413 M N 2.413 121.969 119.600 -0.073 0.000 2.202 413 M HA 0.400 4.910 4.480 0.051 0.000 0.316 413 M C 0.808 177.061 176.300 -0.079 0.000 1.138 413 M CA -0.403 54.850 55.300 -0.077 0.000 1.151 413 M CB 0.757 33.294 32.600 -0.106 0.000 1.422 413 M HN 0.244 nan 8.290 nan 0.000 0.471 414 A N 0.547 123.345 122.820 -0.036 0.000 2.302 414 A HA 0.200 4.551 4.320 0.051 0.000 0.285 414 A C 0.213 177.813 177.584 0.027 0.000 1.105 414 A CA -0.512 51.536 52.037 0.018 0.000 0.816 414 A CB 0.110 19.145 19.000 0.058 0.000 1.067 414 A HN 1.070 nan 8.150 nan 0.000 0.489 415 W N 0.126 121.431 121.300 0.007 0.000 2.290 415 W HA -0.267 4.421 4.660 0.047 0.000 0.323 415 W C 2.163 178.684 176.519 0.004 0.000 1.260 415 W CA 2.345 59.695 57.345 0.008 0.000 1.266 415 W CB 0.123 29.590 29.460 0.012 0.000 1.149 415 W HN 0.935 nan 8.180 nan 0.000 0.482 416 E N -0.108 120.259 120.200 0.278 0.000 2.110 416 E HA -0.229 4.152 4.350 0.051 0.000 0.193 416 E C 1.583 178.242 176.600 0.099 0.000 0.988 416 E CA 1.704 58.208 56.400 0.173 0.000 0.804 416 E CB -0.175 29.597 29.700 0.120 0.000 0.745 416 E HN 0.271 nan 8.360 nan 0.000 0.458 417 D N 0.263 120.698 120.400 0.058 0.000 2.110 417 D HA -0.162 4.509 4.640 0.051 0.000 0.202 417 D C 2.041 178.328 176.300 -0.022 0.000 0.975 417 D CA 0.388 54.392 54.000 0.006 0.000 0.839 417 D CB -0.504 40.286 40.800 -0.016 0.000 0.996 417 D HN 0.080 nan 8.370 nan 0.000 0.464 418 R N 1.477 121.948 120.500 -0.048 0.000 2.136 418 R HA -0.205 4.166 4.340 0.051 0.000 0.242 418 R C 1.639 177.904 176.300 -0.059 0.000 1.131 418 R CA 1.693 57.730 56.100 -0.105 0.000 0.937 418 R CB -0.779 29.377 30.300 -0.240 0.000 0.863 418 R HN 0.105 nan 8.270 nan 0.000 0.435 419 N N 0.583 119.299 118.700 0.025 0.000 2.104 419 N HA -0.191 4.580 4.740 0.051 0.000 0.190 419 N C 1.895 177.402 175.510 -0.005 0.000 1.024 419 N CA 1.575 54.664 53.050 0.064 0.000 0.853 419 N CB -0.520 38.075 38.487 0.182 0.000 1.008 419 N HN 0.340 nan 8.380 nan 0.000 0.424 420 R N 0.189 120.688 120.500 -0.001 0.000 2.096 420 R HA -0.071 4.300 4.340 0.051 0.000 0.235 420 R C 1.913 178.174 176.300 -0.065 0.000 1.127 420 R CA 0.850 56.932 56.100 -0.029 0.000 0.968 420 R CB -0.247 30.049 30.300 -0.006 0.000 0.861 420 R HN 0.185 nan 8.270 nan 0.000 0.440 421 L N 1.268 122.454 121.223 -0.062 0.000 2.044 421 L HA -0.082 4.288 4.340 0.051 0.000 0.205 421 L C 1.874 178.705 176.870 -0.066 0.000 1.075 421 L CA 1.808 56.611 54.840 -0.060 0.000 0.747 421 L CB -0.472 41.541 42.059 -0.078 0.000 0.903 421 L HN -0.026 nan 8.230 nan 0.000 0.435 422 K N 0.026 120.378 120.400 -0.080 0.000 2.074 422 K HA -0.142 4.208 4.320 0.051 0.000 0.209 422 K C 2.008 178.513 176.600 -0.158 0.000 1.048 422 K CA 1.598 57.831 56.287 -0.090 0.000 0.926 422 K CB -0.547 31.914 32.500 -0.065 0.000 0.713 422 K HN 0.519 nan 8.250 nan 0.000 0.444 423 A N 1.141 123.821 122.820 -0.234 0.000 1.968 423 A HA -0.108 4.243 4.320 0.051 0.000 0.217 423 A C 2.088 179.411 177.584 -0.434 0.000 1.169 423 A CA 0.762 52.493 52.037 -0.509 0.000 0.638 423 A CB -0.340 18.224 19.000 -0.727 0.000 0.812 423 A HN 0.211 nan 8.150 nan 0.000 0.446 424 L N 0.244 121.340 121.223 -0.213 0.000 1.994 424 L HA -0.120 4.251 4.340 0.051 0.000 0.208 424 L C 2.274 179.111 176.870 -0.055 0.000 1.071 424 L CA 1.819 56.611 54.840 -0.080 0.000 0.745 424 L CB -0.737 41.331 42.059 0.015 0.000 0.892 424 L HN 0.407 nan 8.230 nan 0.000 0.431 425 L N -1.300 119.892 121.223 -0.052 0.000 2.012 425 L HA -0.237 4.133 4.340 0.051 0.000 0.210 425 L C 2.539 179.360 176.870 -0.081 0.000 1.073 425 L CA 0.849 55.654 54.840 -0.059 0.000 0.748 425 L CB -0.909 41.121 42.059 -0.049 0.000 0.891 425 L HN 0.289 nan 8.230 nan 0.000 0.431 426 L N -0.067 121.085 121.223 -0.118 0.000 2.189 426 L HA -0.184 4.187 4.340 0.051 0.000 0.214 426 L C 2.685 179.515 176.870 -0.066 0.000 1.097 426 L CA 1.567 56.326 54.840 -0.136 0.000 0.764 426 L CB -0.889 41.021 42.059 -0.248 0.000 0.900 426 L HN 0.178 nan 8.230 nan 0.000 0.436 427 R N -0.711 119.768 120.500 -0.036 0.000 2.189 427 R HA -0.073 4.297 4.340 0.051 0.000 0.223 427 R C 1.126 177.425 176.300 -0.003 0.000 1.092 427 R CA 0.577 56.691 56.100 0.024 0.000 0.989 427 R CB -0.010 30.334 30.300 0.073 0.000 0.876 427 R HN 0.321 nan 8.270 nan 0.000 0.457 428 E N -0.525 119.656 120.200 -0.031 0.000 2.463 428 E HA 0.088 4.468 4.350 0.051 0.000 0.193 428 E C 0.722 177.299 176.600 -0.039 0.000 1.041 428 E CA 0.158 56.533 56.400 -0.041 0.000 0.879 428 E CB 0.988 30.644 29.700 -0.073 0.000 0.997 428 E HN 0.473 nan 8.360 nan 0.000 0.478 429 G N 1.273 110.055 108.800 -0.030 0.000 2.136 429 G HA2 -0.267 3.723 3.960 0.051 0.000 0.242 429 G HA3 -0.267 3.723 3.960 0.051 0.000 0.242 429 G C 0.125 175.013 174.900 -0.020 0.000 0.989 429 G CA 0.131 45.223 45.100 -0.013 0.000 0.682 429 G HN 0.222 nan 8.290 nan 0.000 0.522 430 L N 0.943 122.139 121.223 -0.044 0.000 2.324 430 L HA 0.396 4.767 4.340 0.051 0.000 0.274 430 L C -2.238 174.606 176.870 -0.042 0.000 1.012 430 L CA -2.236 52.578 54.840 -0.044 0.000 0.859 430 L CB 1.865 43.885 42.059 -0.066 0.000 1.224 430 L HN -0.162 nan 8.230 nan 0.000 0.429 431 P HA 0.067 nan 4.420 nan 0.000 0.266 431 P C -0.764 176.531 177.300 -0.008 0.000 1.195 431 P CA 0.042 63.147 63.100 0.009 0.000 0.768 431 P CB 0.892 32.622 31.700 0.051 0.000 0.838 432 S N 1.494 117.188 115.700 -0.010 0.000 2.542 432 S HA 0.658 5.159 4.470 0.051 0.000 0.293 432 S C -1.008 173.581 174.600 -0.017 0.000 1.089 432 S CA -0.812 57.376 58.200 -0.020 0.000 0.961 432 S CB 1.900 65.081 63.200 -0.032 0.000 1.062 432 S HN 0.338 nan 8.310 nan 0.000 0.483 433 Q N 1.736 121.524 119.800 -0.019 0.000 2.320 433 Q HA 0.603 4.973 4.340 0.051 0.000 0.268 433 Q C -1.671 174.316 176.000 -0.021 0.000 1.023 433 Q CA -0.391 55.403 55.803 -0.014 0.000 0.744 433 Q CB 0.760 29.499 28.738 0.001 0.000 1.246 433 Q HN 0.736 nan 8.270 nan 0.000 0.462 434 I N 3.709 124.260 120.570 -0.032 0.000 2.529 434 I HA 0.277 4.478 4.170 0.051 0.000 0.284 434 I C -0.671 175.439 176.117 -0.012 0.000 1.082 434 I CA -0.354 60.921 61.300 -0.041 0.000 1.406 434 I CB 0.970 38.930 38.000 -0.067 0.000 1.405 434 I HN 0.634 nan 8.210 nan 0.000 0.548 435 L N 7.509 128.727 121.223 -0.009 0.000 2.404 435 L HA 0.524 4.894 4.340 0.051 0.000 0.272 435 L C -0.733 176.146 176.870 0.015 0.000 0.980 435 L CA -0.393 54.465 54.840 0.031 0.000 0.836 435 L CB 1.017 43.109 42.059 0.055 0.000 1.238 435 L HN 0.444 nan 8.230 nan 0.000 0.408 436 N N 2.961 121.678 118.700 0.027 0.000 2.503 436 N HA 0.206 4.976 4.740 0.051 0.000 0.267 436 N C 0.960 176.487 175.510 0.029 0.000 1.214 436 N CA -0.288 52.770 53.050 0.014 0.000 0.959 436 N CB 1.873 40.367 38.487 0.011 0.000 1.142 436 N HN 0.505 nan 8.380 nan 0.000 0.455 437 V N 2.168 122.090 119.914 0.013 0.000 2.283 437 V HA -0.050 4.100 4.120 0.051 0.000 0.243 437 V C -1.573 174.540 176.094 0.032 0.000 1.039 437 V CA 1.143 63.451 62.300 0.013 0.000 1.016 437 V CB -0.944 30.878 31.823 -0.001 0.000 0.650 437 V HN 0.686 nan 8.190 nan 0.000 0.449 438 P HA 0.215 nan 4.420 nan 0.000 0.264 438 P C -0.979 176.361 177.300 0.066 0.000 1.236 438 P CA 0.660 63.785 63.100 0.043 0.000 0.811 438 P CB 0.214 31.935 31.700 0.035 0.000 0.840 439 L N 4.908 126.181 121.223 0.083 0.000 2.436 439 L HA 0.562 4.932 4.340 0.051 0.000 0.268 439 L C -0.694 176.245 176.870 0.114 0.000 0.974 439 L CA -0.569 54.348 54.840 0.129 0.000 0.826 439 L CB 1.811 43.968 42.059 0.163 0.000 1.291 439 L HN 0.233 nan 8.230 nan 0.000 0.406 440 R N 3.383 123.933 120.500 0.084 0.000 2.744 440 R HA 0.431 4.801 4.340 0.051 0.000 0.279 440 R C 0.267 176.466 176.300 -0.167 0.000 0.977 440 R CA -0.795 55.281 56.100 -0.039 0.000 0.906 440 R CB 1.641 31.935 30.300 -0.009 0.000 1.197 440 R HN 0.615 nan 8.270 nan 0.000 0.463 441 E N 1.913 121.807 120.200 -0.509 0.000 2.187 441 E HA -0.260 4.120 4.350 0.051 0.000 0.199 441 E C 1.198 177.821 176.600 0.038 0.000 1.004 441 E CA 1.809 57.859 56.400 -0.583 0.000 0.813 441 E CB 0.244 29.602 29.700 -0.568 0.000 0.736 441 E HN 0.604 nan 8.360 nan 0.000 0.468 442 E N 0.923 121.117 120.200 -0.011 0.000 2.274 442 E HA -0.140 4.240 4.350 0.051 0.000 0.194 442 E C 0.309 176.915 176.600 0.011 0.000 0.996 442 E CA 0.563 56.964 56.400 0.002 0.000 0.840 442 E CB -0.317 29.375 29.700 -0.013 0.000 0.772 442 E HN 0.305 nan 8.360 nan 0.000 0.491 443 E N 1.657 121.913 120.200 0.094 0.000 2.860 443 E HA 0.059 4.439 4.350 0.051 0.000 0.318 443 E C 1.052 177.617 176.600 -0.059 0.000 1.481 443 E CA -0.240 56.215 56.400 0.093 0.000 1.613 443 E CB -0.000 29.807 29.700 0.179 0.000 1.279 443 E HN 0.167 nan 8.360 nan 0.000 0.489 444 R N -0.031 120.252 120.500 -0.361 0.000 2.090 444 R HA -0.121 4.249 4.340 0.051 0.000 0.228 444 R C 1.193 176.920 176.300 -0.955 0.000 1.110 444 R CA 1.261 56.802 56.100 -0.933 0.000 0.973 444 R CB 0.108 29.947 30.300 -0.768 0.000 0.869 444 R HN 0.477 nan 8.270 nan 0.000 0.440 445 H N -0.788 118.023 119.070 -0.431 0.000 2.389 445 H HA 0.015 4.601 4.556 0.050 0.000 0.299 445 H C 2.162 177.456 175.328 -0.057 0.000 1.081 445 H CA 0.963 56.818 56.048 -0.321 0.000 1.345 445 H CB 0.088 29.588 29.762 -0.436 0.000 1.393 445 H HN -0.003 nan 8.280 nan 0.000 0.520 446 R N 0.916 121.443 120.500 0.046 0.000 2.103 446 R HA -0.156 4.215 4.340 0.051 0.000 