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 3a23_1_A DATA FIRST_RESID 45 DATA SEQUENCE AVTTRQITVP SAPMGWASWN SFAAKIDYSV IKKQVDAFVA AGLPAAGYTY DATA SEQUENCE INIDEGWWQG TRDSAGNITV DTAEWPGGMS AITAYIHSKG LKAGIYTDAG DATA SEQUENCE KDGcGYYYPT GRPAAPGSGS EGHYDQDMLQ FSTWGFDFVK VDWcGGDAEG DATA SEQUENCE LDAATTYKSI SDAVGRAAAT TGRPLTLSIC NWGYQNPWNW AAGQAPLWRT DATA SEQUENCE STDIIYYGNQ PSMTSLLSNF DQTLHPTAQH TGYYNDPDML MVGMDGFTAA DATA SEQUENCE QNRTHMNLWA ISGAPLLAGN DLTTMTSETA GILKNPEVIA VDQDSRGLQG DATA SEQUENCE VKVAEDTTGL QAYGKVLSGT GNRAVVLLNR TSAAHDITVR WSDLGLTNAS DATA SEQUENCE ATVRDLWARQ NVGTSATGYT ASVPAGGSVM LTVTGGTEAA GGAYAATSTG DATA SEQUENCE RYTGVTAAST GLNVVDVAYT NNTSSARTAT LQVNGQTATT VSFPPTGASA DATA SEQUENCE GTVSVEVSLS KGSANTLALS GGPATEGITV RPLPGTNGAL VTGKQSGRcA DATA SEQUENCE DIYNNTITNG TQAELWDcNG GPNQSWTYTS RKELVLYGNK cLDAYNLGTT DATA SEQUENCE NGTKVVIWDc NGQANQKWNI NSDGTITNVN AGLcLDAYNA ATANGTSLVL DATA SEQUENCE WScGTGDNQK WTVT 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 45 A HA 0.000 nan 4.320 nan 0.000 0.244 45 A C 0.000 177.580 177.584 -0.006 0.000 1.274 45 A CA 0.000 52.034 52.037 -0.006 0.000 0.836 45 A CB 0.000 18.997 19.000 -0.005 0.000 0.831 46 V N 2.204 122.114 119.914 -0.007 0.000 2.389 46 V HA 0.443 4.561 4.120 -0.003 0.000 0.264 46 V C 1.265 177.356 176.094 -0.006 0.000 1.049 46 V CA 0.981 63.277 62.300 -0.007 0.000 0.932 46 V CB 0.245 32.063 31.823 -0.009 0.000 1.011 46 V HN 1.316 nan 8.190 nan 0.000 0.475 47 T N -0.111 114.440 114.554 -0.005 0.000 2.954 47 T HA 0.141 4.489 4.350 -0.003 0.000 0.252 47 T C 0.653 175.349 174.700 -0.006 0.000 0.983 47 T CA 0.024 62.121 62.100 -0.005 0.000 0.941 47 T CB 0.511 69.377 68.868 -0.003 0.000 1.141 47 T HN 0.507 nan 8.240 nan 0.000 0.500 48 T N 3.302 117.854 114.554 -0.004 0.000 2.824 48 T HA 0.547 4.895 4.350 -0.003 0.000 0.282 48 T C -0.345 174.350 174.700 -0.008 0.000 0.993 48 T CA -0.918 61.177 62.100 -0.009 0.000 0.967 48 T CB 1.974 70.841 68.868 -0.002 0.000 0.960 48 T HN 0.530 nan 8.240 nan 0.000 0.441 49 R N 2.789 123.279 120.500 -0.017 0.000 2.543 49 R HA 0.296 4.635 4.340 -0.003 0.000 0.277 49 R C -0.511 175.788 176.300 -0.002 0.000 1.074 49 R CA -0.515 55.578 56.100 -0.012 0.000 1.076 49 R CB 0.531 30.821 30.300 -0.017 0.000 0.993 49 R HN 0.540 nan 8.270 nan 0.000 0.459 50 Q N 2.705 122.510 119.800 0.008 0.000 2.288 50 Q HA 0.207 4.545 4.340 -0.003 0.000 0.258 50 Q C -0.271 175.746 176.000 0.028 0.000 0.957 50 Q CA -0.457 55.360 55.803 0.024 0.000 0.919 50 Q CB 1.182 29.930 28.738 0.018 0.000 1.185 50 Q HN 0.450 nan 8.270 nan 0.000 0.408 51 I N 2.737 123.342 120.570 0.057 0.000 2.416 51 I HA 0.072 4.240 4.170 -0.003 0.000 0.288 51 I C 0.603 176.755 176.117 0.057 0.000 1.051 51 I CA -0.038 61.304 61.300 0.069 0.000 1.375 51 I CB 0.902 38.989 38.000 0.146 0.000 1.407 51 I HN 0.544 nan 8.210 nan 0.000 0.516 52 T N 6.637 121.215 114.554 0.041 0.000 2.888 52 T HA 0.307 4.655 4.350 -0.003 0.000 0.301 