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 3kfb_1_D DATA FIRST_RESID 11 DATA SEQUENCE NMKRYMGRDA QRMNILAGRI IAETVRSTLG PKGMDKMLVD DLGDVVVTND DATA SEQUENCE GVTILREMSV EHPAAKMLIE VAKTQEKEVG DGTTTAVVVA GELLRKAEEL DATA SEQUENCE LDQNVHPTIV VKGYQAAAQK AQELLKTIAC EVGAQDKEIL TKIAMTSITG DATA SEQUENCE KGAEKAKEKL AEIIVEAVSA VVDDEGKVDK DLIKIEKKSG ASIDDTELIK DATA SEQUENCE GVLVDKERVS AQMPKKVTDA KIALLNCAIE IKETETDAEI RITDPAKLME DATA SEQUENCE FIEQEEKMLK DMVAEIKASG ANVLFCQKGI DDLAQHYLAK EGIVAARRVK DATA SEQUENCE KSDMEKLAKA TGANVITNIK DLSAQDLGDA GLVEERKISG DSMIFVEECK DATA SEQUENCE HPKAVTMLIR GTTEHVIEEV ARAVDDAVGV VGCTIEDGRI VSGGGSTEVE DATA SEQUENCE LSMKLREYAE GISGREQLAV RAFADALEVI PRTLAENAGL DAIEILVKVR DATA SEQUENCE AAHASNGNKc AGLNVFTGAV EDMcENGVVE PLRVKTQAIQ SAAESTEMLL DATA SEQUENCE RIDDVIAAE 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 11 N HA 0.000 nan 4.740 nan 0.000 0.220 11 N C 0.000 175.478 175.510 -0.053 0.000 1.280 11 N CA 0.000 53.025 53.050 -0.042 0.000 0.885 11 N CB 0.000 38.468 38.487 -0.031 0.000 1.341 12 M N 0.766 120.324 119.600 -0.069 0.000 2.817 12 M HA 0.249 4.729 4.480 -0.000 0.000 0.228 12 M C -0.285 175.953 176.300 -0.103 0.000 1.644 12 M CA 0.571 55.829 55.300 -0.070 0.000 1.177 12 M CB 0.647 33.213 32.600 -0.056 0.000 1.302 12 M HN 0.227 nan 8.290 nan 0.000 0.565 13 K N 1.207 121.516 120.400 -0.152 0.000 2.507 13 K HA 0.518 4.838 4.320 -0.000 0.000 0.252 13 K C -1.039 175.311 176.600 -0.417 0.000 0.943 13 K CA -0.389 55.735 56.287 -0.271 0.000 0.808 13 K CB 2.884 35.227 32.500 -0.262 0.000 1.142 13 K HN 0.014 nan 8.250 nan 0.000 0.426 14 R N 3.076 123.291 120.500 -0.475 0.000 2.532 14 R HA 0.315 4.655 4.340 -0.000 0.000 0.297 14 R C -1.544 174.485 176.300 -0.451 0.000 0.984 14 R CA -0.626 55.221 56.100 -0.423 0.000 0.884 14 R CB 0.899 31.087 30.300 -0.186 0.000 1.182 14 R HN 0.455 nan 8.270 nan 0.000 0.442 15 Y N 3.948 124.245 120.300 -0.005 0.000 2.328 15 Y HA 0.403 4.953 4.550 -0.000 0.000 0.337 15 Y C 0.306 176.206 175.900 -0.001 0.000 1.008 15 Y CA -0.954 57.147 58.100 0.000 0.000 1.129 15 Y CB 1.508 39.973 38.460 0.008 0.000 1.185 15 Y HN 0.236 nan 8.280 nan 0.000 0.476 16 M N 2.885 122.566 119.600 0.136 0.000 2.157 16 M HA 0.327 4.807 4.480 -0.000 0.000 0.354 16 M C 1.109 177.442 176.300 0.055 0.000 1.170 16 M CA -0.026 55.314 55.300 0.067 0.000 1.060 16 M CB 0.806 33.430 32.600 0.039 0.000 1.615 16 M HN 0.986 nan 8.290 nan 0.000 0.460 17 G N 4.607 113.428 108.800 0.035 0.000 2.774 17 G HA2 -0.412 3.548 3.960 -0.000 0.000 0.342 17 G HA3 -0.412 3.548 3.960 -0.000 0.000 0.342 17 G C 1.071 175.974 174.900 0.005 0.000 1.185 17 G CA 1.049 46.155 45.100 0.009 0.000 0.956 17 G HN 0.694 nan 8.290 nan 0.000 0.561 18 R N 0.919 121.417 120.500 -0.002 0.000 2.148 18 R HA 0.095 4.435 4.340 -0.000 0.000 0.227 18 R C 2.172 178.470 176.300 -0.004 0.000 1.103 18 R CA 1.578 57.671 56.100 -0.010 0.000 0.983 18 R CB -0.263 30.028 30.300 -0.014 0.000 0.874 18 R HN 0.531 nan 8.270 nan 0.000 0.451 19 D N 0.367 120.777 120.400 0.017 0.000 2.137 19 D HA -0.029 4.611 4.640 -0.000 0.000 0.202 19 D C 1.846 178.149 176.300 0.004 0.000 0.970 19 D CA 1.465 55.473 54.000 0.013 0.000 0.837 19 D CB -0.248 40.593 40.800 0.069 0.000 0.981 19 D HN 0.222 nan 8.370 nan 0.000 0.475 20 A N 0.803 123.666 122.820 0.072 0.000 1.898 20 A HA -0.200 4.120 4.320 -0.000 0.000 0.216 20 A C 2.116 179.721 177.584 0.036 0.000 1.181 20 A CA 1.310 53.403 52.037 0.094 0.000 0.620 20 A CB -0.584 18.495 19.000 0.132 0.000 0.819 20 A HN 0.178 nan 8.150 nan 0.000 0.442 21 Q N -1.135 118.673 119.800 0.014 0.000 2.124 21 Q HA -0.144 4.196 4.340 -0.000 0.000 0.202 21 Q C 2.342 178.330 176.000 -0.021 0.000 0.977 21 Q CA 1.606 57.406 55.803 -0.005 0.000 0.850 21 Q CB -0.130 28.596 28.738 -0.020 0.000 0.901 21 Q HN 0.659 nan 8.270 nan 0.000 0.429 22 R N -0.186 120.295 120.500 -0.032 0.000 2.153 22 R HA -0.067 4.273 4.340 -0.000 0.000 0.218 22 R C 2.080 178.339 176.300 -0.069 0.000 1.072 22 R CA 0.674 56.746 56.100 -0.048 0.000 0.990 22 R CB 0.046 30.318 30.300 -0.047 0.000 0.889 22 R HN 0.169 nan 8.270 nan 0.000 0.452 23 M N 1.006 120.557 119.600 -0.081 0.000 2.086 23 M HA -0.126 4.354 4.480 -0.000 0.000 0.261 23 M C 1.247 177.511 176.300 -0.060 0.000 1.067 23 M CA 1.789 57.031 55.300 -0.097 0.000 1.116 23 M CB -0.214 32.275 32.600 -0.186 0.000 1.348 23 M HN 0.083 nan 8.290 nan 0.000 0.407 24 N N 0.186 118.877 118.700 -0.016 0.000 2.109 24 N HA -0.041 4.699 4.740 -0.000 0.000 0.188 24 N C 1.878 177.336 175.510 -0.088 0.000 1.034 24 N CA 1.789 54.822 53.050 -0.029 0.000 0.846 24 N CB -0.612 37.895 38.487 0.033 0.000 1.010 24 N HN 0.414 nan 8.380 nan 0.000 0.425 25 I N 0.923 121.459 120.570 -0.057 0.000 2.248 25 I HA -0.245 3.925 4.170 -0.000 0.000 0.248 25 I C 2.255 178.326 176.117 -0.077 0.000 1.107 25 I CA 0.823 62.092 61.300 -0.052 0.000 1.373 25 I CB -0.118 37.861 38.000 -0.036 0.000 1.055 25 I HN 0.113 nan 8.210 nan 0.000 0.418 26 L N 0.354 121.518 121.223 -0.098 0.000 2.072 26 L HA -0.141 4.199 4.340 -0.000 0.000 0.205 26 L C 2.716 179.490 176.870 -0.159 0.000 1.079 26 L CA 1.405 56.180 54.840 -0.109 0.000 0.752 26 L CB -0.280 41.718 42.059 -0.103 0.000 0.906 26 L HN 0.196 nan 8.230 nan 0.000 0.436 27 A N -0.413 122.244 122.820 -0.272 0.000 1.972 27 A HA -0.134 4.186 4.320 -0.000 0.000 0.219 27 A C 2.216 179.664 177.584 -0.227 0.000 1.169 27 A CA 1.630 53.422 52.037 -0.408 0.000 0.635 27 A CB -1.177 17.201 19.000 -1.036 0.000 0.810 27 A HN 0.535 nan 8.150 nan 0.000 0.446 28 G N -1.025 107.681 108.800 -0.156 0.000 2.408 28 G HA2 -0.113 3.847 3.960 -0.000 0.000 0.215 28 G HA3 -0.113 3.847 3.960 -0.000 0.000 0.215 28 G C 1.727 176.585 174.900 -0.069 0.000 1.156 28 G CA 0.548 45.595 45.100 -0.089 0.000 0.793 28 G HN 0.512 nan 8.290 nan 0.000 0.535 29 R N -0.418 120.040 120.500 -0.070 0.000 2.120 29 R HA 0.138 4.478 4.340 -0.000 0.000 0.234 29 R C 2.330 178.596 176.300 -0.057 0.000 1.123 29 R CA 0.731 56.798 56.100 -0.056 0.000 0.975 29 R CB -0.260 30.009 30.300 -0.052 0.000 0.866 29 R HN 0.383 nan 8.270 nan 0.000 0.446 30 I N 1.056 121.583 120.570 -0.070 0.000 2.500 30 I HA -0.159 4.011 4.170 -0.000 0.000 0.252 30 I C 2.063 178.150 176.117 -0.049 0.000 1.142 30 I CA 0.885 62.149 61.300 -0.060 0.000 1.451 30 I CB 0.195 38.153 38.000 -0.070 0.000 1.093 30 I HN 0.126 nan 8.210 nan 0.000 0.430 31 I N -1.852 118.687 120.570 -0.052 0.000 3.059 31 I HA 0.105 4.275 4.170 -0.000 0.000 0.270 31 I C 2.246 178.344 176.117 -0.032 0.000 1.238 31 I CA 0.963 62.241 61.300 -0.036 0.000 1.478 31 I CB -0.424 37.557 38.000 -0.031 0.000 1.097 31 I HN -0.011 nan 8.210 nan 0.000 0.455 32 A N 1.359 124.157 122.820 -0.037 0.000 2.066 32 A HA -0.043 4.277 4.320 -0.000 0.000 0.218 32 A C 2.138 179.702 177.584 -0.034 0.000 1.157 32 A CA 1.141 53.157 52.037 -0.035 0.000 0.670 32 A CB -0.477 18.499 19.000 -0.039 0.000 0.804 32 A HN 0.575 nan 8.150 nan 0.000 0.453 33 E N -0.887 119.293 120.200 -0.034 0.000 2.385 33 E HA -0.035 4.315 4.350 -0.000 0.000 0.194 33 E C 1.451 178.035 176.600 -0.027 0.000 1.013 33 E CA 0.857 57.239 56.400 -0.031 0.000 0.866 33 E CB 0.010 29.691 29.700 -0.032 0.000 0.832 33 E HN 0.541 nan 8.360 nan 0.000 0.500 34 T N 0.421 114.960 114.554 -0.025 0.000 2.951 34 T HA -0.091 4.258 4.350 -0.000 0.000 0.268 34 T C 1.935 176.624 174.700 -0.019 0.000 1.073 34 T CA 1.222 63.310 62.100 -0.020 0.000 1.134 34 T CB 0.123 68.981 68.868 -0.018 0.000 0.884 34 T HN 0.171 nan 8.240 nan 0.000 0.479 35 V N -1.202 118.700 119.914 -0.020 0.000 3.660 35 V HA 0.356 4.476 4.120 -0.000 0.000 0.276 35 V C 2.013 178.094 176.094 -0.022 0.000 1.317 35 V CA -0.003 62.286 62.300 -0.019 0.000 1.097 35 V CB -0.525 31.288 31.823 -0.017 0.000 0.863 35 V HN 0.160 nan 8.190 nan 0.000 0.438 36 R N 2.158 122.642 120.500 -0.025 0.000 2.127 36 R HA -0.112 4.227 4.340 -0.000 0.000 0.238 36 R C 2.437 178.720 176.300 -0.028 0.000 1.134 36 R CA 1.841 57.924 56.100 -0.029 0.000 0.975 36 R CB -0.335 29.946 30.300 -0.031 0.000 0.865 36 R HN 0.783 nan 8.270 nan 0.000 0.447 37 S N -0.707 114.978 115.700 -0.024 0.000 2.607 37 S HA -0.061 4.408 4.470 -0.000 0.000 0.224 37 S C 1.676 176.263 174.600 -0.021 0.000 0.969 37 S CA 1.019 59.205 58.200 -0.024 0.000 0.927 37 S CB 0.075 63.262 63.200 -0.021 0.000 0.772 37 S HN 0.407 nan 8.310 nan 0.000 0.533 38 T N -0.813 113.729 114.554 -0.020 0.000 3.065 38 T HA 0.317 4.667 4.350 -0.000 0.000 0.252 38 T C 0.467 175.157 174.700 -0.017 0.000 1.099 38 T CA -0.397 61.694 62.100 -0.015 0.000 1.063 38 T CB -0.476 68.385 68.868 -0.011 0.000 0.948 38 T HN 0.383 nan 8.240 nan 0.000 0.506 39 L N 2.257 123.466 121.223 -0.024 0.000 2.361 39 L HA 0.543 4.883 4.340 -0.000 0.000 0.278 39 L C 0.754 177.603 176.870 -0.035 0.000 1.113 39 L CA 1.035 55.859 54.840 -0.027 0.000 0.849 39 L CB -0.257 41.783 42.059 -0.032 0.000 1.155 39 L HN 0.708 nan 8.230 nan 0.000 0.452 40 G N 4.162 112.944 108.800 -0.031 0.000 2.541 40 G HA2 -0.152 3.808 3.960 -0.000 0.000 0.686 40 G HA3 -0.152 3.808 3.960 -0.000 0.000 0.686 40 G C -2.671 172.210 174.900 -0.032 0.000 1.286 40 G CA -0.479 44.594 45.100 -0.045 0.000 0.894 40 G HN 0.433 nan 8.290 nan 0.000 0.575 41 P HA 0.090 nan 4.420 nan 0.000 0.222 41 P C 1.286 178.571 177.300 -0.024 0.000 1.153 41 P CA 1.127 64.229 63.100 0.005 0.000 0.798 41 P CB 0.170 31.881 31.700 0.018 0.000 0.796 42 K N -0.220 120.120 120.400 -0.100 0.000 2.446 42 K HA 0.261 4.581 4.320 -0.000 0.000 0.203 42 K C 1.054 177.626 176.600 -0.046 0.000 1.027 42 K CA -0.004 56.235 56.287 -0.079 0.000 1.166 42 K CB 0.194 32.613 32.500 -0.136 0.000 0.869 42 K HN 0.087 nan 8.250 nan 0.000 0.504 43 G N 0.827 109.607 108.800 -0.034 0.000 2.537 43 G HA2 0.386 4.346 3.960 -0.000 0.000 0.273 43 G HA3 0.386 4.346 3.960 -0.000 0.000 0.273 43 G C -0.002 174.892 174.900 -0.011 0.000 1.189 43 G CA -0.472 44.614 45.100 -0.024 0.000 0.881 43 G HN -0.053 nan 8.290 nan 0.000 0.535 44 M N 0.538 120.131 119.600 -0.011 0.000 2.578 44 M HA 0.337 4.817 4.480 -0.000 0.000 0.321 44 M C -0.915 175.381 176.300 -0.006 0.000 1.182 44 M CA -0.781 54.514 55.300 -0.007 0.000 0.965 44 M CB 1.947 34.542 32.600 -0.010 0.000 1.694 44 M HN 0.365 nan 8.290 nan 0.000 0.461 45 D N 1.648 122.046 120.400 -0.004 0.000 2.348 45 D HA 0.420 5.059 4.640 -0.000 0.000 0.249 45 D C -0.192 176.102 176.300 -0.010 0.000 1.110 45 D CA -0.106 53.891 54.000 -0.005 0.000 0.967 45 D CB 1.082 41.880 40.800 -0.003 0.000 1.139 45 D HN 0.179 nan 8.370 nan 0.000 0.466 46 K N 0.577 120.970 120.400 -0.010 0.000 2.259 46 K HA 0.450 4.770 4.320 -0.000 0.000 0.249 46 K C -0.541 176.048 176.600 -0.020 0.000 0.942 46 K CA -0.768 55.511 56.287 -0.014 0.000 0.816 46 K CB 2.475 34.968 32.500 -0.011 0.000 1.155 46 K HN 0.403 nan 8.250 nan 0.000 0.428 47 M N 3.425 123.010 119.600 -0.025 0.000 2.101 47 M HA 0.288 4.768 4.480 -0.000 0.000 0.340 47 M C -1.643 174.639 176.300 -0.029 0.000 1.057 47 M CA -0.864 54.414 55.300 -0.037 0.000 0.984 47 M CB 0.482 33.054 32.600 -0.047 0.000 1.560 47 M HN 0.362 nan 8.290 nan 0.000 0.435 48 L N 6.165 127.372 121.223 -0.027 0.000 2.296 48 L HA 0.621 4.961 4.340 -0.000 0.000 0.286 48 L C -0.825 176.036 176.870 -0.016 0.000 1.023 48 L CA -0.380 54.451 54.840 -0.015 0.000 0.812 48 L CB 1.806 43.862 42.059 -0.005 0.000 1.223 48 L HN 0.454 nan 8.230 nan 0.000 0.421 49 V N 1.924 121.831 119.914 -0.012 0.000 2.628 49 V HA 0.580 4.699 4.120 -0.000 0.000 0.306 49 V C -0.361 175.734 176.094 0.001 0.000 1.045 49 V CA -0.780 61.516 62.300 -0.007 0.000 0.905 49 V CB 1.849 33.665 31.823 -0.011 0.000 0.997 49 V HN 0.831 nan 8.190 nan 0.000 0.436 50 D N 1.693 122.097 120.400 0.006 0.000 2.589 50 D HA 0.210 4.850 4.640 -0.000 0.000 0.268 50 D C 0.583 176.888 176.300 0.007 0.000 1.182 50 D CA -0.169 53.836 54.000 0.008 0.000 1.087 50 D CB 0.331 41.138 40.800 0.012 0.000 1.186 50 D HN 0.519 nan 8.370 nan 0.000 0.620 51 D N -0.960 119.445 120.400 0.008 0.000 2.277 51 D HA -0.051 4.589 4.640 -0.000 0.000 0.208 51 D C 1.818 178.123 176.300 0.008 0.000 0.962 51 D CA 0.624 54.629 54.000 0.007 0.000 0.865 51 D CB -0.345 40.460 40.800 0.007 0.000 0.939 51 D HN 0.255 nan 8.370 nan 0.000 0.510 52 L N -0.757 120.472 121.223 0.010 0.000 2.509 52 L HA 0.318 4.658 4.340 -0.000 0.000 0.222 52 L C 1.657 178.535 176.870 0.014 0.000 1.123 52 L CA 0.578 55.425 54.840 0.012 0.000 0.856 52 L CB 0.101 42.168 42.059 0.014 0.000 0.985 52 L HN 0.398 nan 8.230 nan 0.000 0.456 53 G N -0.770 108.037 108.800 0.013 0.000 2.176 53 G HA2 -0.215 3.744 3.960 -0.000 0.000 0.232 53 G HA3 -0.215 3.744 3.960 -0.000 0.000 0.232 53 G C -0.143 174.769 174.900 0.021 0.000 0.986 53 G CA -0.267 44.841 45.100 0.013 0.000 0.643 53 G HN 0.275 nan 8.290 nan 0.000 0.522 54 D N 0.713 121.130 120.400 0.028 0.000 2.371 54 D HA 0.386 5.026 4.640 -0.000 0.000 0.256 54 D C 0.360 176.686 176.300 0.043 0.000 1.193 54 D CA 0.256 54.285 54.000 0.048 0.000 0.881 54 D CB 2.018 42.847 40.800 0.047 0.000 1.143 54 D HN 0.335 nan 8.370 nan 0.000 0.473 55 V N 3.488 123.432 119.914 0.050 0.000 2.472 55 V HA 0.486 4.606 4.120 -0.000 0.000 0.290 55 V C -0.753 175.344 176.094 0.006 0.000 1.037 55 V CA -0.507 61.779 62.300 -0.022 0.000 0.908 55 V CB 1.952 33.701 31.823 -0.124 0.000 0.985 55 V HN 0.240 nan 8.190 nan 0.000 0.454 56 V N 7.059 126.965 119.914 -0.013 0.000 2.525 56 V HA 0.543 4.663 4.120 -0.000 0.000 0.299 56 V C -0.702 175.379 176.094 -0.022 0.000 1.034 56 V CA -0.305 62.011 62.300 0.027 0.000 0.863 56 V CB 2.242 34.114 31.823 0.082 0.000 0.999 56 V HN 0.767 nan 8.190 nan 0.000 0.423 57 V N 6.045 125.936 119.914 -0.039 0.000 2.370 57 V HA 0.718 4.837 4.120 -0.000 0.000 0.279 57 V C 0.224 176.323 176.094 0.008 0.000 1.029 57 V CA 0.071 62.352 62.300 -0.031 0.000 0.870 57 V CB 1.433 33.222 31.823 -0.057 0.000 0.984 57 V HN 0.980 nan 8.190 nan 0.000 0.451 58 T N 2.894 117.451 114.554 0.005 0.000 2.853 58 T HA 0.287 4.637 4.350 -0.000 0.000 0.311 58 T C 0.262 174.966 174.700 0.006 0.000 1.307 58 T CA -0.525 61.582 62.100 0.012 0.000 1.019 58 T CB 1.940 70.818 68.868 0.017 0.000 1.264 58 T HN 0.615 nan 8.240 nan 0.000 0.497 59 N N 1.364 120.069 118.700 0.008 0.000 2.254 59 N HA 0.060 4.800 4.740 -0.000 0.000 0.190 59 N C -0.379 175.133 175.510 0.004 0.000 1.107 59 N CA -0.029 53.024 53.050 0.005 0.000 0.869 59 N CB 0.357 38.848 38.487 0.008 0.000 0.983 59 N HN 0.626 nan 8.380 nan 0.000 0.487 60 D N -0.240 120.164 120.400 0.006 0.000 2.401 60 D HA 0.155 4.795 4.640 -0.000 0.000 0.254 60 D C 1.359 177.660 176.300 0.002 0.000 1.192 60 D CA 0.149 54.152 54.000 0.005 0.000 0.885 60 D CB 1.122 41.927 40.800 0.008 0.000 1.147 60 D HN 0.265 nan 8.370 nan 0.000 0.478 61 G N 2.645 111.444 108.800 -0.001 0.000 2.453 61 G HA2 -0.238 3.721 3.960 -0.000 0.000 0.215 61 G HA3 -0.238 3.721 3.960 -0.000 0.000 0.215 61 G C 1.565 176.464 174.900 -0.002 0.000 1.201 61 G CA 0.692 45.789 45.100 -0.004 0.000 0.784 61 G HN 0.494 nan 8.290 nan 0.000 0.545 62 V N 1.841 121.755 119.914 -0.000 0.000 2.392 62 V HA -0.208 3.912 4.120 -0.000 0.000 0.249 62 V C 3.274 179.370 176.094 0.003 0.000 1.059 62 V CA 3.345 65.645 62.300 0.001 0.000 1.051 62 V CB -0.863 30.961 31.823 0.002 0.000 0.658 62 V HN 0.642 nan 8.190 nan 0.000 0.455 63 T N -2.010 112.547 114.554 0.005 0.000 2.915 63 T HA -0.102 4.248 4.350 -0.000 0.000 0.269 63 T C 1.782 176.486 174.700 0.007 0.000 1.071 63 T CA 1.773 63.877 62.100 0.007 0.000 1.132 63 T CB -0.505 68.370 68.868 0.010 0.000 0.878 63 T HN 0.516 nan 8.240 nan 0.000 0.479 64 I N 0.835 121.407 120.570 0.004 0.000 2.163 64 I HA -0.054 4.116 4.170 -0.000 0.000 0.240 64 I C 2.523 178.642 176.117 0.002 0.000 1.081 64 I CA 1.185 62.487 61.300 0.002 0.000 1.353 64 I CB -0.379 37.620 38.000 -0.001 0.000 1.054 64 I HN 0.185 nan 8.210 nan 0.000 0.407 65 L N 0.111 121.335 121.223 0.001 0.000 2.046 65 L HA -0.187 4.152 4.340 -0.000 0.000 0.208 65 L C 2.777 179.651 176.870 0.006 0.000 1.077 65 L CA 1.347 56.188 54.840 0.002 0.000 0.747 65 L CB -0.615 41.444 42.059 0.001 0.000 0.896 65 L HN 0.159 nan 8.230 nan 0.000 0.432 66 R N 0.327 120.831 120.500 0.006 0.000 2.073 66 R HA -0.109 4.231 4.340 -0.000 0.000 0.234 66 R C 0.895 177.201 176.300 0.009 0.000 1.134 66 R CA 1.181 57.286 56.100 0.008 0.000 0.952 66 R CB -0.084 30.221 30.300 0.008 0.000 0.850 66 R HN 0.411 nan 8.270 nan 0.000 0.433 67 E N 0.918 121.123 120.200 0.009 0.000 2.411 67 E HA 0.109 4.459 4.350 -0.000 0.000 0.228 67 E C -0.296 176.310 176.600 0.009 0.000 1.169 67 E CA -0.199 56.207 56.400 0.010 0.000 1.421 67 E CB 0.368 30.076 29.700 0.013 0.000 1.333 67 E HN 0.262 nan 8.360 nan 0.000 0.434 68 M N -2.287 117.318 119.600 0.009 0.000 2.446 68 M HA 0.473 4.953 4.480 -0.000 0.000 0.294 68 M C -0.797 175.510 176.300 0.011 0.000 1.158 68 M CA -0.781 54.524 55.300 0.008 0.000 0.899 68 M CB 2.154 34.757 32.600 0.005 0.000 1.687 68 M HN -0.329 nan 8.290 nan 0.000 0.455 69 S N 2.577 118.284 115.700 0.012 0.000 2.686 69 S HA 0.322 4.792 4.470 -0.000 0.000 0.324 69 S C -0.247 174.365 174.600 0.020 0.000 1.172 69 S CA -0.512 57.697 58.200 0.015 0.000 1.127 69 S CB -0.682 62.526 63.200 0.013 0.000 1.338 69 S HN 0.457 nan 8.310 nan 0.000 0.547 70 V N 3.970 123.898 119.914 0.024 0.000 2.394 70 V HA 0.319 4.439 4.120 -0.000 0.000 0.282 70 V C 0.810 176.930 176.094 0.044 0.000 1.031 70 V CA -0.402 61.919 62.300 0.035 0.000 0.881 70 V CB 1.578 33.420 31.823 0.032 0.000 0.982 70 V HN 0.660 nan 8.190 nan 0.000 0.451 71 E N 1.027 121.262 120.200 0.059 0.000 2.453 71 E HA 0.080 4.430 4.350 -0.000 0.000 0.211 71 E C 0.539 177.181 176.600 0.069 0.000 0.897 71 E CA -0.065 56.365 56.400 0.050 0.000 1.063 71 E CB 0.241 29.959 29.700 0.031 0.000 1.080 71 E HN 0.692 nan 8.360 nan 0.000 0.512 72 H N 3.880 122.958 119.070 0.013 0.000 2.955 72 H HA 0.038 4.594 4.556 -0.000 0.000 0.290 72 H C -1.535 173.803 175.328 0.018 0.000 1.047 72 H CA -1.608 54.450 56.048 0.016 0.000 1.484 72 H CB 1.186 30.951 29.762 0.005 0.000 1.501 72 H HN -0.136 nan 8.280 nan 0.000 0.521 73 P HA -0.203 nan 4.420 nan 0.000 0.217 73 P C 