0.234 446 R C 2.238 178.642 176.300 0.173 0.000 1.132 446 R CA 1.951 58.127 56.100 0.126 0.000 0.925 446 R CB -0.736 29.665 30.300 0.167 0.000 0.842 446 R HN 0.642 nan 8.270 nan 0.000 0.430 447 W N 0.861 122.253 121.300 0.154 0.000 2.519 447 W HA -0.007 4.683 4.660 0.049 0.000 0.266 447 W C 1.006 177.630 176.519 0.175 0.000 1.253 447 W CA 0.239 57.686 57.345 0.170 0.000 1.274 447 W CB -0.478 29.123 29.460 0.235 0.000 1.114 447 W HN 0.162 nan 8.180 nan 0.000 0.596 448 E N 1.081 121.251 120.200 -0.051 0.000 2.107 448 E HA -0.163 4.218 4.350 0.051 0.000 0.191 448 E C 1.887 178.536 176.600 0.081 0.000 0.982 448 E CA 0.969 57.374 56.400 0.008 0.000 0.809 448 E CB -0.196 29.439 29.700 -0.108 0.000 0.756 448 E HN 0.107 nan 8.360 nan 0.000 0.459 449 N N 0.798 119.564 118.700 0.111 0.000 2.223 449 N HA -0.102 4.668 4.740 0.051 0.000 0.185 449 N C 1.542 177.092 175.510 0.067 0.000 1.016 449 N CA 1.104 54.187 53.050 0.055 0.000 0.863 449 N CB -0.186 38.367 38.487 0.110 0.000 0.983 449 N HN 0.128 nan 8.380 nan 0.000 0.429 450 A N 0.088 122.989 122.820 0.134 0.000 1.930 450 A HA -0.041 4.309 4.320 0.051 0.000 0.217 450 A C 2.037 179.701 177.584 0.133 0.000 1.175 450 A CA 0.861 52.978 52.037 0.135 0.000 0.627 450 A CB -0.387 18.728 19.000 0.191 0.000 0.815 450 A HN 0.129 nan 8.150 nan 0.000 0.443 451 L N -0.326 121.008 121.223 0.186 0.000 2.072 451 L HA -0.028 4.343 4.340 0.051 0.000 0.205 451 L C 2.476 179.401 176.870 0.092 0.000 1.079 451 L CA 1.274 56.230 54.840 0.193 0.000 0.752 451 L CB -0.876 41.360 42.059 0.294 0.000 0.906 451 L HN 0.357 nan 8.230 nan 0.000 0.436 452 L N -1.065 120.178 121.223 0.034 0.000 2.012 452 L HA -0.197 4.173 4.340 0.051 0.000 0.210 452 L C 2.507 179.316 176.870 -0.101 0.000 1.073 452 L CA 1.578 56.381 54.840 -0.062 0.000 0.748 452 L CB -1.381 40.605 42.059 -0.122 0.000 0.891 452 L HN 0.420 nan 8.230 nan 0.000 0.431 453 G N -0.178 108.577 108.800 -0.074 0.000 2.440 453 G HA2 -0.256 3.735 3.960 0.051 0.000 0.218 453 G HA3 -0.256 3.735 3.960 0.051 0.000 0.218 453 G C 1.651 176.511 174.900 -0.067 0.000 1.154 453 G CA 0.559 45.606 45.100 -0.088 0.000 0.767 453 G HN 0.247 nan 8.290 nan 0.000 0.552 454 L N -0.123 121.093 121.223 -0.012 0.000 2.017 454 L HA 0.008 4.379 4.340 0.051 0.000 0.208 454 L C 2.897 179.756 176.870 -0.018 0.000 1.073 454 L CA 1.115 55.962 54.840 0.012 0.000 0.745 454 L CB -0.195 41.912 42.059 0.080 0.000 0.894 454 L HN 0.242 nan 8.230 nan 0.000 0.432 455 L N -0.565 120.630 121.223 -0.047 0.000 2.093 455 L HA -0.153 4.217 4.340 0.051 0.000 0.208 455 L C 2.818 179.584 176.870 -0.174 0.000 1.085 455 L CA 1.028 55.793 54.840 -0.125 0.000 0.755 455 L CB -0.767 41.129 42.059 -0.273 0.000 0.904 455 L HN 0.263 nan 8.230 nan 0.000 0.435 456 A N 0.287 122.998 122.820 -0.181 0.000 1.902 456 A HA -0.219 4.132 4.320 0.051 0.000 0.217 456 A C 2.314 179.809 177.584 -0.148 0.000 1.181 456 A CA 1.706 53.631 52.037 -0.187 0.000 0.623 456 A CB -0.343 18.522 19.000 -0.226 0.000 0.818 456 A HN 0.307 nan 8.150 nan 0.000 0.443 457 K N -0.393 119.935 120.400 -0.120 0.000 2.283 457 K HA 0.084 4.435 4.320 0.051 0.000 0.202 457 K C 1.964 178.545 176.600 -0.031 0.000 1.048 457 K CA 0.827 57.069 56.287 -0.075 0.000 0.948 457 K CB -0.174 32.295 32.500 -0.053 0.000 0.742 457 K HN 0.454 nan 8.250 nan 0.000 0.458 458 A N -0.013 122.782 122.820 -0.041 0.000 2.072 458 A HA 0.156 4.506 4.320 0.051 0.000 0.216 458 A C 1.509 179.074 177.584 -0.032 0.000 1.156 458 A CA 1.173 53.197 52.037 -0.022 0.000 0.701 458 A CB -0.058 18.940 19.000 -0.003 0.000 0.816 458 A HN 0.379 nan 8.150 nan 0.000 0.458 459 G N -2.411 106.351 108.800 -0.063 0.000 2.183 459 G HA2 -0.070 3.921 3.960 0.051 0.000 0.168 459 G HA3 -0.070 3.921 3.960 0.051 0.000 0.168 459 G C -0.242 174.592 174.900 -0.111 0.000 1.008 459 G CA -0.101 44.955 45.100 -0.073 0.000 0.677 459 G HN 0.265 nan 8.290 nan 0.000 0.498 460 L N 0.951 122.087 121.223 -0.145 0.000 2.371 460 L HA 0.609 4.980 4.340 0.051 0.000 0.272 460 L C 0.693 177.454 176.870 -0.182 0.000 1.124 460 L CA -0.460 54.263 54.840 -0.195 0.000 0.816 460 L CB 1.466 43.299 42.059 -0.376 0.000 1.129 460 L HN 0.241 nan 8.230 nan 0.000 0.448 461 Q N 1.817 121.563 119.800 -0.091 0.000 2.344 461 Q HA 0.218 4.588 4.340 0.051 0.000 0.253 461 Q C 0.284 176.290 176.000 0.010 0.000 1.050 461 Q CA 0.052 55.853 55.803 -0.004 0.000 0.912 461 Q CB 0.932 29.782 28.738 0.187 0.000 1.258 461 Q HN 0.534 nan 8.270 nan 0.000 0.443 462 V N 4.005 123.877 119.914 -0.070 0.000 2.239 462 V HA -0.030 4.120 4.120 0.051 0.000 0.242 462 V C 0.888 177.066 176.094 0.140 0.000 1.038 462 V CA 1.443 63.745 62.300 0.004 0.000 1.002 462 V CB -0.698 31.077 31.823 -0.080 0.000 0.641 462 V HN 0.698 nan 8.190 nan 0.000 0.449 463 V N -3.379 116.555 119.914 0.032 0.000 3.141 463 V HA 1.032 5.182 4.120 0.051 0.000 0.312 463 V C -0.650 175.331 176.094 -0.188 0.000 1.157 463 V CA -0.286 62.016 62.300 0.005 0.000 1.041 463 V CB 1.624 33.455 31.823 0.013 0.000 1.071 463 V HN 0.581 nan 8.190 nan 0.000 0.441 464 A N 1.514 124.146 122.820 -0.314 0.000 2.568 464 A HA 0.860 5.210 4.320 0.051 0.000 0.291 464 A C -1.491 175.934 177.584 -0.265 0.000 1.159 464 A CA -0.886 50.855 52.037 -0.493 0.000 0.679 464 A CB 1.416 19.652 19.000 -1.273 0.000 1.285 464 A HN 1.110 nan 8.150 nan 0.000 0.428 465 L N 1.950 123.056 121.223 -0.195 0.000 2.272 465 L HA 0.464 4.834 4.340 0.051 0.000 0.289 465 L C 0.542 177.455 176.870 0.071 0.000 1.032 465 L CA -0.520 54.299 54.840 -0.034 0.000 0.810 465 L CB 1.683 43.743 42.059 0.003 0.000 1.205 465 L HN 0.755 nan 8.230 nan 0.000 0.422 466 S N 2.001 117.758 115.700 0.094 0.000 2.465 466 S HA 0.825 5.325 4.470 0.051 0.000 0.279 466 S C 0.099 174.778 174.600 0.132 0.000 1.201 466 S CA -0.154 58.118 58.200 0.120 0.000 1.053 466 S CB 1.287 64.543 63.200 0.094 0.000 0.953 466 S HN 0.957 nan 8.310 nan 0.000 0.488 467 G N 0.991 109.863 108.800 0.120 0.000 2.321 467 G HA2 0.566 4.557 3.960 0.051 0.000 0.298 467 G HA3 0.566 4.557 3.960 0.051 0.000 0.298 467 G C -1.405 173.421 174.900 -0.123 0.000 1.385 467 G CA -0.404 44.675 45.100 -0.036 0.000 0.856 467 G HN 1.374 nan 8.290 nan 0.000 0.584 468 A N -0.171 122.426 122.820 -0.372 0.000 2.330 468 A HA 0.914 5.264 4.320 0.051 0.000 0.313 468 A C -1.402 175.923 177.584 -0.432 0.000 1.124 468 A CA -0.559 51.340 52.037 -0.231 0.000 0.774 468 A CB 0.926 19.858 19.000 -0.113 0.000 1.198 468 A HN 1.011 nan 8.150 nan 0.000 0.465 469 Y N 1.713 122.050 120.300 0.061 0.000 2.545 469 Y HA 0.488 5.069 4.550 0.052 0.000 0.348 469 Y C -1.581 174.343 175.900 0.038 0.000 1.002 469 Y CA -1.783 56.353 58.100 0.061 0.000 1.039 469 Y CB 1.427 39.918 38.460 0.052 0.000 1.271 469 Y HN 0.541 nan 8.280 nan 0.000 0.467 470 P HA -0.121 nan 4.420 nan 0.000 0.215 470 P C -0.387 176.970 177.300 0.094 0.000 1.157 470 P CA 1.558 64.716 63.100 0.096 0.000 0.874 470 P CB 0.169 31.916 31.700 0.078 0.000 0.790 471 A N -0.545 122.344 122.820 0.114 0.000 2.318 471 A HA 0.300 4.650 4.320 0.051 0.000 0.324 471 A C 0.677 178.322 177.584 0.102 0.000 1.170 471 A CA -0.474 51.611 52.037 0.080 0.000 0.810 471 A CB 0.913 19.951 19.000 0.065 0.000 1.198 471 A HN -0.025 nan 8.150 nan 0.000 0.484 472 E N 0.710 120.965 120.200 0.092 0.000 2.371 472 E HA 0.038 4.418 4.350 0.051 0.000 0.194 472 E C -0.296 176.438 176.600 0.224 0.000 1.012 472 E CA 0.387 56.907 56.400 0.201 0.000 0.860 472 E CB 0.192 30.093 29.700 0.334 0.000 0.811 472 E HN 0.459 nan 8.360 nan 0.000 0.502 473 L N 0.365 121.638 121.223 0.083 0.000 2.333 473 L HA 0.543 4.913 4.340 0.051 0.000 0.280 473 L C -1.347 175.566 176.870 0.071 0.000 1.004 473 L CA -0.793 54.110 54.840 0.105 0.000 0.820 473 L CB 1.656 43.726 42.059 0.020 0.000 1.247 473 L HN -0.161 nan 8.230 nan 0.000 0.416 474 A N 5.113 127.972 122.820 0.065 0.000 2.323 474 A HA 0.628 4.979 4.320 0.051 0.000 0.305 474 A C -1.151 176.455 177.584 0.037 0.000 1.275 474 A CA -0.480 51.584 52.037 0.044 0.000 0.804 474 A CB 1.066 20.070 19.000 0.007 0.000 1.152 474 A HN 0.823 nan 8.150 nan 0.000 0.487 475 V N 2.960 122.901 119.914 0.044 0.000 2.398 475 V HA 0.823 4.973 4.120 0.051 0.000 0.286 475 V C 0.453 176.483 176.094 -0.107 0.000 1.026 475 V CA 0.303 62.563 62.300 -0.066 0.000 0.868 475 V CB 1.096 32.829 31.823 -0.149 0.000 0.982 475 V HN 1.069 nan 8.190 nan 0.000 0.443 476 G N 5.431 114.132 108.800 -0.166 0.000 2.377 476 G HA2 0.614 4.604 3.960 0.051 0.000 0.299 476 G HA3 0.614 4.604 3.960 0.051 0.000 0.299 476 G C -1.236 173.481 174.900 -0.305 0.000 1.150 476 G CA -0.432 44.608 45.100 -0.100 0.000 0.847 476 G HN 0.657 nan 8.290 nan 0.000 0.501 477 F N 0.617 120.633 119.950 0.110 0.000 2.520 477 F HA 0.508 5.066 4.527 0.051 0.000 0.322 477 F C 0.020 175.865 175.800 0.075 0.000 1.103 477 F CA -0.668 57.399 58.000 0.112 0.000 0.926 477 F CB 2.838 41.963 39.000 0.208 0.000 1.154 477 F HN 0.361 nan 8.300 nan 0.000 0.453 478 D N 0.929 121.447 120.400 0.196 0.000 2.626 478 D HA 0.816 5.486 4.640 0.051 0.000 0.278 478 D C -1.664 174.700 176.300 0.106 0.000 1.211 478 D CA -0.580 53.492 54.000 0.120 0.000 0.903 478 D CB 2.432 43.259 40.800 0.044 0.000 1.408 478 D HN 0.666 nan 8.370 nan 0.000 0.454 479 A N -0.181 122.685 122.820 0.076 0.000 2.488 479 A HA 0.852 5.203 4.320 0.051 0.000 0.298 479 A C -0.346 