52 T C 0.345 175.062 174.700 0.029 0.000 1.001 52 T CA -0.298 61.820 62.100 0.030 0.000 1.147 52 T CB 0.769 69.651 68.868 0.023 0.000 0.931 52 T HN 0.499 nan 8.240 nan 0.000 0.541 53 V N 2.168 122.092 119.914 0.017 0.000 2.850 53 V HA 0.709 4.827 4.120 -0.003 0.000 0.315 53 V C -2.695 173.414 176.094 0.024 0.000 1.064 53 V CA -3.009 59.287 62.300 -0.005 0.000 0.979 53 V CB 0.862 32.651 31.823 -0.057 0.000 1.039 53 V HN 0.534 nan 8.190 nan 0.000 0.452 54 P HA 0.249 nan 4.420 nan 0.000 0.266 54 P C -0.220 177.179 177.300 0.164 0.000 1.195 54 P CA 0.388 63.528 63.100 0.067 0.000 0.768 54 P CB 0.424 32.152 31.700 0.048 0.000 0.838 55 S N 0.969 116.727 115.700 0.097 0.000 2.652 55 S HA 0.553 5.021 4.470 -0.003 0.000 0.270 55 S C 0.231 174.710 174.600 -0.202 0.000 1.243 55 S CA -0.597 57.595 58.200 -0.013 0.000 0.999 55 S CB 0.769 63.931 63.200 -0.062 0.000 0.973 55 S HN 0.588 nan 8.310 nan 0.000 0.544 56 A N 2.067 124.439 122.820 -0.747 0.000 2.425 56 A HA 0.462 4.781 4.320 -0.003 0.000 0.242 56 A C -2.468 174.994 177.584 -0.203 0.000 1.077 56 A CA -1.160 50.470 52.037 -0.679 0.000 0.781 56 A CB -0.797 17.645 19.000 -0.929 0.000 1.020 56 A HN 0.477 nan 8.150 nan 0.000 0.494 57 P HA 0.173 nan 4.420 nan 0.000 0.266 57 P C -0.547 176.807 177.300 0.090 0.000 1.195 57 P CA 0.715 63.885 63.100 0.116 0.000 0.768 57 P CB 0.359 32.064 31.700 0.009 0.000 0.838 58 M N 1.898 121.610 119.600 0.187 0.000 2.465 58 M HA 0.695 5.173 4.480 -0.003 0.000 0.316 58 M C 0.480 177.008 176.300 0.380 0.000 1.121 58 M CA -0.022 55.347 55.300 0.113 0.000 0.934 58 M CB 2.657 35.114 32.600 -0.239 0.000 1.692 58 M HN 0.582 nan 8.290 nan 0.000 0.444 59 G N 1.322 110.461 108.800 0.563 0.000 2.441 59 G HA2 0.320 4.278 3.960 -0.003 0.000 0.225 59 G HA3 0.320 4.278 3.960 -0.003 0.000 0.225 59 G C -2.936 172.374 174.900 0.683 0.000 1.200 59 G CA -0.687 44.829 45.100 0.692 0.000 0.947 59 G HN 0.766 nan 8.290 nan 0.000 0.484 60 W N 0.611 122.108 121.300 0.329 0.000 3.127 60 W HA 0.792 5.450 4.660 -0.003 0.000 0.330 60 W C -0.687 175.892 176.519 0.100 0.000 1.187 60 W CA -0.118 57.360 57.345 0.222 0.000 1.198 60 W CB 1.874 31.525 29.460 0.318 0.000 1.408 60 W HN 1.216 nan 8.180 nan 0.000 0.529 61 A N 2.136 124.423 122.820 -0.888 0.000 2.475 61 A HA 0.513 4.832 4.320 -0.003 0.000 0.301 61 A C 0.333 177.089 177.584 -1.380 0.000 1.059 61 A CA -0.035 51.478 52.037 -0.873 0.000 0.710 61 A CB 1.556 20.342 19.000 -0.358 0.000 1.288 61 A HN 1.052 nan 8.150 nan 0.000 0.408 62 S N 0.350 115.545 115.700 -0.841 0.000 2.527 62 S HA -0.093 4.375 4.470 -0.003 0.000 0.222 62 S C 1.390 176.008 174.600 0.030 0.000 0.985 62 S CA 0.713 58.669 58.200 -0.407 0.000 0.921 62 S CB -0.337 62.886 63.200 0.039 0.000 0.772 62 S HN 0.846 nan 8.310 nan 0.000 0.529 63 W N 2.880 124.065 121.300 -0.191 0.000 2.378 63 W HA -0.134 4.525 4.660 -0.003 0.000 0.313 63 W C 1.375 177.856 176.519 -0.063 0.000 1.197 63 W CA 1.339 58.627 57.345 -0.096 0.000 