1.112 178.531 177.300 0.198 0.000 1.151 73 P CA 1.877 65.056 63.100 0.133 0.000 0.849 73 P CB 0.117 31.850 31.700 0.054 0.000 0.787 74 A N 0.073 123.107 122.820 0.357 0.000 1.929 74 A HA 0.043 4.363 4.320 -0.000 0.000 0.216 74 A C 2.462 180.077 177.584 0.053 0.000 1.176 74 A CA 1.838 53.966 52.037 0.152 0.000 0.628 74 A CB -1.358 17.692 19.000 0.084 0.000 0.816 74 A HN 0.230 nan 8.150 nan 0.000 0.444 75 A N 0.128 122.972 122.820 0.040 0.000 1.898 75 A HA -0.132 4.188 4.320 -0.000 0.000 0.216 75 A C 2.053 179.657 177.584 0.034 0.000 1.181 75 A CA 1.743 53.783 52.037 0.004 0.000 0.620 75 A CB -0.445 18.550 19.000 -0.007 0.000 0.819 75 A HN 0.508 nan 8.150 nan 0.000 0.442 76 K N -0.931 119.506 120.400 0.062 0.000 2.160 76 K HA -0.085 4.235 4.320 -0.000 0.000 0.206 76 K C 1.837 178.458 176.600 0.036 0.000 1.047 76 K CA 1.737 58.051 56.287 0.046 0.000 0.930 76 K CB -0.244 32.286 32.500 0.050 0.000 0.720 76 K HN 0.505 nan 8.250 nan 0.000 0.450 77 M N -0.298 119.326 119.600 0.040 0.000 2.506 77 M HA -0.030 4.450 4.480 -0.000 0.000 0.260 77 M C 1.482 177.797 176.300 0.024 0.000 1.104 77 M CA 0.583 55.903 55.300 0.034 0.000 1.112 77 M CB 0.291 32.915 32.600 0.041 0.000 1.401 77 M HN 0.075 nan 8.290 nan 0.000 0.473 78 L N -0.280 120.954 121.223 0.017 0.000 2.477 78 L HA 0.130 4.470 4.340 -0.000 0.000 0.220 78 L C 1.765 178.638 176.870 0.005 0.000 1.106 78 L CA 0.841 55.686 54.840 0.008 0.000 0.851 78 L CB -0.009 42.047 42.059 -0.004 0.000 0.994 78 L HN 0.184 nan 8.230 nan 0.000 0.462 79 I N -0.831 119.744 120.570 0.009 0.000 2.439 79 I HA -0.181 3.989 4.170 -0.000 0.000 0.251 79 I C 1.992 178.114 176.117 0.009 0.000 1.139 79 I CA 0.598 61.903 61.300 0.007 0.000 1.438 79 I CB -0.232 37.774 38.000 0.011 0.000 1.085 79 I HN 0.238 nan 8.210 nan 0.000 0.427 80 E N 0.582 120.789 120.200 0.013 0.000 2.219 80 E HA -0.187 4.163 4.350 -0.000 0.000 0.198 80 E C 2.364 178.971 176.600 0.011 0.000 0.998 80 E CA 1.185 57.593 56.400 0.013 0.000 0.818 80 E CB -0.232 29.479 29.700 0.017 0.000 0.741 80 E HN 0.381 nan 8.360 nan 0.000 0.477 81 V N 1.162 121.082 119.914 0.010 0.000 2.453 81 V HA -0.194 3.926 4.120 -0.000 0.000 0.247 81 V C 2.364 178.460 176.094 0.004 0.000 1.048 81 V CA 1.718 64.023 62.300 0.007 0.000 1.049 81 V CB -0.590 31.236 31.823 0.005 0.000 0.672 81 V HN 0.257 nan 8.190 nan 0.000 0.457 82 A N -0.545 122.276 122.820 0.002 0.000 1.930 82 A HA -0.137 4.183 4.320 -0.000 0.000 0.215 82 A C 2.312 179.898 177.584 0.002 0.000 1.176 82 A CA 1.582 53.619 52.037 0.000 0.000 0.632 82 A CB -0.373 18.626 19.000 -0.002 0.000 0.819 82 A HN 0.451 nan 8.150 nan 0.000 0.445 83 K N -0.185 120.218 120.400 0.005 0.000 2.097 83 K HA -0.136 4.184 4.320 -0.000 0.000 0.206 83 K C 1.735 178.338 176.600 0.005 0.000 1.049 83 K CA 1.788 58.078 56.287 0.005 0.000 0.933 83 K CB -0.172 32.332 32.500 0.007 0.000 0.717 83 K HN 0.607 nan 8.250 nan 0.000 0.442 84 T N -2.136 112.422 114.554 0.006 0.000 3.144 84 T HA 0.031 4.380 4.350 -0.000 0.000 0.249 84 T C 1.405 176.108 174.700 0.005 0.000 1.089 84 T CA 0.070 62.173 62.100 0.006 0.000 0.989 84 T CB 0.528 69.401 68.868 0.008 0.000 0.992 84 T HN 0.150 nan 8.240 nan 0.000 0.540 85 Q N 1.973 121.775 119.800 0.004 0.000 2.226 85 Q HA 0.036 4.376 4.340 -0.000 0.000 0.199 85 Q C 2.200 178.201 176.000 0.002 0.000 0.945 85 Q CA 1.413 57.217 55.803 0.002 0.000 0.861 85 Q CB -0.082 28.656 28.738 0.000 0.000 0.953 85 Q HN 0.818 nan 8.270 nan 0.000 0.490 86 E N -0.304 119.897 120.200 0.002 0.000 2.150 86 E HA -0.225 4.125 4.350 -0.000 0.000 0.193 86 E C 1.744 178.345 176.600 0.001 0.000 0.985 86 E CA 1.185 57.586 56.400 0.001 0.000 0.814 86 E CB -0.160 29.541 29.700 0.001 0.000 0.752 86 E HN 0.060 nan 8.360 nan 0.000 0.466 87 K N 0.655 121.056 120.400 0.002 0.000 2.097 87 K HA -0.109 4.211 4.320 -0.000 0.000 0.206 87 K C 1.860 178.461 176.600 0.001 0.000 1.049 87 K CA 1.493 57.781 56.287 0.002 0.000 0.933 87 K CB 0.242 32.744 32.500 0.003 0.000 0.717 87 K HN 0.115 nan 8.250 nan 0.000 0.442 88 E N -1.167 119.034 120.200 0.002 0.000 2.340 88 E HA 0.062 4.412 4.350 -0.000 0.000 0.198 88 E C 1.475 178.075 176.600 0.001 0.000 0.961 88 E CA 0.520 56.921 56.400 0.002 0.000 0.905 88 E CB 0.805 30.507 29.700 0.003 0.000 0.884 88 E HN 0.110 nan 8.360 nan 0.000 0.491 89 V N -1.430 118.484 119.914 0.001 0.000 3.029 89 V HA 0.332 4.452 4.120 -0.000 0.000 0.230 89 V C 1.551 177.645 176.094 0.000 0.000 1.254 89 V CA 0.898 63.198 62.300 0.001 0.000 1.276 89 V CB 0.802 32.625 31.823 0.001 0.000 1.080 89 V HN 0.322 nan 8.190 nan 0.000 0.495 90 G N 0.462 109.262 108.800 0.000 0.000 2.376 90 G HA2 -0.181 3.778 3.960 -0.000 0.000 0.208 90 G HA3 -0.181 3.778 3.960 -0.000 0.000 0.208 90 G C -0.133 174.768 174.900 0.001 0.000 1.032 90 G CA 0.301 45.401 45.100 0.000 0.000 0.641 90 G HN 0.571 nan 8.290 nan 0.000 0.503 91 D N -0.799 119.602 120.400 0.001 0.000 2.490 91 D HA 0.599 5.238 4.640 -0.000 0.000 0.232 91 D C 0.906 177.206 176.300 0.000 0.000 1.053 91 D CA 0.785 54.786 54.000 0.002 0.000 0.914 91 D CB 1.123 41.925 40.800 0.003 0.000 1.431 91 D HN 1.444 nan 8.370 nan 0.000 0.483 92 G N 0.835 109.635 108.800 -0.001 0.000 2.131 92 G HA2 -0.280 3.680 3.960 -0.000 0.000 0.223 92 G HA3 -0.280 3.680 3.960 -0.000 0.000 0.223 92 G C 0.948 175.844 174.900 -0.006 0.000 0.990 92 G CA 0.964 46.061 45.100 -0.004 0.000 0.671 92 G HN 0.725 nan 8.290 nan 0.000 0.521 93 T N -3.010 111.541 114.554 -0.005 0.000 2.857 93 T HA -0.034 4.315 4.350 -0.000 0.000 0.266 93 T C 2.239 176.933 174.700 -0.010 0.000 1.048 93 T CA 2.436 64.533 62.100 -0.006 0.000 1.139 93 T CB -0.409 68.457 68.868 -0.003 0.000 0.874 93 T HN 0.279 nan 8.240 nan 0.000 0.455 94 T N 2.668 117.215 114.554 -0.011 0.000 2.812 94 T HA -0.079 4.271 4.350 -0.000 0.000 0.264 94 T C 2.466 177.152 174.700 -0.023 0.000 1.042 94 T CA 1.849 63.939 62.100 -0.016 0.000 1.140 94 T CB -0.913 67.946 68.868 -0.016 0.000 0.870 94 T HN 0.787 nan 8.240 nan 0.000 0.445 95 T N 1.310 115.850 114.554 -0.023 0.000 2.803 95 T HA -0.012 4.338 4.350 -0.000 0.000 0.269 95 T C 2.247 176.925 174.700 -0.035 0.000 1.052 95 T CA 1.084 63.166 62.100 -0.030 0.000 1.136 95 T CB -0.565 68.287 68.868 -0.027 0.000 0.864 95 T HN 0.347 nan 8.240 nan 0.000 0.467 96 A N 0.847 123.651 122.820 -0.027 0.000 1.929 96 A HA 0.171 4.491 4.320 -0.000 0.000 0.216 96 A C 2.581 180.146 177.584 -0.031 0.000 1.176 96 A CA 1.241 53.262 52.037 -0.026 0.000 0.628 96 A CB -0.801 18.191 19.000 -0.014 0.000 0.816 96 A HN 0.421 nan 8.150 nan 0.000 0.444 97 V N -0.639 119.259 119.914 -0.028 0.000 2.407 97 V HA -0.150 3.970 4.120 -0.000 0.000 0.245 97 V C 2.511 178.581 176.094 -0.039 0.000 1.041 97 V CA 1.670 63.953 62.300 -0.028 0.000 1.040 97 V CB -0.442 31.367 31.823 -0.022 0.000 0.671 97 V HN 0.340 nan 8.190 nan 0.000 0.455 98 V N -0.282 119.606 119.914 -0.043 0.000 2.515 98 V HA -0.186 3.934 4.120 -0.000 0.000 0.250 98 V C 2.376 178.427 176.094 -0.071 0.000 1.058 98 V CA 1.620 63.889 62.300 -0.052 0.000 1.064 98 V CB -0.184 31.610 31.823 -0.049 0.000 0.675 98 V HN 0.397 nan 8.190 nan 0.000 0.461 99 V N 0.186 120.050 119.914 -0.083 0.000 2.323 99 V HA -0.191 3.929 4.120 -0.000 0.000 0.244 99 V C 2.719 178.731 176.094 -0.137 0.000 1.041 99 V CA 1.827 64.050 62.300 -0.127 0.000 1.025 99 V CB -1.007 30.734 31.823 -0.138 0.000 0.656 99 V HN 0.544 nan 8.190 nan 0.000 0.451 100 A N 0.547 123.312 122.820 -0.092 0.000 1.948 100 A HA -0.177 4.143 4.320 -0.000 0.000 0.220 100 A C 2.383 179.938 177.584 -0.048 0.000 1.177 100 A CA 2.193 54.193 52.037 -0.062 0.000 0.636 100 A CB -1.242 17.740 19.000 -0.030 0.000 0.815 100 A HN 0.548 nan 8.150 nan 0.000 0.449 101 G N -0.757 108.012 108.800 -0.051 0.000 2.421 101 G HA2 -0.222 3.738 3.960 -0.000 0.000 0.216 101 G HA3 -0.222 3.738 3.960 -0.000 0.000 0.216 101 G C 1.452 176.324 174.900 -0.047 0.000 1.171 101 G CA 1.211 46.284 45.100 -0.044 0.000 0.775 101 G HN 0.576 nan 8.290 nan 0.000 0.543 102 E N -0.028 120.131 120.200 -0.069 0.000 2.347 102 E HA 0.095 4.445 4.350 -0.000 0.000 0.196 102 E C 2.413 178.967 176.600 -0.076 0.000 1.008 102 E CA 0.228 56.584 56.400 -0.073 0.000 0.852 102 E CB -0.239 29.404 29.700 -0.094 0.000 0.783 102 E HN 0.456 nan 8.360 nan 0.000 0.505 103 L N -0.288 120.876 121.223 -0.098 0.000 2.156 103 L HA -0.071 4.269 4.340 -0.000 0.000 0.208 103 L C 2.110 179.057 176.870 0.128 0.000 1.095 103 L CA 0.568 55.377 54.840 -0.052 0.000 0.770 103 L CB -0.191 41.777 42.059 -0.151 0.000 0.914 103 L HN 0.234 nan 8.230 nan 0.000 0.439 104 L N -0.689 120.569 121.223 0.059 0.000 2.072 104 L HA -0.157 4.183 4.340 -0.000 0.000 0.205 104 L C 2.805 179.693 176.870 0.030 0.000 1.079 104 L CA 0.973 55.844 54.840 0.052 0.000 0.752 104 L CB -0.425 41.642 42.059 0.014 0.000 0.906 104 L HN 0.219 nan 8.230 nan 0.000 0.436 105 R N 0.435 120.941 120.500 0.010 0.000 2.083 105 R HA -0.164 4.176 4.340 -0.000 0.000 0.237 105 R C 2.134 178.446 176.300 0.020 0.000 1.137 105 R CA 1.305 57.406 56.100 0.002 0.000 0.951 105 R CB 0.044 30.336 30.300 -0.013 0.000 0.851 105 R HN 0.116 nan 8.270 nan 0.000 0.434 106 K N -0.019 120.406 120.400 0.042 0.000 2.362 106 K HA -0.033 4.287 4.320 -0.000 0.000 0.200 106 K C 1.675 178.336 176.600 0.101 0.000 1.046 106 K CA 0.999 57.329 56.287 0.072 0.000 0.952 106 K CB 0.109 32.659 32.500 0.084 0.000 0.753 106 K HN 0.294 nan 8.250 nan 0.000 0.466 107 A N 1.645 124.522 122.820 0.095 0.000 1.935 107 A HA -0.129 4.191 4.320 -0.000 0.000 0.214 107 A C 1.988 179.563 177.584 -0.016 0.000 1.178 107 A CA 1.011 53.060 52.037 0.021 0.000 0.640 107 A CB -0.174 18.824 19.000 -0.003 0.000 0.825 107 A HN 0.464 nan 8.150 nan 0.000 0.447 108 E N 0.259 120.456 120.200 -0.005 0.000 2.285 108 E HA -0.129 4.221 4.350 -0.000 0.000 0.194 108 E C 1.318 177.912 176.600 -0.011 0.000 0.997 108 E CA 0.999 57.389 56.400 -0.016 0.000 0.845 108 E CB -0.319 29.370 29.700 -0.017 0.000 0.782 108 E HN 0.695 nan 8.360 nan 0.000 0.491 109 E N 0.857 121.058 120.200 0.001 0.000 2.204 109 E HA -0.080 4.270 4.350 -0.000 0.000 0.194 109 E C 1.975 178.576 176.600 0.003 0.000 0.989 109 E CA 0.787 57.189 56.400 0.004 0.000 0.824 109 E CB 0.012 29.720 29.700 0.013 0.000 0.756 109 E HN 0.389 nan 8.360 nan 0.000 0.477 110 L N 0.122 121.345 121.223 -0.000 0.000 2.249 110 L HA -0.029 4.311 4.340 -0.000 0.000 0.207 110 L C 2.209 179.067 176.870 -0.019 0.000 1.090 110 L CA 0.414 55.250 54.840 -0.007 0.000 0.802 110 L CB -0.111 41.939 42.059 -0.015 0.000 0.947 110 L HN 0.133 nan 8.230 nan 0.000 0.453 111 L N -0.349 120.856 121.223 -0.030 0.000 2.217 111 L HA -0.142 4.198 4.340 -0.000 0.000 0.211 111 L C 1.517 178.369 176.870 -0.030 0.000 1.107 111 L CA 0.893 55.709 54.840 -0.039 0.000 0.783 111 L CB -0.343 41.687 42.059 -0.048 0.000 0.919 111 L HN 0.208 nan 8.230 nan 0.000 0.442 112 D N -0.645 119.742 120.400 -0.021 0.000 2.347 112 D HA -0.095 4.545 4.640 -0.000 0.000 0.213 112 D C 1.579 177.872 176.300 -0.011 0.000 0.985 112 D CA 0.637 54.627 54.000 -0.017 0.000 0.879 112 D CB 0.175 40.966 40.800 -0.014 0.000 0.919 112 D HN 0.296 nan 8.370 nan 0.000 0.526 113 Q N 0.103 119.898 119.800 -0.009 0.000 2.222 113 Q HA 0.164 4.504 4.340 -0.000 0.000 0.206 113 Q C -0.147 175.851 176.000 -0.003 0.000 0.877 113 Q CA -0.124 55.676 55.803 -0.004 0.000 0.958 113 Q CB 0.388 29.126 28.738 0.001 0.000 1.075 113 Q HN 0.130 nan 8.270 nan 0.000 0.483 114 N N -0.813 117.881 118.700 -0.010 0.000 2.850 114 N HA -0.138 4.601 4.740 -0.000 0.000 0.249 114 N C -0.712 174.799 175.510 0.002 0.000 1.060 114 N CA 0.488 53.532 53.050 -0.009 0.000 0.825 114 N CB -1.472 37.015 38.487 -0.001 0.000 1.132 114 N HN 0.054 nan 8.380 nan 0.000 0.564 115 V N 2.520 122.435 119.914 0.002 0.000 2.446 115 V HA -0.002 4.118 4.120 -0.000 0.000 0.276 115 V C 1.246 177.358 176.094 0.030 0.000 1.030 115 V CA -0.197 62.116 62.300 0.021 0.000 1.033 115 V CB 0.600 32.428 31.823 0.008 0.000 0.993 115 V HN 0.229 nan 8.190 nan 0.000 0.477 116 H N 8.380 127.435 119.070 -0.025 0.000 3.064 116 H HA 0.001 4.557 4.556 -0.000 0.000 0.329 116 H C -1.596 173.709 175.328 -0.039 0.000 1.020 116 H CA -1.014 55.019 56.048 -0.025 0.000 1.402 116 H CB 1.504 31.254 29.762 -0.019 0.000 1.379 116 H HN 0.396 nan 8.280 nan 0.000 0.594 117 P HA -0.153 nan 4.420 nan 0.000 0.218 117 P C 1.458 178.819 177.300 0.102 0.000 1.148 117 P CA 2.277 65.387 63.100 0.017 0.000 0.822 117 P CB 0.081 31.753 31.700 -0.047 0.000 0.784 118 T N -3.489 111.242 114.554 0.296 0.000 2.904 118 T HA -0.075 4.275 4.350 -0.000 0.000 0.267 118 T C 1.699 176.424 174.700 0.042 0.000 1.059 118 T CA 0.842 63.018 62.100 0.126 0.000 1.137 118 T CB -0.872 68.025 68.868 0.048 0.000 0.879 118 T HN -0.092 nan 8.240 nan 0.000 0.467 119 I N 1.190 121.790 120.570 0.050 0.000 2.439 119 I HA 0.012 4.182 4.170 -0.000 0.000 0.251 119 I C 2.607 178.718 176.117 -0.010 0.000 1.139 119 I CA 0.385 61.693 61.300 0.012 0.000 1.438 119 I CB -1.169 36.844 38.000 0.021 0.000 1.085 119 I HN 0.190 nan 8.210 nan 0.000 0.427 120 V N 0.307 120.192 119.914 -0.048 0.000 2.283 120 V HA -0.176 3.944 4.120 -0.000 0.000 0.243 120 V C 2.567 178.530 176.094 -0.219 0.000 1.039 120 V CA 1.315 63.506 62.300 -0.181 0.000 1.016 120 V CB -0.447 31.218 31.823 -0.262 0.000 0.650 120 V HN 0.245 nan 8.190 nan 0.000 0.449 121 V N -0.141 119.700 119.914 -0.121 0.000 2.720 121 V HA -0.244 3.875 4.120 -0.000 0.000 0.256 121 V C 2.424 178.550 176.094 0.053 0.000 1.082 121 V CA 2.417 64.704 62.300 -0.022 0.000 1.101 121 V CB -0.367 31.463 31.823 0.011 0.000 0.693 121 V HN 0.583 nan 8.190 nan 0.000 0.479 122 K N -0.385 120.034 120.400 0.032 0.000 2.031 122 K HA -0.045 4.275 4.320 -0.000 0.000 0.205 122 K C 2.062 178.701 176.600 0.065 0.000 1.049 122 K CA 1.444 57.755 56.287 0.040 0.000 0.939 122 K CB -0.573 31.937 32.500 0.018 0.000 0.717 122 K HN 0.526 nan 8.250 nan 0.000 0.438 123 G N -0.462 108.388 108.800 0.083 0.000 2.422 123 G HA2 -0.215 3.745 3.960 -0.000 0.000 0.218 123 G HA3 -0.215 3.745 3.960 -0.000 0.000 0.218 123 G C 1.295 176.321 174.900 0.210 0.000 1.140 123 G CA 0.510 45.685 45.100 0.126 0.000 0.775 123 G HN 0.355 nan 8.290 nan 0.000 0.545 124 Y N 0.048 120.371 120.300 0.037 0.000 2.224 124 Y HA -0.142 4.407 4.550 -0.000 0.000 0.289 124 Y C 3.107 178.940 175.900 -0.112 0.000 1.146 124 Y CA 1.246 59.380 58.100 0.058 0.000 1.182 124 Y CB 0.183 38.760 38.460 0.194 0.000 0.983 124 Y HN 0.250 nan 8.280 nan 0.000 0.524 125 Q N -0.072 119.791 119.800 0.104 0.000 2.163 125 Q HA -0.110 4.230 4.340 -0.000 0.000 0.198 125 Q C 2.335 178.299 176.000 -0.059 0.000 0.954 125 Q CA 0.859 56.667 55.803 0.010 0.000 0.851 125 Q CB -0.039 28.725 28.738 0.044 0.000 0.928 125 Q HN 0.452 nan 8.270 nan 0.000 0.459 126 A N 0.552 123.360 122.820 -0.021 0.000 1.969 126 A HA -0.054 4.266 4.320 -0.000 0.000 0.218 126 A C 2.127 179.679 177.584 -0.053 0.000 1.169 126 A CA 1.503 53.544 52.037 0.007 0.000 0.635 126 A CB -0.528 18.518 19.000 0.076 0.000 0.810 126 A HN 0.490 nan 8.150 nan 0.000 0.445 127 A N -0.465 122.232 122.820 -0.206 0.000 1.930 127 A HA 0.368 4.688 4.320 -0.000 0.000 0.215 127 A C 2.381 179.549 177.584 -0.694 0.000 1.176 127 A CA 1.442 53.217 52.037 -0.436 0.000 0.632 127 A CB -0.730 17.884 19.000 -0.643 0.000 0.819 127 A HN 0.931 nan 8.150 nan 0.000 0.445 128 A N -0.887 121.479 122.820 -0.756 0.000 2.014 128 A HA -0.083 4.237 4.320 -0.000 0.000 0.218 128 A C 2.059 179.518 177.584 -0.207 0.000 1.163 128 A CA 1.554 53.325 52.037 -0.444 0.000 0.652 128 A CB -0.380 18.495 19.000 -0.208 0.000 0.808 128 A HN 0.602 nan 8.150 nan 0.000 0.449 129 Q N -0.416 119.271 119.800 -0.187 0.000 2.016 129 Q HA -0.199 4.141 4.340 -0.000 0.000 0.200 129 Q C 2.112 178.007 176.000 -0.175 0.000 0.978 129 Q CA 1.975 57.698 55.803 -0.132 0.000 0.833 129 Q CB -0.119 28.562 28.738 -0.096 0.000 0.895 129 Q HN 0.449 nan 8.270 nan 0.000 0.427 130 K N 0.130 120.366 120.400 -0.274 0.000 2.152 130 K HA -0.096 4.224 4.320 -0.000 0.000 0.206 130 K C 1.610 178.049 176.600 -0.267 0.000 1.048 130 K CA 1.374 57.426 56.287 -0.391 0.000 0.933 130 K CB -0.407 31.594 32.500 -0.832 0.000 0.721 130 K HN 0.282 nan 8.250 nan 0.000 0.447 131 A N 0.225 122.919 122.820 -0.210 0.000 1.969 131 A HA -0.140 4.180 4.320 -0.000 0.000 0.218 131 A C 1.982 179.526 177.584 -0.067 0.000 1.169 131 A CA 1.206 53.181 52.037 -0.103 0.000 0.635 131 A CB -0.369 18.614 19.000 -0.027 0.000 0.810 131 A HN 0.321 nan 8.150 nan 0.000 0.445 132 Q N -0.030 119.725 119.800 -0.075 0.000 2.083 132 Q HA -0.165 4.175 4.340 -0.000 0.000 0.198 132 Q C 1.925 177.894 176.000 -0.052 0.000 0.969 132 Q CA 1.681 57.455 55.803 -0.048 0.000 0.838 132 Q CB -0.333 28.379 28.738 -0.043 0.000 0.900 132 Q HN 1.000 nan 8.270 nan 0.000 0.436 133 E N -0.126 120.029 120.200 -0.076 0.000 2.435 133 E HA -0.026 4.324 4.350 -0.000 0.000 0.195 133 E C 1.875 178.435 176.600 -0.066 0.000 1.029 133 E CA 0.155 56.514 56.400 -0.067 0.000 0.865 133 E CB -0.092 29.562 29.700 -0.076 0.000 0.833 133 E HN 0.237 nan 8.360 nan 0.000 0.510 134 L N 0.505 121.681 121.223 -0.079 0.000 2.270 134 L HA 0.032 4.372 4.340 -0.000 0.000 0.210 134 L C 2.357 179.209 176.870 -0.030 0.000 1.104 134 L CA 0.370 55.175 54.840 -0.059 0.000 0.804 134 L CB -0.038 41.977 42.059 -0.073 0.000 0.937 134 L HN 0.166 nan 8.230 nan 0.000 0.450 135 L N -0.497 120.710 121.223 -0.026 0.000 2.217 135 L HA -0.154 4.186 4.340 -0.000 0.000 0.211 135 L C 2.386 179.250 176.870 -0.010 0.000 1.107 135 L CA 1.005 55.838 54.840 -0.011 0.000 0.783 135 L CB -0.209 41.846 42.059 -0.006 0.000 0.919 135 L HN 0.188 nan 8.230 nan 0.000 0.442 136 K N -0.526 119.864 120.400 -0.016 0.000 2.097 136 K HA -0.124 4.196 4.320 -0.000 0.000 0.205 136 K C 2.119 178.713 176.600 -0.010 0.000 1.050 136 K CA 1.815 58.094 56.287 -0.013 0.000 0.938 136 K CB -0.157 32.333 32.500 -0.017 0.000 0.718 136 K HN 0.427 nan 8.250 nan 0.000 0.442 137 T N -0.165 114.381 114.554 -0.012 0.000 2.942 137 T HA -0.048 4.302 4.350 -0.000 0.000 0.265 137 T C 1.846 176.543 174.700 -0.004 0.000 1.062 137 T CA 0.770 62.865 62.100 -0.009 