177.270 177.584 0.053 0.000 1.044 479 A CA 0.194 52.276 52.037 0.076 0.000 0.693 479 A CB 1.637 20.674 19.000 0.061 0.000 1.272 479 A HN 0.830 nan 8.150 nan 0.000 0.402 480 G N -0.609 108.234 108.800 0.071 0.000 2.316 480 G HA2 0.776 4.766 3.960 0.051 0.000 0.296 480 G HA3 0.776 4.766 3.960 0.051 0.000 0.296 480 G C -0.213 174.729 174.900 0.071 0.000 1.399 480 G CA 0.479 45.604 45.100 0.042 0.000 0.833 480 G HN 2.706 nan 8.290 nan 0.000 0.565 481 G N -2.345 106.462 108.800 0.012 0.000 2.760 481 G HA2 0.546 4.537 3.960 0.051 0.000 0.540 481 G HA3 0.546 4.537 3.960 0.051 0.000 0.540 481 G C 0.471 175.301 174.900 -0.116 0.000 1.476 481 G CA 0.935 46.028 45.100 -0.012 0.000 0.949 481 G HN 2.010 nan 8.290 nan 0.000 0.633 482 R N 1.068 121.491 120.500 -0.128 0.000 2.120 482 R HA 0.133 4.503 4.340 0.051 0.000 0.234 482 R C 1.232 177.414 176.300 -0.197 0.000 1.123 482 R CA 2.333 58.346 56.100 -0.144 0.000 0.975 482 R CB -0.715 29.503 30.300 -0.138 0.000 0.866 482 R HN 0.835 nan 8.270 nan 0.000 0.446 483 E N -1.041 118.971 120.200 -0.314 0.000 3.196 483 E HA 0.445 4.825 4.350 0.051 0.000 0.268 483 E C 2.114 178.468 176.600 -0.410 0.000 1.430 483 E CA 0.169 56.326 56.400 -0.404 0.000 1.176 483 E CB 0.275 29.588 29.700 -0.645 0.000 1.228 483 E HN 0.402 nan 8.360 nan 0.000 0.730 484 S N 0.194 115.676 115.700 -0.364 0.000 2.400 484 S HA -0.093 4.408 4.470 0.051 0.000 0.232 484 S C 0.719 175.258 174.600 -0.100 0.000 1.025 484 S CA 1.548 59.664 58.200 -0.139 0.000 0.993 484 S CB -0.682 62.538 63.200 0.034 0.000 0.808 484 S HN 0.357 nan 8.310 nan 0.000 0.478 485 F N -1.067 118.823 119.950 -0.101 0.000 2.575 485 F HA 0.938 5.495 4.527 0.050 0.000 0.330 485 F C -0.149 175.531 175.800 -0.199 0.000 1.056 485 F CA -1.806 56.099 58.000 -0.158 0.000 0.964 485 F CB 1.100 39.974 39.000 -0.210 0.000 1.258 485 F HN -0.229 nan 8.300 nan 0.000 0.484 486 R N 0.289 120.742 120.500 -0.078 0.000 2.943 486 R HA 0.671 5.041 4.340 0.051 0.000 0.246 486 R C -1.864 174.287 176.300 -0.248 0.000 1.201 486 R CA -1.494 54.528 56.100 -0.129 0.000 1.056 486 R CB 0.936 31.209 30.300 -0.044 0.000 1.243 486 R HN 0.675 nan 8.270 nan 0.000 0.498 487 F N -0.888 119.120 119.950 0.097 0.000 2.495 487 F HA 0.571 5.133 4.527 0.058 0.000 0.327 487 F C 0.887 176.719 175.800 0.054 0.000 1.103 487 F CA -0.698 57.356 58.000 0.090 0.000 0.949 487 F CB 2.196 41.246 39.000 0.084 0.000 1.142 487 F HN 0.500 nan 8.300 nan 0.000 0.457 488 G N 0.951 109.890 108.800 0.232 0.000 2.335 488 G HA2 0.578 4.568 3.960 0.051 0.000 0.316 488 G HA3 0.578 4.568 3.960 0.051 0.000 0.316 488 G C -0.497 174.510 174.900 0.177 0.000 1.129 488 G CA -0.552 44.648 45.100 0.166 0.000 0.899 488 G HN 0.952 nan 8.290 nan 0.000 0.448 489 G N -0.459 108.424 108.800 0.138 0.000 2.725 489 G HA2 0.883 4.874 3.960 0.051 0.000 0.288 489 G HA3 0.883 4.874 3.960 0.051 0.000 0.288 489 G C -1.248 173.668 174.900 0.026 0.000 1.399 489 G CA -0.169 44.984 45.100 0.087 0.000 0.859 489 G HN 1.332 nan 8.290 nan 0.000 0.479 490 A N -0.984 121.807 122.820 -0.049 0.000 2.449 490 A HA 0.963 5.313 4.320 0.051 0.000 0.302 490 A C -0.108 177.407 177.584 -0.114 0.000 1.048 490 A CA 0.125 52.026 52.037 -0.227 0.000 0.708 490 A CB 1.529 20.248 19.000 -0.468 0.000 1.274 490 A HN 2.101 nan 8.150 nan 0.000 0.410 491 A N 0.155 122.901 122.820 -0.123 0.000 2.344 491 A HA 0.945 5.295 4.320 0.051 0.000 0.307 491 A C 0.014 177.575 177.584 -0.039 0.000 1.151 491 A CA -0.057 51.981 52.037 0.003 0.000 0.842 491 A CB 0.746 19.787 19.000 0.068 0.000 1.350 491 A HN 2.634 nan 8.150 nan 0.000 0.459 492 C N -2.281 117.036 119.300 0.030 0.000 3.307 492 C HA 0.869 5.360 4.460 0.051 0.000 0.333 492 C C -0.452 174.572 174.990 0.058 0.000 1.291 492 C CA -0.134 58.897 59.018 0.022 0.000 1.273 492 C CB 0.847 28.595 27.740 0.013 0.000 1.580 492 C HN 2.044 nan 8.230 nan 0.000 0.481 493 A N 1.806 124.659 122.820 0.055 0.000 2.285 493 A HA 0.737 5.087 4.320 0.051 0.000 0.310 493 A C -0.696 176.938 177.584 0.083 0.000 1.266 493 A CA -0.390 51.680 52.037 0.055 0.000 0.832 493 A CB 0.723 19.732 19.000 0.015 0.000 1.163 493 A HN 1.489 nan 8.150 nan 0.000 0.499 494 V N 1.957 121.932 119.914 0.103 0.000 2.439 494 V HA 0.738 4.888 4.120 0.051 0.000 0.282 494 V C 0.867 176.978 176.094 0.029 0.000 1.039 494 V CA 0.657 63.032 62.300 0.124 0.000 0.913 494 V CB 0.749 32.628 31.823 0.094 0.000 0.983 494 V HN 1.987 nan 8.190 nan 0.000 0.460 495 G N 3.799 112.665 108.800 0.110 0.000 3.137 495 G HA2 0.015 4.005 3.960 0.051 0.000 0.686 495 G HA3 0.015 4.005 3.960 0.051 0.000 0.686 495 G C 0.782 175.742 174.900 0.100 0.000 0.988 495 G CA -0.201 44.931 45.100 0.052 0.000 0.789 495 G HN 1.344 nan 8.290 nan 0.000 0.544 496 G N 0.733 109.634 108.800 0.168 0.000 2.462 496 G HA2 0.288 4.278 3.960 0.051 0.000 0.220 496 G HA3 0.288 4.278 3.960 0.051 0.000 0.220 496 G C 0.964 175.955 174.900 0.151 0.000 1.121 496 G CA 1.640 46.839 45.100 0.164 0.000 0.758 496 G HN 1.964 nan 8.290 nan 0.000 0.559 497 D N 0.367 120.831 120.400 0.106 0.000 2.498 497 D HA 0.475 5.145 4.640 0.051 0.000 0.229 497 D C 1.450 177.785 176.300 0.058 0.000 1.188 497 D CA 0.664 54.726 54.000 0.102 0.000 1.028 497 D CB -1.063 39.781 40.800 0.073 0.000 1.087 497 D HN 0.975 nan 8.370 nan 0.000 0.510 498 G N 0.255 109.072 108.800 0.028 0.000 2.609 498 G HA2 0.311 4.302 3.960 0.051 0.000 0.288 498 G HA3 0.311 4.302 3.960 0.051 0.000 0.288 498 G C 0.808 175.618 174.900 -0.149 0.000 1.211 498 G CA 0.398 45.412 45.100 -0.143 0.000 0.963 498 G HN 1.993 nan 8.290 nan 0.000 0.541 499 G N -1.593 107.099 108.800 -0.180 0.000 2.601 499 G HA2 0.637 4.627 3.960 0.051 0.000 0.291 499 G HA3 0.637 4.627 3.960 0.051 0.000 0.291 499 G C -1.663 173.274 174.900 0.061 0.000 1.456 499 G CA 0.053 45.115 45.100 -0.063 0.000 0.804 499 G HN 0.987 nan 8.290 nan 0.000 0.499 500 H N 0.452 119.500 119.070 -0.037 0.000 2.727 500 H HA 0.370 4.957 4.556 0.052 0.000 0.330 500 H C -0.260 175.061 175.328 -0.012 0.000 0.986 500 H CA -0.649 55.386 56.048 -0.022 0.000 1.251 500 H CB 1.681 31.429 29.762 -0.023 0.000 1.493 500 H HN 0.184 nan 8.280 nan 0.000 0.515 501 L N 5.972 127.237 121.223 0.071 0.000 2.319 501 L HA 0.322 4.692 4.340 0.051 0.000 0.280 501 L C -0.462 176.436 176.870 0.047 0.000 1.099 501 L CA -0.121 54.755 54.840 0.060 0.000 0.828 501 L CB 0.484 42.575 42.059 0.053 0.000 1.150 501 L HN 0.369 nan 8.230 nan 0.000 0.442 502 L N 3.220 124.484 121.223 0.069 0.000 2.371 502 L HA 0.580 4.951 4.340 0.051 0.000 0.262 502 L C -0.680 176.270 176.870 0.134 0.000 1.006 502 L CA -0.768 54.087 54.840 0.027 0.000 0.818 502 L CB 2.305 44.335 42.059 -0.049 0.000 1.354 502 L HN 0.672 nan 8.230 nan 0.000 0.415 503 W N 1.041 122.398 121.300 0.094 0.000 2.647 503 W HA 0.768 5.427 4.660 -0.003 0.000 0.353 503 W C -0.800 175.760 176.519 0.068 0.000 1.080 503 W CA -0.800 56.603 57.345 0.097 0.000 1.208 503 W CB 1.183 30.777 29.460 0.223 0.000 1.396 503 W HN 0.578 nan 8.180 nan 0.000 0.573 504 T N -0.770 113.947 114.554 0.272 0.000 2.924 504 T HA 0.462 4.843 4.350 0.051 0.000 0.291 504 T C -0.405 174.524 174.700 0.382 0.000 1.045 504 T CA -0.986 61.181 62.100 0.112 0.000 1.015 504 T CB 1.942 70.826 68.868 0.026 0.000 1.103 504 T HN 0.553 nan 8.240 nan 0.000 0.496 505 L N 3.030 124.420 121.223 0.278 0.000 2.654 505 L HA 0.193 4.564 4.340 0.051 0.000 0.271 505 L C -1.797 175.192 176.870 0.198 0.000 1.169 505 L CA -1.236 53.791 54.840 0.313 0.000 0.947 505 L CB 0.276 42.449 42.059 0.190 0.000 1.232 505 L HN 0.611 nan 8.230 nan 0.000 0.486 506 P HA 0.135 nan 4.420 nan 0.000 0.272 506 P C -1.027 176.405 177.300 0.221 0.000 1.254 506 P CA -0.298 62.897 63.100 0.157 0.000 0.795 506 P CB 0.632 32.376 31.700 0.073 0.000 1.022 507 E N -0.621 119.762 120.200 0.305 0.000 2.314 507 E HA 0.606 4.987 4.350 0.051 0.000 0.272 507 E C -1.451 175.327 176.600 0.297 0.000 0.884 507 E CA -0.989 55.580 56.400 0.281 0.000 0.753 507 E CB 1.359 31.140 29.700 0.136 0.000 1.213 507 E HN 0.432 nan 8.360 nan 0.000 0.432 508 A N 4.097 126.998 122.820 0.135 0.000 2.440 508 A HA 0.499 4.849 4.320 0.051 0.000 0.251 508 A C -0.473 177.028 177.584 -0.137 0.000 1.089 508 A CA -0.000 51.883 52.037 -0.256 0.000 0.779 508 A CB 0.185 18.950 19.000 -0.392 0.000 1.022 508 A HN 0.626 nan 8.150 nan 0.000 0.492 509 Q N 0.856 120.575 119.800 -0.135 0.000 2.501 509 Q HA 0.693 5.064 4.340 0.051 0.000 0.288 509 Q C 0.195 176.180 176.000 -0.025 0.000 1.051 509 Q CA -0.420 55.348 55.803 -0.057 0.000 0.788 509 Q CB 1.703 30.426 28.738 -0.025 0.000 1.469 509 Q HN 0.659 nan 8.270 nan 0.000 0.416 510 A N 1.292 124.104 122.820 -0.014 0.000 1.898 510 A HA 0.244 4.595 4.320 0.051 0.000 0.216 510 A C 0.913 178.495 177.584 -0.002 0.000 1.181 510 A CA 1.771 53.811 52.037 0.004 0.000 0.620 510 A CB -0.695 18.302 19.000 -0.006 0.000 0.819 510 A HN 0.798 nan 8.150 nan 0.000 0.442 511 G N -2.387 106.406 108.800 -0.012 0.000 3.251 511 G HA2 0.459 4.450 3.960 0.051 0.000 0.248 511 G HA3 0.459 4.450 3.960 0.051 0.000 0.248 511 G C 0.099 174.990 174.900 -0.014 0.000 1.320 511 G CA -0.030 45.061 45.100 -0.016 0.000 0.982 511 G HN -0.008 nan 8.290 nan 0.000 0.575 512 E N -0.270 119.923 120.200 -0.012 0.000 2.208 512 E HA -0.061 4.319 4.350 0.051 0.000 0.193 512 E C 1.401 178.001 176.600 0.001 0.000 