1.304 63 W CB -0.540 28.838 29.460 -0.137 0.000 1.148 63 W HN 0.313 nan 8.180 nan 0.000 0.494 64 N N 0.292 118.891 118.700 -0.168 0.000 2.149 64 N HA -0.148 4.590 4.740 -0.003 0.000 0.188 64 N C 1.758 177.069 175.510 -0.331 0.000 1.019 64 N CA 2.137 55.034 53.050 -0.254 0.000 0.857 64 N CB -0.752 37.656 38.487 -0.133 0.000 0.997 64 N HN -0.003 nan 8.380 nan 0.000 0.426 65 S N -1.237 114.284 115.700 -0.299 0.000 2.492 65 S HA 0.239 4.708 4.470 -0.003 0.000 0.218 65 S C 0.780 174.946 174.600 -0.724 0.000 1.016 65 S CA 0.016 57.916 58.200 -0.500 0.000 0.916 65 S CB 0.291 63.158 63.200 -0.557 0.000 0.791 65 S HN 0.240 nan 8.310 nan 0.000 0.513 66 F N 1.083 120.948 119.950 -0.141 0.000 2.746 66 F HA 0.556 5.082 4.527 -0.003 0.000 0.313 66 F C 1.334 177.016 175.800 -0.196 0.000 1.095 66 F CA -0.003 57.944 58.000 -0.088 0.000 1.224 66 F CB -0.286 38.736 39.000 0.037 0.000 1.060 66 F HN 0.124 nan 8.300 nan 0.000 0.584 67 A N 1.516 124.085 122.820 -0.418 0.000 5.578 67 A HA -0.293 4.025 4.320 -0.003 0.000 0.312 67 A C 1.824 179.294 177.584 -0.191 0.000 1.861 67 A CA 1.554 53.017 52.037 -0.956 0.000 0.719 67 A CB -1.732 16.881 19.000 -0.645 0.000 1.323 67 A HN 0.738 nan 8.150 nan 0.000 0.387 68 A N -0.824 122.004 122.820 0.012 0.000 2.238 68 A HA 0.271 4.589 4.320 -0.003 0.000 0.208 68 A C 1.028 178.720 177.584 0.180 0.000 1.177 68 A CA 1.295 53.467 52.037 0.226 0.000 0.804 68 A CB -0.415 18.713 19.000 0.214 0.000 0.823 68 A HN 0.527 nan 8.150 nan 0.000 0.482 69 K N 1.437 121.924 120.400 0.145 0.000 2.480 69 K HA 0.312 4.631 4.320 -0.003 0.000 0.241 69 K C -0.557 176.131 176.600 0.147 0.000 1.261 69 K CA 0.107 56.483 56.287 0.148 0.000 1.193 69 K CB -0.708 31.883 32.500 0.152 0.000 1.598 69 K HN 0.716 nan 8.250 nan 0.000 0.278 70 I N -1.886 118.773 120.570 0.148 0.000 2.785 70 I HA 0.567 4.735 4.170 -0.003 0.000 0.302 70 I C -0.917 175.208 176.117 0.012 0.000 1.069 70 I CA -1.033 60.323 61.300 0.094 0.000 1.045 70 I CB 2.172 40.325 38.000 0.255 0.000 1.236 70 I HN 0.089 nan 8.210 nan 0.000 0.429 71 D N 2.225 122.451 120.400 -0.290 0.000 2.768 71 D HA 0.144 4.782 4.640 -0.003 0.000 0.327 71 D C 0.303 175.983 176.300 -1.032 0.000 1.302 71 D CA -0.716 52.720 54.000 -0.940 0.000 0.897 71 D CB 0.447 40.876 40.800 -0.618 0.000 1.420 71 D HN 0.603 nan 8.370 nan 0.000 0.494 72 Y N 0.919 120.400 120.300 -1.366 0.000 2.102 72 Y HA -0.271 4.277 4.550 -0.003 0.000 0.280 72 Y C 2.445 178.138 175.900 -0.345 0.000 1.178 72 Y CA 3.593 61.357 58.100 -0.560 0.000 1.146 72 Y CB -0.407 37.866 38.460 -0.311 0.000 0.968 72 Y HN 0.471 nan 8.280 nan 0.000 0.504 73 S N -1.145 114.472 115.700 -0.138 0.000 2.368 73 S HA -0.181 4.288 4.470 -0.003 0.000 0.225 73 S C 2.012 176.463 174.600 -0.248 0.000 1.030 73 S CA 1.486 59.600 58.200 -0.142 0.000 0.999 73 S CB -1.236 61.908 63.200 -0.094 0.000 0.844 73 S HN 0.257 nan 8.310 nan 0.000 0.459 74 V N 2.479 122.224 119.914 -0.282 0.000 2.287 74 V HA -0.145 3.973 