0.000 1.139 137 T CB -0.439 68.423 68.868 -0.011 0.000 0.883 137 T HN 0.367 nan 8.240 nan 0.000 0.468 138 I N -0.427 120.142 120.570 -0.001 0.000 3.793 138 I HA 0.577 4.747 4.170 -0.000 0.000 0.315 138 I C 0.873 176.993 176.117 0.005 0.000 1.275 138 I CA -0.845 60.457 61.300 0.005 0.000 1.214 138 I CB -0.378 37.631 38.000 0.014 0.000 1.018 138 I HN 0.148 nan 8.210 nan 0.000 0.439 139 A N 1.319 124.140 122.820 0.002 0.000 2.309 139 A HA 0.464 4.784 4.320 -0.000 0.000 0.290 139 A C 0.240 177.825 177.584 0.001 0.000 1.206 139 A CA -0.423 51.615 52.037 0.003 0.000 0.850 139 A CB -0.105 18.896 19.000 0.001 0.000 1.118 139 A HN 0.516 nan 8.150 nan 0.000 0.523 140 C N 2.516 121.817 119.300 0.002 0.000 2.662 140 C HA 0.261 4.721 4.460 -0.000 0.000 0.420 140 C C 0.652 175.643 174.990 0.001 0.000 1.314 140 C CA -0.543 58.476 59.018 0.001 0.000 1.963 140 C CB -0.443 27.297 27.740 0.001 0.000 2.686 140 C HN 0.747 nan 8.230 nan 0.000 0.609 141 E N 1.536 121.736 120.200 -0.000 0.000 2.200 141 E HA 0.481 4.831 4.350 -0.000 0.000 0.283 141 E C -0.736 175.864 176.600 0.000 0.000 1.015 141 E CA -0.025 56.375 56.400 -0.000 0.000 0.819 141 E CB 1.527 31.226 29.700 -0.001 0.000 1.081 141 E HN 0.444 nan 8.360 nan 0.000 0.397 142 V N 1.593 121.508 119.914 0.001 0.000 2.709 142 V HA 0.431 4.551 4.120 -0.000 0.000 0.308 142 V C 0.456 176.550 176.094 0.001 0.000 1.062 142 V CA -1.036 61.265 62.300 0.001 0.000 0.901 142 V CB 2.273 34.097 31.823 0.002 0.000 1.003 142 V HN 0.766 nan 8.190 nan 0.000 0.425 143 G N 2.213 111.014 108.800 0.001 0.000 2.406 143 G HA2 0.426 4.386 3.960 -0.000 0.000 0.251 143 G HA3 0.426 4.386 3.960 -0.000 0.000 0.251 143 G C 1.005 175.906 174.900 0.002 0.000 1.271 143 G CA 0.263 45.364 45.100 0.002 0.000 0.859 143 G HN 1.179 nan 8.290 nan 0.000 0.540 144 A N 1.491 124.312 122.820 0.002 0.000 2.178 144 A HA -0.022 4.298 4.320 -0.000 0.000 0.218 144 A C 1.778 179.363 177.584 0.002 0.000 1.157 144 A CA 1.315 53.353 52.037 0.002 0.000 0.689 144 A CB -0.014 18.987 19.000 0.002 0.000 0.787 144 A HN 0.636 nan 8.150 nan 0.000 0.465 145 Q N -0.563 119.239 119.800 0.003 0.000 2.135 145 Q HA 0.072 4.411 4.340 -0.000 0.000 0.231 145 Q C -0.776 175.226 176.000 0.003 0.000 0.817 145 Q CA -0.256 55.549 55.803 0.003 0.000 1.073 145 Q CB 0.518 29.259 28.738 0.005 0.000 1.176 145 Q HN 0.400 nan 8.270 nan 0.000 0.478 146 D N 1.131 121.532 120.400 0.002 0.000 2.508 146 D HA 0.012 4.652 4.640 -0.000 0.000 0.224 146 D C 0.616 176.917 176.300 0.001 0.000 1.171 146 D CA 0.261 54.262 54.000 0.002 0.000 1.006 146 D CB 0.545 41.346 40.800 0.002 0.000 1.073 146 D HN 0.162 nan 8.370 nan 0.000 0.513 147 K N 1.724 122.125 120.400 0.001 0.000 2.147 147 K HA -0.191 4.129 4.320 -0.000 0.000 0.205 147 K C 1.627 178.227 176.600 0.000 0.000 1.049 147 K CA 1.144 57.431 56.287 0.001 0.000 0.936 147 K CB 0.226 32.726 32.500 0.001 0.000 0.722 147 K HN 0.524 nan 8.250 nan 0.000 0.446 148 E N 0.829 121.029 120.200 0.001 0.000 2.150 148 E HA -0.124 4.226 4.350 -0.000 0.000 0.193 148 E C 1.894 178.495 176.600 0.001 0.000 0.985 148 E CA 0.934 57.334 56.400 0.000 0.000 0.814 148 E CB -0.309 29.391 29.700 0.000 0.000 0.752 148 E HN 0.276 nan 8.360 nan 0.000 0.466 149 I N 0.853 121.424 120.570 0.002 0.000 2.400 149 I HA -0.153 4.017 4.170 -0.000 0.000 0.248 149 I C 2.346 178.464 176.117 0.003 0.000 1.109 149 I CA 0.598 61.900 61.300 0.002 0.000 1.425 149 I CB -0.159 37.843 38.000 0.003 0.000 1.094 149 I HN 0.085 nan 8.210 nan 0.000 0.425 150 L N 0.387 121.611 121.223 0.002 0.000 2.079 150 L HA -0.222 4.118 4.340 -0.000 0.000 0.210 150 L C 2.569 179.440 176.870 0.001 0.000 1.081 150 L CA 1.546 56.387 54.840 0.001 0.000 0.752 150 L CB -0.835 41.224 42.059 0.000 0.000 0.896 150 L HN 0.285 nan 8.230 nan 0.000 0.433 151 T N -0.889 113.665 114.554 0.001 0.000 2.857 151 T HA -0.147 4.203 4.350 -0.000 0.000 0.266 151 T C 1.889 176.590 174.700 0.002 0.000 1.048 151 T CA 1.009 63.109 62.100 0.000 0.000 1.139 151 T CB -0.019 68.849 68.868 -0.001 0.000 0.874 151 T HN 0.285 nan 8.240 nan 0.000 0.455 152 K N 0.577 120.979 120.400 0.003 0.000 2.097 152 K HA 0.078 4.398 4.320 -0.000 0.000 0.205 152 K C 2.105 178.710 176.600 0.009 0.000 1.050 152 K CA 0.962 57.253 56.287 0.006 0.000 0.938 152 K CB -0.225 32.280 32.500 0.007 0.000 0.718 152 K HN 0.314 nan 8.250 nan 0.000 0.442 153 I N 0.732 121.307 120.570 0.008 0.000 2.286 153 I HA -0.230 3.940 4.170 -0.000 0.000 0.245 153 I C 2.379 178.501 176.117 0.009 0.000 1.104 153 I CA 0.880 62.185 61.300 0.009 0.000 1.397 153 I CB -0.181 37.823 38.000 0.006 0.000 1.072 153 I HN 0.127 nan 8.210 nan 0.000 0.417 154 A N 0.012 122.836 122.820 0.006 0.000 1.969 154 A HA -0.217 4.102 4.320 -0.000 0.000 0.218 154 A C 2.256 179.845 177.584 0.008 0.000 1.169 154 A CA 1.549 53.589 52.037 0.006 0.000 0.635 154 A CB -0.495 18.506 19.000 0.002 0.000 0.810 154 A HN 0.382 nan 8.150 nan 0.000 0.445 155 M N -0.609 118.996 119.600 0.008 0.000 2.200 155 M HA -0.056 4.424 4.480 -0.000 0.000 0.265 155 M C 1.852 178.164 176.300 0.020 0.000 1.066 155 M CA 1.936 57.242 55.300 0.010 0.000 1.127 155 M CB -0.249 32.353 32.600 0.004 0.000 1.379 155 M HN 0.313 nan 8.290 nan 0.000 0.420 156 T N -0.992 113.576 114.554 0.024 0.000 2.995 156 T HA -0.062 4.288 4.350 -0.000 0.000 0.269 156 T C 1.900 176.619 174.700 0.032 0.000 1.091 156 T CA 1.434 63.554 62.100 0.035 0.000 1.128 156 T CB -0.227 68.659 68.868 0.031 0.000 0.891 156 T HN 0.452 nan 8.240 nan 0.000 0.492 157 S N 0.617 116.331 115.700 0.022 0.000 2.377 157 S HA 0.068 4.538 4.470 -0.000 0.000 0.223 157 S C 1.991 176.604 174.600 0.022 0.000 1.030 157 S CA 0.425 58.637 58.200 0.019 0.000 0.970 157 S CB -0.310 62.897 63.200 0.012 0.000 0.830 157 S HN 0.463 nan 8.310 nan 0.000 0.473 158 I N 1.355 121.938 120.570 0.021 0.000 2.252 158 I HA -0.080 4.090 4.170 -0.000 0.000 0.245 158 I C 0.883 177.021 176.117 0.034 0.000 1.102 158 I CA 0.592 61.906 61.300 0.022 0.000 1.385 158 I CB -0.883 37.127 38.000 0.016 0.000 1.064 158 I HN 0.223 nan 8.210 nan 0.000 0.414 159 T N 0.790 115.372 114.554 0.046 0.000 2.926 159 T HA 0.332 4.682 4.350 -0.000 0.000 0.307 159 T C 1.090 175.831 174.700 0.067 0.000 1.059 159 T CA 0.628 62.775 62.100 0.078 0.000 1.122 159 T CB 1.261 70.199 68.868 0.117 0.000 0.972 159 T HN 0.638 nan 8.240 nan 0.000 0.545 160 G N 1.870 110.712 108.800 0.071 0.000 2.308 160 G HA2 -0.240 3.720 3.960 -0.000 0.000 0.221 160 G HA3 -0.240 3.720 3.960 -0.000 0.000 0.221 160 G C 0.908 175.824 174.900 0.027 0.000 1.032 160 G CA 0.167 45.289 45.100 0.037 0.000 0.623 160 G HN 0.622 nan 8.290 nan 0.000 0.506 161 K N 1.096 121.515 120.400 0.032 0.000 2.426 161 K HA 0.449 4.769 4.320 -0.000 0.000 0.193 161 K C 0.940 177.561 176.600 0.035 0.000 1.028 161 K CA 0.734 57.037 56.287 0.027 0.000 1.047 161 K CB 0.507 33.021 32.500 0.023 0.000 0.821 161 K HN 1.371 nan 8.250 nan 0.000 0.513 162 G N -0.197 108.635 108.800 0.053 0.000 2.521 162 G HA2 0.086 4.046 3.960 -0.000 0.000 0.589 162 G HA3 0.086 4.046 3.960 -0.000 0.000 0.589 162 G C 0.169 175.121 174.900 0.088 0.000 1.501 162 G CA -0.477 44.665 45.100 0.071 0.000 0.887 162 G HN -0.024 nan 8.290 nan 0.000 0.654 163 A N 0.866 123.768 122.820 0.137 0.000 2.019 163 A HA 0.026 4.346 4.320 -0.000 0.000 0.219 163 A C 2.149 179.747 177.584 0.024 0.000 1.164 163 A CA 2.245 54.339 52.037 0.095 0.000 0.644 163 A CB -0.260 18.805 19.000 0.108 0.000 0.805 163 A HN 1.204 nan 8.150 nan 0.000 0.449 164 E N 0.641 120.861 120.200 0.033 0.000 2.274 164 E HA -0.162 4.188 4.350 -0.000 0.000 0.194 164 E C 1.467 178.073 176.600 0.010 0.000 0.996 164 E CA 1.323 57.731 56.400 0.014 0.000 0.840 164 E CB -0.318 29.394 29.700 0.019 0.000 0.772 164 E HN 0.626 nan 8.360 nan 0.000 0.491 165 K N 0.775 121.186 120.400 0.018 0.000 2.228 165 K HA 0.140 4.460 4.320 -0.000 0.000 0.202 165 K C 1.110 177.716 176.600 0.009 0.000 1.051 165 K CA 0.747 57.043 56.287 0.015 0.000 0.960 165 K CB 0.138 32.650 32.500 0.020 0.000 0.743 165 K HN 0.110 nan 8.250 nan 0.000 0.458 166 A N 2.518 125.342 122.820 0.008 0.000 3.026 166 A HA 0.039 4.359 4.320 -0.000 0.000 0.272 166 A C -0.305 177.271 177.584 -0.013 0.000 1.782 166 A CA 0.071 52.108 52.037 0.000 0.000 1.451 166 A CB -0.561 18.440 19.000 0.003 0.000 1.081 166 A HN 0.083 nan 8.150 nan 0.000 0.611 167 K N 0.671 121.065 120.400 -0.009 0.000 2.205 167 K HA 0.162 4.482 4.320 -0.000 0.000 0.279 167 K C 0.907 177.499 176.600 -0.012 0.000 1.027 167 K CA -0.529 55.750 56.287 -0.013 0.000 0.932 167 K CB 0.588 33.083 32.500 -0.008 0.000 1.032 167 K HN 0.577 nan 8.250 nan 0.000 0.466 168 E N 2.690 122.881 120.200 -0.016 0.000 2.070 168 E HA -0.248 4.102 4.350 -0.000 0.000 0.197 168 E C 0.885 177.480 176.600 -0.008 0.000 1.004 168 E CA 1.815 58.207 56.400 -0.013 0.000 0.805 168 E CB 0.188 29.878 29.700 -0.016 0.000 0.744 168 E HN 0.521 nan 8.360 nan 0.000 0.451 169 K N 0.234 120.630 120.400 -0.007 0.000 2.362 169 K HA -0.127 4.193 4.320 -0.000 0.000 0.200 169 K C 2.083 178.682 176.600 -0.002 0.000 1.046 169 K CA 0.307 56.592 56.287 -0.004 0.000 0.952 169 K CB -0.023 32.476 32.500 -0.002 0.000 0.753 169 K HN 0.038 nan 8.250 nan 0.000 0.466 170 L N 0.454 121.676 121.223 -0.002 0.000 2.127 170 L HA 0.041 4.381 4.340 -0.000 0.000 0.203 170 L C 2.144 179.013 176.870 -0.001 0.000 1.080 170 L CA 1.276 56.116 54.840 -0.000 0.000 0.768 170 L CB -0.385 41.674 42.059 0.001 0.000 0.924 170 L HN 0.036 nan 8.230 nan 0.000 0.444 171 A N -0.510 122.309 122.820 -0.002 0.000 1.902 171 A HA -0.222 4.098 4.320 -0.000 0.000 0.217 171 A C 2.135 179.718 177.584 -0.002 0.000 1.181 171 A CA 1.873 53.909 52.037 -0.001 0.000 0.623 171 A CB -0.615 18.384 19.000 -0.002 0.000 0.818 171 A HN 0.605 nan 8.150 nan 0.000 0.443 172 E N -0.378 119.821 120.200 -0.003 0.000 2.110 172 E HA -0.137 4.213 4.350 -0.000 0.000 0.193 172 E C 1.844 178.443 176.600 -0.003 0.000 0.988 172 E CA 1.126 57.524 56.400 -0.002 0.000 0.804 172 E CB -0.284 29.415 29.700 -0.002 0.000 0.745 172 E HN 0.699 nan 8.360 nan 0.000 0.458 173 I N 0.884 121.453 120.570 -0.002 0.000 2.226 173 I HA -0.275 3.895 4.170 -0.000 0.000 0.245 173 I C 2.276 178.390 176.117 -0.005 0.000 1.100 173 I CA 1.080 62.378 61.300 -0.002 0.000 1.374 173 I CB -0.127 37.872 38.000 -0.001 0.000 1.057 173 I HN 0.113 nan 8.210 nan 0.000 0.413 174 I N -0.314 120.253 120.570 -0.005 0.000 2.252 174 I HA -0.225 3.945 4.170 -0.000 0.000 0.245 174 I C 2.457 178.570 176.117 -0.008 0.000 1.102 174 I CA 0.986 62.282 61.300 -0.006 0.000 1.385 174 I CB -0.262 37.735 38.000 -0.004 0.000 1.064 174 I HN -0.012 nan 8.210 nan 0.000 0.414 175 V N 0.677 120.587 119.914 -0.006 0.000 2.407 175 V HA -0.302 3.818 4.120 -0.000 0.000 0.248 175 V C 2.427 178.516 176.094 -0.009 0.000 1.055 175 V CA 2.060 64.356 62.300 -0.006 0.000 1.049 175 V CB -0.626 31.195 31.823 -0.004 0.000 0.662 175 V HN 0.477 nan 8.190 nan 0.000 0.455 176 E N -0.147 120.048 120.200 -0.009 0.000 2.208 176 E HA -0.138 4.212 4.350 -0.000 0.000 0.193 176 E C 2.182 178.771 176.600 -0.018 0.000 0.988 176 E CA 1.028 57.421 56.400 -0.011 0.000 0.828 176 E CB -0.102 29.593 29.700 -0.008 0.000 0.763 176 E HN 0.600 nan 8.360 nan 0.000 0.478 177 A N 0.111 122.920 122.820 -0.018 0.000 1.930 177 A HA -0.041 4.279 4.320 -0.000 0.000 0.215 177 A C 2.257 179.825 177.584 -0.027 0.000 1.176 177 A CA 0.757 52.779 52.037 -0.025 0.000 0.632 177 A CB -0.201 18.786 19.000 -0.022 0.000 0.819 177 A HN 0.186 nan 8.150 nan 0.000 0.445 178 V N -0.207 119.695 119.914 -0.021 0.000 2.548 178 V HA -0.152 3.968 4.120 -0.000 0.000 0.249 178 V C 2.629 178.710 176.094 -0.022 0.000 1.055 178 V CA 2.074 64.362 62.300 -0.020 0.000 1.065 178 V CB -0.630 31.185 31.823 -0.014 0.000 0.681 178 V HN 0.505 nan 8.190 nan 0.000 0.462 179 S N 0.290 115.978 115.700 -0.021 0.000 2.419 179 S HA -0.113 4.357 4.470 -0.000 0.000 0.233 179 S C 2.160 176.741 174.600 -0.033 0.000 1.016 179 S CA 1.331 59.519 58.200 -0.020 0.000 0.974 179 S CB -0.293 62.899 63.200 -0.014 0.000 0.786 179 S HN 0.655 nan 8.310 nan 0.000 0.492 180 A N 0.986 123.778 122.820 -0.046 0.000 1.930 180 A HA 0.032 4.352 4.320 -0.000 0.000 0.215 180 A C 2.058 179.589 177.584 -0.088 0.000 1.176 180 A CA 1.277 53.267 52.037 -0.079 0.000 0.632 180 A CB -0.517 18.434 19.000 -0.081 0.000 0.819 180 A HN 0.553 nan 8.150 nan 0.000 0.445 181 V N -1.923 117.954 119.914 -0.060 0.000 3.620 181 V HA 0.241 4.360 4.120 -0.000 0.000 0.286 181 V C 0.349 176.421 176.094 -0.038 0.000 1.288 181 V CA -0.297 61.971 62.300 -0.054 0.000 1.178 181 V CB -0.920 30.877 31.823 -0.043 0.000 0.986 181 V HN 0.072 nan 8.190 nan 0.000 0.431 182 V N 4.201 124.095 119.914 -0.033 0.000 2.446 182 V HA 0.160 4.280 4.120 -0.000 0.000 0.276 182 V C 0.301 176.389 176.094 -0.009 0.000 1.030 182 V CA -0.169 62.120 62.300 -0.017 0.000 1.033 182 V CB 0.411 32.227 31.823 -0.011 0.000 0.993 182 V HN 0.759 nan 8.190 nan 0.000 0.477 183 D N 4.123 124.520 120.400 -0.005 0.000 2.365 183 D HA 0.084 4.724 4.640 -0.000 0.000 0.237 183 D C -0.405 175.900 176.300 0.009 0.000 1.190 183 D CA -0.584 53.418 54.000 0.003 0.000 0.867 183 D CB 0.932 41.733 40.800 0.001 0.000 1.050 183 D HN 0.388 nan 8.370 nan 0.000 0.491 184 D N 2.863 123.273 120.400 0.017 0.000 2.371 184 D HA 0.111 4.751 4.640 -0.000 0.000 0.256 184 D C 0.213 176.522 176.300 0.014 0.000 1.193 184 D CA 0.293 54.304 54.000 0.018 0.000 0.881 184 D CB 1.087 41.904 40.800 0.028 0.000 1.143 184 D HN 0.465 nan 8.370 nan 0.000 0.473 185 E N 0.401 120.607 120.200 0.010 0.000 2.183 185 E HA 0.616 4.966 4.350 -0.000 0.000 0.271 185 E C 0.318 176.922 176.600 0.005 0.000 0.919 185 E CA -0.992 55.412 56.400 0.008 0.000 0.781 185 E CB 2.148 31.852 29.700 0.007 0.000 1.140 185 E HN 0.529 nan 8.360 nan 0.000 0.402 186 G N 2.655 111.457 108.800 0.004 0.000 5.580 186 G HA2 0.010 3.970 3.960 -0.000 0.000 0.197 186 G HA3 0.010 3.970 3.960 -0.000 0.000 0.197 186 G C -0.118 174.782 174.900 0.001 0.000 0.741 186 G CA -0.425 44.678 45.100 0.004 0.000 0.692 186 G HN 0.080 nan 8.290 nan 0.000 0.300 187 K N 0.244 120.643 120.400 -0.000 0.000 2.090 187 K HA 0.670 4.990 4.320 -0.000 0.000 0.249 187 K C -0.388 176.209 176.600 -0.005 0.000 0.995 187 K CA -0.627 55.659 56.287 -0.002 0.000 0.914 187 K CB 2.478 34.977 32.500 -0.002 0.000 1.057 187 K HN -0.026 nan 8.250 nan 0.000 0.462 188 V N 1.655 121.565 119.914 -0.006 0.000 2.384 188 V HA 0.068 4.188 4.120 -0.000 0.000 0.287 188 V C -0.503 175.584 176.094 -0.010 0.000 1.020 188 V CA -0.875 61.419 62.300 -0.010 0.000 0.850 188 V CB 1.459 33.277 31.823 -0.010 0.000 0.987 188 V HN 0.609 nan 8.190 nan 0.000 0.436 189 D N 3.637 124.030 120.400 -0.013 0.000 2.347 189 D HA 0.289 4.929 4.640 -0.000 0.000 0.235 189 D C 0.907 177.197 176.300 -0.016 0.000 1.149 189 D CA -0.339 53.653 54.000 -0.013 0.000 0.850 189 D CB 1.631 42.422 40.800 -0.015 0.000 1.061 189 D HN 0.350 nan 8.370 nan 0.000 0.487 190 K N 1.645 122.037 120.400 -0.014 0.000 2.280 190 K HA -0.056 4.264 4.320 -0.000 0.000 0.202 190 K C 0.831 177.420 176.600 -0.018 0.000 1.047 190 K CA 0.871 57.149 56.287 -0.015 0.000 0.942 190 K CB 0.217 32.710 32.500 -0.011 0.000 0.739 190 K HN 0.395 nan 8.250 nan 0.000 0.457 191 D N 0.010 120.399 120.400 -0.018 0.000 2.363 191 D HA -0.026 4.613 4.640 -0.000 0.000 0.220 191 D C 1.304 177.588 176.300 -0.028 0.000 0.994 191 D CA 0.576 54.563 54.000 -0.022 0.000 0.890 191 D CB 0.154 40.943 40.800 -0.019 0.000 0.906 191 D HN 0.165 nan 8.370 nan 0.000 0.530 192 L N 0.068 121.274 121.223 -0.028 0.000 2.341 192 L HA 0.132 4.472 4.340 -0.000 0.000 0.214 192 L C 0.764 177.610 176.870 -0.039 0.000 1.115 192 L CA 0.307 55.126 54.840 -0.034 0.000 0.820 192 L CB 0.294 42.333 42.059 -0.033 0.000 0.944 192 L HN -0.123 nan 8.230 nan 0.000 0.452 193 I N 1.116 121.665 120.570 -0.035 0.000 2.282 193 I HA 0.057 4.227 4.170 -0.000 0.000 0.290 193 I C 0.429 176.523 176.117 -0.037 0.000 1.090 193 I CA -0.073 61.205 61.300 -0.036 0.000 1.231 193 I CB 0.542 38.524 38.000 -0.029 0.000 1.434 193 I HN -0.002 nan 8.210 nan 0.000 0.487 194 K N 7.212 127.584 120.400 -0.046 0.000 2.383 194 K HA 0.378 4.698 4.320 -0.000 0.000 0.286 194 K C -0.634 175.937 176.600 -0.049 0.000 1.051 194 K CA -0.224 56.033 56.287 -0.051 0.000 0.974 194 K CB 0.639 33.099 32.500 -0.066 0.000 0.968 194 K HN 0.538 nan 8.250 nan 0.000 0.475 195 I N 4.002 124.548 120.570 -0.042 0.000 2.330 195 I HA 0.143 4.313 4.170 -0.000 0.000 0.289 195 I C -0.370 175.722 176.117 -0.042 0.000 1.001 195 I CA -0.588 60.690 61.300 -0.037 0.000 1.193 195 I CB 1.597 39.581 38.000 -0.026 0.000 1.345 195 I HN 0.627 nan 8.210 nan 0.000 0.461 196 E N 6.472 126.644 120.200 -0.047 0.000 2.183 196 E HA 0.417 4.767 4.350 -0.000 0.000 0.271 196 E C -1.218 175.361 176.600 -0.035 0.000 0.919 196 E CA -0.699 55.670 56.400 -0.051 0.000 0.781 196 E CB 1.317 30.969 29.700 -0.080 0.000 1.140 196 E HN 0.281 nan 8.360 nan 0.000 0.402 197 K N 3.928 124.310 120.400 -0.030 0.000 2.464 197 K HA 0.414 4.734 4.320 -0.000 0.000 0.252 197 K C -0.740 175.850 176.600 -0.016 0.000 1.000 197 K CA -0.899 55.375 56.287 -0.021 0.000 0.951 197 K CB 1.119 33.605 32.500 -0.024 0.000 1.183 197 K HN 0.192 nan 8.250 nan 0.000 0.445 198 K N 1.071 121.469 120.400 -0.004 0.000 2.385 198 K HA 0.309 4.629 4.320 -0.000 0.000 0.248 198 K C 0.550 177.157 176.600 0.010 0.000 0.955 198 K CA -0.507 55.784 56.287 0.007 0.000 0.816 198 K CB 1.969 34.485 32.500 0.028 0.000 1.250 198 K HN 0.649 nan 8.250 nan 0.000 0.434 199 S N 0.134 115.840 115.700 0.011 0.000 2.136 199 S HA 0.543 5.012 4.470 -0.000 0.000 0.205 199 S C 0.714 175.324 174.600 0.017 0.000 1.346 199 S CA 0.497 58.703 58.200 0.009 0.000 1.084 199 S CB -0.405 62.798 63.200 0.006 0.000 0.767 199 S HN 1.038 nan 8.310 nan 0.000 0.423 200 G N -0.779 108.031 108.800 0.016 0.000 2.603 200 G HA2 0.435 4.394 3.960 -0.000 0.000 0.686 200 G HA3 0.435 4.394 3.960 -0.000 0.000 0.686 200 G C -0.299 174.609 174.900 0.013 0.000 1.286 200 G CA -0.314 44.796 45.100 0.016 0.000 0.871 200 G HN 1.734 nan 8.290 nan 0.000 0.568 