0.988 512 E CA 0.107 56.505 56.400 -0.003 0.000 0.828 512 E CB 0.043 29.742 29.700 -0.002 0.000 0.763 512 E HN 0.413 nan 8.360 nan 0.000 0.478 513 R N 1.984 122.478 120.500 -0.009 0.000 2.457 513 R HA 0.047 4.418 4.340 0.051 0.000 0.335 513 R C -0.089 176.194 176.300 -0.028 0.000 1.003 513 R CA -0.044 56.045 56.100 -0.018 0.000 1.003 513 R CB -0.324 29.962 30.300 -0.024 0.000 0.950 513 R HN -0.088 nan 8.270 nan 0.000 0.428 514 I N 7.945 128.491 120.570 -0.040 0.000 2.598 514 I HA 0.062 4.262 4.170 0.051 0.000 0.284 514 I C -1.751 174.311 176.117 -0.092 0.000 1.140 514 I CA -1.890 59.375 61.300 -0.058 0.000 1.420 514 I CB 0.648 38.600 38.000 -0.080 0.000 1.387 514 I HN 0.453 nan 8.210 nan 0.000 0.553 515 P HA 0.029 nan 4.420 nan 0.000 0.269 515 P C 0.045 177.293 177.300 -0.086 0.000 1.209 515 P CA -0.082 62.982 63.100 -0.060 0.000 0.776 515 P CB 0.574 32.254 31.700 -0.032 0.000 0.876 516 Q N 1.312 121.064 119.800 -0.080 0.000 2.084 516 Q HA -0.222 4.148 4.340 0.051 0.000 0.202 516 Q C 1.516 177.503 176.000 -0.021 0.000 0.978 516 Q CA 1.744 57.493 55.803 -0.089 0.000 0.844 516 Q CB -0.194 28.500 28.738 -0.073 0.000 0.898 516 Q HN 0.546 nan 8.270 nan 0.000 0.426 517 E N -0.029 120.178 120.200 0.011 0.000 2.153 517 E HA -0.148 4.232 4.350 0.051 0.000 0.194 517 E C 1.898 178.541 176.600 0.072 0.000 0.988 517 E CA 1.146 57.588 56.400 0.071 0.000 0.811 517 E CB -0.157 29.571 29.700 0.047 0.000 0.746 517 E HN 0.096 nan 8.360 nan 0.000 0.466 518 V N 0.260 120.185 119.914 0.018 0.000 2.488 518 V HA -0.162 3.989 4.120 0.051 0.000 0.246 518 V C 2.150 178.252 176.094 0.013 0.000 1.046 518 V CA 0.938 63.245 62.300 0.013 0.000 1.053 518 V CB -0.170 31.658 31.823 0.008 0.000 0.679 518 V HN 0.150 nan 8.190 nan 0.000 0.458 519 V N -0.316 119.568 119.914 -0.050 0.000 2.295 519 V HA -0.308 3.842 4.120 0.051 0.000 0.246 519 V C 2.098 178.223 176.094 0.052 0.000 1.049 519 V CA 2.548 64.765 62.300 -0.139 0.000 1.024 519 V CB -0.671 30.822 31.823 -0.550 0.000 0.648 519 V HN 0.806 nan 8.190 nan 0.000 0.447 520 W N 0.995 122.232 121.300 -0.105 0.000 2.358 520 W HA -0.194 4.504 4.660 0.063 0.000 0.303 520 W C 2.130 178.664 176.519 0.026 0.000 1.208 520 W CA 1.670 58.997 57.345 -0.030 0.000 1.274 520 W CB -0.119 29.315 29.460 -0.044 0.000 1.138 520 W HN 0.334 nan 8.180 nan 0.000 0.515 521 D N 1.098 121.365 120.400 -0.221 0.000 2.084 521 D HA -0.204 4.467 4.640 0.051 0.000 0.194 521 D C 2.306 178.456 176.300 -0.250 0.000 0.990 521 D CA 1.967 55.762 54.000 -0.341 0.000 0.826 521 D CB -0.884 39.829 40.800 -0.145 0.000 0.971 521 D HN 0.249 nan 8.370 nan 0.000 0.453 522 L N 0.270 121.453 121.223 -0.067 0.000 2.079 522 L HA -0.189 4.181 4.340 0.051 0.000 0.210 522 L C 2.446 179.313 176.870 -0.004 0.000 1.081 522 L CA 0.486 55.329 54.840 0.006 0.000 0.752 522 L CB -0.439 41.700 42.059 0.133 0.000 0.896 522 L HN 0.089 nan 8.230 nan 0.000 0.433 523 L N 0.342 121.594 121.223 0.049 0.000 2.017 523 L HA -0.218 4.152 4.340 0.051 0.000 0.208 523 L C 2.520 179.293 176.870 -0.162 0.000 1.073 523 L CA 1.877 56.777 54.840 0.101 0.000 0.745 523 L CB -0.775 41.473 42.059 0.315 0.000 0.894 523 L HN 0.331 nan 8.230 nan 0.000 0.432 524 E N -0.994 118.848 120.200 -0.597 0.000 2.209 524 E HA -0.241 4.140 4.350 0.051 0.000 0.196 524 E C 1.743 178.221 176.600 -0.204 0.000 0.993 524 E CA 1.034 57.057 56.400 -0.628 0.000 0.819 524 E CB 0.077 29.161 29.700 -1.027 0.000 0.745 524 E HN 0.514 nan 8.360 nan 0.000 0.477 525 E N 0.038 120.146 120.200 -0.153 0.000 2.072 525 E HA -0.100 4.280 4.350 0.051 0.000 0.190 525 E C 2.126 178.761 176.600 0.058 0.000 0.982 525 E CA 1.439 57.821 56.400 -0.030 0.000 0.803 525 E CB -0.382 29.285 29.700 -0.055 0.000 0.755 525 E HN 0.296 nan 8.360 nan 0.000 0.453 526 T N 2.159 116.731 114.554 0.031 0.000 2.708 526 T HA -0.091 4.290 4.350 0.051 0.000 0.266 526 T C 2.184 176.968 174.700 0.140 0.000 1.037 526 T CA 0.827 62.969 62.100 0.070 0.000 1.146 526 T CB -0.306 68.590 68.868 0.047 0.000 0.865 526 T HN 0.071 nan 8.240 nan 0.000 0.435 527 L N -0.360 120.946 121.223 0.138 0.000 1.971 527 L HA -0.158 4.213 4.340 0.051 0.000 0.215 527 L C 2.602 179.635 176.870 0.272 0.000 1.072 527 L CA 1.760 56.713 54.840 0.188 0.000 0.758 527 L CB -0.617 41.554 42.059 0.187 0.000 0.889 527 L HN 0.457 nan 8.230 nan 0.000 0.433 528 W N 0.690 122.010 121.300 0.032 0.000 2.325 528 W HA -0.288 4.399 4.660 0.045 0.000 0.299 528 W C 2.527 179.079 176.519 0.056 0.000 1.215 528 W CA 1.475 58.842 57.345 0.037 0.000 1.244 528 W CB -0.000 29.451 29.460 -0.014 0.000 1.140 528 W HN 0.268 nan 8.180 nan 0.000 0.523 529 A N -0.285 122.645 122.820 0.182 0.000 1.940 529 A HA -0.277 4.073 4.320 0.051 0.000 0.219 529 A C 1.752 179.367 177.584 0.053 0.000 1.176 529 A CA 1.781 53.865 52.037 0.077 0.000 0.631 529 A CB -1.395 17.652 19.000 0.079 0.000 0.814 529 A HN 0.438 nan 8.150 nan 0.000 0.446 530 F N 0.101 120.030 119.950 -0.035 0.000 2.187 530 F HA -0.048 4.508 4.527 0.048 0.000 0.295 530 F C 2.394 178.125 175.800 -0.114 0.000 1.091 530 F CA 1.441 59.413 58.000 -0.046 0.000 1.308 530 F CB -0.068 38.929 39.000 -0.005 0.000 1.030 530 F HN 0.166 nan 8.300 nan 0.000 0.487 531 R N 2.137 122.701 120.500 0.107 0.000 2.159 531 R HA -0.183 4.187 4.340 0.051 0.000 0.237 531 R C 1.715 177.844 176.300 -0.285 0.000 1.131 531 R CA 1.930 57.950 56.100 -0.134 0.000 0.982 531 R CB -0.665 29.342 30.300 -0.488 0.000 0.868 531 R HN 0.489 nan 8.270 nan 0.000 0.453 532 R N -0.134 120.182 120.500 -0.306 0.000 2.388 532 R HA 0.139 4.509 4.340 0.051 0.000 0.247 532 R C 0.580 176.773 176.300 -0.179 0.000 0.931 532 R CA -0.057 55.889 56.100 -0.257 0.000 1.082 532 R CB 0.328 30.477 30.300 -0.252 0.000 1.135 532 R HN -0.020 nan 8.270 nan 0.000 0.525 533 K N 0.146 120.411 120.400 -0.225 0.000 2.436 533 K HA 0.312 4.662 4.320 0.051 0.000 0.198 533 K C 0.280 176.713 176.600 -0.278 0.000 1.174 533 K CA 0.493 56.645 56.287 -0.224 0.000 0.951 533 K CB 1.158 33.515 32.500 -0.239 0.000 1.040 533 K HN 0.151 nan 8.250 nan 0.000 0.536 534 A N 0.863 123.467 122.820 -0.361 0.000 2.356 534 A HA 0.620 4.970 4.320 0.051 0.000 0.310 534 A C 0.551 178.052 177.584 -0.137 0.000 1.075 534 A CA -0.384 51.495 52.037 -0.262 0.000 0.746 534 A CB 1.359 20.137 19.000 -0.370 0.000 1.221 534 A HN 0.146 nan 8.150 nan 0.000 0.443 535 G N 1.622 110.374 108.800 -0.080 0.000 3.318 535 G HA2 0.373 4.364 3.960 0.051 0.000 0.230 535 G HA3 0.373 4.364 3.960 0.051 0.000 0.230 535 G C 0.461 175.349 174.900 -0.021 0.000 1.317 535 G CA 0.134 45.195 45.100 -0.065 0.000 1.197 535 G HN 0.915 nan 8.290 nan 0.000 0.514 536 R N -1.421 119.104 120.500 0.042 0.000 2.764 536 R HA 0.605 4.975 4.340 0.051 0.000 0.270 536 R C -0.859 175.556 176.300 0.191 0.000 1.014 536 R CA -1.165 54.993 56.100 0.096 0.000 0.904 536 R CB 0.996 31.364 30.300 0.114 0.000 1.236 536 R HN -0.036 nan 8.270 nan 0.000 0.466 537 L N 1.031 122.321 121.223 0.113 0.000 2.464 537 L HA 0.394 4.764 4.340 0.051 0.000 0.264 537 L C -1.928 174.879 176.870 -0.105 0.000 1.199 537 L CA -2.073 52.795 54.840 0.047 0.000 0.818 537 L CB 0.360 42.442 42.059 0.040 0.000 1.102 537 L HN 0.415 nan 8.230 nan 0.000 0.473 538 P HA 0.110 nan 4.420 nan 0.000 0.278 538 P C 0.037 177.184 177.300 -0.255 0.000 1.238 538 P CA -0.506 62.147 63.100 -0.744 0.000 0.794 538 P CB 1.038 32.096 31.700 -1.071 0.000 0.955 539 S N 2.217 117.832 115.700 -0.142 0.000 2.395 539 S HA -0.031 4.469 4.470 0.051 0.000 0.225 539 S C 0.723 175.297 174.600 -0.043 0.000 1.027 539 S CA 0.332 58.499 58.200 -0.055 0.000 0.965 539 S CB -0.187 63.003 63.200 -0.018 0.000 0.812 539 S HN 0.603 nan 8.310 nan 0.000 0.482 540 R N 0.599 121.070 120.500 -0.048 0.000 2.604 540 R HA 0.607 4.977 4.340 0.051 0.000 0.281 540 R C -1.278 175.021 176.300 -0.002 0.000 1.020 540 R CA -0.778 55.319 56.100 -0.005 0.000 0.899 540 R CB 2.140 32.446 30.300 0.011 0.000 1.205 540 R HN 0.214 nan 8.270 nan 0.000 0.450 541 V N 1.828 121.774 119.914 0.054 0.000 2.769 541 V HA 0.701 4.851 4.120 0.051 0.000 0.312 541 V C -1.235 174.925 176.094 0.109 0.000 1.058 541 V CA -1.076 61.266 62.300 0.070 0.000 0.952 541 V CB 1.699 33.576 31.823 0.089 0.000 1.019 541 V HN 0.723 nan 8.190 nan 0.000 0.445 542 L N 4.260 125.540 121.223 0.095 0.000 2.298 542 L HA 0.679 5.049 4.340 0.051 0.000 0.284 542 L C -1.011 175.924 176.870 0.109 0.000 1.013 542 L CA -0.454 54.439 54.840 0.088 0.000 0.824 542 L CB 1.035 43.133 42.059 0.064 0.000 1.221 542 L HN 0.695 nan 8.230 nan 0.000 0.418 543 L N 6.494 127.774 121.223 0.094 0.000 2.275 543 L HA 0.515 4.886 4.340 0.051 0.000 0.288 543 L C -0.557 176.357 176.870 0.073 0.000 1.046 543 L CA -0.114 54.817 54.840 0.151 0.000 0.805 543 L CB 1.293 43.357 42.059 0.009 0.000 1.193 543 L HN 0.531 nan 8.230 nan 0.000 0.426 544 L N 4.565 125.920 121.223 0.219 0.000 2.343 544 L HA 0.547 4.917 4.340 0.051 0.000 0.278 544 L C 0.112 177.131 176.870 0.249 0.000 0.996 544 L CA -0.541 54.384 54.840 0.143 0.000 0.831 544 L CB 1.658 43.781 42.059 0.107 0.000 1.232 544 L HN 0.511 nan 8.230 nan 0.000 0.413 545 R N 2.067 122.641 120.500 0.124 0.000 2.532 545 R HA 0.311 4.681 4.340 0.051 0.000 0.295 545 R C -0.538 175.820 176.300 0.097 0.000 0.968 545 R CA -0.645 55.562 56.100 0.179 0.000 0.916 545 R CB 2.482 32.885 30.300 0.170 0.000 1.124 