4.120 -0.003 0.000 0.248 74 V C 2.615 178.495 176.094 -0.355 0.000 1.053 74 V CA 1.712 63.798 62.300 -0.356 0.000 1.027 74 V CB -0.753 30.803 31.823 -0.445 0.000 0.646 74 V HN 0.470 nan 8.190 nan 0.000 0.447 75 I N 0.107 120.515 120.570 -0.270 0.000 2.202 75 I HA -0.221 3.947 4.170 -0.003 0.000 0.242 75 I C 2.434 178.364 176.117 -0.313 0.000 1.091 75 I CA 1.737 62.925 61.300 -0.186 0.000 1.368 75 I CB -1.325 36.678 38.000 0.005 0.000 1.058 75 I HN 0.392 nan 8.210 nan 0.000 0.410 76 K N 1.606 121.720 120.400 -0.476 0.000 2.044 76 K HA -0.230 4.088 4.320 -0.003 0.000 0.210 76 K C 2.121 178.544 176.600 -0.294 0.000 1.049 76 K CA 1.785 57.752 56.287 -0.533 0.000 0.927 76 K CB 0.004 32.034 32.500 -0.782 0.000 0.713 76 K HN 0.231 nan 8.250 nan 0.000 0.443 77 K N -0.086 120.155 120.400 -0.264 0.000 2.097 77 K HA -0.131 4.187 4.320 -0.003 0.000 0.206 77 K C 2.350 178.828 176.600 -0.202 0.000 1.049 77 K CA 1.285 57.462 56.287 -0.183 0.000 0.933 77 K CB 0.026 32.436 32.500 -0.151 0.000 0.717 77 K HN 0.213 nan 8.250 nan 0.000 0.442 78 Q N 0.375 119.981 119.800 -0.324 0.000 2.119 78 Q HA -0.091 4.247 4.340 -0.003 0.000 0.201 78 Q C 2.307 178.061 176.000 -0.409 0.000 0.972 78 Q CA 1.010 56.508 55.803 -0.508 0.000 0.847 78 Q CB -0.317 27.793 28.738 -1.046 0.000 0.903 78 Q HN 0.138 nan 8.270 nan 0.000 0.433 79 V N 2.058 121.792 119.914 -0.301 0.000 2.287 79 V HA -0.252 3.866 4.120 -0.003 0.000 0.248 79 V C 1.764 177.842 176.094 -0.026 0.000 1.053 79 V CA 2.089 64.285 62.300 -0.173 0.000 1.027 79 V CB -0.543 31.256 31.823 -0.039 0.000 0.646 79 V HN 0.251 nan 8.190 nan 0.000 0.447 80 D N 0.306 120.707 120.400 0.001 0.000 2.117 80 D HA -0.120 4.518 4.640 -0.003 0.000 0.197 80 D C 2.201 178.506 176.300 0.008 0.000 0.987 80 D CA 1.687 55.706 54.000 0.032 0.000 0.829 80 D CB -0.324 40.495 40.800 0.032 0.000 0.961 80 D HN 0.456 nan 8.370 nan 0.000 0.460 81 A N 0.255 123.054 122.820 -0.035 0.000 1.930 81 A HA -0.127 4.191 4.320 -0.003 0.000 0.217 81 A C 2.087 179.658 177.584 -0.022 0.000 1.175 81 A CA 0.727 52.737 52.037 -0.045 0.000 0.627 81 A CB -0.950 17.998 19.000 -0.087 0.000 0.815 81 A HN 0.208 nan 8.150 nan 0.000 0.443 82 F N 0.857 120.686 119.950 -0.200 0.000 2.065 82 F HA -0.230 4.295 4.527 -0.003 0.000 0.298 82 F C 2.286 178.025 175.800 -0.102 0.000 1.112 82 F CA 2.263 60.156 58.000 -0.178 0.000 1.212 82 F CB -0.360 38.520 39.000 -0.200 0.000 0.975 82 F HN 0.045 nan 8.300 nan 0.000 0.476 83 V N 0.297 120.358 119.914 0.245 0.000 2.295 83 V HA -0.301 3.817 4.120 -0.003 0.000 0.246 83 V C 2.704 178.815 176.094 0.029 0.000 1.049 83 V CA 1.846 64.228 62.300 0.135 0.000 1.024 83 V CB -1.546 30.331 31.823 0.091 0.000 0.648 83 V HN 0.491 nan 8.190 nan 0.000 0.447 84 A N -0.088 122.738 122.820 0.009 0.000 1.972 84 A HA -0.063 4.256 4.320 -0.003 0.000 0.219 84 A C 2.242 179.802 177.584 -0.039 0.000 1.169 84 A CA 1.863 53.891 52.037 -0.015 0.000 0.635 84 A CB -0.603 18.388 19.000 -0.016 