201 A N 0.391 123.218 122.820 0.012 0.000 2.798 201 A HA 0.836 5.156 4.320 -0.000 0.000 0.316 201 A C 0.776 178.367 177.584 0.011 0.000 1.506 201 A CA 1.232 53.275 52.037 0.010 0.000 1.162 201 A CB 0.386 19.391 19.000 0.008 0.000 1.138 201 A HN 2.099 nan 8.150 nan 0.000 0.532 202 S N 1.435 117.142 115.700 0.012 0.000 4.107 202 S HA 0.543 5.013 4.470 -0.000 0.000 0.196 202 S C 1.147 175.754 174.600 0.011 0.000 1.125 202 S CA 0.549 58.756 58.200 0.012 0.000 1.614 202 S CB -0.322 62.887 63.200 0.015 0.000 1.234 202 S HN 1.026 nan 8.310 nan 0.000 0.799 203 I N 1.023 121.600 120.570 0.012 0.000 3.969 203 I HA -0.339 3.831 4.170 -0.000 0.000 0.133 203 I C 0.076 176.199 176.117 0.009 0.000 0.412 203 I CA 1.894 63.201 61.300 0.010 0.000 1.227 203 I CB -0.790 37.216 38.000 0.010 0.000 1.082 203 I HN 0.497 nan 8.210 nan 0.000 0.204 204 D N 0.168 120.573 120.400 0.008 0.000 2.389 204 D HA 0.044 4.683 4.640 -0.000 0.000 0.206 204 D C 0.898 177.203 176.300 0.009 0.000 1.055 204 D CA 0.508 54.512 54.000 0.007 0.000 0.856 204 D CB 0.014 40.817 40.800 0.005 0.000 0.957 204 D HN 0.402 nan 8.370 nan 0.000 0.509 205 D N 0.354 120.762 120.400 0.012 0.000 2.342 205 D HA -0.000 4.640 4.640 -0.000 0.000 0.221 205 D C 0.247 176.560 176.300 0.022 0.000 1.101 205 D CA 0.209 54.219 54.000 0.017 0.000 0.837 205 D CB -0.003 40.809 40.800 0.019 0.000 0.938 205 D HN 0.087 nan 8.370 nan 0.000 0.508 206 T N -0.334 114.231 114.554 0.017 0.000 2.799 206 T HA 0.337 4.687 4.350 -0.000 0.000 0.296 206 T C 0.208 174.919 174.700 0.018 0.000 0.947 206 T CA -0.648 61.462 62.100 0.017 0.000 1.141 206 T CB 0.947 69.822 68.868 0.010 0.000 0.891 206 T HN 0.183 nan 8.240 nan 0.000 0.533 207 E N 2.503 122.717 120.200 0.023 0.000 2.336 207 E HA 0.601 4.951 4.350 -0.000 0.000 0.267 207 E C -1.178 175.432 176.600 0.018 0.000 0.906 207 E CA -1.431 54.984 56.400 0.025 0.000 0.781 207 E CB 1.461 31.186 29.700 0.040 0.000 1.261 207 E HN 0.474 nan 8.360 nan 0.000 0.436 208 L N 2.287 123.518 121.223 0.014 0.000 2.265 208 L HA 0.417 4.757 4.340 -0.000 0.000 0.288 208 L C -1.165 175.712 176.870 0.012 0.000 1.058 208 L CA -0.226 54.617 54.840 0.005 0.000 0.809 208 L CB 0.512 42.571 42.059 -0.000 0.000 1.179 208 L HN 0.586 nan 8.230 nan 0.000 0.429 209 I N 5.586 126.159 120.570 0.004 0.000 2.312 209 I HA 0.245 4.415 4.170 -0.000 0.000 0.290 209 I C 0.301 176.414 176.117 -0.007 0.000 1.008 209 I CA -0.433 60.874 61.300 0.011 0.000 1.226 209 I CB 0.803 38.804 38.000 0.001 0.000 1.371 209 I HN 0.538 nan 8.210 nan 0.000 0.468 210 K N 5.993 126.394 120.400 0.003 0.000 2.278 210 K HA 0.418 4.738 4.320 -0.000 0.000 0.237 210 K C 0.341 176.936 176.600 -0.009 0.000 1.229 210 K CA -0.260 56.021 56.287 -0.010 0.000 1.155 210 K CB 0.240 32.738 32.500 -0.004 0.000 1.590 210 K HN 0.914 nan 8.250 nan 0.000 0.290 211 G N -0.478 108.305 108.800 -0.027 0.000 2.435 211 G HA2 0.271 4.231 3.960 -0.000 0.000 0.228 211 G HA3 0.271 4.231 3.960 -0.000 0.000 0.228 211 G C -1.587 173.270 174.900 -0.072 0.000 1.198 211 G CA -0.599 44.479 45.100 -0.036 0.000 0.948 211 G HN 0.091 nan 8.290 nan 0.000 0.487 212 V N 0.031 119.886 119.914 -0.098 0.000 2.962 212 V HA 0.723 4.843 4.120 -0.000 0.000 0.313 212 V C -1.135 174.849 176.094 -0.183 0.000 1.099 212 V CA -0.687 61.528 62.300 -0.142 0.000 0.971 212 V CB 1.992 33.712 31.823 -0.172 0.000 1.028 212 V HN 0.720 nan 8.190 nan 0.000 0.430 213 L N 3.514 124.604 121.223 -0.221 0.000 2.294 213 L HA 0.619 4.959 4.340 -0.000 0.000 0.283 213 L C -0.556 176.195 176.870 -0.199 0.000 1.015 213 L CA -0.012 54.646 54.840 -0.302 0.000 0.831 213 L CB 1.562 43.382 42.059 -0.398 0.000 1.217 213 L HN 0.491 nan 8.230 nan 0.000 0.420 214 V N 3.641 123.472 119.914 -0.138 0.000 2.383 214 V HA 0.197 4.317 4.120 -0.000 0.000 0.275 214 V C 0.283 176.372 176.094 -0.007 0.000 1.036 214 V CA -0.614 61.647 62.300 -0.065 0.000 0.889 214 V CB 1.351 33.166 31.823 -0.013 0.000 0.985 214 V HN 0.607 nan 8.190 nan 0.000 0.459 215 D N 4.435 124.827 120.400 -0.013 0.000 2.941 215 D HA 0.107 4.747 4.640 -0.000 0.000 0.236 215 D C 0.274 176.598 176.300 0.040 0.000 1.147 215 D CA 0.591 54.596 54.000 0.008 0.000 0.975 215 D CB -0.141 40.655 40.800 -0.006 0.000 1.162 215 D HN 0.421 nan 8.370 nan 0.000 0.444 216 K N 0.207 120.651 120.400 0.074 0.000 2.466 216 K HA 0.404 4.724 4.320 -0.000 0.000 0.260 216 K C -0.384 176.267 176.600 0.086 0.000 1.011 216 K CA -0.662 55.675 56.287 0.084 0.000 0.871 216 K CB 2.075 34.644 32.500 0.116 0.000 1.404 216 K HN 0.076 nan 8.250 nan 0.000 0.450 217 E N 0.951 121.187 120.200 0.061 0.000 2.303 217 E HA 0.293 4.643 4.350 -0.000 0.000 0.254 217 E C -0.593 176.020 176.600 0.021 0.000 0.979 217 E CA -1.070 55.359 56.400 0.048 0.000 0.843 217 E CB 1.260 30.982 29.700 0.035 0.000 1.245 217 E HN 0.403 nan 8.360 nan 0.000 0.413 218 R N 0.846 121.349 120.500 0.004 0.000 2.489 218 R HA 0.039 4.379 4.340 -0.000 0.000 0.287 218 R C 0.685 176.972 176.300 -0.021 0.000 1.053 218 R CA -0.120 55.963 56.100 -0.029 0.000 1.036 218 R CB 0.533 30.816 30.300 -0.029 0.000 0.966 218 R HN 0.440 nan 8.270 nan 0.000 0.432 219 V N 2.229 122.123 119.914 -0.032 0.000 2.490 219 V HA -0.130 3.990 4.120 -0.000 0.000 0.250 219 V C 0.687 176.773 176.094 -0.013 0.000 1.061 219 V CA 2.225 64.514 62.300 -0.018 0.000 1.064 219 V CB 0.023 31.833 31.823 -0.021 0.000 0.670 219 V HN 0.891 nan 8.190 nan 0.000 0.461 220 S N -1.731 113.957 115.700 -0.019 0.000 2.500 220 S HA 0.667 5.137 4.470 -0.000 0.000 0.301 220 S C 0.771 175.362 174.600 -0.014 0.000 1.092 220 S CA -0.173 58.019 58.200 -0.013 0.000 1.030 220 S CB 1.742 64.934 63.200 -0.013 0.000 1.031 220 S HN 0.563 nan 8.310 nan 0.000 0.483 221 A N 3.391 126.207 122.820 -0.007 0.000 2.121 221 A HA -0.034 4.285 4.320 -0.000 0.000 0.218 221 A C 1.838 179.416 177.584 -0.009 0.000 1.154 221 A CA 1.208 53.241 52.037 -0.007 0.000 0.679 221 A CB -0.485 18.513 19.000 -0.003 0.000 0.795 221 A HN 0.885 nan 8.150 nan 0.000 0.458 222 Q N -0.966 118.828 119.800 -0.011 0.000 2.435 222 Q HA 0.095 4.435 4.340 -0.000 0.000 0.207 222 Q C 0.239 176.225 176.000 -0.024 0.000 0.956 222 Q CA 0.032 55.826 55.803 -0.014 0.000 0.917 222 Q CB -0.096 28.634 28.738 -0.013 0.000 0.997 222 Q HN 0.705 nan 8.270 nan 0.000 0.497 223 M N 1.649 121.233 119.600 -0.027 0.000 2.242 223 M HA 0.233 4.713 4.480 -0.000 0.000 0.344 223 M C -2.074 174.210 176.300 -0.026 0.000 1.140 223 M CA -1.928 53.353 55.300 -0.032 0.000 1.160 223 M CB 0.562 33.137 32.600 -0.041 0.000 1.491 223 M HN -0.107 nan 8.290 nan 0.000 0.459 224 P HA 0.017 nan 4.420 nan 0.000 0.270 224 P C -0.447 176.843 177.300 -0.016 0.000 1.227 224 P CA -0.004 63.084 63.100 -0.019 0.000 0.788 224 P CB 0.510 32.200 31.700 -0.017 0.000 0.926 225 K N 0.483 120.877 120.400 -0.010 0.000 2.438 225 K HA 0.170 4.490 4.320 -0.000 0.000 0.206 225 K C -0.125 176.475 176.600 0.000 0.000 1.081 225 K CA 0.071 56.356 56.287 -0.004 0.000 1.053 225 K CB 0.433 32.930 32.500 -0.006 0.000 0.908 225 K HN 0.229 nan 8.250 nan 0.000 0.556 226 K N 1.186 121.586 120.400 -0.001 0.000 2.616 226 K HA 0.225 4.545 4.320 -0.000 0.000 0.255 226 K C -1.902 174.701 176.600 0.006 0.000 0.995 226 K CA -0.594 55.695 56.287 0.003 0.000 0.860 226 K CB 2.046 34.541 32.500 -0.007 0.000 1.264 226 K HN -0.116 nan 8.250 nan 0.000 0.451 227 V N 2.910 122.833 119.914 0.016 0.000 2.487 227 V HA 0.442 4.562 4.120 -0.000 0.000 0.298 227 V C -0.074 176.034 176.094 0.024 0.000 1.028 227 V CA -0.788 61.521 62.300 0.016 0.000 0.860 227 V CB 1.615 33.449 31.823 0.018 0.000 0.991 227 V HN 0.892 nan 8.190 nan 0.000 0.427 228 T N 0.113 114.678 114.554 0.018 0.000 2.867 228 T HA 0.448 4.798 4.350 -0.000 0.000 0.282 228 T C -0.115 174.598 174.700 0.022 0.000 1.000 228 T CA -0.534 61.578 62.100 0.020 0.000 1.042 228 T CB 1.173 70.049 68.868 0.014 0.000 0.973 228 T HN 0.711 nan 8.240 nan 0.000 0.465 229 D N 0.403 120.819 120.400 0.026 0.000 2.704 229 D HA -0.147 4.492 4.640 -0.000 0.000 0.232 229 D C 0.312 176.629 176.300 0.029 0.000 1.183 229 D CA 0.953 54.969 54.000 0.027 0.000 0.647 229 D CB -1.217 39.595 40.800 0.020 0.000 1.013 229 D HN 1.043 nan 8.370 nan 0.000 0.415 230 A N 0.785 123.627 122.820 0.037 0.000 2.354 230 A HA 0.425 4.745 4.320 -0.000 0.000 0.269 230 A C 0.461 178.072 177.584 0.044 0.000 1.109 230 A CA -0.341 51.719 52.037 0.038 0.000 0.800 230 A CB 0.779 19.808 19.000 0.048 0.000 1.045 230 A HN 0.074 nan 8.150 nan 0.000 0.489 231 K N 2.023 122.445 120.400 0.037 0.000 2.253 231 K HA 0.535 4.855 4.320 -0.000 0.000 0.277 231 K C -0.935 175.696 176.600 0.052 0.000 1.053 231 K CA 0.330 56.641 56.287 0.041 0.000 0.892 231 K CB 1.060 33.577 32.500 0.029 0.000 1.102 231 K HN 0.552 nan 8.250 nan 0.000 0.469 232 I N 2.412 123.026 120.570 0.074 0.000 2.336 232 I HA 0.417 4.587 4.170 -0.000 0.000 0.292 232 I C -0.118 176.059 176.117 0.100 0.000 0.991 232 I CA -0.938 60.429 61.300 0.112 0.000 1.227 232 I CB 1.708 39.810 38.000 0.169 0.000 1.366 232 I HN 0.588 nan 8.210 nan 0.000 0.466 233 A N 7.304 130.182 122.820 0.097 0.000 2.317 233 A HA 0.814 5.134 4.320 -0.000 0.000 0.327 233 A C -0.979 176.674 177.584 0.115 0.000 1.178 233 A CA -0.451 51.634 52.037 0.080 0.000 0.817 233 A CB 0.884 19.914 19.000 0.049 0.000 1.189 233 A HN 0.561 nan 8.150 nan 0.000 0.489 234 L N 2.471 123.752 121.223 0.096 0.000 2.325 234 L HA 0.523 4.863 4.340 -0.000 0.000 0.281 234 L C -0.550 176.364 176.870 0.073 0.000 1.004 234 L CA 0.228 55.132 54.840 0.107 0.000 0.823 234 L CB 1.428 43.534 42.059 0.079 0.000 1.236 234 L HN 0.633 nan 8.230 nan 0.000 0.415 235 L N 3.143 124.413 121.223 0.078 0.000 2.325 235 L HA 0.454 4.794 4.340 -0.000 0.000 0.281 235 L C 0.690 177.590 176.870 0.050 0.000 1.004 235 L CA -0.448 54.425 54.840 0.054 0.000 0.823 235 L CB 1.771 43.858 42.059 0.047 0.000 1.236 235 L HN 0.546 nan 8.230 nan 0.000 0.415 236 N N 0.883 119.606 118.700 0.037 0.000 2.373 236 N HA -0.013 4.726 4.740 -0.000 0.000 0.181 236 N C 0.204 175.730 175.510 0.028 0.000 1.082 236 N CA 0.030 53.098 53.050 0.031 0.000 0.885 236 N CB 0.288 38.789 38.487 0.023 0.000 0.977 236 N HN 0.546 nan 8.380 nan 0.000 0.462 237 C N 0.907 120.224 119.300 0.028 0.000 2.534 237 C HA 0.743 5.202 4.460 -0.000 0.000 0.385 237 C C 0.464 175.471 174.990 0.027 0.000 1.264 237 C CA -0.820 58.213 59.018 0.025 0.000 2.342 237 C CB -0.490 27.264 27.740 0.023 0.000 2.564 237 C HN 0.462 nan 8.230 nan 0.000 0.603 238 A N 5.372 128.207 122.820 0.025 0.000 2.320 238 A HA 0.536 4.856 4.320 -0.000 0.000 0.287 238 A C 0.217 177.817 177.584 0.028 0.000 1.181 238 A CA -0.395 51.658 52.037 0.026 0.000 0.831 238 A CB 0.026 19.040 19.000 0.024 0.000 1.102 238 A HN 0.851 nan 8.150 nan 0.000 0.513 239 I N 2.834 123.423 120.570 0.030 0.000 2.528 239 I HA 0.069 4.239 4.170 -0.000 0.000 0.276 239 I C 0.374 176.514 176.117 0.039 0.000 1.056 239 I CA 0.535 61.855 61.300 0.035 0.000 1.858 239 I CB -0.963 37.059 38.000 0.037 0.000 1.448 239 I HN 0.723 nan 8.210 nan 0.000 0.776 240 E N 1.447 121.668 120.200 0.035 0.000 2.449 240 E HA 0.529 4.878 4.350 -0.000 0.000 0.254 240 E C -0.428 176.194 176.600 0.036 0.000 0.907 240 E CA -1.129 55.293 56.400 0.037 0.000 0.840 240 E CB 1.857 31.575 29.700 0.030 0.000 1.459 240 E HN 0.040 nan 8.360 nan 0.000 0.407 241 I N 1.519 122.110 120.570 0.036 0.000 2.588 241 I HA 0.060 4.230 4.170 -0.000 0.000 0.283 241 I C 0.146 176.280 176.117 0.029 0.000 1.119 241 I CA 0.174 61.496 61.300 0.036 0.000 1.419 241 I CB -0.021 38.002 38.000 0.038 0.000 1.394 241 I HN 0.320 nan 8.210 nan 0.000 0.562 242 K N 6.190 126.607 120.400 0.028 0.000 2.219 242 K HA 0.242 4.562 4.320 -0.000 0.000 0.280 242 K C -0.160 176.453 176.600 0.022 0.000 1.104 242 K CA -0.253 56.048 56.287 0.023 0.000 0.925 242 K CB 0.440 32.953 32.500 0.021 0.000 1.261 242 K HN 0.495 nan 8.250 nan 0.000 0.445 243 E N 1.894 122.105 120.200 0.018 0.000 2.338 243 E HA 0.017 4.367 4.350 -0.000 0.000 0.272 243 E C 0.096 176.704 176.600 0.013 0.000 1.029 243 E CA -0.306 56.103 56.400 0.015 0.000 0.872 243 E CB 0.796 30.503 29.700 0.010 0.000 1.015 243 E HN 0.460 nan 8.360 nan 0.000 0.417 244 T N 0.656 115.218 114.554 0.013 0.000 2.926 244 T HA 0.038 4.388 4.350 -0.000 0.000 0.307 244 T C 1.016 175.721 174.700 0.008 0.000 1.059 244 T CA -0.731 61.376 62.100 0.012 0.000 1.122 244 T CB 1.144 70.020 68.868 0.013 0.000 0.972 244 T HN 0.366 nan 8.240 nan 0.000 0.545 245 E N 1.497 121.702 120.200 0.008 0.000 2.047 245 E HA -0.048 4.302 4.350 -0.000 0.000 0.191 245 E C 1.169 177.772 176.600 0.005 0.000 0.987 245 E CA 1.260 57.663 56.400 0.006 0.000 0.799 245 E CB -0.647 29.057 29.700 0.007 0.000 0.752 245 E HN 0.919 nan 8.360 nan 0.000 0.449 246 T N 1.984 116.541 114.554 0.005 0.000 2.784 246 T HA 0.056 4.406 4.350 -0.000 0.000 0.291 246 T C 0.091 174.793 174.700 0.003 0.000 0.942 246 T CA -0.598 61.504 62.100 0.004 0.000 1.161 246 T CB 0.432 69.303 68.868 0.005 0.000 0.885 246 T HN -0.170 nan 8.240 nan 0.000 0.534 247 D N 2.699 123.099 120.400 0.001 0.000 2.583 247 D HA 0.323 4.962 4.640 -0.000 0.000 0.232 247 D C 0.157 176.456 176.300 -0.003 0.000 1.128 247 D CA 0.603 54.602 54.000 -0.002 0.000 0.859 247 D CB 0.409 41.207 40.800 -0.003 0.000 1.169 247 D HN 0.900 nan 8.370 nan 0.000 0.481 248 A N 2.733 125.550 122.820 -0.005 0.000 2.435 248 A HA 0.611 4.931 4.320 -0.000 0.000 0.304 248 A C -0.415 177.156 177.584 -0.021 0.000 1.064 248 A CA -0.650 51.382 52.037 -0.008 0.000 0.727 248 A CB 2.036 21.035 19.000 -0.000 0.000 1.284 248 A HN 0.515 nan 8.150 nan 0.000 0.415 249 E N 1.084 121.267 120.200 -0.029 0.000 2.331 249 E HA 0.585 4.935 4.350 -0.000 0.000 0.275 249 E C -1.466 175.087 176.600 -0.078 0.000 0.895 249 E CA -0.488 55.880 56.400 -0.053 0.000 0.753 249 E CB 1.809 31.483 29.700 -0.044 0.000 1.216 249 E HN 0.634 nan 8.360 nan 0.000 0.434 250 I N 2.933 123.418 120.570 -0.143 0.000 2.488 250 I HA 0.433 4.602 4.170 -0.000 0.000 0.299 250 I C -0.095 175.903 176.117 -0.199 0.000 0.984 250 I CA -0.820 60.340 61.300 -0.234 0.000 1.250 250 I CB 1.026 38.713 38.000 -0.522 0.000 1.389 250 I HN 0.221 nan 8.210 nan 0.000 0.488 251 R N 5.830 126.241 120.500 -0.149 0.000 2.409 251 R HA 0.543 4.883 4.340 -0.000 0.000 0.313 251 R C -1.270 175.004 176.300 -0.044 0.000 0.953 251 R CA -0.869 55.182 56.100 -0.082 0.000 0.849 251 R CB 1.660 31.942 30.300 -0.030 0.000 1.171 251 R HN 0.447 nan 8.270 nan 0.000 0.458 252 I N 1.744 122.289 120.570 -0.043 0.000 2.354 252 I HA 0.215 4.385 4.170 -0.000 0.000 0.292 252 I C 1.418 177.554 176.117 0.032 0.000 0.989 252 I CA 0.068 61.388 61.300 0.032 0.000 1.188 252 I CB 1.971 39.989 38.000 0.030 0.000 1.342 252 I HN 0.652 nan 8.210 nan 0.000 0.457 253 T N -0.675 113.910 114.554 0.052 0.000 2.955 253 T HA 0.205 4.555 4.350 -0.000 0.000 0.251 253 T C 0.296 175.018 174.700 0.037 0.000 1.002 253 T CA -0.131 61.990 62.100 0.035 0.000 0.970 253 T CB -0.007 68.879 68.868 0.031 0.000 1.091 253 T HN 0.396 nan 8.240 nan 0.000 0.495 254 D N 2.929 123.360 120.400 0.051 0.000 2.233 254 D HA 0.377 5.017 4.640 -0.000 0.000 0.240 254 D C -1.389 174.940 176.300 0.049 0.000 1.074 254 D CA -2.573 51.453 54.000 0.043 0.000 0.838 254 D CB 2.162 42.987 40.800 0.040 0.000 1.124 254 D HN -0.093 nan 8.370 nan 0.000 0.475 255 P HA -0.151 nan 4.420 nan 0.000 0.219 255 P C 0.756 178.080 177.300 0.039 0.000 1.146 255 P CA 0.688 63.808 63.100 0.035 0.000 0.808 255 P CB 0.222 31.936 31.700 0.023 0.000 0.779 256 A N -0.102 122.738 122.820 0.033 0.000 2.167 256 A HA -0.028 4.292 4.320 -0.000 0.000 0.214 256 A C 2.089 179.693 177.584 0.033 0.000 1.151 256 A CA 0.810 52.862 52.037 0.026 0.000 0.735 256 A CB -0.638 18.370 19.000 0.013 0.000 0.802 256 A HN 0.017 nan 8.150 nan 0.000 0.467 257 K N -0.207 120.230 120.400 0.061 0.000 2.459 257 K HA 0.176 4.496 4.320 -0.000 0.000 0.193 257 K C 1.461 178.176 176.600 0.193 0.000 1.030 257 K CA 0.148 56.492 56.287 0.094 0.000 1.026 257 K CB -0.185 32.410 32.500 0.158 0.000 0.809 257 K HN 0.521 nan 8.250 nan 0.000 0.504 258 L N 0.322 121.632 121.223 0.146 0.000 1.976 258 L HA -0.163 4.177 4.340 -0.000 0.000 0.209 258 L C 2.348 179.303 176.870 0.141 0.000 1.071 258 L CA 1.134 56.065 54.840 0.152 0.000 0.746 258 L CB -0.395 41.714 42.059 0.082 0.000 0.890 258 L HN 0.127 nan 8.230 nan 0.000 0.432 259 M N -0.709 118.938 119.600 0.080 0.000 2.358 259 M HA -0.170 4.310 4.480 -0.000 0.000 0.264 259 M C 2.054 178.377 176.300 0.039 0.000 1.064 259 M CA 1.379 56.712 55.300 0.055 0.000 1.093 259 M CB -0.992 31.626 32.600 0.030 0.000 1.401 259 M HN 0.308 nan 8.290 nan 0.000 0.440 260 E N -0.246 119.960 120.200 0.010 0.000 2.031 260 E HA -0.179 4.171 4.350 -0.000 0.000 0.193 260 E C 1.937 178.462 176.600 -0.125 0.000 0.994 260 E CA 1.400 57.732 56.400 -0.113 0.000 0.800 260 E CB -0.174 29.369 29.700 -0.262 0.000 0.752 260 E HN 0.430 nan 8.360 nan 0.000 0.447 261 F N 0.681 120.635 119.950 0.007 0.000 2.163 261 F HA -0.104 4.423 4.527 -0.000 0.000 0.297 261 F C 2.288 178.095 175.800 0.012 0.000 1.094 261 F CA 0.684 58.689 58.000 0.008 0.000 1.290 261 F CB -0.190 38.815 39.000 0.007 0.000 1.017 261 F HN -0.023 nan 8.300 nan 0.000 0.483 262 I N 0.026 120.721 120.570 0.207 0.000 2.163 262 I HA -0.283 3.887 4.170 -0.000 0.000 0.243 262 I C 2.117 178.285 176.117 0.085 0.000 1.085 262 I CA 1.615 62.987 61.300 0.121 0.000 1.347 262 I CB -0.554 37.500 38.000 0.089 0.000 1.044 262 I HN 0.153 nan 8.210 nan 0.000 0.408 263 E N 0.134 120.369 120.200 0.059 0.000 2.204 263 E HA -0.266 4.083 4.350 -0.000 0.000 0.194 263 E C 2.080 178.695 176.600 0.025 0.000 0.989 263 E CA 0.822 57.245 56.400 0.037 0.000 0.824 263 E CB -0.007 29.703 29.700 0.016 0.000 0.756 263 E HN 0.388 nan 8.360 nan 0.000 0.477 264 Q N 1.210 121.019 119.800 0.016 0.000 2.123 264 Q HA -0.145 4.195 4.340 -0.000 0.000 0.199 264 Q C 1.745 177.769 176.000 0.040 0.000 0.966 264 Q CA 1.430 57.236 55.803 0.004 0.000 0.845 264 Q CB 0.092 28.808 28.738 -0.037 0.000 0.907 264 Q HN 0.205 nan 8.270 nan 0.000 0.439 265 E N 0.027 120.272 120.200 0.076 0.000 2.072 265 E HA -0.202 4.148 4.350 -0.000 0.000 0.191 265 E C 1.520 178.162 176.600 0.071 0.000 0.985 265 E CA 1.268 57.716 56.400 0.080 0.000 0.801 265 E CB 0.006 29.764 29.700 0.096 0.000 0.750 265 E HN 0.684 nan 8.360 nan 0.000 0.452 266 E N 0.372 120.620 120.200 0.080 0.000 2.482 266 E HA -0.148 4.202 4.350 -0.000 0.000 0.196 266 E C 1.826 178.467 176.600 0.068 0.000 1.047 266 E CA 0.492 56.959 56.400 0.111 0.000 0.869 266 E CB 0.015 29.802 29.700 0.144 0.000 0.836 266 E HN 0.019 nan 8.360 nan 0.000 0.520 267 K N 0.668 121.082 120.400 0.024 0.000 2.305 267 K HA 0.048 4.368 4.320 -0.000 0.000 0.199 267 K C 1.850 178.431 176.600 -0.033 0.000 1.047 267 K CA 0.429 56.700 56.287 -0.027 0.000 0.976 267 K CB 0.090 32.577 32.500 -0.023 0.000 0.765 267 K HN 0.180 nan 8.250 nan 0.000 0.474 268 M N 0.245 119.846 119.600 0.001 0.000 2.349 268 M HA -0.065 4.415 4.480 -0.000 0.000 0.266 268 M C 1.379 177.682 176.300 0.005 0.000 1.076 268 M CA 0.602 55.904 55.300 0.004 0.000 1.126 268 M CB 0.135 32.749 32.600 0.023 0.000 1.392 268 M HN 0.073 nan 8.290 nan 0.000 0.440 269 L N 0.339 121.577 121.223 0.025 0.000 2.209 269 L HA -0.027 4.313 4.340 -0.000 0.000 0.207 269 L C 2.147 178.994 176.870 -0.038 0.000 1.094 269 L CA 1.668 56.542 54.840 0.056 0.000 0.790 269 L CB -0.655 41.502 42.059 0.162 0.000 0.932 269 L HN 0.157 nan 8.230 nan 0.000 0.447 270 K N -0.457 119.817 120.400 -0.210 0.000 2.097 270 K HA -0.146 4.174 4.320 -0.000 0.000 0.205 270 K C 1.583 178.052 176.600 -0.219 0.000 1.050 270 K CA 1.263 57.278 56.287 -0.455 0.000 0.938 270 K CB -0.071 32.112 32.500 -0.528 0.000 0.718 270 K HN 0.262 nan 8.250 nan 0.000 0.442 271 D N 0.739 121.065 120.400 -0.123 0.000 2.117 271 D HA -0.124 4.516 4.640 -0.000 0.000 0.198 271 D C 1.874 178.145 176.300 -0.049 0.000 0.982 271 D CA 1.258 55.214 54.000 -0.074 0.000 0.828 271 D CB -0.054 40.718 40.800 -0.046 0.000 0.967 271 D HN 0.180 nan 8.370 nan 0.000 0.464 272 M N 0.133 119.714 119.600 -0.031 0.000 2.117 272 M HA -0.120 4.360 4.480 -0.000 0.000 0.262 272 M C 2.291 178.588 176.300 -0.005 0.000 1.065 272 M CA 0.864 56.159 55.300 -0.007 0.000 1.114 272 M CB -0.084 32.524 32.600 0.013 0.000 1.361 272 M HN -0.119 nan 8.290 nan 0.000 0.408 273 V N 0.274 120.184 119.914 -0.008 0.000 2.515 273 V HA -0.195 3.925 4.120 -0.000 0.000 0.250 273 V C 2.529 178.611 176.094 -0.019 0.000 1.058 273 V CA 1.829 64.131 62.300 0.003 0.000 1.064 273 V CB -1.124 30.724 31.823 0.042 0.000 0.675 273 V HN 0.509 nan 8.190 nan 0.000 0.461 274 A N -0.545 122.247 122.820 -0.047 0.000 2.066 274 A HA -0.146 4.174 4.320 -0.000 0.000 0.218 274 A C 2.130 179.698 177.584 -0.026 0.000 1.157 274 A CA 1.300 53.311 52.037 -0.044 0.000 0.670 274 A CB -0.310 18.652 19.000 -0.064 0.000 0.804 274 A HN 0.612 nan 8.150 nan 0.000 0.453 275 E N -0.482 119.706 120.200 -0.020 0.000 2.216 275 E HA 0.008 4.358 4.350 -0.000 0.000 0.192 275 E C 1.590 178.187 176.600 -0.004 0.000 0.988 275 E CA 0.630 57.023 56.400 -0.011 0.000 0.834 275 E CB -0.096 29.599 29.700 -0.008 0.000 0.772 275 E HN 0.701 nan 8.360 nan 0.000 0.479 276 I N 0.987 121.555 120.570 -0.002 0.000 2.406 276 I HA -0.177 3.993 4.170 -0.000 0.000 0.249 276 I C 2.444 178.561 176.117 0.000 0.000 1.122 276 I CA 0.783 62.085 61.300 0.002 0.000 1.431 276 I CB -0.044 37.959 38.000 0.005 0.000 1.087 276 I HN -0.054 nan 8.210 nan 0.000 0.424 277 K N 1.507 121.904 120.400 -0.004 0.000 2.283 277 K HA -0.099 4.221 4.320 -0.000 0.000 0.202 277 K C 2.058 178.655 176.600 -0.005 0.000 1.048 277 K CA 1.070 57.354 56.287 -0.006 0.000 0.948 277 K CB 0.044 32.538 32.500 -0.009 0.000 0.742 277 K HN 0.294 nan 8.250 nan 0.000 0.458 278 A N 0.739 123.555 122.820 -0.006 0.000 2.014 278 A HA -0.107 4.212 4.320 -0.000 0.000 0.218 278 A C 1.981 179.565 177.584 -0.001 0.000 1.163 278 A CA 1.740 53.775 52.037 -0.005 0.000 0.652 278 A CB -0.356 18.640 19.000 -0.006 0.000 0.808 278 A HN 0.484 nan 8.150 nan 0.000 0.449 279 S N -2.137 113.564 115.700 0.002 0.000 2.470 279 S HA 0.350 4.820 4.470 -0.000 0.000 0.225 279 S C 1.470 176.074 174.600 0.007 0.000 1.006 279 S CA 1.150 59.354 58.200 0.006 0.000 0.934 279 S CB -0.188 63.017 63.200 0.009 0.000 0.778 279 S HN 1.840 nan 8.310 nan 0.000 0.517 280 G N 0.675 109.478 108.800 0.005 0.000 2.148 280 G HA2 0.031 3.991 3.960 -0.000 0.000 0.203 280 G HA3 0.031 3.991 3.960 -0.000 0.000 0.203 280 G C 0.091 174.996 174.900 0.008 0.000 0.993 280 G CA -0.217 44.886 45.100 0.005 0.000 0.661 280 G HN 1.186 nan 8.290 nan 0.000 0.518 281 A N 0.503 123.328 122.820 0.009 0.000 2.366 281 A HA 0.632 4.952 4.320 -0.000 0.000 0.272 281 A C 1.002 178.589 177.584 0.004 0.000 1.135 281 A CA 0.478 52.522 52.037 0.012 0.000 0.804 281 A CB 0.304 19.314 19.000 0.018 0.000 1.064 281 A HN 0.975 nan 8.150 nan 0.000 0.499 282 N N 1.210 119.912 118.700 0.003 0.000 2.177 282 N HA 0.193 4.932 4.740 -0.000 0.000 0.218 282 N C -0.770 174.727 175.510 -0.022 0.000 1.182 282 N CA -0.004 53.041 53.050 -0.008 0.000 0.882 282 N CB 0.597 39.082 38.487 -0.003 0.000 1.052 282 N HN 0.222 nan 8.380 nan 0.000 0.519 283 V N 1.036 120.937 119.914 -0.021 0.000 2.733 283 V HA 0.494 4.614 4.120 -0.000 0.000 0.306 283 V C -1.606 174.441 176.094 -0.078 0.000 1.084 283 V CA -0.916 61.344 62.300 -0.066 0.000 0.905 283 V CB 2.365 34.174 31.823 -0.023 0.000 1.010 283 V HN 0.165 nan 8.190 nan 0.000 0.424 284 L N 5.003 126.100 121.223 -0.209 0.000 2.409 284 L HA 0.724 5.064 4.340 -0.000 0.000 0.272 284 L C -1.713 174.965 176.870 -0.320 0.000 0.980 284 L CA 0.052 54.801 54.840 -0.152 0.000 0.826 284 L CB 1.688 43.695 42.059 -0.087 0.000 1.268 284 L HN 0.499 nan 8.230 nan 0.000 0.407 285 F N 5.024 124.982 119.950 0.013 0.000 2.382 285 F HA 0.444 4.971 4.527 -0.000 0.000 0.361 285 F C 0.033 175.839 175.800 0.011 0.000 1.109 285 F CA -0.372 57.634 58.000 0.011 0.000 1.031 285 F CB 1.408 40.413 39.000 0.009 0.000 1.234 285 F HN 0.514 nan 8.300 nan 0.000 0.445 286 C N 4.311 123.697 119.300 0.144 0.000 2.341 286 C HA 0.245 4.705 4.460 -0.000 0.000 0.338 286 C C 1.552 176.600 174.990 0.096 0.000 1.257 286 C CA -0.251 58.824 59.018 0.096 0.000 1.883 286 C CB 0.942 28.713 27.740 0.051 0.000 2.334 286 C HN 1.037 nan 8.230 nan 0.000 0.524 287 Q N 2.646 122.489 119.800 0.073 0.000 2.163 287 Q HA 0.049 4.389 4.340 -0.000 0.000 0.198 287 Q C 0.933 176.959 176.000 0.043 0.000 0.954 287 Q CA 0.991 56.828 55.803 0.056 0.000 0.851 287 Q CB 0.214 28.977 28.738 0.041 0.000 0.928 287 Q HN 0.654 nan 8.270 nan 0.000 0.459 288 K N -0.201 120.222 120.400 0.038 0.000 2.720 288 K HA 0.360 4.680 4.320 -0.000 0.000 0.281 288 K C 0.150 176.769 176.600 0.031 0.000 1.019 288 K CA -0.032 56.274 56.287 0.031 0.000 1.088 288 K CB -0.355 32.161 32.500 0.026 0.000 1.449 288 K HN 0.149 nan 8.250 nan 0.000 0.542 289 G N 0.297 109.112 108.800 0.026 0.000 2.476 289 G HA2 0.534 4.494 3.960 -0.000 0.000 0.286 289 G HA3 0.534 4.494 3.960 -0.000 0.000 0.286 289 G C -0.433 174.482 174.900 0.025 0.000 1.177 289 G CA -0.574 44.540 45.100 0.024 0.000 0.870 289 G HN 0.311 nan 8.290 nan 0.000 0.528 290 I N 1.119 121.703 120.570 0.023 0.000 2.406 290 I HA 0.172 4.342 4.170 -0.000 0.000 0.290 290 I C -0.252 175.880 176.117 0.026 0.000 0.999 290 I CA -0.812 60.503 61.300 0.025 0.000 1.124 290 I CB 1.883 39.895 38.000 0.020 0.000 1.289 290 I HN 0.369 nan 8.210 nan 0.000 0.441 291 D N 4.384 124.804 120.400 0.034 0.000 2.400 291 D HA -0.072 4.567 4.640 -0.000 0.000 0.238 291 D C 0.659 176.977 176.300 0.030 0.000 1.157 291 D CA 0.319 54.339 54.000 0.033 0.000 0.889 291 D CB 1.306 42.133 40.800 0.046 0.000 1.199 291 D HN 0.517 nan 8.370 nan 0.000 0.436 292 D N 2.105 122.515 120.400 0.016 0.000 2.144 292 D HA -0.109 4.531 4.640 -0.000 0.000 0.199 292 D C 2.098 178.390 176.300 -0.013 0.000 0.984 292 D CA 0.713 54.713 54.000 -0.000 0.000 0.834 292 D CB 0.091 40.884 40.800 -0.012 0.000 0.955 292 D HN 0.418 nan 8.370 nan 0.000 0.465 293 L N 0.293 121.510 121.223 -0.009 0.000 2.042 293 L HA -0.171 4.169 4.340 -0.000 0.000 0.210 293 L C 2.489 179.349 176.870 -0.017 0.000 1.076 293 L CA 1.338 56.147 54.840 -0.052 0.000 0.749 293 L CB -0.368 41.722 42.059 0.053 0.000 0.893 293 L HN -0.019 nan 8.230 nan 0.000 0.432 294 A N -0.826 122.062 122.820 0.113 0.000 2.015 294 A HA -0.199 4.121 4.320 -0.000 0.000 0.219 294 A C 2.194 179.836 177.584 0.096 0.000 1.163 294 A CA 1.171 53.317 52.037 0.182 0.000 0.646 294 A CB -0.329 18.753 19.000 0.137 0.000 0.806 294 A HN 0.492 nan 8.150 nan 0.000 0.448 295 Q N -1.359 118.465 119.800 0.040 0.000 2.119 295 Q HA -0.176 4.163 4.340 -0.000 0.000 0.201 295 Q C 2.098 178.097 176.000 -0.002 0.000 0.972 295 Q CA 1.366 57.178 55.803 0.015 0.000 0.847 295 Q CB -0.331 28.412 28.738 0.008 0.000 0.903 295 Q HN 0.915 nan 8.270 nan 0.000 0.433 296 H N -0.392 118.595 119.070 -0.139 0.000 2.357 296 H HA -0.138 4.417 4.556 -0.000 0.000 0.301 296 H C 1.269 176.495 175.328 -0.169 0.000 1.082 296 H CA 1.383 57.307 56.048 -0.207 0.000 1.342 296 H CB 0.173 29.729 29.762 -0.344 0.000 1.389 296 H HN 0.282 nan 8.280 nan 0.000 0.511 297 Y N 0.664 120.922 120.300 -0.070 0.000 2.263 297 Y HA -0.076 4.474 4.550 0.000 0.000 0.292 297 Y C 2.900 178.731 175.900 -0.115 0.000 1.130 297 Y CA 0.497 58.527 58.100 -0.117 0.000 1.179 297 Y CB -0.497 37.960 38.460 -0.006 0.000 0.998 297 Y HN 0.104 nan 8.280 nan 0.000 0.532 298 L N -0.764 120.499 121.223 0.066 0.000 2.046 298 L HA -0.236 4.104 4.340 -0.000 0.000 0.208 298 L C 2.600 179.447 176.870 -0.039 0.000 1.077 298 L CA 1.301 56.148 54.840 0.011 0.000 0.747 298 L CB -0.728 41.334 42.059 0.004 0.000 0.896 298 L HN 0.217 nan 8.230 nan 0.000 0.432 299 A N -0.544 122.230 122.820 -0.077 0.000 2.015 299 A HA -0.219 4.101 4.320 -0.000 0.000 0.219 299 A C 2.365 179.884 177.584 -0.108 0.000 1.163 299 A CA 1.580 53.563 52.037 -0.089 0.000 0.646 299 A CB -0.353 18.593 19.000 -0.090 0.000 0.806 299 A HN 0.318 nan 8.150 nan 0.000 0.448 300 K N -0.405 119.897 120.400 -0.162 0.000 2.228 300 K HA -0.077 4.243 4.320 -0.000 0.000 0.202 300 K C 1.308 177.873 176.600 -0.059 0.000 1.051 300 K CA 1.099 57.302 56.287 -0.140 0.000 0.960 300 K CB 0.019 32.399 32.500 -0.200 0.000 0.743 300 K HN 0.397 nan 8.250 nan 0.000 0.458 301 E N -0.711 119.466 120.200 -0.039 0.000 2.371 301 E HA -0.007 4.343 4.350 -0.000 0.000 0.194 301 E C 0.979 177.566 176.600 -0.023 0.000 1.012 301 E CA 0.897 57.285 56.400 -0.020 0.000 0.860 301 E CB 0.634 30.329 29.700 -0.008 0.000 0.811 301 E HN 0.560 nan 8.360 nan 0.000 0.502 302 G N 1.734 110.515 108.800 -0.032 0.000 2.144 302 G HA2 -0.248 3.712 3.960 -0.000 0.000 0.218 302 G HA3 -0.248 3.712 3.960 -0.000 0.000 0.218 302 G C 0.251 175.133 174.900 -0.030 0.000 0.988 302 G CA -0.026 45.057 45.100 -0.029 0.000 0.659 302 G HN 0.216 nan 8.290 nan 0.000 0.522 303 I N 1.826 122.376 120.570 -0.033 0.000 2.322 303 I HA 0.301 4.471 4.170 -0.000 0.000 0.292 303 I C 0.814 176.896 176.117 -0.059 0.000 1.060 303 I CA -0.884 60.392 61.300 -0.039 0.000 1.309 303 I CB 1.393 39.375 38.000 -0.030 0.000 1.415 303 I HN -0.118 nan 8.210 nan 0.000 0.492 304 V N 6.612 126.482 119.914 -0.074 0.000 2.479 304 V HA 0.428 4.548 4.120 -0.000 0.000 0.281 304 V C 0.661 176.648 176.094 -0.179 0.000 1.031 304 V CA -0.123 62.113 62.300 -0.107 0.000 1.038 304 V CB 0.491 32.252 31.823 -0.103 0.000 0.981 304 V HN 0.852 nan 8.190 nan 0.000 0.478 305 A N 4.491 127.208 122.820 -0.172 0.000 2.413 305 A HA 0.999 5.319 4.320 -0.000 0.000 0.307 305 A C -0.358 177.103 177.584 -0.205 0.000 1.087 305 A CA -0.340 51.572 52.037 -0.208 0.000 0.750 305 A CB 2.001 20.935 19.000 -0.111 0.000 1.296 305 A HN 1.390 nan 8.150 nan 0.000 0.423 306 A N 1.428 124.113 122.820 -0.225 0.000 2.398 306 A HA 0.724 5.044 4.320 -0.000 0.000 0.301 306 A C -0.246 177.337 177.584 -0.003 0.000 1.041 306 A CA -0.729 51.246 52.037 -0.103 0.000 0.711 306 A CB 0.947 19.890 19.000 -0.094 0.000 1.240 306 A HN 1.159 nan 8.150 nan 0.000 0.420 307 R N 1.658 122.170 120.500 0.019 0.000 2.643 307 R HA 0.761 5.101 4.340 -0.000 0.000 0.272 307 R C -0.453 175.877 176.300 0.050 0.000 0.995 307 R CA -0.804 55.317 56.100 0.034 0.000 1.032 307 R CB 0.655 30.968 30.300 0.021 0.000 1.126 307 R HN 0.663 nan 8.270 nan 0.000 0.505 308 R N 0.168 120.697 120.500 0.048 0.000 3.127 308 R HA -0.132 4.207 4.340 -0.000 0.000 0.247 308 R C -0.780 175.553 176.300 0.056 0.000 0.896 308 R CA 0.489 56.616 56.100 0.044 0.000 0.624 308 R CB -1.617 28.701 30.300 0.032 0.000 1.154 308 R HN 0.428 nan 8.270 nan 0.000 0.474 309 V N 2.363 122.323 119.914 0.077 0.000 2.546 309 V HA 0.110 4.230 4.120 -0.000 0.000 0.284 309 V C 1.143 177.260 176.094 0.038 0.000 1.050 309 V CA -0.497 61.851 62.300 0.080 0.000 0.981 309 V CB 1.499 33.407 31.823 0.141 0.000 0.990 309 V HN 0.167 nan 8.190 nan 0.000 0.474 310 K N 3.320 123.731 120.400 0.017 0.000 2.527 310 K HA -0.034 4.286 4.320 -0.000 0.000 0.278 310 K C 1.275 177.871 176.600 -0.006 0.000 0.981 310 K CA 0.239 56.527 56.287 0.002 0.000 1.009 310 K CB 0.462 32.956 32.500 -0.009 0.000 0.895 310 K HN 0.616 nan 8.250 nan 0.000 0.493 311 K N 1.677 122.074 120.400 -0.004 0.000 2.152 311 K HA -0.181 4.139 4.320 -0.000 0.000 0.206 311 K C 1.656 178.245 176.600 -0.019 0.000 1.048 311 K CA 1.905 58.188 56.287 -0.007 0.000 0.933 311 K CB 0.125 32.623 32.500 -0.003 0.000 0.721 311 K HN 0.629 nan 8.250 nan 0.000 0.447 312 S N 0.126 115.812 115.700 -0.024 0.000 2.414 312 S HA -0.076 4.394 4.470 -0.000 0.000 0.227 312 S C 1.435 176.004 174.600 -0.051 0.000 1.022 312 S CA 0.914 59.095 58.200 -0.033 0.000 0.958 312 S CB -0.065 63.117 63.200 -0.030 0.000 0.797 312 S HN 0.258 nan 8.310 nan 0.000 0.493 313 D N 1.280 121.644 120.400 -0.059 0.000 2.224 313 D HA 0.079 4.719 4.640 -0.000 0.000 0.205 313 D C 1.895 178.121 176.300 -0.122 0.000 0.965 313 D CA 0.771 54.713 54.000 -0.097 0.000 0.852 313 D CB -0.167 40.574 40.800 -0.099 0.000 0.947 313 D HN 0.322 nan 8.370 nan 0.000 0.494 314 M N 0.386 119.938 119.600 -0.081 0.000 2.175 314 M HA -0.077 4.403 4.480 -0.000 0.000 0.264 314 M C 1.832 178.093 176.300 -0.066 0.000 1.063 314 M CA 1.137 56.394 55.300 -0.072 0.000 1.119 314 M CB -0.671 31.915 32.600 -0.022 0.000 1.377 314 M HN 0.064 nan 8.290 nan 0.000 0.415 315 E N -0.142 120.027 120.200 -0.053 0.000 2.208 315 E HA -0.122 4.228 4.350 -0.000 0.000 0.193 315 E C 2.094 178.660 176.600 -0.056 0.000 0.988 315 E CA 0.580 56.954 56.400 -0.043 0.000 0.828 315 E CB 0.127 29.808 29.700 -0.032 0.000 0.763 315 E HN 0.356 nan 8.360 nan 0.000 0.478 316 K N 0.746 121.101 120.400 -0.076 0.000 2.001 316 K HA -0.092 4.228 4.320 -0.000 0.000 0.208 316 K C 2.255 178.793 176.600 -0.103 0.000 1.048 316 K CA 0.807 57.041 56.287 -0.088 0.000 0.932 316 K CB -0.384 32.053 32.500 -0.105 0.000 0.715 316 K HN 0.178 nan 8.250 nan 0.000 0.437 317 L N 0.776 121.912 121.223 -0.145 0.000 2.083 317 L HA -0.170 4.170 4.340 -0.000 0.000 0.209 317 L C 2.571 179.388 176.870 -0.089 0.000 1.083 317 L CA 1.188 55.928 54.840 -0.166 0.000 0.752 317 L CB -0.546 41.338 42.059 -0.292 0.000 0.899 317 L HN 0.139 nan 8.230 nan 0.000 0.433 318 A N -0.124 122.658 122.820 -0.064 0.000 1.930 318 A HA -0.186 4.134 4.320 -0.000 0.000 0.217 318 A C 2.285 179.856 177.584 -0.021 0.000 1.175 318 A CA 1.512 53.531 52.037 -0.029 0.000 0.627 318 A CB -0.239 18.749 19.000 -0.020 0.000 0.815 318 A HN 0.338 nan 8.150 nan 0.000 0.443 319 K N -0.732 119.649 120.400 -0.031 0.000 2.314 319 K HA 0.214 4.534 4.320 -0.000 0.000 0.198 319 K C 2.083 178.667 176.600 -0.026 0.000 1.045 319 K CA 0.682 56.955 56.287 -0.023 0.000 0.988 319 K CB -0.024 32.458 32.500 -0.029 0.000 0.783 319 K HN 0.421 nan 8.250 nan 0.000 0.484 320 A N 1.251 124.048 122.820 -0.038 0.000 1.887 320 A HA -0.082 4.238 4.320 -0.000 0.000 0.212 320 A C 2.232 179.806 177.584 -0.016 0.000 1.198 320 A CA 1.628 53.641 52.037 -0.040 0.000 0.628 320 A CB -0.585 18.380 19.000 -0.059 0.000 0.847 320 A HN 0.338 nan 8.150 nan 0.000 0.449 321 T N -4.403 110.144 114.554 -0.010 0.000 3.044 321 T HA 0.399 4.749 4.350 -0.000 0.000 0.255 321 T C 1.264 175.981 174.700 0.028 0.000 1.073 321 T CA 1.158 63.266 62.100 0.014 0.000 1.125 321 T CB 0.036 68.915 68.868 0.019 0.000 0.908 321 T HN 1.765 nan 8.240 nan 0.000 0.480 322 G N 1.146 109.960 108.800 0.023 0.000 2.270 322 G HA2 0.249 4.209 3.960 -0.000 0.000 0.224 322 G HA3 0.249 4.209 3.960 -0.000 0.000 0.224 322 G C 0.016 174.932 174.900 0.027 0.000 1.079 322 G CA -0.206 44.913 45.100 0.031 0.000 0.807 322 G HN 1.021 nan 8.290 nan 0.000 0.492 323 A N -0.306 122.528 122.820 0.022 0.000 2.373 323 A HA 0.928 5.248 4.320 -0.000 0.000 0.291 323 A C 0.021 177.617 177.584 0.020 0.000 1.171 323 A CA -0.802 51.251 52.037 0.026 0.000 0.922 323 A CB 1.058 20.080 19.000 0.035 0.000 1.400 323 A HN 0.360 nan 8.150 nan 0.000 0.474 324 N N -0.562 118.152 118.700 0.023 0.000 2.258 324 N HA 0.410 5.149 4.740 -0.000 0.000 0.299 324 N C -1.390 174.133 175.510 0.022 0.000 1.047 324 N CA -0.363 52.698 53.050 0.018 0.000 0.814 324 N CB 2.000 40.497 38.487 0.017 0.000 1.413 324 N HN 0.269 nan 8.380 nan 0.000 0.478 325 V N 3.274 123.198 119.914 0.017 0.000 2.387 325 V HA 0.219 4.339 4.120 -0.000 0.000 0.260 325 V C 0.361 176.467 176.094 0.020 0.000 1.054 325 V CA -0.245 62.068 62.300 0.020 0.000 0.967 325 V CB -0.303 31.529 31.823 0.014 0.000 1.036 325 V HN 0.428 nan 8.190 nan 0.000 0.481 326 I N 4.862 125.447 120.570 0.025 0.000 2.336 326 I HA 0.277 4.447 4.170 -0.000 0.000 0.292 326 I C 1.202 177.332 176.117 0.022 0.000 0.991 326 I CA 0.018 61.331 61.300 0.021 0.000 1.227 326 I CB 1.373 39.386 38.000 0.022 0.000 1.366 326 I HN 0.532 nan 8.210 nan 0.000 0.466 327 T N 3.345 117.909 114.554 0.018 0.000 3.086 327 T HA 0.051 4.401 4.350 -0.000 0.000 0.250 327 T C 0.680 175.390 174.700 0.016 0.000 1.074 327 T CA 0.187 62.297 62.100 0.017 0.000 0.988 327 T CB -0.370 68.507 68.868 0.015 0.000 0.988 327 T HN 0.452 nan 8.240 nan 0.000 0.530 328 N N 0.735 119.444 118.700 0.015 0.000 2.504 328 N HA 0.359 5.099 4.740 -0.000 0.000 0.280 328 N C 0.289 175.807 175.510 0.014 0.000 