545 R HN 0.583 nan 8.270 nan 0.000 0.463 546 E N 1.517 121.782 120.200 0.107 0.000 2.130 546 E HA 0.341 4.722 4.350 0.051 0.000 0.284 546 E C -0.185 176.441 176.600 0.042 0.000 1.018 546 E CA -0.004 56.432 56.400 0.060 0.000 0.817 546 E CB 0.759 30.492 29.700 0.056 0.000 1.078 546 E HN 0.810 nan 8.360 nan 0.000 0.396 547 G N 3.241 112.051 108.800 0.016 0.000 2.757 547 G HA2 -0.282 3.709 3.960 0.051 0.000 0.638 547 G HA3 -0.282 3.709 3.960 0.051 0.000 0.638 547 G C -0.488 174.410 174.900 -0.003 0.000 1.344 547 G CA -0.355 44.747 45.100 0.003 0.000 0.855 547 G HN 0.774 nan 8.290 nan 0.000 0.537 548 R N -0.956 119.536 120.500 -0.013 0.000 2.500 548 R HA 0.255 4.625 4.340 0.051 0.000 0.281 548 R C 0.427 176.728 176.300 0.002 0.000 0.953 548 R CA 0.601 56.691 56.100 -0.017 0.000 1.108 548 R CB 0.047 30.334 30.300 -0.022 0.000 0.901 548 R HN 0.967 nan 8.270 nan 0.000 0.410 549 V N 9.297 129.209 119.914 -0.002 0.000 2.427 549 V HA 0.230 4.380 4.120 0.051 0.000 0.268 549 V C -1.814 174.296 176.094 0.026 0.000 1.046 549 V CA -1.694 60.625 62.300 0.032 0.000 0.970 549 V CB 1.050 32.878 31.823 0.009 0.000 1.001 549 V HN 0.871 nan 8.190 nan 0.000 0.476 550 P HA -0.029 nan 4.420 nan 0.000 0.261 550 P C -0.025 177.282 177.300 0.011 0.000 1.183 550 P CA 0.170 63.276 63.100 0.009 0.000 0.761 550 P CB 0.281 31.982 31.700 0.002 0.000 0.785 551 Q N 3.268 123.065 119.800 -0.005 0.000 2.269 551 Q HA -0.127 4.244 4.340 0.051 0.000 0.300 551 Q C 0.096 176.094 176.000 -0.002 0.000 1.070 551 Q CA 1.131 56.931 55.803 -0.006 0.000 0.957 551 Q CB -0.015 28.712 28.738 -0.018 0.000 1.131 551 Q HN 0.471 nan 8.270 nan 0.000 0.377 552 D N 1.946 122.351 120.400 0.008 0.000 2.911 552 D HA -0.210 4.460 4.640 0.051 0.000 0.199 552 D C 0.810 177.110 176.300 -0.001 0.000 1.041 552 D CA 1.427 55.429 54.000 0.002 0.000 1.013 552 D CB -0.802 39.989 40.800 -0.016 0.000 1.093 552 D HN 0.833 nan 8.370 nan 0.000 0.431 553 E N -0.955 119.254 120.200 0.014 0.000 2.114 553 E HA -0.204 4.177 4.350 0.051 0.000 0.199 553 E C 1.226 177.716 176.600 -0.183 0.000 1.008 553 E CA 1.265 57.623 56.400 -0.070 0.000 0.810 553 E CB -0.134 29.546 29.700 -0.034 0.000 0.739 553 E HN 0.387 nan 8.360 nan 0.000 0.456 554 F N -0.455 119.397 119.950 -0.163 0.000 2.645 554 F HA 0.336 4.895 4.527 0.052 0.000 0.300 554 F C 1.523 177.215 175.800 -0.180 0.000 1.115 554 F CA 0.142 58.020 58.000 -0.202 0.000 1.355 554 F CB -0.035 38.806 39.000 -0.264 0.000 1.026 554 F HN 0.059 nan 8.300 nan 0.000 0.536 555 A N 0.988 123.805 122.820 -0.005 0.000 1.852 555 A HA -0.219 4.132 4.320 0.051 0.000 0.217 555 A C 2.282 179.812 177.584 -0.091 0.000 1.215 555 A CA 1.970 53.980 52.037 -0.044 0.000 0.641 555 A CB -0.999 17.976 19.000 -0.042 0.000 0.838 555 A HN 0.367 nan 8.150 nan 0.000 0.450 556 L N -1.046 120.112 121.223 -0.108 0.000 2.013 556 L HA -0.256 4.114 4.340 0.051 0.000 0.212 556 L C 3.119 179.824 176.870 -0.275 0.000 1.073 556 L CA 1.461 56.196 54.840 -0.174 0.000 0.753 556 L CB -0.961 41.018 42.059 -0.135 0.000 0.890 556 L HN 0.507 nan 8.230 nan 0.000 0.432 557 A N 0.215 122.943 122.820 -0.153 0.000 1.940 557 A HA -0.161 4.189 4.320 0.051 0.000 0.219 557 A C 2.292 179.753 177.584 -0.204 0.000 1.176 557 A CA 1.493 53.484 52.037 -0.076 0.000 0.631 557 A CB -0.640 18.442 19.000 0.137 0.000 0.814 557 A HN 0.375 nan 8.150 nan 0.000 0.446 558 L N -1.128 119.968 121.223 -0.211 0.000 2.072 558 L HA -0.122 4.248 4.340 0.051 0.000 0.205 558 L C 2.750 179.521 176.870 -0.166 0.000 1.079 558 L CA 1.255 55.883 54.840 -0.353 0.000 0.752 558 L CB -0.534 41.257 42.059 -0.447 0.000 0.906 558 L HN 0.360 nan 8.230 nan 0.000 0.436 559 E N 0.569 120.668 120.200 -0.167 0.000 2.051 559 E HA -0.199 4.182 4.350 0.051 0.000 0.192 559 E C 2.215 178.681 176.600 -0.223 0.000 0.991 559 E CA 1.443 57.763 56.400 -0.134 0.000 0.799 559 E CB -0.024 29.592 29.700 -0.140 0.000 0.748 559 E HN 0.398 nan 8.360 nan 0.000 0.449 560 A N 1.172 123.715 122.820 -0.463 0.000 1.908 560 A HA -0.176 4.175 4.320 0.051 0.000 0.218 560 A C 2.473 179.798 177.584 -0.431 0.000 1.181 560 A CA 1.312 52.922 52.037 -0.711 0.000 0.627 560 A CB -0.814 17.096 19.000 -1.816 0.000 0.818 560 A HN 0.277 nan 8.150 nan 0.000 0.445 561 L N -0.920 120.137 121.223 -0.277 0.000 2.042 561 L HA -0.254 4.116 4.340 0.051 0.000 0.210 561 L C 3.148 180.072 176.870 0.090 0.000 1.076 561 L CA 1.154 56.017 54.840 0.039 0.000 0.749 561 L CB -0.560 41.616 42.059 0.196 0.000 0.893 561 L HN 0.486 nan 8.230 nan 0.000 0.432 562 A N 0.246 123.123 122.820 0.096 0.000 1.865 562 A HA -0.255 4.095 4.320 0.051 0.000 0.217 562 A C 2.275 179.870 177.584 0.019 0.000 1.191 562 A CA 1.846 53.928 52.037 0.074 0.000 0.623 562 A CB -0.559 18.487 19.000 0.078 0.000 0.826 562 A HN 0.351 nan 8.150 nan 0.000 0.444 563 R N -0.952 119.537 120.500 -0.018 0.000 2.237 563 R HA -0.054 4.316 4.340 0.051 0.000 0.219 563 R C 1.417 177.725 176.300 0.014 0.000 1.080 563 R CA 1.229 57.319 56.100 -0.015 0.000 0.995 563 R CB -0.056 30.217 30.300 -0.045 0.000 0.875 563 R HN 0.492 nan 8.270 nan 0.000 0.462 564 E N -0.631 119.589 120.200 0.034 0.000 2.474 564 E HA 0.118 4.498 4.350 0.051 0.000 0.195 564 E C 0.421 177.061 176.600 0.067 0.000 1.039 564 E CA 0.327 56.772 56.400 0.076 0.000 0.881 564 E CB 0.731 30.514 29.700 0.138 0.000 0.970 564 E HN 0.327 nan 8.360 nan 0.000 0.486 565 G N 1.321 110.149 108.800 0.046 0.000 2.273 565 G HA2 -0.281 3.709 3.960 0.051 0.000 0.280 565 G HA3 -0.281 3.709 3.960 0.051 0.000 0.280 565 G C 0.044 174.964 174.900 0.034 0.000 1.047 565 G CA 0.577 45.695 45.100 0.031 0.000 0.869 565 G HN 0.278 nan 8.290 nan 0.000 0.502 566 I N 0.409 121.016 120.570 0.062 0.000 2.377 566 I HA 0.616 4.817 4.170 0.051 0.000 0.293 566 I C 0.839 176.995 176.117 0.065 0.000 0.987 566 I CA -0.753 60.586 61.300 0.064 0.000 1.185 566 I CB 1.769 39.829 38.000 0.100 0.000 1.341 566 I HN 0.271 nan 8.210 nan 0.000 0.455 567 A N 6.656 129.481 122.820 0.009 0.000 2.351 567 A HA 0.630 4.980 4.320 0.051 0.000 0.257 567 A C -0.820 176.787 177.584 0.039 0.000 1.087 567 A CA -0.009 51.988 52.037 -0.066 0.000 0.798 567 A CB 0.350 19.308 19.000 -0.071 0.000 1.033 567 A HN 0.772 nan 8.150 nan 0.000 0.488 568 Y N -1.167 119.143 120.300 0.017 0.000 2.655 568 Y HA 0.785 5.366 4.550 0.051 0.000 0.336 568 Y C -1.206 174.696 175.900 0.003 0.000 1.154 568 Y CA -1.375 56.733 58.100 0.015 0.000 1.055 568 Y CB 1.643 40.115 38.460 0.020 0.000 1.295 568 Y HN 0.502 nan 8.280 nan 0.000 0.465 569 D N 2.267 122.844 120.400 0.295 0.000 2.970 569 D HA 0.281 4.951 4.640 0.051 0.000 0.230 569 D C -1.682 174.589 176.300 -0.049 0.000 1.276 569 D CA -0.405 53.661 54.000 0.110 0.000 0.910 569 D CB 3.221 44.064 40.800 0.072 0.000 1.590 569 D HN 0.626 nan 8.370 nan 0.000 0.551 570 L N 2.198 123.288 121.223 -0.222 0.000 2.295 570 L HA 0.528 4.899 4.340 0.051 0.000 0.285 570 L C -1.100 175.557 176.870 -0.354 0.000 1.035 570 L CA -0.629 54.000 54.840 -0.352 0.000 0.806 570 L CB 1.525 43.299 42.059 -0.476 0.000 1.214 570 L HN 0.102 nan 8.230 nan 0.000 0.426 571 V N 3.361 123.125 119.914 -0.249 0.000 2.588 571 V HA 0.268 4.418 4.120 0.051 0.000 0.304 571 V C -0.073 175.940 176.094 -0.135 0.000 1.042 571 V CA -0.547 61.655 62.300 -0.162 0.000 0.877 571 V CB 2.044 33.840 31.823 -0.046 0.000 0.996 571 V HN 0.798 nan 8.190 nan 0.000 0.425 572 S N 4.341 119.965 115.700 -0.126 0.000 2.452 572 S HA 0.572 5.072 4.470 0.051 0.000 0.284 572 S C -0.607 173.941 174.600 -0.087 0.000 1.171 572 S CA -0.424 57.720 58.200 -0.094 0.000 1.064 572 S CB 0.810 63.958 63.200 -0.087 0.000 0.967 572 S HN 0.524 nan 8.310 nan 0.000 0.484 573 V N 7.229 127.113 119.914 -0.051 0.000 2.313 573 V HA 0.496 4.646 4.120 0.051 0.000 0.278 573 V C 0.013 176.086 176.094 -0.034 0.000 1.017 573 V CA -0.732 61.539 62.300 -0.049 0.000 0.823 573 V CB 0.814 32.630 31.823 -0.011 0.000 1.010 573 V HN 0.826 nan 8.190 nan 0.000 0.443 574 R N 3.211 123.679 120.500 -0.052 0.000 2.460 574 R HA 0.513 4.883 4.340 0.051 0.000 0.303 574 R C 0.478 176.762 176.300 -0.028 0.000 0.968 574 R CA -0.658 55.420 56.100 -0.037 0.000 0.889 574 R CB 2.105 32.374 30.300 -0.050 0.000 1.123 574 R HN 0.560 nan 8.270 nan 0.000 0.455 575 K N 0.870 121.263 120.400 -0.011 0.000 2.356 575 K HA 0.114 4.465 4.320 0.051 0.000 0.195 575 K C 0.825 177.422 176.600 -0.005 0.000 1.037 575 K CA 0.498 56.784 56.287 -0.003 0.000 1.014 575 K CB 0.559 33.065 32.500 0.011 0.000 0.815 575 K HN 0.687 nan 8.250 nan 0.000 0.507 576 S N 0.051 115.745 115.700 -0.010 0.000 2.593 576 S HA 0.554 5.055 4.470 0.051 0.000 0.297 576 S C 0.879 175.467 174.600 -0.020 0.000 1.112 576 S CA -0.165 58.029 58.200 -0.009 0.000 1.043 576 S CB 1.064 64.261 63.200 -0.006 0.000 1.054 576 S HN 0.229 nan 8.310 nan 0.000 0.516 577 G N 0.327 109.117 108.800 -0.017 0.000 2.175 577 G HA2 -0.078 3.913 3.960 0.051 0.000 0.244 577 G HA3 -0.078 3.913 3.960 0.051 0.000 0.244 577 G C 1.170 176.052 174.900 -0.030 0.000 0.982 577 G CA 0.596 45.680 45.100 -0.026 0.000 0.641 577 G HN 1.771 nan 8.290 nan 0.000 0.527 578 G N 0.257 109.041 108.800 -0.028 0.000 2.625 578 G HA2 0.464 4.455 3.960 0.051 0.000 0.214 578 G HA3 0.464 4.455 3.960 0.051 0.000 0.214 578 G C 1.771 176.659 174.900 -0.020 0.000 1.132 578 G CA 1.637 46.718 45.100 -0.031 0.000 