0.000 0.810 84 A HN 0.601 nan 8.150 nan 0.000 0.446 85 A N -1.745 121.032 122.820 -0.071 0.000 2.235 85 A HA 0.398 4.717 4.320 -0.003 0.000 0.208 85 A C 1.803 179.319 177.584 -0.113 0.000 1.172 85 A CA 1.194 53.169 52.037 -0.104 0.000 0.786 85 A CB -0.990 17.918 19.000 -0.154 0.000 0.804 85 A HN 1.890 nan 8.150 nan 0.000 0.479 86 G N -0.781 107.962 108.800 -0.095 0.000 2.160 86 G HA2 -0.289 3.669 3.960 -0.003 0.000 0.251 86 G HA3 -0.289 3.669 3.960 -0.003 0.000 0.251 86 G C 0.793 175.627 174.900 -0.110 0.000 1.008 86 G CA 0.504 45.560 45.100 -0.073 0.000 0.724 86 G HN 0.433 nan 8.290 nan 0.000 0.514 87 L N -0.370 120.695 121.223 -0.264 0.000 2.079 87 L HA -0.073 4.265 4.340 -0.003 0.000 0.210 87 L C 0.473 177.286 176.870 -0.096 0.000 1.081 87 L CA 2.000 56.611 54.840 -0.382 0.000 0.752 87 L CB -1.292 40.063 42.059 -1.172 0.000 0.896 87 L HN 0.222 nan 8.230 nan 0.000 0.433 88 P HA -0.171 nan 4.420 nan 0.000 0.216 88 P C 1.482 178.832 177.300 0.083 0.000 1.150 88 P CA 1.752 64.945 63.100 0.155 0.000 0.837 88 P CB 0.007 31.815 31.700 0.179 0.000 0.786 89 A N -0.142 122.703 122.820 0.041 0.000 2.015 89 A HA -0.022 4.297 4.320 -0.003 0.000 0.219 89 A C 2.198 179.793 177.584 0.020 0.000 1.163 89 A CA 1.722 53.773 52.037 0.022 0.000 0.646 89 A CB -1.430 17.574 19.000 0.008 0.000 0.806 89 A HN 0.205 nan 8.150 nan 0.000 0.448 90 A N -2.104 120.743 122.820 0.046 0.000 2.167 90 A HA 0.403 4.721 4.320 -0.003 0.000 0.214 90 A C 1.762 179.327 177.584 -0.032 0.000 1.151 90 A CA 1.409 53.472 52.037 0.044 0.000 0.735 90 A CB -0.553 18.531 19.000 0.140 0.000 0.802 90 A HN 1.731 nan 8.150 nan 0.000 0.467 91 G N -2.822 105.968 108.800 -0.016 0.000 2.229 91 G HA2 -0.197 3.761 3.960 -0.003 0.000 0.189 91 G HA3 -0.197 3.761 3.960 -0.003 0.000 0.189 91 G C -0.054 174.787 174.900 -0.099 0.000 1.000 91 G CA -0.157 44.888 45.100 -0.092 0.000 0.663 91 G HN 0.325 nan 8.290 nan 0.000 0.493 92 Y N 2.090 122.420 120.300 0.050 0.000 2.544 92 Y HA 0.372 4.920 4.550 -0.003 0.000 0.330 92 Y C 1.968 178.071 175.900 0.338 0.000 1.136 92 Y CA 1.278 59.485 58.100 0.178 0.000 1.417 92 Y CB 1.199 39.668 38.460 0.014 0.000 1.229 92 Y HN 0.246 nan 8.280 nan 0.000 0.532 93 T N -1.439 113.334 114.554 0.365 0.000 3.057 93 T HA 0.181 4.529 4.350 -0.003 0.000 0.254 93 T C -0.269 174.378 174.700 -0.090 0.000 0.965 93 T CA -0.095 62.043 62.100 0.062 0.000 0.978 93 T CB -0.175 68.570 68.868 -0.205 0.000 1.169 93 T HN 0.257 nan 8.240 nan 0.000 0.489 94 Y N 1.797 122.167 120.300 0.117 0.000 2.308 94 Y HA 0.607 5.155 4.550 -0.003 0.000 0.329 94 Y C 0.171 176.033 175.900 -0.062 0.000 1.111 94 Y CA -1.682 56.407 58.100 -0.018 0.000 1.179 94 Y CB 0.825 39.189 38.460 -0.159 0.000 1.201 94 Y HN 0.106 nan 8.280 nan 0.000 0.483 95 I N 4.440 125.043 120.570 0.055 0.000 2.359 95 I HA 0.217 4.385 4.170 -0.003 0.000 0.284 95 I C -0.881 175.314 176.117 0.130 0.000 1.018 95 I CA -0.881 60.469 61.300 0.083 0.000 1.173 95 I CB 0.753 38.719 