1.052 328 N CA -0.536 52.522 53.050 0.014 0.000 0.887 328 N CB 0.990 39.484 38.487 0.011 0.000 1.323 328 N HN 0.027 nan 8.380 nan 0.000 0.509 329 I N 2.529 123.108 120.570 0.015 0.000 2.756 329 I HA -0.103 4.067 4.170 -0.000 0.000 0.262 329 I C 1.340 177.463 176.117 0.010 0.000 1.225 329 I CA 0.906 62.214 61.300 0.014 0.000 1.472 329 I CB 0.278 38.287 38.000 0.015 0.000 1.094 329 I HN 0.425 nan 8.210 nan 0.000 0.454 330 K N -0.155 120.250 120.400 0.008 0.000 2.217 330 K HA -0.107 4.213 4.320 -0.000 0.000 0.202 330 K C 1.066 177.669 176.600 0.005 0.000 1.051 330 K CA 0.833 57.123 56.287 0.005 0.000 0.952 330 K CB -0.197 32.305 32.500 0.005 0.000 0.736 330 K HN 0.376 nan 8.250 nan 0.000 0.453 331 D N 0.872 121.276 120.400 0.007 0.000 2.424 331 D HA 0.001 4.640 4.640 -0.000 0.000 0.220 331 D C -0.499 175.806 176.300 0.009 0.000 1.150 331 D CA -0.211 53.794 54.000 0.007 0.000 0.831 331 D CB 0.248 41.053 40.800 0.008 0.000 0.981 331 D HN -0.055 nan 8.370 nan 0.000 0.500 332 L N 1.636 122.865 121.223 0.010 0.000 2.536 332 L HA 0.090 4.430 4.340 -0.000 0.000 0.282 332 L C 0.212 177.088 176.870 0.010 0.000 1.147 332 L CA 0.255 55.102 54.840 0.012 0.000 0.936 332 L CB 0.495 42.562 42.059 0.014 0.000 1.279 332 L HN -0.237 nan 8.230 nan 0.000 0.461 333 S N 3.101 118.807 115.700 0.011 0.000 2.645 333 S HA 0.549 5.019 4.470 -0.000 0.000 0.266 333 S C 1.386 175.993 174.600 0.010 0.000 1.258 333 S CA -0.056 58.150 58.200 0.009 0.000 0.990 333 S CB 1.417 64.622 63.200 0.008 0.000 0.967 333 S HN 0.802 nan 8.310 nan 0.000 0.556 334 A N 1.757 124.582 122.820 0.009 0.000 2.119 334 A HA 0.058 4.377 4.320 -0.000 0.000 0.216 334 A C 1.728 179.319 177.584 0.012 0.000 1.152 334 A CA 0.898 52.941 52.037 0.010 0.000 0.708 334 A CB -0.433 18.571 19.000 0.007 0.000 0.805 334 A HN 0.800 nan 8.150 nan 0.000 0.460 335 Q N 0.042 119.848 119.800 0.011 0.000 2.403 335 Q HA 0.046 4.386 4.340 -0.000 0.000 0.203 335 Q C 0.087 176.096 176.000 0.014 0.000 0.932 335 Q CA 0.583 56.393 55.803 0.011 0.000 0.945 335 Q CB 0.305 29.047 28.738 0.008 0.000 1.045 335 Q HN 0.475 nan 8.270 nan 0.000 0.511 336 D N -0.261 120.149 120.400 0.016 0.000 2.325 336 D HA 0.090 4.730 4.640 -0.000 0.000 0.225 336 D C -0.304 176.011 176.300 0.026 0.000 1.096 336 D CA 0.199 54.211 54.000 0.020 0.000 0.844 336 D CB 0.301 41.112 40.800 0.019 0.000 0.925 336 D HN 0.232 nan 8.370 nan 0.000 0.513 337 L N 0.218 121.457 121.223 0.027 0.000 2.325 337 L HA 0.537 4.877 4.340 -0.000 0.000 0.279 337 L C 1.233 178.125 176.870 0.036 0.000 1.054 337 L CA -0.928 53.933 54.840 0.035 0.000 0.804 337 L CB 1.636 43.714 42.059 0.032 0.000 1.200 337 L HN -0.131 nan 8.230 nan 0.000 0.436 338 G N 0.262 109.090 108.800 0.046 0.000 2.522 338 G HA2 0.405 4.365 3.960 -0.000 0.000 0.304 338 G HA3 0.405 4.365 3.960 -0.000 0.000 0.304 338 G C -1.568 173.360 174.900 0.047 0.000 1.210 338 G CA -0.119 45.007 45.100 0.044 0.000 0.960 338 G HN 0.621 nan 8.290 nan 0.000 0.497 339 D N -1.099 119.327 120.400 0.045 0.000 2.686 339 D HA 0.585 5.225 4.640 -0.000 0.000 0.249 339 D C -0.442 175.886 176.300 0.046 0.000 1.260 339 D CA -0.103 53.923 54.000 0.044 0.000 0.910 339 D CB 1.602 42.424 40.800 0.037 0.000 1.323 339 D HN 0.572 nan 8.370 nan 0.000 0.561 340 A N 1.927 124.778 122.820 0.052 0.000 2.414 340 A HA 0.648 4.968 4.320 -0.000 0.000 0.306 340 A C 1.075 178.690 177.584 0.051 0.000 1.054 340 A CA -0.344 51.724 52.037 0.053 0.000 0.724 340 A CB 1.679 20.717 19.000 0.064 0.000 1.267 340 A HN 0.583 nan 8.150 nan 0.000 0.418 341 G N 0.189 109.017 108.800 0.046 0.000 2.484 341 G HA2 0.333 4.292 3.960 -0.000 0.000 0.218 341 G HA3 0.333 4.292 3.960 -0.000 0.000 0.218 341 G C 0.253 175.179 174.900 0.043 0.000 1.130 341 G CA 0.779 45.903 45.100 0.040 0.000 0.784 341 G HN 0.662 nan 8.290 nan 0.000 0.543 342 L N 0.349 121.606 121.223 0.056 0.000 2.543 342 L HA 0.483 4.823 4.340 -0.000 0.000 0.265 342 L C -1.620 175.304 176.870 0.091 0.000 0.945 342 L CA -0.684 54.193 54.840 0.061 0.000 0.869 342 L CB 2.703 44.794 42.059 0.053 0.000 1.294 342 L HN -0.173 nan 8.230 nan 0.000 0.405 343 V N 3.598 123.567 119.914 0.091 0.000 2.443 343 V HA 0.558 4.678 4.120 -0.000 0.000 0.293 343 V C -0.612 175.543 176.094 0.101 0.000 1.021 343 V CA -0.477 61.900 62.300 0.128 0.000 0.848 343 V CB 1.750 33.655 31.823 0.137 0.000 0.998 343 V HN 0.744 nan 8.190 nan 0.000 0.424 344 E N 3.095 123.372 120.200 0.128 0.000 2.331 344 E HA 0.415 4.765 4.350 -0.000 0.000 0.275 344 E C -1.176 175.489 176.600 0.108 0.000 0.895 344 E CA -0.666 55.778 56.400 0.073 0.000 0.753 344 E CB 2.374 32.078 29.700 0.005 0.000 1.216 344 E HN 0.759 nan 8.360 nan 0.000 0.434 345 E N 4.551 124.789 120.200 0.064 0.000 2.046 345 E HA 0.243 4.593 4.350 -0.000 0.000 0.279 345 E C -0.749 175.865 176.600 0.024 0.000 0.989 345 E CA -0.348 56.103 56.400 0.085 0.000 0.798 345 E CB 0.643 30.381 29.700 0.063 0.000 1.086 345 E HN 0.345 nan 8.360 nan 0.000 0.399 346 R N 3.114 123.620 120.500 0.009 0.000 2.674 346 R HA 0.391 4.731 4.340 -0.000 0.000 0.266 346 R C -0.228 176.080 176.300 0.013 0.000 1.016 346 R CA -0.820 55.216 56.100 -0.107 0.000 1.062 346 R CB 1.259 31.277 30.300 -0.470 0.000 1.142 346 R HN 0.289 nan 8.270 nan 0.000 0.517 347 K N 1.872 122.264 120.400 -0.013 0.000 2.356 347 K HA 0.249 4.569 4.320 -0.000 0.000 0.243 347 K C -0.910 175.710 176.600 0.032 0.000 1.072 347 K CA -0.428 55.876 56.287 0.028 0.000 1.014 347 K CB 0.628 33.135 32.500 0.012 0.000 1.523 347 K HN 0.256 nan 8.250 nan 0.000 0.455 348 I N 1.630 122.259 120.570 0.097 0.000 2.315 348 I HA 0.006 4.176 4.170 -0.000 0.000 0.291 348 I C 0.442 176.612 176.117 0.088 0.000 1.006 348 I CA 0.663 62.029 61.300 0.110 0.000 1.265 348 I CB 1.320 39.468 38.000 0.246 0.000 1.387 348 I HN 0.638 nan 8.210 nan 0.000 0.475 349 S N 5.107 120.840 115.700 0.055 0.000 3.711 349 S HA -0.153 4.317 4.470 -0.000 0.000 0.374 349 S C 1.126 175.745 174.600 0.032 0.000 0.969 349 S CA 1.396 59.620 58.200 0.038 0.000 1.198 349 S CB -1.561 61.662 63.200 0.038 0.000 0.903 349 S HN 2.064 nan 8.310 nan 0.000 0.493 350 G N 0.821 109.638 108.800 0.028 0.000 3.444 350 G HA2 -0.306 3.654 3.960 -0.000 0.000 0.222 350 G HA3 -0.306 3.654 3.960 -0.000 0.000 0.222 350 G C -0.197 174.721 174.900 0.030 0.000 1.358 350 G CA 0.396 45.510 45.100 0.024 0.000 0.880 350 G HN 0.765 nan 8.290 nan 0.000 0.555 351 D N 1.807 122.229 120.400 0.037 0.000 2.372 351 D HA 0.495 5.134 4.640 -0.000 0.000 0.243 351 D C 0.732 177.072 176.300 0.065 0.000 1.121 351 D CA 0.843 54.869 54.000 0.043 0.000 0.898 351 D CB 1.405 42.228 40.800 0.038 0.000 1.202 351 D HN 0.689 nan 8.370 nan 0.000 0.428 352 S N 1.304 117.042 115.700 0.063 0.000 2.442 352 S HA 0.693 5.163 4.470 -0.000 0.000 0.297 352 S C -0.075 174.588 174.600 0.106 0.000 1.131 352 S CA -0.842 57.408 58.200 0.084 0.000 1.092 352 S CB 1.268 64.503 63.200 0.058 0.000 0.998 352 S HN 0.376 nan 8.310 nan 0.000 0.478 353 M N 2.375 122.078 119.600 0.173 0.000 2.691 353 M HA 0.522 5.002 4.480 -0.000 0.000 0.293 353 M C -1.098 175.361 176.300 0.264 0.000 1.259 353 M CA -0.744 54.660 55.300 0.173 0.000 0.827 353 M CB 2.179 34.845 32.600 0.110 0.000 1.753 353 M HN 0.575 nan 8.290 nan 0.000 0.465 354 I N 1.819 122.515 120.570 0.210 0.000 2.297 354 I HA 0.241 4.410 4.170 -0.000 0.000 0.291 354 I C -1.205 175.069 176.117 0.261 0.000 1.033 354 I CA -0.274 61.188 61.300 0.270 0.000 1.253 354 I CB 0.392 38.567 38.000 0.293 0.000 1.396 354 I HN 0.385 nan 8.210 nan 0.000 0.476 355 F N 6.327 126.320 119.950 0.071 0.000 2.375 355 F HA 0.223 4.750 4.527 -0.000 0.000 0.362 355 F C 0.361 176.199 175.800 0.063 0.000 1.129 355 F CA -0.487 57.542 58.000 0.049 0.000 1.154 355 F CB 0.949 39.968 39.000 0.032 0.000 1.205 355 F HN 0.073 nan 8.300 nan 0.000 0.513 356 V N 5.182 125.183 119.914 0.146 0.000 2.284 356 V HA 0.238 4.358 4.120 -0.000 0.000 0.260 356 V C -0.003 176.136 176.094 0.076 0.000 1.084 356 V CA -0.410 61.959 62.300 0.115 0.000 0.894 356 V CB -0.253 31.597 31.823 0.045 0.000 1.119 356 V HN 0.777 nan 8.190 nan 0.000 0.484 357 E N 2.443 122.709 120.200 0.110 0.000 2.404 357 E HA 0.627 4.977 4.350 -0.000 0.000 0.264 357 E C -0.558 176.082 176.600 0.065 0.000 0.946 357 E CA -1.036 55.416 56.400 0.086 0.000 0.806 357 E CB 1.326 31.107 29.700 0.134 0.000 1.334 357 E HN 0.314 nan 8.360 nan 0.000 0.429 358 E N -0.706 119.525 120.200 0.051 0.000 2.320 358 E HA -0.180 4.170 4.350 -0.000 0.000 0.234 358 E C -0.811 175.810 176.600 0.036 0.000 1.183 358 E CA 0.237 56.661 56.400 0.040 0.000 0.713 358 E CB -1.925 27.799 29.700 0.041 0.000 1.226 358 E HN 0.450 nan 8.360 nan 0.000 0.382 359 C N 0.621 119.939 119.300 0.029 0.000 2.520 359 C HA 0.189 4.649 4.460 -0.000 0.000 0.376 359 C C 1.988 176.999 174.990 0.035 0.000 1.268 359 C CA -0.830 58.206 59.018 0.030 0.000 2.414 359 C CB 1.090 28.841 27.740 0.018 0.000 2.521 359 C HN 0.376 nan 8.230 nan 0.000 0.618 360 K N 0.594 121.025 120.400 0.052 0.000 1.995 360 K HA -0.026 4.294 4.320 -0.000 0.000 0.207 360 K C 0.532 177.202 176.600 0.118 0.000 1.041 360 K CA 1.521 57.853 56.287 0.075 0.000 0.942 360 K CB -0.335 32.209 32.500 0.074 0.000 0.731 360 K HN 0.739 nan 8.250 nan 0.000 0.439 361 H N 1.321 120.393 119.070 0.004 0.000 2.541 361 H HA 0.274 4.830 4.556 0.000 0.000 0.246 361 H C -2.646 172.681 175.328 -0.002 0.000 1.341 361 H CA -2.182 53.867 56.048 0.001 0.000 1.469 361 H CB 0.474 30.237 29.762 0.002 0.000 1.472 361 H HN -0.055 nan 8.280 nan 0.000 0.503 362 P HA 0.202 nan 4.420 nan 0.000 0.285 362 P C 0.258 177.455 177.300 -0.171 0.000 1.259 362 P CA -0.635 62.394 63.100 -0.119 0.000 0.794 362 P CB 1.412 33.060 31.700 -0.087 0.000 0.940 363 K N 0.624 120.964 120.400 -0.101 0.000 2.358 363 K HA 0.397 4.717 4.320 -0.000 0.000 0.200 363 K C 0.378 176.940 176.600 -0.064 0.000 1.030 363 K CA 0.040 56.276 56.287 -0.085 0.000 1.097 363 K CB 0.742 33.215 32.500 -0.045 0.000 0.862 363 K HN 0.515 nan 8.250 nan 0.000 0.534 364 A N 0.658 123.440 122.820 -0.063 0.000 2.401 364 A HA 0.716 5.036 4.320 -0.000 0.000 0.310 364 A C -0.997 176.550 177.584 -0.062 0.000 1.075 364 A CA -0.564 51.437 52.037 -0.059 0.000 0.746 364 A CB 1.858 20.823 19.000 -0.059 0.000 1.277 364 A HN -0.092 nan 8.150 nan 0.000 0.425 365 V N 0.926 120.806 119.914 -0.058 0.000 2.888 365 V HA 0.578 4.698 4.120 -0.000 0.000 0.309 365 V C -0.387 175.674 176.094 -0.055 0.000 1.114 365 V CA -0.421 61.847 62.300 -0.054 0.000 0.940 365 V CB 2.700 34.494 31.823 -0.048 0.000 1.021 365 V HN 0.993 nan 8.190 nan 0.000 0.426 366 T N 5.775 120.295 114.554 -0.057 0.000 2.794 366 T HA 0.513 4.863 4.350 -0.000 0.000 0.280 366 T C -0.317 174.355 174.700 -0.047 0.000 0.987 366 T CA -0.461 61.601 62.100 -0.064 0.000 0.993 366 T CB 0.996 69.807 68.868 -0.096 0.000 0.939 366 T HN 0.334 nan 8.240 nan 0.000 0.449 367 M N 3.827 123.402 119.600 -0.042 0.000 2.055 367 M HA 0.323 4.803 4.480 -0.000 0.000 0.347 367 M C -0.695 175.587 176.300 -0.029 0.000 1.123 367 M CA -1.035 54.248 55.300 -0.028 0.000 1.035 367 M CB 0.663 33.249 32.600 -0.022 0.000 1.484 367 M HN 0.443 nan 8.290 nan 0.000 0.428 368 L N 6.480 127.691 121.223 -0.019 0.000 2.334 368 L HA 0.420 4.760 4.340 -0.000 0.000 0.286 368 L C -0.638 176.233 176.870 0.001 0.000 1.108 368 L CA 0.274 55.106 54.840 -0.013 0.000 0.875 368 L CB -0.145 41.918 42.059 0.007 0.000 1.246 368 L HN 0.523 nan 8.230 nan 0.000 0.439 369 I N 5.767 126.333 120.570 -0.006 0.000 2.337 369 I HA 0.327 4.497 4.170 -0.000 0.000 0.291 369 I C 0.255 176.375 176.117 0.004 0.000 1.046 369 I CA -0.167 61.133 61.300 -0.000 0.000 1.324 369 I CB 0.254 38.252 38.000 -0.004 0.000 1.409 369 I HN 0.554 nan 8.210 nan 0.000 0.494 370 R N 4.510 125.016 120.500 0.011 0.000 2.803 370 R HA 0.885 5.225 4.340 -0.000 0.000 0.276 370 R C -0.267 176.040 176.300 0.012 0.000 0.978 370 R CA -1.001 55.107 56.100 0.014 0.000 0.939 370 R CB 2.365 32.679 30.300 0.023 0.000 1.179 370 R HN 0.777 nan 8.270 nan 0.000 0.472 371 G N -0.764 108.043 108.800 0.011 0.000 2.506 371 G HA2 0.194 4.154 3.960 -0.000 0.000 0.292 371 G HA3 0.194 4.154 3.960 -0.000 0.000 0.292 371 G C 0.372 175.279 174.900 0.012 0.000 1.425 371 G CA -0.306 44.801 45.100 0.012 0.000 0.788 371 G HN 0.495 nan 8.290 nan 0.000 0.490 372 T N -2.575 111.988 114.554 0.014 0.000 2.896 372 T HA 0.190 4.540 4.350 -0.000 0.000 0.263 372 T C 1.353 176.062 174.700 0.015 0.000 1.050 372 T CA 1.988 64.097 62.100 0.015 0.000 1.140 372 T CB -0.369 68.509 68.868 0.016 0.000 0.877 372 T HN 1.347 nan 8.240 nan 0.000 0.457 373 T N -1.333 113.234 114.554 0.020 0.000 2.924 373 T HA 0.572 4.922 4.350 -0.000 0.000 0.291 373 T C 0.596 175.297 174.700 0.001 0.000 1.045 373 T CA -0.687 61.427 62.100 0.022 0.000 1.015 373 T CB 2.467 71.367 68.868 0.053 0.000 1.103 373 T HN -0.033 nan 8.240 nan 0.000 0.496 374 E N 0.059 120.232 120.200 -0.045 0.000 2.150 374 E HA -0.103 4.247 4.350 -0.000 0.000 0.193 374 E C 1.505 178.016 176.600 -0.149 0.000 0.985 374 E CA 1.597 57.924 56.400 -0.122 0.000 0.814 374 E CB -0.414 29.169 29.700 -0.194 0.000 0.752 374 E HN 0.869 nan 8.360 nan 0.000 0.466 375 H N -1.630 117.443 119.070 0.005 0.000 2.470 375 H HA 0.037 4.593 4.556 -0.000 0.000 0.289 375 H C 1.863 177.194 175.328 0.004 0.000 1.033 375 H CA 1.007 57.057 56.048 0.004 0.000 1.331 375 H CB 0.395 30.159 29.762 0.004 0.000 1.414 375 H HN 0.016 nan 8.280 nan 0.000 0.545 376 V N 0.463 120.439 119.914 0.104 0.000 2.323 376 V HA -0.199 3.921 4.120 -0.000 0.000 0.244 376 V C 2.219 178.335 176.094 0.037 0.000 1.041 376 V CA 1.522 63.859 62.300 0.061 0.000 1.025 376 V CB -0.324 31.525 31.823 0.044 0.000 0.656 376 V HN 0.396 nan 8.190 nan 0.000 0.451 377 I N -0.037 120.544 120.570 0.019 0.000 2.163 377 I HA -0.290 3.880 4.170 -0.000 0.000 0.243 377 I C 2.605 178.725 176.117 0.006 0.000 1.085 377 I CA 1.963 63.266 61.300 0.005 0.000 1.347 377 I CB -0.328 37.665 38.000 -0.011 0.000 1.044 377 I HN 0.391 nan 8.210 nan 0.000 0.408 378 E N 0.449 120.652 120.200 0.005 0.000 2.204 378 E HA -0.282 4.068 4.350 -0.000 0.000 0.194 378 E C 1.939 178.554 176.600 0.025 0.000 0.989 378 E CA 1.153 57.558 56.400 0.009 0.000 0.824 378 E CB 0.174 29.879 29.700 0.008 0.000 0.756 378 E HN 0.354 nan 8.360 nan 0.000 0.477 379 E N -0.336 119.886 120.200 0.037 0.000 2.122 379 E HA -0.076 4.274 4.350 -0.000 0.000 0.190 379 E C 1.852 178.465 176.600 0.022 0.000 0.977 379 E CA 0.639 57.059 56.400 0.033 0.000 0.820 379 E CB 0.091 29.814 29.700 0.039 0.000 0.770 379 E HN 0.058 nan 8.360 nan 0.000 0.462 380 V N 0.926 120.851 119.914 0.019 0.000 2.515 380 V HA -0.190 3.930 4.120 -0.000 0.000 0.250 380 V C 2.307 178.406 176.094 0.009 0.000 1.058 380 V CA 1.583 63.891 62.300 0.014 0.000 1.064 380 V CB -0.763 31.067 31.823 0.012 0.000 0.675 380 V HN 0.441 nan 8.190 nan 0.000 0.461 381 A N -0.053 122.771 122.820 0.007 0.000 1.930 381 A HA -0.191 4.129 4.320 -0.000 0.000 0.217 381 A C 2.388 179.974 177.584 0.003 0.000 1.175 381 A CA 1.526 53.564 52.037 0.002 0.000 0.627 381 A CB -0.433 18.566 19.000 -0.002 0.000 0.815 381 A HN 0.482 nan 8.150 nan 0.000 0.443 382 R N -0.737 119.768 120.500 0.008 0.000 2.148 382 R HA 0.027 4.367 4.340 -0.000 0.000 0.223 382 R C 2.267 178.572 176.300 0.008 0.000 1.088 382 R CA 0.889 56.994 56.100 0.008 0.000 0.985 382 R CB -0.281 30.027 30.300 0.012 0.000 0.880 382 R HN 0.510 nan 8.270 nan 0.000 0.451 383 A N 0.295 123.121 122.820 0.009 0.000 2.014 383 A HA -0.035 4.285 4.320 -0.000 0.000 0.218 383 A C 2.090 179.678 177.584 0.007 0.000 1.163 383 A CA 0.838 52.881 52.037 0.010 0.000 0.652 383 A CB 0.058 19.065 19.000 0.013 0.000 0.808 383 A HN 0.096 nan 8.150 nan 0.000 0.449 384 V N -0.103 119.813 119.914 0.004 0.000 2.725 384 V HA -0.111 4.009 4.120 -0.000 0.000 0.247 384 V C 1.866 177.959 176.094 -0.002 0.000 1.058 384 V CA 1.609 63.909 62.300 0.000 0.000 1.080 384 V CB -0.426 31.396 31.823 -0.002 0.000 0.713 384 V HN 0.458 nan 8.190 nan 0.000 0.465 385 D N 0.395 120.794 120.400 -0.001 0.000 2.178 385 D HA -0.150 4.489 4.640 -0.000 0.000 0.202 385 D C 1.683 177.982 176.300 -0.001 0.000 0.974 385 D CA 1.345 55.343 54.000 -0.003 0.000 0.841 385 D CB 0.038 40.836 40.800 -0.002 0.000 0.953 385 D HN 0.435 nan 8.370 nan 0.000 0.478 386 D N 0.302 120.703 120.400 0.001 0.000 2.137 386 D HA -0.016 4.624 4.640 -0.000 0.000 0.202 386 D C 2.027 178.329 176.300 0.003 0.000 0.970 386 D CA 1.059 55.061 54.000 0.003 0.000 0.837 386 D CB -0.256 40.547 40.800 0.005 0.000 0.981 386 D HN 0.077 nan 8.370 nan 0.000 0.475 387 A N 0.367 123.189 122.820 0.003 0.000 1.933 387 A HA -0.118 4.202 4.320 -0.000 0.000 0.218 387 A C 2.346 179.929 177.584 -0.001 0.000 1.175 387 A CA 1.031 53.069 52.037 0.002 0.000 0.628 387 A CB -0.656 18.346 19.000 0.003 0.000 0.814 387 A HN 0.149 nan 8.150 nan 0.000 0.444 388 V N -0.252 119.660 119.914 -0.003 0.000 2.548 388 V HA -0.127 3.993 4.120 -0.000 0.000 0.249 388 V C 2.759 178.850 176.094 -0.005 0.000 1.055 388 V CA 1.699 63.996 62.300 -0.006 0.000 1.065 388 V CB -1.209 30.608 31.823 -0.009 0.000 0.681 388 V HN 0.608 nan 8.190 nan 0.000 0.462 389 G N 0.706 109.504 108.800 -0.003 0.000 2.421 389 G HA2 -0.216 3.744 3.960 -0.000 0.000 0.216 389 G HA3 -0.216 3.744 3.960 -0.000 0.000 0.216 389 G C 1.708 176.607 174.900 -0.001 0.000 1.171 389 G CA 1.576 46.674 45.100 -0.002 0.000 0.775 389 G HN 0.556 nan 8.290 nan 0.000 0.543 390 V N -1.233 118.681 119.914 0.000 0.000 2.548 390 V HA -0.032 4.088 4.120 -0.000 0.000 0.249 390 V C 2.679 178.773 176.094 0.001 0.000 1.055 390 V CA 1.356 63.657 62.300 0.001 0.000 1.065 390 V CB -0.578 31.247 31.823 0.004 0.000 0.681 390 V HN 0.137 nan 8.190 nan 0.000 0.462 391 V N 1.974 121.888 119.914 -0.001 0.000 2.453 391 V HA -0.021 4.099 4.120 -0.000 0.000 0.247 391 V C 2.885 178.977 176.094 -0.003 0.000 1.048 391 V CA 2.110 64.409 62.300 -0.002 0.000 1.049 391 V CB -1.329 30.492 31.823 -0.003 0.000 0.672 391 V HN 0.617 nan 8.190 nan 0.000 0.457 392 G N -1.318 107.480 108.800 -0.004 0.000 2.408 392 G HA2 -0.237 3.723 3.960 -0.000 0.000 0.217 392 G HA3 -0.237 3.723 3.960 -0.000 0.000 0.217 392 G C 1.662 176.560 174.900 -0.003 0.000 1.150 392 G CA 1.228 46.325 45.100 -0.005 0.000 0.776 392 G HN 0.538 nan 8.290 nan 0.000 0.542 393 C N 0.652 119.951 119.300 -0.002 0.000 2.432 393 C HA 0.050 4.510 4.460 -0.000 0.000 0.280 393 C C 3.132 178.122 174.990 -0.000 0.000 1.353 393 C CA 1.442 60.460 59.018 -0.001 0.000 1.766 393 C CB -0.775 26.965 27.740 0.000 0.000 1.924 393 C HN 0.435 nan 8.230 nan 0.000 0.509 394 T N 0.927 115.481 114.554 0.000 0.000 2.937 394 T HA 0.063 4.413 4.350 -0.000 0.000 0.260 394 T C 1.652 176.352 174.700 0.000 0.000 1.051 394 T CA 0.860 62.960 62.100 0.001 0.000 1.141 394 T CB -0.132 68.736 68.868 0.001 0.000 0.879 394 T HN 0.446 nan 8.240 nan 0.000 0.459 395 I N 1.192 121.761 120.570 -0.001 0.000 2.226 395 I HA -0.161 4.009 4.170 -0.000 0.000 0.245 395 I C 2.611 178.727 176.117 -0.001 0.000 1.100 395 I CA 1.424 62.723 61.300 -0.001 0.000 1.374 395 I CB -0.283 37.716 38.000 -0.002 0.000 1.057 395 I HN 0.316 nan 8.210 nan 0.000 0.413 396 E N 0.567 120.767 120.200 -0.001 0.000 2.028 396 E HA -0.183 4.166 4.350 -0.000 0.000 0.190 396 E C 1.725 178.324 176.600 -0.000 0.000 0.984 396 E CA 1.258 57.658 56.400 -0.001 0.000 0.800 396 E CB -0.036 29.663 29.700 -0.001 0.000 0.758 396 E HN 0.442 nan 8.360 nan 0.000 0.448 397 D N -0.701 119.699 120.400 -0.000 0.000 2.110 397 D HA -0.043 4.597 4.640 -0.000 0.000 0.202 397 D C 1.418 177.718 176.300 0.000 0.000 0.975 397 D CA 1.413 55.413 54.000 -0.000 0.000 0.839 397 D CB -0.205 40.595 40.800 0.000 0.000 0.996 397 D HN 0.351 nan 8.370 nan 0.000 0.464 398 G N 0.697 109.497 108.800 0.000 0.000 2.148 398 G HA2 -0.321 3.639 3.960 -0.000 0.000 0.254 398 G HA3 -0.321 3.639 3.960 -0.000 0.000 0.254 398 G C 0.260 175.160 174.900 0.001 0.000 0.981 398 G CA 0.180 45.280 45.100 0.001 0.000 0.670 398 G HN 0.319 nan 8.290 nan 0.000 0.528 399 R N -0.143 120.357 120.500 0.001 0.000 2.561 399 R HA 0.727 5.067 4.340 -0.000 0.000 0.297 399 R C 0.342 176.644 176.300 0.002 0.000 0.969 399 R CA -0.639 55.462 56.100 0.001 0.000 0.879 399 R CB 1.648 31.948 30.300 0.000 0.000 1.178 399 R HN 0.529 nan 8.270 nan 0.000 0.445 400 I N -0.440 120.132 120.570 0.003 0.000 3.002 400 I HA 0.796 4.966 4.170 -0.000 0.000 0.310 400 I C -0.481 175.640 176.117 0.007 0.000 1.087 400 I CA -1.173 60.130 61.300 0.005 0.000 1.017 400 I CB 2.190 40.193 38.000 0.006 0.000 1.226 400 I HN 0.392 nan 8.210 nan 0.000 0.443 401 V N 0.381 120.301 119.914 0.009 0.000 3.126 401 V HA 0.738 4.858 4.120 -0.000 0.000 0.314 401 V C 0.122 176.226 176.094 0.017 0.000 1.138 401 V CA -0.513 61.795 62.300 0.013 0.000 1.034 401 V CB 1.222 33.054 31.823 0.014 0.000 1.075 401 V HN 1.000 nan 8.190 nan 0.000 0.442 402 S N 0.707 116.421 115.700 0.022 0.000 2.586 402 S HA 0.802 5.271 4.470 -0.000 0.000 0.274 402 S C 0.336 174.954 174.600 0.029 0.000 1.281 402 S CA 0.089 58.305 58.200 0.027 0.000 1.035 402 S CB 1.059 64.278 63.200 0.032 0.000 0.962 402 S HN 1.709 nan 8.310 nan 0.000 0.512 403 G N -0.156 108.661 108.800 0.028 0.000 2.702 403 G HA2 0.564 4.524 3.960 -0.000 0.000 0.254 403 G HA3 0.564 4.524 3.960 -0.000 0.000 0.254 403 G C 0.810 175.725 174.900 0.025 0.000 1.380 403 G CA -0.645 44.470 45.100 0.024 0.000 1.042 403 G HN 2.020 nan 8.290 nan 0.000 0.557 404 G N -1.982 106.827 108.800 0.014 0.000 2.198 404 G HA2 0.257 4.217 3.960 -0.000 0.000 0.260 404 G HA3 0.257 4.217 3.960 -0.000 0.000 0.260 404 G C 1.401 176.299 174.900 -0.003 0.000 1.025 404 G CA 1.088 46.191 45.100 0.004 0.000 0.769 404 G HN 2.488 nan 8.290 nan 0.000 0.507 405 G N -1.488 107.307 108.800 -0.007 0.000 2.153 405 G HA2 -0.116 3.844 3.960 -0.000 0.000 0.252 405 G HA3 -0.116 3.844 3.960 -0.000 0.000 0.252 405 G C 1.345 176.236 174.900 -0.015 0.000 0.994 405 G CA 1.648 46.736 45.100 -0.020 0.000 0.698 405 G HN 1.835 nan 8.290 nan 0.000 0.521 406 S N -0.367 115.347 115.700 0.024 0.000 2.345 406 S HA -0.067 4.403 4.470 -0.000 0.000 0.219 406 S C 2.678 177.334 174.600 0.093 0.000 1.031 406 S CA 2.384 60.634 58.200 0.083 0.000 0.984 406 S CB -0.359 62.908 63.200 0.112 0.000 0.874 406 S HN 1.253 nan 8.310 nan 0.000 0.451 407 T N -1.052 113.539 114.554 0.062 0.000 3.113 407 T HA 0.148 4.498 4.350 -0.000 0.000 0.263 407 T C 1.248 175.958 174.700 0.018 0.000 1.143 407 T CA 0.886 63.019 62.100 0.055 0.000 1.090 407 T CB -0.236 68.655 68.868 0.038 0.000 0.922 407 T HN 0.322 nan 8.240 nan 0.000 0.521 408 E N 0.796 120.987 120.200 -0.014 0.000 2.086 408 E HA 0.100 4.450 4.350 -0.000 0.000 0.190 408 E C 2.269 178.826 176.600 -0.072 0.000 0.975 408 E CA 0.401 56.779 56.400 -0.038 0.000 0.813 408 E CB -0.306 29.364 29.700 -0.049 0.000 0.768 408 E HN 0.311 nan 8.360 nan 0.000 0.457 409 V N 1.029 120.858 119.914 -0.143 0.000 2.307 409 V HA -0.247 3.873 4.120 -0.000 0.000 0.245 409 V C 2.317 178.264 176.094 -0.245 0.000 1.045 409 V CA 2.051 64.189 62.300 -0.270 0.000 1.024 409 V CB -0.393 31.116 31.823 -0.524 0.000 0.651 409 V HN 0.234 nan 8.190 nan 0.000 0.449 410 E N 0.355 120.462 120.200 -0.154 0.000 2.051 410 E HA -0.248 4.102 4.350 -0.000 0.000 0.192 410 E C 1.953 178.585 176.600 0.054 0.000 0.991 410 E CA 1.548 58.015 56.400 0.111 0.000 0.799 410 E CB -0.429 29.430 29.700 0.265 0.000 0.748 410 E HN 0.407 nan 8.360 nan 0.000 0.449 411 L N 0.048 121.288 121.223 0.028 0.000 2.141 411 L HA -0.035 4.305 4.340 -0.000 0.000 0.209 411 L C 2.346 179.234 176.870 0.029 0.000 1.094 411 L CA 1.809 56.665 54.840 0.026 0.000 0.763 411 L CB -0.792 41.282 42.059 0.025 0.000 0.908 411 L HN 0.192 nan 8.230 nan 0.000 0.437 412 S N -0.390 115.314 115.700 0.007 0.000 2.355 412 S HA -0.234 4.236 4.470 -0.000 0.000 0.222 412 S C 2.127 176.744 174.600 0.027 0.000 1.031 412 S CA 1.648 59.856 58.200 0.013 0.000 0.993 412 S CB -0.307 62.877 63.200 -0.027 0.000 0.859 412 S HN 0.627 nan 8.310 nan 0.000 0.453 413 M N -0.267 119.341 119.600 0.014 0.000 2.319 413 M HA 0.115 4.595 4.480 -0.000 0.000 0.265 413 M C 1.692 178.025 176.300 0.054 0.000 1.068 413 M CA 1.350 56.669 55.300 0.032 0.000 1.118 413 M CB -0.217 32.402 32.600 0.032 0.000 1.395 413 M HN -0.007 nan 8.290 nan 0.000 0.435 414 K N 1.166 121.599 120.400 0.056 0.000 2.228 414 K HA 0.133 4.453 4.320 -0.000 0.000 0.202 414 K C 1.983 178.634 176.600 0.086 0.000 1.051 414 K CA 0.974 57.298 56.287 0.061 0.000 0.960 414 K CB -0.252 32.271 32.500 0.039 0.000 0.743 414 K HN 0.489 nan 8.250 nan 0.000 0.458 415 L N 0.234 121.509 121.223 0.086 0.000 2.217 415 L HA -0.054 4.286 4.340 -0.000 0.000 0.211 415 L C 2.455 179.433 176.870 0.180 0.000 1.107 415 L CA 0.761 55.686 54.840 0.142 0.000 0.783 415 L CB -0.140 41.993 42.059 0.123 0.000 0.919 415 L HN 0.093 nan 8.230 nan 0.000 0.442 416 R N 0.202 120.772 120.500 0.117 0.000 2.119 416 R HA -0.122 4.218 4.340 -0.000 0.000 0.222 416 R C 1.980 178.326 176.300 0.077 0.000 1.088 416 R CA 1.275 57.428 56.100 0.089 0.000 0.984 416 R CB 0.062 30.398 30.300 0.061 0.000 0.884 416 R HN 0.539 nan 8.270 nan 0.000 0.447 417 E N -0.817 119.437 120.200 0.091 0.000 2.385 417 E HA -0.155 4.195 4.350 -0.000 0.000 0.194 417 E C 1.418 178.078 176.600 0.100 0.000 1.013 417 E CA 0.406 56.851 56.400 0.074 0.000 0.866 417 E CB -0.223 29.517 29.700 0.066 0.000 0.832 417 E HN 0.358 nan 8.360 nan 0.000 0.500 418 Y N 1.816 122.121 120.300 0.008 0.000 2.395 418 Y HA 0.158 4.708 4.550 -0.000 0.000 0.293 418 Y C 2.331 178.232 175.900 0.002 0.000 1.123 418 Y CA 0.973 59.074 58.100 0.001 0.000 1.227 418 Y CB -0.158 38.298 38.460 -0.006 0.000 1.012 418 Y HN 0.120 nan 8.280 nan 0.000 0.552 419 A N 0.447 123.222 122.820 -0.075 0.000 1.969 419 A HA -0.142 4.178 4.320 -0.000 0.000 0.218 419 A C 2.000 179.503 177.584 -0.135 0.000 1.169 419 A CA 1.591 53.541 52.037 -0.143 0.000 0.635 419 A CB -0.587 18.412 19.000 -0.001 0.000 0.810 419 A HN 0.616 nan 8.150 nan 0.000 0.445 420 E N -0.518 119.636 120.200 -0.076 0.000 2.204 420 E HA -0.111 4.239 4.350 -0.000 0.000 0.195 420 E C 1.569 178.118 176.600 -0.086 0.000 0.990 420 E CA 0.671 57.036 56.400 -0.058 0.000 0.821 420 E CB -0.242 29.444 29.700 -0.023 0.000 0.750 420 E HN 0.588 nan 8.360 nan 0.000 0.477 421 G N 0.748 109.464 108.800 -0.140 0.000 3.383 421 G HA2 0.200 4.160 3.960 -0.000 0.000 0.251 421 G HA3 0.200 4.160 3.960 -0.000 0.000 0.251 421 G C 0.242 175.024 174.900 -0.195 0.000 1.203 421 G CA -0.235 44.779 45.100 -0.144 0.000 0.852 421 G HN 0.012 nan 8.290 nan 0.000 0.531 422 I N 1.707 122.158 120.570 -0.198 0.000 2.418 422 I HA 0.256 4.426 4.170 -0.000 0.000 0.287 422 I C -0.102 175.956 176.117 -0.099 0.000 1.008 422 I CA -0.741 60.453 61.300 -0.177 0.000 1.104 422 I CB 2.209 40.072 38.000 -0.228 0.000 1.264 422 I HN 0.064 nan 8.210 nan 0.000 0.438 423 S N 4.254 119.911 115.700 -0.072 0.000 2.578 423 S HA 0.947 5.417 4.470 -0.000 0.000 0.283 423 S C 0.138 174.716 174.600 -0.038 0.000 1.195 423 S CA -0.152 58.020 58.200 -0.047 0.000 1.050 423 S CB 1.868 65.046 63.200 -0.037 0.000 1.012 423 S HN 1.225 nan 8.310 nan 0.000 0.511 424 G N 1.322 110.106 108.800 -0.027 0.000 2.462 424 G HA2 -0.100 3.860 3.960 -0.000 0.000 0.685 424 G HA3 -0.100 3.860 3.960 -0.000 0.000 0.685 424 G C -0.127 174.765 174.900 -0.013 0.000 1.295 424 G CA -0.514 44.575 45.100 -0.019 0.000 0.941 424 G HN 0.708 nan 8.290 nan 0.000 0.554 425 R N 0.288 120.785 120.500 -0.006 0.000 2.275 425 R HA 0.104 4.444 4.340 -0.000 0.000 0.199 425 R C 2.494 178.799 176.300 0.009 0.000 0.989 425 R CA 1.393 57.495 56.100 0.003 0.000 1.016 425 R CB -0.137 30.167 30.300 0.006 0.000 0.918 425 R HN 0.754 nan 8.270 nan 0.000 0.473 426 E N 0.215 120.417 120.200 0.004 0.000 2.204 426 E HA -0.300 4.050 4.350 -0.000 0.000 0.195 426 E C 1.691 178.306 176.600 0.026 0.000 0.990 426 E CA 0.898 57.308 56.400 0.016 0.000 0.821 426 E CB -0.231 29.474 29.700 0.008 0.000 0.750 426 E HN 0.365 nan 8.360 nan 0.000 0.477 427 Q N 1.306 121.108 119.800 0.004 0.000 2.135 427 Q HA -0.177 4.163 4.340 -0.000 0.000 0.204 427 Q C 2.189 178.210 176.000 0.035 0.000 0.981 427 Q CA 1.308 57.110 55.803 -0.001 0.000 0.856 427 Q CB -0.108 28.617 28.738 -0.022 0.000 0.902 427 Q HN 0.451 nan 8.270 nan 0.000 0.425 428 L N -0.111 121.137 121.223 0.042 0.000 2.275 428 L HA -0.075 4.265 4.340 -0.000 0.000 0.215 428 L C 2.378 179.314 176.870 0.110 0.000 1.119 428 L CA 0.709 55.585 54.840 0.060 0.000 0.790 428 L CB -0.372 41.712 42.059 0.041 0.000 0.919 428 L HN 0.261 nan 8.230 nan 0.000 0.443 429 A N -0.609 122.289 122.820 0.131 0.000 1.984 429 A HA -0.011 4.309 4.320 -0.000 0.000 0.214 429 A C 2.242 180.056 177.584 0.382 0.000 1.173 429 A CA 0.664 52.851 52.037 0.249 0.000 0.673 429 A CB -0.326 18.770 19.000 0.160 0.000 0.830 429 A HN 0.146 nan 8.150 nan 0.000 0.453 430 V N 0.330 120.382 119.914 0.229 0.000 2.358 430 V HA -0.232 3.888 4.120 -0.000 0.000 0.246 430 V C 2.543 178.756 176.094 0.199 0.000 1.047 430 V CA 2.069 64.486 62.300 0.196 0.000 1.035 430 V CB -0.853 31.043 31.823 0.122 0.000 0.658 430 V HN 0.507 nan 8.190 nan 0.000 0.452 431 R N 0.453 121.042 120.500 0.149 0.000 2.096 431 R HA -0.085 4.255 4.340 -0.000 0.000 0.235 431 R C 2.434 178.817 176.300 0.138 0.000 1.127 431 R CA 1.397 57.569 56.100 0.121 0.000 0.968 431 R CB -0.579 29.769 30.300 0.080 0.000 0.861 431 R HN 0.533 nan 8.270 nan 0.000 0.440 432 A N 0.665 123.597 122.820 0.186 0.000 1.898 432 A HA -0.173 4.146 4.320 -0.000 0.000 0.216 432 A C 1.955 179.621 177.584 0.138 0.000 1.181 432 A CA 0.998 53.148 52.037 0.190 0.000 0.620 432 A CB -0.574 18.606 19.000 0.299 0.000 0.819 432 A HN 0.342 nan 8.150 nan 0.000 0.442 433 F N 0.675 120.622 119.950 -0.006 0.000 2.146 433 F HA -0.047 4.480 4.527 -0.000 0.000 0.298 433 F C 2.568 178.301 175.800 -0.110 0.000 1.096 433 F CA 1.259 59.131 58.000 -0.214 0.000 1.275 433 F CB -0.169 38.668 39.000 -0.273 0.000 1.008 433 F HN 0.261 nan 8.300 nan 0.000 0.480 434 A N -0.118 122.839 122.820 0.227 0.000 1.902 434 A HA -0.204 4.115 4.320 -0.000 0.000 0.217 434 A C 1.835 179.433 177.584 0.022 0.000 1.181 434 A CA 2.039 54.158 52.037 0.136 0.000 0.623 434 A CB -0.928 18.149 19.000 0.127 0.000 0.818 434 A HN 0.409 nan 8.150 nan 0.000 0.443 435 D N -0.093 120.315 120.400 0.013 0.000 2.269 435 D HA 0.062 4.702 4.640 -0.000 0.000 0.208 435 D C 2.048 178.309 176.300 -0.064 0.000 0.963 435 D CA 1.158 55.148 54.000 -0.017 0.000 0.864 435 D CB -0.264 40.539 40.800 0.005 0.000 0.936 435 D HN 0.442 nan 8.370 nan 0.000 0.505 436 A N 0.431 123.178 122.820 -0.122 0.000 1.929 436 A HA -0.049 4.271 4.320 -0.000 0.000 0.216 436 A C 2.239 179.707 177.584 -0.194 0.000 1.176 436 A CA 0.540 52.466 52.037 -0.185 0.000 0.628 436 A CB -0.610 18.199 19.000 -0.318 0.000 0.816 436 A HN 0.198 nan 8.150 nan 0.000 0.444 437 L N -0.450 120.653 121.223 -0.200 0.000 2.191 437 L HA -0.165 4.175 4.340 -0.000 0.000 0.212 437 L C 1.968 178.778 176.870 -0.101 0.000 1.103 437 L CA 1.122 55.872 54.840 -0.150 0.000 0.769 437 L CB -0.443 41.558 42.059 -0.096 0.000 0.908 437 L HN 0.448 nan 8.230 nan 0.000 0.438 438 E N -0.628 119.520 120.200 -0.086 0.000 2.526 438 E HA -0.124 4.226 4.350 -0.000 0.000 0.198 438 E C 1.876 178.434 176.600 -0.070 0.000 1.091 438 E CA 0.022 56.378 56.400 -0.073 0.000 0.880 438 E CB 0.197 29.859 29.700 -0.062 0.000 0.873 438 E HN 0.261 nan 8.360 nan 0.000 0.527 439 V N 0.642 120.510 119.914 -0.078 0.000 2.871 439 V HA -0.148 3.972 4.120 -0.000 0.000 0.256 439 V C 1.582 177.639 176.094 -0.063 0.000 1.082 439 V CA 0.771 63.029 62.300 -0.070 0.000 1.105 439 V CB -0.075 31.702 31.823 -0.078 0.000 0.713 439 V HN 0.265 nan 8.190 nan 0.000 0.473 440 I N 1.078 121.609 120.570 -0.065 0.000 2.277 440 I HA 0.007 4.177 4.170 -0.000 0.000 0.243 440 I C 0.056 176.142 176.117 -0.052 0.000 1.094 440 I CA 1.213 62.480 61.300 -0.055 0.000 1.393 440 I CB -2.702 35.267 38.000 -0.052 0.000 1.078 440 I HN 0.336 nan 8.210 nan 0.000 0.417 441 P HA -0.120 nan 4.420 nan 0.000 0.217 441 P C 1.884 179.154 177.300 -0.051 0.000 1.150 441 P CA 1.437 64.505 63.100 -0.053 0.000 0.832 441 P CB -0.080 31.583 31.700 -0.062 0.000 0.787 442 R N -0.220 120.249 120.500 -0.051 0.000 2.066 442 R HA -0.084 4.256 4.340 -0.000 0.000 0.232 442 R C 2.113 178.386 176.300 -0.045 0.000 1.131 442 R CA 2.173 58.246 56.100 -0.046 0.000 0.955 442 R CB -0.889 29.384 30.300 -0.045 0.000 0.851 442 R HN 0.226 nan 8.270 nan 0.000 0.432 443 T N -1.393 113.133 114.554 -0.047 0.000 3.035 443 T HA -0.004 4.345 4.350 -0.000 0.000 0.268 443 T C 1.856 176.526 174.700 -0.050 0.000 1.109 443 T CA 0.602 62.674 62.100 -0.046 0.000 1.119 443 T CB -0.105 68.737 68.868 -0.044 0.000 0.900 443 T HN 0.159 nan 8.240 nan 0.000 0.503 444 L N 0.363 121.553 121.223 -0.054 0.000 2.109 444 L HA 0.154 4.493 4.340 -0.000 0.000 0.207 444 L C 3.220 180.046 176.870 -0.073 0.000 1.086 444 L CA 1.091 55.891 54.840 -0.066 0.000 0.760 444 L CB -0.589 41.431 42.059 -0.065 0.000 0.910 444 L HN 0.394 nan 8.230 nan 0.000 0.437 445 A N -0.145 122.638 122.820 -0.061 0.000 1.898 445 A HA -0.159 4.161 4.320 -0.000 0.000 0.214 445 A C 2.106 179.659 177.584 -0.051 0.000 1.183 445 A CA 1.094 53.096 52.037 -0.057 0.000 0.622 445 A CB -0.314 18.658 19.000 -0.046 0.000 0.824 445 A HN 0.373 nan 8.150 nan 0.000 0.444 446 E N 0.370 120.543 120.200 -0.045 0.000 2.049 446 E HA -0.215 4.135 4.350 -0.000 0.000 0.198 446 E C 1.630 178.204 176.600 -0.042 0.000 1.007 446 E CA 1.428 57.804 56.400 -0.039 0.000 0.809 446 E CB -0.254 29.425 29.700 -0.036 0.000 0.749 446 E HN 0.540 nan 8.360 nan 0.000 0.450 447 N N 0.426 119.097 118.700 -0.048 0.000 2.309 447 N HA -0.089 4.650 4.740 -0.000 0.000 0.182 447 N C 1.536 177.011 175.510 -0.058 0.000 1.018 447 N CA 1.049 54.070 53.050 -0.048 0.000 0.876 447 N CB -0.161 38.296 38.487 -0.050 0.000 0.972 447 N HN 0.127 nan 8.380 nan 0.000 0.434 448 A N 0.017 122.793 122.820 -0.074 0.000 2.066 448 A HA 0.281 4.601 4.320 -0.000 0.000 0.218 448 A C 1.793 179.341 177.584 -0.060 0.000 1.157 448 A CA 1.575 53.559 52.037 -0.089 0.000 0.670 448 A CB -0.342 18.589 19.000 -0.116 0.000 0.804 448 A HN 0.361 nan 8.150 nan 0.000 0.453 449 G N -2.316 106.456 108.800 -0.046 0.000 2.232 449 G HA2 -0.178 3.782 3.960 -0.000 0.000 0.226 449 G HA3 -0.178 3.782 3.960 -0.000 0.000 0.226 449 G C 0.160 175.043 174.900 -0.030 0.000 0.996 449 G CA 0.172 45.253 45.100 -0.033 0.000 0.626 449 G HN 0.387 nan 8.290 nan 0.000 0.509 450 L N 1.253 122.454 121.223 -0.036 0.000 2.475 450 L HA 0.497 4.837 4.340 -0.000 0.000 0.250 450 L C 0.742 177.596 176.870 -0.027 0.000 1.224 450 L CA -0.031 54.791 54.840 -0.030 0.000 0.821 450 L CB 0.327 42.365 42.059 -0.035 0.000 1.141 450 L HN 0.154 nan 8.230 nan 0.000 0.494 451 D N 0.010 120.398 120.400 -0.021 0.000 2.344 451 D HA 0.250 4.890 4.640 -0.000 0.000 0.253 451 D C 0.609 176.896 176.300 -0.022 0.000 1.255 451 D CA 0.278 54.267 54.000 -0.019 0.000 0.894 451 D CB 1.410 42.201 40.800 -0.014 0.000 1.067 451 D HN 0.556 nan 8.370 nan 0.000 0.492 452 A N 4.282 127.087 122.820 -0.024 0.000 1.969 452 A HA -0.109 4.211 4.320 -0.000 0.000 0.218 452 A C 2.105 179.674 177.584 -0.025 0.000 1.169 452 A CA 0.881 52.901 52.037 -0.028 0.000 0.635 452 A CB -0.379 18.602 19.000 -0.030 0.000 0.810 452 A HN 0.737 nan 8.150 nan 0.000 0.445 453 I N -0.954 119.603 120.570 -0.021 0.000 2.333 453 I HA -0.140 4.030 4.170 -0.000 0.000 0.246 453 I C 2.423 178.530 176.117 -0.016 0.000 1.106 453 I CA 1.553 62.842 61.300 -0.018 0.000 1.411 453 I CB -0.368 37.623 38.000 -0.015 0.000 1.082 453 I HN 0.320 nan 8.210 nan 0.000 0.420 454 E N 1.975 122.167 120.200 -0.013 0.000 2.047 454 E HA -0.165 4.185 4.350 -0.000 0.000 0.191 454 E C 2.124 178.718 176.600 -0.010 0.000 0.987 454 E CA 1.549 57.944 56.400 -0.010 0.000 0.799 454 E CB -0.228 29.467 29.700 -0.008 0.000 0.752 454 E HN 0.431 nan 8.360 nan 0.000 0.449 455 I N 0.046 120.608 120.570 -0.014 0.000 2.226 455 I HA -0.214 3.956 4.170 -0.000 0.000 0.245 455 I C 2.159 178.267 176.117 -0.016 0.000 1.100 455 I CA 0.559 61.851 61.300 -0.014 0.000 1.374 455 I CB -0.208 37.780 38.000 -0.020 0.000 1.057 455 I HN 0.211 nan 8.210 