0.782 578 G HN 2.121 nan 8.290 nan 0.000 0.538 579 G N -0.309 108.488 108.800 -0.005 0.000 2.575 579 G HA2 -0.201 3.789 3.960 0.051 0.000 0.267 579 G HA3 -0.201 3.789 3.960 0.051 0.000 0.267 579 G C -0.246 174.636 174.900 -0.030 0.000 1.264 579 G CA 0.146 45.252 45.100 0.011 0.000 0.935 579 G HN 0.678 nan 8.290 nan 0.000 0.568 580 R N -1.874 118.594 120.500 -0.054 0.000 2.854 580 R HA 0.793 5.163 4.340 0.051 0.000 0.271 580 R C -0.728 175.395 176.300 -0.295 0.000 0.996 580 R CA -0.558 55.414 56.100 -0.214 0.000 0.961 580 R CB 2.164 32.310 30.300 -0.258 0.000 1.182 580 R HN 0.790 nan 8.270 nan 0.000 0.479 581 V N 3.358 122.990 119.914 -0.470 0.000 2.569 581 V HA 0.482 4.632 4.120 0.051 0.000 0.301 581 V C -1.467 174.357 176.094 -0.451 0.000 1.044 581 V CA -0.671 61.427 62.300 -0.336 0.000 0.874 581 V CB 1.486 33.190 31.823 -0.199 0.000 1.002 581 V HN 0.608 nan 8.190 nan 0.000 0.424 582 Y N 5.171 125.469 120.300 -0.003 0.000 2.485 582 Y HA 0.617 5.197 4.550 0.051 0.000 0.345 582 Y C -2.355 173.423 175.900 -0.203 0.000 0.998 582 Y CA -3.057 55.041 58.100 -0.003 0.000 1.059 582 Y CB 1.964 40.575 38.460 0.252 0.000 1.234 582 Y HN 0.428 nan 8.280 nan 0.000 0.461 583 P HA 0.082 nan 4.420 nan 0.000 0.276 583 P C 0.587 177.694 177.300 -0.322 0.000 1.230 583 P CA -0.042 62.938 63.100 -0.200 0.000 0.776 583 P CB 1.185 32.802 31.700 -0.138 0.000 0.888 584 V N 1.328 120.923 119.914 -0.531 0.000 2.343 584 V HA -0.102 4.049 4.120 0.051 0.000 0.247 584 V C 1.322 177.359 176.094 -0.095 0.000 1.051 584 V CA 2.607 64.566 62.300 -0.567 0.000 1.036 584 V CB -1.364 30.231 31.823 -0.381 0.000 0.654 584 V HN 0.772 nan 8.190 nan 0.000 0.451 585 Q N -1.761 118.006 119.800 -0.055 0.000 2.313 585 Q HA 0.555 4.926 4.340 0.051 0.000 0.260 585 Q C -0.178 175.842 176.000 0.032 0.000 0.972 585 Q CA 0.490 56.316 55.803 0.038 0.000 0.886 585 Q CB 1.264 30.026 28.738 0.039 0.000 1.373 585 Q HN 1.278 nan 8.270 nan 0.000 0.416 586 G N 1.026 109.883 108.800 0.094 0.000 2.384 586 G HA2 0.108 4.098 3.960 0.051 0.000 0.200 586 G HA3 0.108 4.098 3.960 0.051 0.000 0.200 586 G C -0.749 174.202 174.900 0.085 0.000 1.205 586 G CA -0.197 44.950 45.100 0.079 0.000 1.116 586 G HN 0.952 nan 8.290 nan 0.000 0.547 587 R N -0.782 119.722 120.500 0.008 0.000 2.750 587 R HA 0.745 5.115 4.340 0.051 0.000 0.281 587 R C 0.379 176.594 176.300 -0.142 0.000 0.972 587 R CA -0.128 55.925 56.100 -0.078 0.000 0.912 587 R CB 1.512 31.806 30.300 -0.009 0.000 1.187 587 R HN 1.305 nan 8.270 nan 0.000 0.464 588 L N 1.003 122.078 121.223 -0.247 0.000 2.395 588 L HA 0.800 5.170 4.340 0.051 0.000 0.269 588 L C 0.481 177.262 176.870 -0.148 0.000 1.133 588 L CA -0.646 54.066 54.840 -0.213 0.000 0.812 588 L CB 0.466 42.357 42.059 -0.281 0.000 1.125 588 L HN 0.886 nan 8.230 nan 0.000 0.452 589 A N 1.583 124.335 122.820 -0.114 0.000 2.304 589 A HA 0.545 4.895 4.320 0.051 0.000 0.301 589 A C 0.211 177.747 177.584 -0.080 0.000 1.132 589 A CA -0.050 51.942 52.037 -0.075 0.000 0.819 589 A CB 0.268 19.236 19.000 -0.053 0.000 1.094 589 A HN 1.128 nan 8.150 nan 0.000 0.492 590 D N 0.942 121.319 120.400 -0.039 0.000 2.398 590 D HA 0.411 5.082 4.640 0.051 0.000 0.250 590 D C 0.820 177.067 176.300 -0.088 0.000 1.287 590 D CA 1.381 55.369 54.000 -0.021 0.000 0.992 590 D CB -0.454 40.383 40.800 0.061 0.000 1.071 590 D HN 0.931 nan 8.370 nan 0.000 0.514 591 G N 2.948 111.574 108.800 -0.289 0.000 2.665 591 G HA2 -0.092 3.898 3.960 0.051 0.000 0.220 591 G HA3 -0.092 3.898 3.960 0.051 0.000 0.220 591 G C -0.438 174.152 174.900 -0.516 0.000 1.002 591 G CA -0.718 43.905 45.100 -0.796 0.000 0.893 591 G HN 0.464 nan 8.290 nan 0.000 0.586 592 L N 2.147 123.212 121.223 -0.263 0.000 2.361 592 L HA 0.630 5.001 4.340 0.051 0.000 0.278 592 L C 0.296 177.169 176.870 0.005 0.000 1.113 592 L CA -1.105 53.672 54.840 -0.106 0.000 0.849 592 L CB 0.076 42.073 42.059 -0.102 0.000 1.155 592 L HN 0.267 nan 8.230 nan 0.000 0.452 593 Y N 5.283 125.557 120.300 -0.043 0.000 2.307 593 Y HA 0.581 5.162 4.550 0.051 0.000 0.324 593 Y C -0.653 175.312 175.900 0.108 0.000 1.238 593 Y CA -1.070 57.053 58.100 0.038 0.000 1.280 593 Y CB 1.174 39.635 38.460 0.001 0.000 1.248 593 Y HN 0.246 nan 8.280 nan 0.000 0.508 594 V N 7.253 126.998 119.914 -0.282 0.000 2.722 594 V HA 0.239 4.389 4.120 0.051 0.000 0.260 594 V C -2.599 173.328 176.094 -0.279 0.000 0.941 594 V CA -1.538 60.574 62.300 -0.313 0.000 0.888 594 V CB 1.139 32.904 31.823 -0.098 0.000 1.059 594 V HN 0.696 nan 8.190 nan 0.000 0.486 595 P HA 0.255 nan 4.420 nan 0.000 0.265 595 P C 0.250 177.545 177.300 -0.008 0.000 1.193 595 P CA 0.464 63.489 63.100 -0.125 0.000 0.765 595 P CB 1.259 32.878 31.700 -0.135 0.000 0.823 596 L N 1.041 122.305 121.223 0.068 0.000 3.277 596 L HA 0.307 4.677 4.340 0.051 0.000 0.178 596 L C 1.486 178.387 176.870 0.052 0.000 1.384 596 L CA -0.091 54.778 54.840 0.049 0.000 1.254 596 L CB -0.427 41.659 42.059 0.045 0.000 1.593 596 L HN 0.366 nan 8.230 nan 0.000 0.748 597 E N 0.075 120.305 120.200 0.051 0.000 4.034 597 E HA -0.006 4.375 4.350 0.051 0.000 0.297 597 E C -1.007 175.626 176.600 0.055 0.000 1.372 597 E CA -0.591 55.836 56.400 0.044 0.000 1.555 597 E CB 0.676 30.390 29.700 0.024 0.000 1.488 597 E HN 0.135 nan 8.360 nan 0.000 0.782 598 D N 0.004 120.431 120.400 0.044 0.000 2.304 598 D HA 0.082 4.752 4.640 0.051 0.000 0.250 598 D C -0.602 175.736 176.300 0.064 0.000 1.107 598 D CA 0.120 54.148 54.000 0.046 0.000 0.885 598 D CB 0.441 41.258 40.800 0.029 0.000 1.192 598 D HN 0.342 nan 8.370 nan 0.000 0.436 599 K N 0.533 120.984 120.400 0.086 0.000 3.341 599 K HA -0.168 4.182 4.320 0.051 0.000 0.305 599 K C -0.276 176.429 176.600 0.175 0.000 1.270 599 K CA 1.065 57.429 56.287 0.128 0.000 0.897 599 K CB -2.579 29.987 32.500 0.111 0.000 1.264 599 K HN 0.618 nan 8.250 nan 0.000 0.468 600 T N -0.439 114.222 114.554 0.178 0.000 3.071 600 T HA 0.671 5.051 4.350 0.051 0.000 0.311 600 T C -0.899 173.916 174.700 0.192 0.000 1.042 600 T CA -0.726 61.438 62.100 0.108 0.000 1.028 600 T CB 0.900 69.772 68.868 0.007 0.000 1.068 600 T HN 0.230 nan 8.240 nan 0.000 0.451 601 F N 2.997 123.004 119.950 0.095 0.000 2.629 601 F HA 0.864 5.422 4.527 0.050 0.000 0.316 601 F C -1.643 174.211 175.800 0.090 0.000 1.081 601 F CA -1.539 56.524 58.000 0.105 0.000 0.954 601 F CB 1.017 40.197 39.000 0.300 0.000 1.337 601 F HN 0.494 nan 8.300 nan 0.000 0.474 602 L N 1.632 123.004 121.223 0.248 0.000 2.376 602 L HA 0.707 5.078 4.340 0.051 0.000 0.267 602 L C -1.026 176.039 176.870 0.324 0.000 1.035 602 L CA -1.320 53.600 54.840 0.134 0.000 0.800 602 L CB 1.911 44.000 42.059 0.050 0.000 1.290 602 L HN 0.763 nan 8.230 nan 0.000 0.462 603 L N 1.765 123.095 121.223 0.178 0.000 2.562 603 L HA 0.477 4.848 4.340 0.051 0.000 0.266 603 L C -1.727 175.172 176.870 0.049 0.000 0.949 603 L CA -0.265 54.677 54.840 0.171 0.000 0.879 603 L CB 2.112 44.310 42.059 0.231 0.000 1.278 603 L HN 0.463 nan 8.230 nan 0.000 0.404 604 L N 4.832 126.042 121.223 -0.021 0.000 2.343 604 L HA 0.701 5.072 4.340 0.051 0.000 0.278 604 L C 0.022 176.845 176.870 -0.079 0.000 0.996 604 L CA 0.071 54.881 54.840 -0.049 0.000 0.831 604 L CB 1.917 43.928 42.059 -0.079 0.000 1.232 604 L HN 0.874 nan 8.230 nan 0.000 0.413 605 T N 4.488 119.038 114.554 -0.007 0.000 3.444 605 T HA 0.620 5.000 4.350 0.051 0.000 0.265 605 T C -0.185 174.558 174.700 0.071 0.000 1.537 605 T CA 0.169 62.301 62.100 0.052 0.000 1.530 605 T CB 0.056 69.058 68.868 0.223 0.000 0.958 605 T HN 0.462 nan 8.240 nan 0.000 0.684 612 G N -0.820 108.064 108.800 0.141 0.000 3.247 612 G HA2 0.594 4.584 3.960 0.051 0.000 0.199 612 G HA3 0.594 4.584 3.960 0.051 0.000 0.199 612 G C -0.627 174.396 174.900 0.205 0.000 1.172 612 G CA 0.450 45.646 45.100 0.160 0.000 0.844 612 G HN 0.457 nan 8.290 nan 0.000 0.619 613 T N 2.341 117.002 114.554 0.179 0.000 2.771 613 T HA 0.606 4.987 4.350 0.051 0.000 0.281 613 T C -2.533 172.212 174.700 0.075 0.000 0.982 613 T CA -0.740 61.464 62.100 0.174 0.000 0.978 613 T CB 1.562 70.566 68.868 0.227 0.000 0.930 613 T HN 0.298 nan 8.240 nan 0.000 0.447 614 P HA 0.416 nan 4.420 nan 0.000 0.274 614 P C -0.584 176.697 177.300 -0.032 0.000 1.231 614 P CA -0.787 62.303 63.100 -0.016 0.000 0.790 614 P CB 0.645 32.309 31.700 -0.060 0.000 0.951 615 R N 2.605 123.096 120.500 -0.015 0.000 2.265 615 R HA 0.426 4.796 4.340 0.051 0.000 0.328 615 R C -2.304 173.982 176.300 -0.024 0.000 0.969 615 R CA -1.756 54.332 56.100 -0.020 0.000 0.832 615 R CB 0.370 30.670 30.300 0.000 0.000 1.139 615 R HN 0.366 nan 8.270 nan 0.000 0.457 616 P HA 0.001 nan 4.420 nan 0.000 0.271 616 P C -0.285 177.004 177.300 -0.018 0.000 1.216 616 P CA -0.202 62.880 63.100 -0.030 0.000 0.776 616 P CB 0.654 32.328 31.700 -0.043 0.000 0.881 617 L N 2.977 124.197 121.223 -0.005 0.000 2.462 617 L HA 0.102 4.472 4.340 0.051 0.000 0.272 617 L C 1.143 177.980 176.870 -0.054 0.000 1.166 617 L CA 0.078 54.908 54.840 -0.016 0.000 0.880 617 L CB 0.156 42.220 42.059 0.008 0.000 1.142 617 L HN 0.374 nan 8.230 nan 0.000 0.473 618 K N 4.683 125.035 120.400 -0.079 0.000 2.201 618 K HA 0.502 4.852 4.320 0.051 0.000 0.278 618 K C -1.355 175.119 176.600 -0.211 0.000 1.027 618 K CA -0.617 55.591 56.287 -0.131 0.000 0.909 618 K CB 0.889 33.331 32.500 -0.098 0.000 1.062 618 K