38.000 -0.057 0.000 1.326 95 I HN 0.608 nan 8.210 nan 0.000 0.462 96 N N 7.236 125.988 118.700 0.085 0.000 2.424 96 N HA 0.467 5.205 4.740 -0.003 0.000 0.271 96 N C -0.293 175.216 175.510 -0.003 0.000 0.985 96 N CA -0.371 52.651 53.050 -0.048 0.000 0.921 96 N CB 2.208 40.527 38.487 -0.279 0.000 1.149 96 N HN 0.437 nan 8.380 nan 0.000 0.492 97 I N 1.386 121.966 120.570 0.016 0.000 2.337 97 I HA 0.105 4.273 4.170 -0.003 0.000 0.291 97 I C 1.092 177.231 176.117 0.035 0.000 1.046 97 I CA -0.178 61.144 61.300 0.035 0.000 1.324 97 I CB 0.578 38.537 38.000 -0.068 0.000 1.409 97 I HN 0.386 nan 8.210 nan 0.000 0.494 98 D N 5.247 125.698 120.400 0.084 0.000 2.446 98 D HA 0.094 4.733 4.640 -0.003 0.000 0.288 98 D C 0.079 176.356 176.300 -0.038 0.000 1.195 98 D CA -0.442 53.534 54.000 -0.041 0.000 1.095 98 D CB 0.761 41.534 40.800 -0.045 0.000 1.153 98 D HN 0.494 nan 8.370 nan 0.000 0.568 99 E N -1.295 118.581 120.200 -0.541 0.000 2.413 99 E HA 0.229 4.577 4.350 -0.003 0.000 0.263 99 E C 0.126 176.863 176.600 0.228 0.000 1.015 99 E CA 0.718 56.953 56.400 -0.276 0.000 0.916 99 E CB 0.423 29.834 29.700 -0.482 0.000 0.947 99 E HN 0.652 nan 8.360 nan 0.000 0.440 100 G N 4.454 113.401 108.800 0.246 0.000 2.260 100 G HA2 -0.182 3.776 3.960 -0.003 0.000 0.179 100 G HA3 -0.182 3.776 3.960 -0.003 0.000 0.179 100 G C 0.516 175.646 174.900 0.384 0.000 1.002 100 G CA 0.169 45.435 45.100 0.277 0.000 0.677 100 G HN 0.706 nan 8.290 nan 0.000 0.486 101 W N -0.648 120.864 121.300 0.354 0.000 2.770 101 W HA 0.529 5.187 4.660 -0.003 0.000 0.256 101 W C 0.225 176.944 176.519 0.333 0.000 1.291 101 W CA 0.455 58.010 57.345 0.350 0.000 1.396 101 W CB -0.132 29.239 29.460 -0.148 0.000 1.114 101 W HN 0.289 nan 8.180 nan 0.000 0.637 102 W N 3.318 124.159 121.300 -0.765 0.000 2.900 102 W HA 0.344 5.003 4.660 -0.003 0.000 0.336 102 W C 0.298 176.595 176.519 -0.371 0.000 1.064 102 W CA -1.460 55.394 57.345 -0.819 0.000 1.237 102 W CB 1.196 29.591 29.460 -1.775 0.000 1.391 102 W HN -0.278 nan 8.180 nan 0.000 0.468 103 Q N 3.775 123.392 119.800 -0.305 0.000 2.222 103 Q HA 0.275 4.613 4.340 -0.003 0.000 0.206 103 Q C 1.351 176.985 176.000 -0.610 0.000 0.877 103 Q CA 0.599 56.189 55.803 -0.355 0.000 0.958 103 Q CB 0.617 29.294 28.738 -0.102 0.000 1.075 103 Q HN 1.052 nan 8.270 nan 0.000 0.483 104 G N 0.996 108.961 108.800 -1.392 0.000 2.176 104 G HA2 -0.276 3.683 3.960 -0.003 0.000 0.232 104 G HA3 -0.276 3.683 3.960 -0.003 0.000 0.232 104 G C 0.437 175.125 174.900 -0.354 0.000 0.986 104 G CA 0.352 44.719 45.100 -1.222 0.000 0.643 104 G HN 0.434 nan 8.290 nan 0.000 0.522 105 T N -0.853 113.700 114.554 -0.000 0.000 2.919 105 T HA 0.688 5.037 4.350 -0.003 0.000 0.302 105 T C 0.204 175.142 174.700 0.396 0.000 1.031 105 T CA -0.071 62.153 62.100 0.206 0.000 1.127 105 T CB 1.988 70.965 68.868 0.182 0.000 0.952 105 T HN 0.564 nan 8.240 nan 0.000 0.540 106 R N 1.371 121.994 120.500 0.205 0.000 2.771 106 R HA 0.450 4.788 