nan 0.000 0.413 456 L N 0.229 121.438 121.223 -0.023 0.000 2.349 456 L HA -0.145 4.194 4.340 -0.000 0.000 0.220 456 L C 2.080 178.934 176.870 -0.026 0.000 1.130 456 L CA 1.530 56.351 54.840 -0.032 0.000 0.791 456 L CB -0.256 41.783 42.059 -0.034 0.000 0.918 456 L HN -0.006 nan 8.230 nan 0.000 0.444 457 V N -1.476 118.430 119.914 -0.015 0.000 2.599 457 V HA -0.116 4.004 4.120 -0.000 0.000 0.245 457 V C 2.322 178.417 176.094 0.003 0.000 1.046 457 V CA 1.051 63.347 62.300 -0.007 0.000 1.065 457 V CB -0.332 31.488 31.823 -0.004 0.000 0.703 457 V HN 0.366 nan 8.190 nan 0.000 0.464 458 K N -0.097 120.306 120.400 0.005 0.000 2.155 458 K HA -0.055 4.265 4.320 -0.000 0.000 0.203 458 K C 1.977 178.597 176.600 0.033 0.000 1.052 458 K CA 1.029 57.327 56.287 0.017 0.000 0.948 458 K CB -0.097 32.412 32.500 0.014 0.000 0.728 458 K HN 0.318 nan 8.250 nan 0.000 0.448 459 V N 0.874 120.802 119.914 0.024 0.000 2.649 459 V HA -0.102 4.018 4.120 -0.000 0.000 0.248 459 V C 2.249 178.368 176.094 0.042 0.000 1.054 459 V CA 1.162 63.492 62.300 0.049 0.000 1.073 459 V CB -0.323 31.498 31.823 -0.003 0.000 0.699 459 V HN 0.243 nan 8.190 nan 0.000 0.463 460 R N 0.262 120.754 120.500 -0.013 0.000 2.090 460 R HA -0.062 4.278 4.340 -0.000 0.000 0.228 460 R C 2.187 178.516 176.300 0.049 0.000 1.110 460 R CA 1.422 57.507 56.100 -0.024 0.000 0.973 460 R CB -0.261 30.021 30.300 -0.031 0.000 0.869 460 R HN 0.490 nan 8.270 nan 0.000 0.440 461 A N -0.046 122.803 122.820 0.048 0.000 2.067 461 A HA 0.102 4.421 4.320 -0.000 0.000 0.217 461 A C 1.858 179.484 177.584 0.069 0.000 1.156 461 A CA 1.093 53.160 52.037 0.051 0.000 0.683 461 A CB -0.067 18.952 19.000 0.031 0.000 0.808 461 A HN 0.405 nan 8.150 nan 0.000 0.455 462 A N -2.174 120.705 122.820 0.098 0.000 2.278 462 A HA 0.156 4.475 4.320 -0.000 0.000 0.212 462 A C 1.519 179.159 177.584 0.093 0.000 1.213 462 A CA 0.369 52.458 52.037 0.086 0.000 0.840 462 A CB -0.577 18.472 19.000 0.081 0.000 0.866 462 A HN 0.653 nan 8.150 nan 0.000 0.489 463 H N -1.169 117.904 119.070 0.005 0.000 2.855 463 H HA 0.333 4.889 4.556 -0.000 0.000 0.259 463 H C 1.152 176.485 175.328 0.007 0.000 0.972 463 H CA 0.487 56.538 56.048 0.006 0.000 1.213 463 H CB 0.491 30.257 29.762 0.006 0.000 1.451 463 H HN 0.508 nan 8.280 nan 0.000 0.484 464 A N 1.504 124.394 122.820 0.117 0.000 2.445 464 A HA 0.320 4.640 4.320 -0.000 0.000 0.242 464 A C 1.201 178.807 177.584 0.037 0.000 1.075 464 A CA 0.800 52.878 52.037 0.068 0.000 0.777 464 A CB 0.251 19.282 19.000 0.053 0.000 1.013 464 A HN 0.684 nan 8.150 nan 0.000 0.493 465 S N 1.679 117.397 115.700 0.030 0.000 4.158 465 S HA -0.268 4.202 4.470 -0.000 0.000 0.613 465 S C 0.933 175.538 174.600 0.009 0.000 1.866 465 S CA 1.281 59.491 58.200 0.017 0.000 4.250 465 S CB -1.626 61.581 63.200 0.011 0.000 0.202 465 S HN 0.884 nan 8.310 nan 0.000 0.455 466 N N 2.591 121.289 118.700 -0.003 0.000 3.039 466 N HA 0.394 5.134 4.740 -0.000 0.000 0.231 466 N C 0.981 176.467 175.510 -0.039 0.000 1.053 466 N CA 0.846 53.888 53.050 -0.014 0.000 1.191 466 N CB -0.979 37.500 38.487 -0.013 0.000 1.597 466 N HN 0.994 nan 8.380 nan 0.000 0.585 467 G N 0.650 109.422 108.800 -0.048 0.000 2.606 467 G HA2 0.130 4.090 3.960 -0.000 0.000 0.252 467 G HA3 0.130 4.090 3.960 -0.000 0.000 0.252 467 G C 0.534 175.355 174.900 -0.131 0.000 1.206 467 G CA -0.158 44.892 45.100 -0.084 0.000 0.861 467 G HN 0.184 nan 8.290 nan 0.000 0.561 468 N N -0.233 118.319 118.700 -0.246 0.000 2.436 468 N HA -0.004 4.736 4.740 -0.000 0.000 0.178 468 N C 1.645 176.996 175.510 -0.266 0.000 1.026 468 N CA 0.796 53.716 53.050 -0.217 0.000 0.880 468 N CB 0.055 38.434 38.487 -0.181 0.000 1.061 468 N HN 0.813 nan 8.380 nan 0.000 0.434 469 K N -0.870 119.207 120.400 -0.537 0.000 3.459 469 K HA -0.196 4.124 4.320 -0.000 0.000 0.291 469 K C 0.257 176.763 176.600 -0.158 0.000 0.863 469 K CA 1.297 57.382 56.287 -0.336 0.000 1.269 469 K CB -1.730 30.706 32.500 -0.108 0.000 1.300 469 K HN 0.300 nan 8.250 nan 0.000 0.507 470 c N 2.156 120.669 118.600 -0.146 0.000 2.778 470 c HA 0.686 5.255 4.570 -0.000 0.000 0.294 470 c C 0.661 174.745 174.090 -0.009 0.000 1.331 470 c CA 0.295 56.602 56.329 -0.036 0.000 1.741 470 c CB -0.873 41.620 42.510 -0.027 0.000 2.106 470 c HN 0.447 nan 8.230 nan 0.000 0.603 471 A N 0.481 123.281 122.820 -0.033 0.000 2.274 471 A HA 0.772 5.092 4.320 -0.000 0.000 0.309 471 A C 0.324 178.031 177.584 0.205 0.000 1.226 471 A CA 0.390 52.461 52.037 0.056 0.000 0.853 471 A CB 0.362 19.360 19.000 -0.003 0.000 1.146 471 A HN 0.761 nan 8.150 nan 0.000 0.518 472 G N 0.298 109.165 108.800 0.112 0.000 2.645 472 G HA2 0.526 4.485 3.960 -0.000 0.000 0.292 472 G HA3 0.526 4.485 3.960 -0.000 0.000 0.292 472 G C -1.516 173.410 174.900 0.043 0.000 1.415 472 G CA -0.733 44.418 45.100 0.085 0.000 0.785 472 G HN 1.059 nan 8.290 nan 0.000 0.483 473 L N 0.959 122.192 121.223 0.016 0.000 2.360 473 L HA 0.529 4.869 4.340 -0.000 0.000 0.276 473 L C -0.192 176.672 176.870 -0.010 0.000 1.121 473 L CA -0.855 53.983 54.840 -0.003 0.000 0.845 473 L CB 0.796 42.840 42.059 -0.025 0.000 1.143 473 L HN 0.436 nan 8.230 nan 0.000 0.452 474 N N 3.486 122.186 118.700 -0.000 0.000 2.462 474 N HA 0.129 4.869 4.740 -0.000 0.000 0.242 474 N C 0.917 176.392 175.510 -0.059 0.000 1.010 474 N CA -0.132 52.923 53.050 0.008 0.000 0.939 474 N CB 1.221 39.751 38.487 0.072 0.000 1.127 474 N HN 0.552 nan 8.380 nan 0.000 0.509 475 V N 1.782 121.567 119.914 -0.215 0.000 2.867 475 V HA -0.078 4.042 4.120 -0.000 0.000 0.260 475 V C 1.160 177.026 176.094 -0.381 0.000 1.099 475 V CA 1.354 63.440 62.300 -0.356 0.000 1.122 475 V CB -1.083 30.423 31.823 -0.528 0.000 0.708 475 V HN 0.379 nan 8.190 nan 0.000 0.490 476 F N 1.204 121.155 119.950 0.001 0.000 2.317 476 F HA 0.122 4.648 4.527 -0.000 0.000 0.290 476 F C 2.619 178.419 175.800 0.001 0.000 1.075 476 F CA 1.379 59.380 58.000 0.001 0.000 1.380 476 F CB -1.245 37.756 39.000 0.001 0.000 1.093 476 F HN 0.021 nan 8.300 nan 0.000 0.524 477 T N -0.946 113.713 114.554 0.175 0.000 2.812 477 T HA 0.158 4.508 4.350 -0.000 0.000 0.264 477 T C 2.096 176.827 174.700 0.052 0.000 1.042 477 T CA 1.608 63.767 62.100 0.097 0.000 1.140 477 T CB -0.756 68.159 68.868 0.078 0.000 0.870 477 T HN 0.513 nan 8.240 nan 0.000 0.445 478 G N 1.284 110.099 108.800 0.026 0.000 2.399 478 G HA2 -0.096 3.864 3.960 -0.000 0.000 0.216 478 G HA3 -0.096 3.864 3.960 -0.000 0.000 0.216 478 G C 0.351 175.253 174.900 0.004 0.000 1.096 478 G CA 0.052 45.154 45.100 0.004 0.000 0.650 478 G HN 0.936 nan 8.290 nan 0.000 0.512 479 A N -0.003 122.826 122.820 0.015 0.000 2.252 479 A HA 0.796 5.116 4.320 -0.000 0.000 0.305 479 A C 0.566 178.161 177.584 0.018 0.000 1.097 479 A CA 0.447 52.492 52.037 0.014 0.000 0.849 479 A CB 1.409 20.419 19.000 0.017 0.000 1.142 479 A HN 1.705 nan 8.150 nan 0.000 0.499 480 V N 0.577 120.503 119.914 0.020 0.000 2.439 480 V HA 0.338 4.458 4.120 -0.000 0.000 0.271 480 V C 0.078 176.190 176.094 0.030 0.000 1.040 480 V CA 0.352 62.668 62.300 0.027 0.000 1.002 480 V CB 0.153 31.997 31.823 0.034 0.000 1.000 480 V HN 0.944 nan 8.190 nan 0.000 0.477 481 E N 4.005 124.225 120.200 0.033 0.000 2.339 481 E HA 0.347 4.697 4.350 -0.000 0.000 0.262 481 E C -1.091 175.526 176.600 0.028 0.000 0.934 481 E CA -0.883 55.535 56.400 0.030 0.000 0.802 481 E CB 1.518 31.240 29.700 0.037 0.000 1.275 481 E HN 0.792 nan 8.360 nan 0.000 0.427 482 D N 2.377 122.789 120.400 0.019 0.000 2.336 482 D HA 0.051 4.691 4.640 -0.000 0.000 0.249 482 D C 0.843 177.155 176.300 0.019 0.000 1.213 482 D CA -0.026 53.981 54.000 0.011 0.000 0.870 482 D CB 0.800 41.600 40.800 -0.000 0.000 1.076 482 D HN 0.415 nan 8.370 nan 0.000 0.483 483 M N 2.517 122.132 119.600 0.025 0.000 2.394 483 M HA -0.097 4.383 4.480 -0.000 0.000 0.264 483 M C 2.139 178.453 176.300 0.024 0.000 1.073 483 M CA 0.436 55.755 55.300 0.031 0.000 1.111 483 M CB -0.540 32.084 32.600 0.039 0.000 1.401 483 M HN 0.507 nan 8.290 nan 0.000 0.448 484 c N 0.694 119.303 118.600 0.014 0.000 2.466 484 c HA -0.096 4.474 4.570 -0.000 0.000 0.278 484 c C 2.466 176.561 174.090 0.009 0.000 1.288 484 c CA 0.711 57.046 56.329 0.010 0.000 1.722 484 c CB -0.905 41.607 42.510 0.003 0.000 2.017 484 c HN 0.562 nan 8.230 nan 0.000 0.488 485 E N 0.923 121.128 120.200 0.008 0.000 2.347 485 E HA -0.102 4.248 4.350 -0.000 0.000 0.196 485 E C 1.514 178.120 176.600 0.011 0.000 1.008 485 E CA 0.596 57.000 56.400 0.007 0.000 0.852 485 E CB -0.109 29.594 29.700 0.005 0.000 0.783 485 E HN 0.587 nan 8.360 nan 0.000 0.505 486 N N -0.184 118.527 118.700 0.018 0.000 2.250 486 N HA -0.022 4.718 4.740 -0.000 0.000 0.181 486 N C 1.068 176.591 175.510 0.021 0.000 1.017 486 N CA 1.269 54.333 53.050 0.024 0.000 0.866 486 N CB 0.594 39.105 38.487 0.040 0.000 0.985 486 N HN 0.260 nan 8.380 nan 0.000 0.429 487 G N -0.953 107.859 108.800 0.021 0.000 2.155 487 G HA2 -0.179 3.781 3.960 -0.000 0.000 0.135 487 G HA3 -0.179 3.781 3.960 -0.000 0.000 0.135 487 G C -0.683 174.232 174.900 0.025 0.000 1.023 487 G CA -0.160 44.950 45.100 0.018 0.000 0.688 487 G HN 0.121 nan 8.290 nan 0.000 0.499 488 V N 1.459 121.392 119.914 0.032 0.000 2.277 488 V HA 0.653 4.773 4.120 -0.000 0.000 0.269 488 V C 0.488 176.600 176.094 0.029 0.000 1.036 488 V CA -0.212 62.111 62.300 0.038 0.000 0.821 488 V CB 1.056 32.909 31.823 0.051 0.000 1.052 488 V HN 1.090 nan 8.190 nan 0.000 0.462 489 V N 1.866 121.794 119.914 0.024 0.000 2.888 489 V HA 0.791 4.911 4.120 -0.000 0.000 0.309 489 V C -0.868 175.235 176.094 0.016 0.000 1.114 489 V CA -0.867 61.444 62.300 0.018 0.000 0.940 489 V CB 2.242 34.074 31.823 0.014 0.000 1.021 489 V HN 0.692 nan 8.190 nan 0.000 0.426 490 E N 3.289 123.497 120.200 0.014 0.000 2.312 490 E HA 0.635 4.985 4.350 -0.000 0.000 0.267 490 E C -2.947 173.658 176.600 0.008 0.000 0.894 490 E CA -2.148 54.258 56.400 0.011 0.000 0.773 490 E CB 2.729 32.435 29.700 0.010 0.000 1.241 490 E HN 0.576 nan 8.360 nan 0.000 0.432 491 P HA -0.052 nan 4.420 nan 0.000 0.269 491 P C 0.331 177.633 177.300 0.004 0.000 1.215 491 P CA -0.266 62.837 63.100 0.005 0.000 0.780 491 P CB 0.555 32.257 31.700 0.003 0.000 0.898 492 L N 3.225 124.450 121.223 0.004 0.000 2.127 492 L HA -0.125 4.215 4.340 -0.000 0.000 0.211 492 L C 2.196 179.067 176.870 0.003 0.000 1.089 492 L CA 1.784 56.627 54.840 0.003 0.000 0.757 492 L CB -0.777 41.283 42.059 0.002 0.000 0.899 492 L HN 0.304 nan 8.230 nan 0.000 0.434 493 R N -1.284 119.218 120.500 0.002 0.000 2.189 493 R HA -0.090 4.250 4.340 -0.000 0.000 0.223 493 R C 1.970 178.272 176.300 0.003 0.000 1.092 493 R CA 1.226 57.328 56.100 0.002 0.000 0.989 493 R CB -0.065 30.236 30.300 0.002 0.000 0.876 493 R HN 0.368 nan 8.270 nan 0.000 0.457 494 V N 1.113 121.028 119.914 0.003 0.000 2.358 494 V HA -0.226 3.894 4.120 -0.000 0.000 0.246 494 V C 2.162 178.257 176.094 0.001 0.000 1.047 494 V CA 1.636 63.938 62.300 0.002 0.000 1.035 494 V CB -0.264 31.561 31.823 0.002 0.000 0.658 494 V HN 0.238 nan 8.190 nan 0.000 0.452 495 K N 0.501 120.903 120.400 0.003 0.000 2.098 495 K HA -0.037 4.283 4.320 -0.000 0.000 0.203 495 K C 2.355 178.960 176.600 0.008 0.000 1.051 495 K CA 1.710 57.999 56.287 0.003 0.000 0.957 495 K CB -1.038 31.465 32.500 0.005 0.000 0.738 495 K HN 0.681 nan 8.250 nan 0.000 0.447 496 T N -0.476 114.082 114.554 0.007 0.000 2.821 496 T HA -0.172 4.177 4.350 -0.000 0.000 0.267 496 T C 2.113 176.820 174.700 0.012 0.000 1.046 496 T CA 1.257 63.363 62.100 0.009 0.000 1.139 496 T CB -0.077 68.793 68.868 0.004 0.000 0.871 496 T HN 0.038 nan 8.240 nan 0.000 0.454 497 Q N 1.843 121.648 119.800 0.009 0.000 2.046 497 Q HA 0.195 4.535 4.340 -0.000 0.000 0.200 497 Q C 2.493 178.499 176.000 0.010 0.000 0.975 497 Q CA 1.823 57.632 55.803 0.009 0.000 0.836 497 Q CB -0.994 27.748 28.738 0.006 0.000 0.896 497 Q HN 0.633 nan 8.270 nan 0.000 0.428 498 A N 0.174 122.997 122.820 0.005 0.000 1.940 498 A HA -0.159 4.161 4.320 -0.000 0.000 0.219 498 A C 2.105 179.690 177.584 0.002 0.000 1.176 498 A CA 1.604 53.641 52.037 -0.001 0.000 0.631 498 A CB -0.713 18.282 19.000 -0.010 0.000 0.814 498 A HN 0.502 nan 8.150 nan 0.000 0.446 499 I N -1.470 119.110 120.570 0.017 0.000 2.333 499 I HA -0.192 3.978 4.170 -0.000 0.000 0.246 499 I C 2.732 178.896 176.117 0.079 0.000 1.106 499 I CA 1.468 62.796 61.300 0.047 0.000 1.411 499 I CB -0.238 37.811 38.000 0.081 0.000 1.082 499 I HN 0.355 nan 8.210 nan 0.000 0.420 500 Q N 1.229 121.063 119.800 0.056 0.000 2.050 500 Q HA -0.190 4.150 4.340 -0.000 0.000 0.202 500 Q C 2.371 178.402 176.000 0.051 0.000 0.980 500 Q CA 2.586 58.420 55.803 0.053 0.000 0.840 500 Q CB -0.254 28.502 28.738 0.031 0.000 0.898 500 Q HN 0.544 nan 8.270 nan 0.000 0.424 501 S N -0.704 115.017 115.700 0.034 0.000 2.402 501 S HA -0.015 4.455 4.470 -0.000 0.000 0.229 501 S C 2.054 176.673 174.600 0.032 0.000 1.021 501 S CA 0.857 59.075 58.200 0.030 0.000 0.974 501 S CB -0.519 62.692 63.200 0.019 0.000 0.800 501 S HN 0.431 nan 8.310 nan 0.000 0.484 502 A N 1.772 124.606 122.820 0.024 0.000 1.969 502 A HA 0.423 4.743 4.320 -0.000 0.000 0.218 502 A C 2.456 180.068 177.584 0.045 0.000 1.169 502 A CA 1.446 53.489 52.037 0.010 0.000 0.635 502 A CB -1.235 17.741 19.000 -0.040 0.000 0.810 502 A HN 0.817 nan 8.150 nan 0.000 0.445 503 A N -0.297 122.580 122.820 0.095 0.000 1.930 503 A HA -0.060 4.260 4.320 -0.000 0.000 0.215 503 A C 1.907 179.583 177.584 0.153 0.000 1.176 503 A CA 1.395 53.541 52.037 0.182 0.000 0.632 503 A CB -0.357 18.797 19.000 0.256 0.000 0.819 503 A HN 0.585 nan 8.150 nan 0.000 0.445 504 E N 0.225 120.486 120.200 0.101 0.000 2.107 504 E HA -0.116 4.234 4.350 -0.000 0.000 0.191 504 E C 2.359 179.004 176.600 0.076 0.000 0.982 504 E CA 1.260 57.709 56.400 0.082 0.000 0.809 504 E CB -0.085 29.649 29.700 0.057 0.000 0.756 504 E HN 0.783 nan 8.360 nan 0.000 0.459 505 S N 0.503 116.243 115.700 0.067 0.000 2.377 505 S HA -0.128 4.341 4.470 -0.000 0.000 0.223 505 S C 2.297 176.939 174.600 0.069 0.000 1.030 505 S CA 1.408 59.642 58.200 0.057 0.000 0.970 505 S CB -0.675 62.549 63.200 0.040 0.000 0.830 505 S HN 0.313 nan 8.310 nan 0.000 0.473 506 T N -0.024 114.584 114.554 0.091 0.000 2.995 506 T HA 0.104 4.454 4.350 -0.000 0.000 0.269 506 T C 1.536 176.321 174.700 0.142 0.000 1.091 506 T CA 0.980 63.150 62.100 0.115 0.000 1.128 506 T CB -0.535 68.422 68.868 0.149 0.000 0.891 506 T HN 0.530 nan 8.240 nan 0.000 0.492 507 E N 0.498 120.795 120.200 0.161 0.000 2.204 507 E HA -0.019 4.331 4.350 -0.000 0.000 0.194 507 E C 2.021 178.669 176.600 0.079 0.000 0.989 507 E CA 1.095 57.577 56.400 0.137 0.000 0.824 507 E CB -0.221 29.565 29.700 0.144 0.000 0.756 507 E HN 0.614 nan 8.360 nan 0.000 0.477 508 M N 0.246 119.888 119.600 0.070 0.000 2.248 508 M HA -0.051 4.429 4.480 -0.000 0.000 0.265 508 M C 1.875 178.201 176.300 0.045 0.000 1.079 508 M CA 1.053 56.384 55.300 0.052 0.000 1.150 508 M CB 0.186 32.815 32.600 0.048 0.000 1.366 508 M HN 0.060 nan 8.290 nan 0.000 0.433 509 L N 0.709 121.959 121.223 0.046 0.000 2.042 509 L HA -0.229 4.111 4.340 -0.000 0.000 0.210 509 L C 2.374 179.261 176.870 0.028 0.000 1.076 509 L CA 1.280 56.143 54.840 0.038 0.000 0.749 509 L CB -0.768 41.313 42.059 0.036 0.000 0.893 509 L HN 0.391 nan 8.230 nan 0.000 0.432 510 L N -0.716 120.522 121.223 0.024 0.000 2.187 510 L HA -0.199 4.141 4.340 -0.000 0.000 0.213 510 L C 2.616 179.486 176.870 -0.000 0.000 1.100 510 L CA 1.082 55.920 54.840 -0.002 0.000 0.765 510 L CB -0.459 41.583 42.059 -0.030 0.000 0.904 510 L HN 0.219 nan 8.230 nan 0.000 0.437 511 R N -0.152 120.358 120.500 0.018 0.000 2.280 511 R HA 0.075 4.415 4.340 -0.000 0.000 0.207 511 R C 0.490 176.803 176.300 0.023 0.000 1.043 511 R CA 0.294 56.408 56.100 0.024 0.000 1.006 511 R CB -0.152 30.168 30.300 0.033 0.000 0.885 511 R HN 0.299 nan 8.270 nan 0.000 0.467 512 I N 2.129 122.712 120.570 0.023 0.000 2.441 512 I HA -0.051 4.119 4.170 -0.000 0.000 0.287 512 I C 0.919 177.048 176.117 0.020 0.000 1.049 512 I CA 0.178 61.494 61.300 0.027 0.000 1.381 512 I CB 0.961 38.984 38.000 0.039 0.000 1.409 512 I HN 0.115 nan 8.210 nan 0.000 0.523 513 D N 3.629 124.041 120.400 0.021 0.000 2.510 513 D HA 0.068 4.708 4.640 -0.000 0.000 0.234 513 D C -0.091 176.227 176.300 0.030 0.000 1.178 513 D CA 0.047 54.055 54.000 0.014 0.000 0.816 513 D CB 0.730 41.528 40.800 -0.004 0.000 1.143 513 D HN 0.423 nan 8.370 nan 0.000 0.526 514 D N 0.420 120.843 120.400 0.038 0.000 2.934 514 D HA 0.369 5.009 4.640 -0.000 0.000 0.230 514 D C -1.322 175.009 176.300 0.052 0.000 1.204 514 D CA -0.449 53.576 54.000 0.041 0.000 0.873 514 D CB 3.036 43.848 40.800 0.020 0.000 1.645 514 D HN -0.191 nan 8.370 nan 0.000 0.502 515 V N 3.889 123.842 119.914 0.065 0.000 2.656 515 V HA 0.547 4.667 4.120 -0.000 0.000 0.307 515 V C 0.030 176.111 176.094 -0.021 0.000 1.051 515 V CA -0.699 61.638 62.300 0.062 0.000 0.893 515 V CB 2.079 34.007 31.823 0.175 0.000 0.999 515 V HN 0.463 nan 8.190 nan 0.000 0.426 516 I N 3.668 124.221 120.570 -0.029 0.000 2.466 516 I HA 0.648 4.818 4.170 -0.000 0.000 0.279 516 I C 0.123 176.202 176.117 -0.062 0.000 1.033 516 I CA -0.396 60.864 61.300 -0.068 0.000 1.123 516 I CB 1.548 39.521 38.000 -0.045 0.000 1.237 516 I HN 0.697 nan 8.210 nan 0.000 0.460 517 A N 5.021 127.782 122.820 -0.098 0.000 2.288 517 A HA 0.897 5.217 4.320 -0.000 0.000 0.320 517 A C 0.028 177.570 177.584 -0.070 0.000 1.217 517 A CA -0.332 51.662 52.037 -0.071 0.000 0.840 517 A CB 0.989 19.951 19.000 -0.063 0.000 1.179 517 A HN 0.717 nan 8.150 nan 0.000 0.504 518 A N 1.733 124.525 122.820 -0.046 0.000 2.247 518 A HA 0.786 5.105 4.320 -0.000 0.000 0.313 518 A C 0.470 178.035 177.584 -0.031 0.000 1.109 518 A CA 0.159 52.172 52.037 -0.039 0.000 0.890 518 A CB 0.130 19.113 19.000 -0.029 0.000 1.239 518 A HN 1.228 nan 8.150 nan 0.000 0.506 519 E N 0.000 120.184 120.200 -0.026 0.000 2.725 519 E HA 0.000 4.350 4.350 -0.000 0.000 0.291 519 E CA 0.000 56.388 56.400 -0.019 0.000 0.976 519 E CB 0.000 29.691 29.700 -0.015 0.000 0.812 519 E HN 0.000 nan 8.360 nan 0.000 0.440