HN 0.377 nan 8.250 nan 0.000 0.465 619 L N 3.996 124.978 121.223 -0.401 0.000 2.365 619 L HA 0.439 4.809 4.340 0.051 0.000 0.273 619 L C -1.068 175.525 176.870 -0.462 0.000 1.000 619 L CA -0.867 53.655 54.840 -0.530 0.000 0.819 619 L CB 2.165 43.648 42.059 -0.959 0.000 1.284 619 L HN 0.299 nan 8.230 nan 0.000 0.418 620 V N 0.885 120.657 119.914 -0.236 0.000 2.483 620 V HA 0.261 4.411 4.120 0.051 0.000 0.297 620 V C -0.612 175.477 176.094 -0.009 0.000 1.027 620 V CA -0.732 61.509 62.300 -0.098 0.000 0.855 620 V CB 1.390 33.167 31.823 -0.076 0.000 0.995 620 V HN 0.686 nan 8.190 nan 0.000 0.424 621 H N 2.663 121.740 119.070 0.012 0.000 3.089 621 H HA 0.214 4.801 4.556 0.052 0.000 0.262 621 H C 0.879 176.213 175.328 0.009 0.000 1.160 621 H CA 0.207 56.284 56.048 0.050 0.000 1.482 621 H CB 0.805 30.638 29.762 0.119 0.000 1.511 621 H HN 0.746 nan 8.280 nan 0.000 0.483 622 E N 3.317 123.437 120.200 -0.133 0.000 2.190 622 E HA 0.276 4.656 4.350 0.051 0.000 0.191 622 E C -0.430 176.131 176.600 -0.066 0.000 0.978 622 E CA 0.683 57.029 56.400 -0.090 0.000 0.839 622 E CB 0.570 30.179 29.700 -0.152 0.000 0.787 622 E HN 0.668 nan 8.360 nan 0.000 0.473 623 A N -1.224 121.495 122.820 -0.168 0.000 2.610 623 A HA 0.721 5.072 4.320 0.051 0.000 0.291 623 A C -0.227 177.386 177.584 0.047 0.000 1.086 623 A CA -0.349 51.695 52.037 0.012 0.000 0.677 623 A CB 0.999 20.030 19.000 0.052 0.000 1.278 623 A HN 0.340 nan 8.150 nan 0.000 0.414 624 G N 0.318 109.269 108.800 0.252 0.000 2.663 624 G HA2 0.314 4.304 3.960 0.051 0.000 0.686 624 G HA3 0.314 4.304 3.960 0.051 0.000 0.686 624 G C -0.842 174.254 174.900 0.326 0.000 1.288 624 G CA 0.026 45.257 45.100 0.217 0.000 0.836 624 G HN 1.743 nan 8.290 nan 0.000 0.584 625 D N 0.019 120.491 120.400 0.120 0.000 2.634 625 D HA 0.454 5.124 4.640 0.051 0.000 0.318 625 D C -0.167 176.133 176.300 0.001 0.000 1.226 625 D CA -0.226 53.791 54.000 0.028 0.000 0.899 625 D CB 0.707 41.491 40.800 -0.028 0.000 1.025 625 D HN 0.406 nan 8.370 nan 0.000 0.501 626 T N 1.198 115.757 114.554 0.010 0.000 2.861 626 T HA 0.403 4.783 4.350 0.051 0.000 0.287 626 T C -2.702 171.928 174.700 -0.117 0.000 1.003 626 T CA -1.397 60.699 62.100 -0.008 0.000 0.977 626 T CB 2.102 71.028 68.868 0.096 0.000 0.996 626 T HN -0.006 nan 8.240 nan 0.000 0.448 627 P HA 0.021 nan 4.420 nan 0.000 0.257 627 P C 0.824 178.007 177.300 -0.196 0.000 1.162 627 P CA -0.097 62.909 63.100 -0.157 0.000 0.762 627 P CB 0.302 31.910 31.700 -0.152 0.000 0.753 628 L N 3.811 124.909 121.223 -0.207 0.000 2.151 628 L HA -0.259 4.111 4.340 0.051 0.000 0.215 628 L C 1.998 178.468 176.870 -0.667 0.000 1.084 628 L CA 2.040 56.703 54.840 -0.296 0.000 0.764 628 L CB -1.006 40.992 42.059 -0.103 0.000 0.891 628 L HN 0.373 nan 8.230 nan 0.000 0.435 629 E N -0.892 118.962 120.200 -0.576 0.000 2.047 629 E HA -0.118 4.262 4.350 0.051 0.000 0.191 629 E C 2.331 178.622 176.600 -0.514 0.000 0.987 629 E CA 1.229 57.155 56.400 -0.789 0.000 0.799 629 E CB -0.675 28.730 29.700 -0.491 0.000 0.752 629 E HN 0.452 nan 8.360 nan 0.000 0.449 630 A N 0.839 123.473 122.820 -0.309 0.000 1.908 630 A HA -0.186 4.164 4.320 0.051 0.000 0.218 630 A C 2.219 179.759 177.584 -0.074 0.000 1.181 630 A CA 1.395 53.335 52.037 -0.162 0.000 0.627 630 A CB -0.746 18.188 19.000 -0.109 0.000 0.818 630 A HN 0.204 nan 8.150 nan 0.000 0.445 631 L N -1.117 120.036 121.223 -0.117 0.000 2.044 631 L HA -0.115 4.255 4.340 0.051 0.000 0.205 631 L C 3.116 179.970 176.870 -0.027 0.000 1.075 631 L CA 0.959 55.800 54.840 0.001 0.000 0.747 631 L CB -0.666 41.468 42.059 0.126 0.000 0.903 631 L HN 0.406 nan 8.230 nan 0.000 0.435 632 A N -0.859 121.776 122.820 -0.308 0.000 1.948 632 A HA -0.297 4.054 4.320 0.051 0.000 0.220 632 A C 2.256 179.815 177.584 -0.041 0.000 1.177 632 A CA 1.853 53.742 52.037 -0.246 0.000 0.636 632 A CB -1.023 17.458 19.000 -0.864 0.000 0.815 632 A HN 0.544 nan 8.150 nan 0.000 0.449 633 H N -0.711 118.237 119.070 -0.204 0.000 2.256 633 H HA -0.185 4.401 4.556 0.051 0.000 0.299 633 H C 2.280 177.516 175.328 -0.154 0.000 1.071 633 H CA 2.224 58.168 56.048 -0.172 0.000 1.280 633 H CB -0.242 29.384 29.762 -0.228 0.000 1.370 633 H HN 0.641 nan 8.280 nan 0.000 0.490 634 Q N 0.450 120.194 119.800 -0.092 0.000 1.985 634 Q HA -0.162 4.208 4.340 0.051 0.000 0.207 634 Q C 2.716 178.638 176.000 -0.130 0.000 0.996 634 Q CA 2.391 58.110 55.803 -0.140 0.000 0.851 634 Q CB -0.076 28.657 28.738 -0.009 0.000 0.921 634 Q HN 0.507 nan 8.270 nan 0.000 0.418 635 I N 0.186 120.755 120.570 -0.001 0.000 2.065 635 I HA -0.357 3.843 4.170 0.051 0.000 0.236 635 I C 2.287 178.458 176.117 0.090 0.000 1.028 635 I CA 1.817 63.154 61.300 0.062 0.000 1.299 635 I CB -0.822 37.273 38.000 0.158 0.000 1.015 635 I HN 0.365 nan 8.210 nan 0.000 0.396 636 F N 1.637 121.595 119.950 0.014 0.000 2.111 636 F HA -0.312 4.246 4.527 0.051 0.000 0.300 636 F C 2.587 178.405 175.800 0.030 0.000 1.088 636 F CA 2.023 60.042 58.000 0.033 0.000 1.243 636 F CB -0.933 38.109 39.000 0.071 0.000 0.996 636 F HN 0.177 nan 8.300 nan 0.000 0.483 637 H N -0.330 118.464 119.070 -0.459 0.000 2.326 637 H HA -0.097 4.489 4.556 0.050 0.000 0.301 637 H C 2.371 177.425 175.328 -0.457 0.000 1.081 637 H CA 1.311 57.007 56.048 -0.586 0.000 1.334 637 H CB -0.366 29.148 29.762 -0.414 0.000 1.385 637 H HN 0.282 nan 8.280 nan 0.000 0.504 638 L N 0.319 121.417 121.223 -0.208 0.000 2.189 638 L HA -0.211 4.159 4.340 0.051 0.000 0.214 638 L C 2.523 179.313 176.870 -0.133 0.000 1.097 638 L CA 0.956 55.695 54.840 -0.168 0.000 0.764 638 L CB -0.536 41.455 42.059 -0.113 0.000 0.900 638 L HN 0.268 nan 8.230 nan 0.000 0.436 639 T N -0.769 113.681 114.554 -0.173 0.000 2.822 639 T HA -0.220 4.161 4.350 0.051 0.000 0.270 639 T C 1.904 176.505 174.700 -0.166 0.000 1.064 639 T CA 1.390 63.401 62.100 -0.149 0.000 1.131 639 T CB -0.111 68.667 68.868 -0.150 0.000 0.858 639 T HN 0.227 nan 8.240 nan 0.000 0.483 640 R N -0.076 120.216 120.500 -0.347 0.000 2.280 640 R HA 0.373 4.743 4.340 0.051 0.000 0.195 640 R C 2.073 178.414 176.300 0.068 0.000 0.935 640 R CA 0.112 55.995 56.100 -0.362 0.000 1.033 640 R CB -0.280 29.556 30.300 -0.773 0.000 0.964 640 R HN 0.334 nan 8.270 nan 0.000 0.489 641 L N -0.461 120.765 121.223 0.005 0.000 2.201 641 L HA -0.062 4.308 4.340 0.051 0.000 0.212 641 L C 0.284 177.220 176.870 0.111 0.000 1.105 641 L CA 0.339 55.194 54.840 0.026 0.000 0.775 641 L CB -0.142 41.908 42.059 -0.014 0.000 0.913 641 L HN 0.197 nan 8.230 nan 0.000 0.440 642 Y N 2.296 122.632 120.300 0.059 0.000 2.745 642 Y HA -0.025 4.554 4.550 0.048 0.000 0.335 642 Y C -1.656 174.262 175.900 0.029 0.000 1.212 642 Y CA -2.134 56.007 58.100 0.068 0.000 1.535 642 Y CB 0.522 39.042 38.460 0.100 0.000 1.220 642 Y HN -0.012 nan 8.280 nan 0.000 0.531 643 P HA 0.100 nan 4.420 nan 0.000 0.235 643 P C 0.313 177.346 177.300 -0.445 0.000 1.177 643 P CA 1.258 64.152 63.100 -0.343 0.000 0.785 643 P CB 0.496 32.027 31.700 -0.283 0.000 0.885 644 A N -0.273 122.090 122.820 -0.761 0.000 2.390 644 A HA 0.140 4.490 4.320 0.051 0.000 0.232 644 A C 2.033 179.475 177.584 -0.236 0.000 1.233 644 A CA 0.595 52.354 52.037 -0.463 0.000 0.907 644 A CB -0.873 17.884 19.000 -0.405 0.000 0.967 644 A HN 0.210 nan 8.150 nan 0.000 0.512 645 S N -0.754 114.841 115.700 -0.176 0.000 2.356 645 S HA 0.193 4.693 4.470 0.051 0.000 0.223 645 S C 1.914 176.414 174.600 -0.167 0.000 1.032 645 S CA 1.767 59.993 58.200 0.043 0.000 1.005 645 S CB -0.685 62.566 63.200 0.085 0.000 0.867 645 S HN 1.859 nan 8.310 nan 0.000 0.449 646 G N 1.524 110.101 108.800 -0.371 0.000 5.353 646 G HA2 -0.284 3.706 3.960 0.051 0.000 0.283 646 G HA3 -0.284 3.706 3.960 0.051 0.000 0.283 646 G C 0.429 174.746 174.900 -0.971 0.000 1.457 646 G CA 0.430 45.098 45.100 -0.720 0.000 0.951 646 G HN 0.750 nan 8.290 nan 0.000 0.731 647 F N 2.477 122.322 119.950 -0.175 0.000 2.775 647 F HA 0.787 5.345 4.527 0.052 0.000 0.313 647 F C 0.689 176.354 175.800 -0.225 0.000 1.121 647 F CA 0.217 58.111 58.000 -0.176 0.000 1.206 647 F CB 1.352 40.303 39.000 -0.082 0.000 1.052 647 F HN 0.928 nan 8.300 nan 0.000 0.524 648 A N 0.033 122.712 122.820 -0.235 0.000 2.547 648 A HA 0.613 4.964 4.320 0.051 0.000 0.298 648 A C -1.316 176.098 177.584 -0.285 0.000 1.062 648 A CA -0.557 51.361 52.037 -0.198 0.000 0.748 648 A CB 0.244 19.235 19.000 -0.015 0.000 1.288 648 A HN 0.061 nan 8.150 nan 0.000 0.396 649 F N 2.269 122.235 119.950 0.027 0.000 2.389 649 F HA 0.531 5.088 4.527 0.049 0.000 0.337 649 F C -1.642 174.124 175.800 -0.057 0.000 1.112 649 F CA -1.451 56.548 58.000 -0.002 0.000 1.192 649 F CB 0.738 39.729 39.000 -0.016 0.000 1.185 649 F HN 0.334 nan 8.300 nan 0.000 0.552 650 P HA 0.175 nan 4.420 nan 0.000 0.274 650 P C 0.412 177.647 177.300 -0.108 0.000 1.231 650 P CA -0.490 62.458 63.100 -0.255 0.000 0.790 650 P CB 0.761 31.900 31.700 -0.935 0.000 0.951 651 R N 0.836 121.284 120.500 -0.087 0.000 2.193 651 R HA -0.075 4.295 4.340 0.051 0.000 0.229 651 R C 0.200 176.492 176.300 -0.013 0.000 1.110 651 R CA 1.133 57.228 56.100 -0.009 0.000 0.988 651 R CB -0.467 29.836 30.300 0.005 0.000 0.871 651 R HN 0.366 nan 8.270 nan 0.000 0.458 652 L N -0.364 120.810 121.223 -0.081 0.000 2.334 652 L HA 0.559 4.930 4.340 0.051 0.000 0.272 652 L C -2.387 174.460 176.870 -0.038 