4.340 -0.003 0.000 0.274 106 R C -0.675 175.679 176.300 0.089 0.000 0.987 106 R CA -1.016 55.167 56.100 0.139 0.000 0.908 106 R CB 1.499 31.833 30.300 0.057 0.000 1.213 106 R HN 0.889 nan 8.270 nan 0.000 0.468 107 D N -0.105 120.337 120.400 0.070 0.000 2.414 107 D HA -0.022 4.616 4.640 -0.003 0.000 0.259 107 D C 0.890 177.215 176.300 0.041 0.000 1.269 107 D CA -0.378 53.656 54.000 0.057 0.000 1.028 107 D CB 0.412 41.247 40.800 0.058 0.000 1.093 107 D HN 0.420 nan 8.370 nan 0.000 0.545 108 S N -1.453 114.269 115.700 0.037 0.000 2.447 108 S HA -0.059 4.410 4.470 -0.003 0.000 0.233 108 S C 1.706 176.325 174.600 0.031 0.000 1.006 108 S CA 0.527 58.746 58.200 0.031 0.000 0.957 108 S CB -0.658 62.557 63.200 0.026 0.000 0.773 108 S HN 0.665 nan 8.310 nan 0.000 0.507 109 A N 0.508 123.345 122.820 0.028 0.000 2.275 109 A HA 0.612 4.930 4.320 -0.003 0.000 0.212 109 A C 1.679 179.285 177.584 0.038 0.000 1.201 109 A CA 0.360 52.412 52.037 0.026 0.000 0.843 109 A CB -0.984 18.024 19.000 0.013 0.000 0.873 109 A HN 1.446 nan 8.150 nan 0.000 0.492 110 G N -0.252 108.570 108.800 0.037 0.000 2.159 110 G HA2 -0.240 3.718 3.960 -0.003 0.000 0.256 110 G HA3 -0.240 3.718 3.960 -0.003 0.000 0.256 110 G C -0.134 174.709 174.900 -0.096 0.000 0.977 110 G CA 0.040 45.150 45.100 0.017 0.000 0.652 110 G HN 0.513 nan 8.290 nan 0.000 0.531 111 N N 0.575 119.242 118.700 -0.055 0.000 2.497 111 N HA 0.298 5.037 4.740 -0.003 0.000 0.268 111 N C 0.946 176.421 175.510 -0.059 0.000 1.171 111 N CA -0.087 52.909 53.050 -0.091 0.000 0.948 111 N CB 0.882 39.339 38.487 -0.050 0.000 1.069 111 N HN 0.353 nan 8.380 nan 0.000 0.460 112 I N 1.585 122.073 120.570 -0.138 0.000 2.752 112 I HA -0.120 4.049 4.170 -0.003 0.000 0.289 112 I C 1.039 177.245 176.117 0.148 0.000 1.197 112 I CA 0.559 61.800 61.300 -0.099 0.000 1.432 112 I CB -0.027 37.750 38.000 -0.373 0.000 1.359 112 I HN 0.473 nan 8.210 nan 0.000 0.571 113 T N 4.242 118.925 114.554 0.215 0.000 2.856 113 T HA 0.714 5.062 4.350 -0.003 0.000 0.283 113 T C -0.311 174.572 174.700 0.305 0.000 1.008 113 T CA -0.837 61.418 62.100 0.259 0.000 0.997 113 T CB 1.842 70.835 68.868 0.208 0.000 0.992 113 T HN 0.416 nan 8.240 nan 0.000 0.454 114 V N -0.898 119.182 119.914 0.277 0.000 3.019 114 V HA 0.673 4.792 4.120 -0.003 0.000 0.317 114 V C -0.602 175.662 176.094 0.283 0.000 1.094 114 V CA -1.110 61.370 62.300 0.300 0.000 1.000 114 V CB 1.786 33.758 31.823 0.248 0.000 1.060 114 V HN 0.916 nan 8.190 nan 0.000 0.443 115 D N 2.263 122.863 120.400 0.333 0.000 2.352 115 D HA 0.184 4.822 4.640 -0.003 0.000 0.245 115 D C 1.463 177.930 176.300 0.277 0.000 1.224 115 D CA 0.630 54.787 54.000 0.261 0.000 0.879 115 D CB 1.449 42.387 40.800 0.230 0.000 1.057 115 D HN 0.967 nan 8.370 nan 0.000 0.491 116 T N 1.026 115.694 114.554 0.190 0.000 3.072 116 T HA -0.005 4.343 4.350 -0.003 0.000 0.266 116 T C 1.764 176.505 174.700 0.070 0.000 1.127 116 T CA 0.659 62.850 62.100 0.152 0.000 1.107 