0.000 1.020 652 L CA -3.246 51.576 54.840 -0.029 0.000 0.812 652 L CB 0.319 42.389 42.059 0.019 0.000 1.264 652 L HN -0.225 nan 8.230 nan 0.000 0.439 653 P HA -0.021 nan 4.420 nan 0.000 0.263 653 P C 0.524 177.844 177.300 0.032 0.000 1.175 653 P CA 0.356 63.460 63.100 0.008 0.000 0.761 653 P CB 0.607 32.319 31.700 0.020 0.000 0.794 654 A N 6.465 129.314 122.820 0.049 0.000 1.929 654 A HA -0.200 4.150 4.320 0.051 0.000 0.221 654 A C -0.464 177.204 177.584 0.139 0.000 1.211 654 A CA 2.180 54.301 52.037 0.141 0.000 0.657 654 A CB -2.506 16.590 19.000 0.161 0.000 0.827 654 A HN 0.492 nan 8.150 nan 0.000 0.462 655 P HA -0.020 nan 4.420 nan 0.000 0.226 655 P C 1.453 178.778 177.300 0.042 0.000 1.153 655 P CA 0.534 63.672 63.100 0.062 0.000 0.777 655 P CB 0.036 31.752 31.700 0.027 0.000 0.794 656 L N -1.889 119.367 121.223 0.054 0.000 2.145 656 L HA -0.047 4.323 4.340 0.051 0.000 0.201 656 L C 2.436 179.335 176.870 0.048 0.000 1.075 656 L CA 0.998 55.866 54.840 0.046 0.000 0.773 656 L CB -0.585 41.510 42.059 0.060 0.000 0.936 656 L HN -0.021 nan 8.230 nan 0.000 0.451 657 H N 0.216 119.248 119.070 -0.063 0.000 2.426 657 H HA -0.214 4.373 4.556 0.052 0.000 0.298 657 H C 2.074 177.339 175.328 -0.103 0.000 1.107 657 H CA 1.915 57.881 56.048 -0.137 0.000 1.298 657 H CB -0.029 29.563 29.762 -0.284 0.000 1.377 657 H HN 0.230 nan 8.280 nan 0.000 0.519 658 L N -1.004 120.227 121.223 0.012 0.000 2.044 658 L HA -0.057 4.313 4.340 0.051 0.000 0.205 658 L C 2.811 179.558 176.870 -0.206 0.000 1.075 658 L CA 0.913 55.782 54.840 0.049 0.000 0.747 658 L CB -0.649 41.552 42.059 0.236 0.000 0.903 658 L HN 0.366 nan 8.230 nan 0.000 0.435 659 A N -0.403 122.331 122.820 -0.143 0.000 1.978 659 A HA -0.291 4.059 4.320 0.051 0.000 0.220 659 A C 2.095 179.558 177.584 -0.202 0.000 1.170 659 A CA 2.033 53.958 52.037 -0.187 0.000 0.636 659 A CB -0.667 18.272 19.000 -0.101 0.000 0.810 659 A HN 0.533 nan 8.150 nan 0.000 0.448 660 D N -0.862 119.440 120.400 -0.164 0.000 2.097 660 D HA -0.178 4.492 4.640 0.051 0.000 0.195 660 D C 2.099 178.271 176.300 -0.213 0.000 0.989 660 D CA 1.253 55.165 54.000 -0.147 0.000 0.827 660 D CB 0.021 40.751 40.800 -0.117 0.000 0.966 660 D HN 0.232 nan 8.370 nan 0.000 0.456 661 R N 0.189 120.505 120.500 -0.307 0.000 2.090 661 R HA 0.007 4.377 4.340 0.051 0.000 0.228 661 R C 2.249 178.293 176.300 -0.426 0.000 1.110 661 R CA 0.416 56.353 56.100 -0.272 0.000 0.973 661 R CB -0.857 29.354 30.300 -0.150 0.000 0.869 661 R HN 0.278 nan 8.270 nan 0.000 0.440 662 L N -0.301 120.368 121.223 -0.924 0.000 1.994 662 L HA -0.104 4.266 4.340 0.051 0.000 0.208 662 L C 1.793 178.370 176.870 -0.489 0.000 1.071 662 L CA 1.621 55.719 54.840 -1.235 0.000 0.745 662 L CB -0.531 40.599 42.059 -1.547 0.000 0.892 662 L HN -0.046 nan 8.230 nan 0.000 0.431 663 V N 0.059 119.781 119.914 -0.321 0.000 2.407 663 V HA -0.291 3.860 4.120 0.051 0.000 0.248 663 V C 2.677 178.739 176.094 -0.053 0.000 1.055 663 V CA 2.134 64.363 62.300 -0.119 0.000 1.049 663 V CB -0.680 31.122 31.823 -0.036 0.000 0.662 663 V HN 0.486 nan 8.190 nan 0.000 0.455 664 K N -0.690 119.665 120.400 -0.076 0.000 2.097 664 K HA -0.170 4.180 4.320 0.051 0.000 0.206 664 K C 2.212 178.824 176.600 0.020 0.000 1.049 664 K CA 1.282 57.558 56.287 -0.017 0.000 0.933 664 K CB -0.102 32.387 32.500 -0.018 0.000 0.717 664 K HN 0.402 nan 8.250 nan 0.000 0.442 665 E N 0.325 120.525 120.200 0.000 0.000 2.122 665 E HA -0.064 4.316 4.350 0.051 0.000 0.190 665 E C 2.004 178.652 176.600 0.079 0.000 0.977 665 E CA 0.587 57.043 56.400 0.092 0.000 0.820 665 E CB 0.233 30.031 29.700 0.164 0.000 0.770 665 E HN 0.020 nan 8.360 nan 0.000 0.462 666 V N 0.735 120.634 119.914 -0.025 0.000 2.759 666 V HA -0.158 3.992 4.120 0.051 0.000 0.256 666 V C 2.256 178.275 176.094 -0.126 0.000 1.080 666 V CA 1.707 63.909 62.300 -0.163 0.000 1.101 666 V CB -0.787 30.785 31.823 -0.418 0.000 0.698 666 V HN 0.258 nan 8.190 nan 0.000 0.477 667 G N -0.031 108.786 108.800 0.029 0.000 2.464 667 G HA2 -0.234 3.756 3.960 0.051 0.000 0.214 667 G HA3 -0.234 3.756 3.960 0.051 0.000 0.214 667 G C 1.672 176.646 174.900 0.124 0.000 1.218 667 G CA 0.699 45.900 45.100 0.169 0.000 0.794 667 G HN 0.354 nan 8.290 nan 0.000 0.542 668 R N 0.009 120.566 120.500 0.094 0.000 2.113 668 R HA -0.114 4.257 4.340 0.051 0.000 0.244 668 R C 2.047 178.429 176.300 0.138 0.000 1.142 668 R CA 1.876 58.043 56.100 0.111 0.000 0.953 668 R CB -0.382 30.042 30.300 0.206 0.000 0.860 668 R HN 0.513 nan 8.270 nan 0.000 0.438 669 L N -3.598 117.707 121.223 0.137 0.000 2.959 669 L HA 0.537 4.907 4.340 0.051 0.000 0.259 669 L C 0.464 177.464 176.870 0.216 0.000 1.185 669 L CA 0.162 55.092 54.840 0.151 0.000 0.998 669 L CB 0.578 42.689 42.059 0.087 0.000 1.337 669 L HN 0.180 nan 8.230 nan 0.000 0.555 670 G N 0.492 109.382 108.800 0.149 0.000 2.733 670 G HA2 -0.231 3.759 3.960 0.051 0.000 0.686 670 G HA3 -0.231 3.759 3.960 0.051 0.000 0.686 670 G C 0.108 175.001 174.900 -0.012 0.000 1.373 670 G CA -0.067 45.107 45.100 0.124 0.000 0.838 670 G HN 0.231 nan 8.290 nan 0.000 0.588 671 I N 0.783 121.306 120.570 -0.077 0.000 3.603 671 I HA 0.063 4.264 4.170 0.051 0.000 0.297 671 I C 2.651 178.685 176.117 -0.137 0.000 1.269 671 I CA 0.799 62.012 61.300 -0.145 0.000 1.361 671 I CB -0.225 37.698 38.000 -0.129 0.000 1.063 671 I HN 0.690 nan 8.210 nan 0.000 0.448 672 R N -0.327 120.020 120.500 -0.255 0.000 2.285 672 R HA -0.143 4.227 4.340 0.051 0.000 0.213 672 R C 1.248 177.354 176.300 -0.322 0.000 1.068 672 R CA 1.075 56.995 56.100 -0.301 0.000 1.004 672 R CB -0.642 29.447 30.300 -0.352 0.000 0.873 672 R HN 0.493 nan 8.270 nan 0.000 0.467 673 H N 1.067 120.104 119.070 -0.056 0.000 2.486 673 H HA 0.138 4.722 4.556 0.048 0.000 0.287 673 H C 1.975 177.242 175.328 -0.102 0.000 1.010 673 H CA 0.594 56.593 56.048 -0.082 0.000 1.324 673 H CB 0.199 29.891 29.762 -0.118 0.000 1.446 673 H HN 0.183 nan 8.280 nan 0.000 0.537 674 L N 1.201 122.416 121.223 -0.013 0.000 2.622 674 L HA -0.058 4.312 4.340 0.051 0.000 0.233 674 L C 2.391 179.325 176.870 0.108 0.000 1.156 674 L CA 0.272 55.106 54.840 -0.011 0.000 0.866 674 L CB -0.270 41.781 42.059 -0.014 0.000 0.980 674 L HN 0.043 nan 8.230 nan 0.000 0.448 675 K N 1.901 122.337 120.400 0.060 0.000 2.052 675 K HA -0.239 4.111 4.320 0.051 0.000 0.215 675 K C 1.149 177.793 176.600 0.073 0.000 1.053 675 K CA 1.779 58.102 56.287 0.061 0.000 0.934 675 K CB 0.008 32.524 32.500 0.027 0.000 0.717 675 K HN 0.182 nan 8.250 nan 0.000 0.450 676 E N -0.463 119.773 120.200 0.061 0.000 2.651 676 E HA 0.185 4.565 4.350 0.051 0.000 0.213 676 E C -1.454 175.190 176.600 0.073 0.000 1.028 676 E CA -0.225 56.206 56.400 0.052 0.000 1.183 676 E CB 0.950 30.665 29.700 0.025 0.000 1.188 676 E HN -0.027 nan 8.360 nan 0.000 0.444 677 V N 1.272 121.274 119.914 0.148 0.000 2.398 677 V HA 0.162 4.312 4.120 0.051 0.000 0.286 677 V C -0.070 176.188 176.094 0.273 0.000 1.026 677 V CA -1.195 61.240 62.300 0.226 0.000 0.868 677 V CB 1.638 33.640 31.823 0.299 0.000 0.982 677 V HN 0.189 nan 8.190 nan 0.000 0.443 678 D N 3.635 124.142 120.400 0.178 0.000 2.417 678 D HA 0.045 4.716 4.640 0.051 0.000 0.250 678 D C 1.218 177.537 176.300 0.031 0.000 1.166 678 D CA 0.183 54.220 54.000 0.062 0.000 0.881 678 D CB 0.696 41.515 40.800 0.032 0.000 1.164 678 D HN 0.413 nan 8.370 nan 0.000 0.467 679 R N 2.467 122.777 120.500 -0.317 0.000 2.397 679 R HA -0.118 4.253 4.340 0.051 0.000 0.213 679 R C 0.922 176.900 176.300 -0.538 0.000 1.102 679 R CA 0.740 56.294 56.100 -0.909 0.000 1.040 679 R CB 0.111 29.929 30.300 -0.804 0.000 0.844 679 R HN 0.594 nan 8.270 nan 0.000 0.478 680 E N -0.004 120.106 120.200 -0.150 0.000 2.489 680 E HA 0.055 4.435 4.350 0.051 0.000 0.204 680 E C -0.511 176.115 176.600 0.044 0.000 1.006 680 E CA 0.012 56.370 56.400 -0.069 0.000 0.936 680 E CB 0.577 30.213 29.700 -0.107 0.000 1.002 680 E HN 0.004 nan 8.360 nan 0.000 0.488 681 K N 1.533 122.046 120.400 0.188 0.000 2.263 681 K HA 0.242 4.592 4.320 0.051 0.000 0.282 681 K C -0.461 176.274 176.600 0.226 0.000 1.089 681 K CA -0.241 56.158 56.287 0.187 0.000 0.907 681 K CB 0.948 33.570 32.500 0.203 0.000 1.148 681 K HN 0.108 nan 8.250 nan 0.000 0.470 682 L N 5.834 126.999 121.223 -0.098 0.000 2.388 682 L HA 0.066 4.436 4.340 0.051 0.000 0.252 682 L C 1.103 177.429 176.870 -0.906 0.000 1.357 682 L CA -0.264 54.180 54.840 -0.660 0.000 1.214 682 L CB -1.051 40.665 42.059 -0.571 0.000 1.392 682 L HN 0.690 nan 8.230 nan 0.000 0.432 683 F N -0.048 119.511 119.950 -0.651 0.000 2.333 683 F HA -0.150 4.408 4.527 0.052 0.000 0.300 683 F C 1.685 177.264 175.800 -0.368 0.000 1.083 683 F CA 0.388 58.151 58.000 -0.395 0.000 1.395 683 F CB -0.681 38.173 39.000 -0.242 0.000 1.056 683 F HN 0.255 nan 8.300 nan 0.000 0.529 684 F N 0.928 120.499 119.950 -0.632 0.000 2.776 684 F HA 0.367 4.917 4.527 0.039 0.000 0.300 684 F C 0.850 176.557 175.800 -0.156 0.000 1.116 684 F CA -1.121 56.665 58.000 -0.358 0.000 1.375 684 F CB -1.699 36.925 39.000 -0.626 0.000 1.109 684 F HN -0.031 nan 8.300 nan 0.000 0.585 685 V N 0.000 119.771 119.914 -0.239 0.000 2.409 685 V HA 0.000 4.150 4.120 0.051 0.000 0.244 685 V CA 0.000 62.294 62.300 -0.009 0.000 1.235 685 V CB 0.000 31.768 31.823 -0.092 0.000 1.184 685 V HN 0.000 nan 8.190 nan 0.000 0.556