116 T CB -0.001 68.927 68.868 0.101 0.000 0.910 116 T HN 0.278 nan 8.240 nan 0.000 0.513 117 A N 1.986 124.838 122.820 0.053 0.000 1.972 117 A HA -0.065 4.253 4.320 -0.003 0.000 0.219 117 A C 2.332 179.879 177.584 -0.062 0.000 1.169 117 A CA 1.377 53.412 52.037 -0.003 0.000 0.635 117 A CB -0.391 18.613 19.000 0.007 0.000 0.810 117 A HN 0.677 nan 8.150 nan 0.000 0.446 118 E N -2.515 117.645 120.200 -0.067 0.000 2.276 118 E HA -0.046 4.302 4.350 -0.003 0.000 0.193 118 E C -0.402 175.837 176.600 -0.602 0.000 0.983 118 E CA 0.238 56.445 56.400 -0.321 0.000 0.861 118 E CB 0.086 29.611 29.700 -0.293 0.000 0.817 118 E HN 0.815 nan 8.360 nan 0.000 0.485 119 W N 2.960 124.305 121.300 0.075 0.000 2.148 119 W HA 0.279 4.937 4.660 -0.003 0.000 0.288 119 W C -2.434 174.065 176.519 -0.033 0.000 0.920 119 W CA -2.190 55.197 57.345 0.070 0.000 1.904 119 W CB 0.820 30.342 29.460 0.103 0.000 2.083 119 W HN -0.151 nan 8.180 nan 0.000 0.398 120 P HA 0.084 nan 4.420 nan 0.000 0.268 120 P C 1.058 178.302 177.300 -0.094 0.000 1.204 120 P CA 1.243 64.280 63.100 -0.104 0.000 0.768 120 P CB 1.234 32.784 31.700 -0.250 0.000 0.842 121 G N 1.776 110.556 108.800 -0.034 0.000 2.179 121 G HA2 -0.026 3.932 3.960 -0.003 0.000 0.260 121 G HA3 -0.026 3.932 3.960 -0.003 0.000 0.260 121 G C 0.552 175.458 174.900 0.010 0.000 0.977 121 G CA 0.386 45.477 45.100 -0.015 0.000 0.641 121 G HN 1.035 nan 8.290 nan 0.000 0.533 122 G N -1.531 107.291 108.800 0.037 0.000 2.782 122 G HA2 0.051 4.009 3.960 -0.003 0.000 0.228 122 G HA3 0.051 4.009 3.960 -0.003 0.000 0.228 122 G C 0.759 175.554 174.900 -0.174 0.000 1.372 122 G CA 0.389 45.467 45.100 -0.036 0.000 0.862 122 G HN 0.840 nan 8.290 nan 0.000 0.547 123 M N 1.056 120.297 119.600 -0.598 0.000 2.279 123 M HA -0.053 4.426 4.480 -0.003 0.000 0.264 123 M C 2.847 178.822 176.300 -0.542 0.000 1.062 123 M CA 2.286 57.137 55.300 -0.749 0.000 1.099 123 M CB -1.717 30.043 32.600 -1.400 0.000 1.394 123 M HN 1.201 nan 8.290 nan 0.000 0.426 124 S N 0.291 115.724 115.700 -0.445 0.000 2.474 124 S HA 0.027 4.496 4.470 -0.003 0.000 0.235 124 S C 2.016 176.562 174.600 -0.090 0.000 0.997 124 S CA 0.884 58.981 58.200 -0.170 0.000 0.949 124 S CB -0.454 62.773 63.200 0.045 0.000 0.766 124 S HN 0.426 nan 8.310 nan 0.000 0.517 125 A N 1.378 124.180 122.820 -0.029 0.000 1.929 125 A HA 0.197 4.516 4.320 -0.003 0.000 0.216 125 A C 2.091 179.809 177.584 0.224 0.000 1.176 125 A CA 1.106 53.201 52.037 0.096 0.000 0.628 125 A CB -0.644 18.404 19.000 0.080 0.000 0.816 125 A HN 0.532 nan 8.150 nan 0.000 0.444 126 I N 0.595 121.283 120.570 0.197 0.000 2.353 126 I HA -0.144 4.024 4.170 -0.003 0.000 0.248 126 I C 2.614 178.666 176.117 -0.109 0.000 1.119 126 I CA 2.225 63.596 61.300 0.119 0.000 1.417 126 I CB -0.430 37.681 38.000 0.186 0.000 1.078 126 I HN 0.481 nan 8.210 nan 0.000 0.421 127 T N -1.304 113.047 114.554 -0.338 0.000 2.821 127 T HA -0.078 4.270 4.350 -0.003 0.000 0.267 127 T C 2.019 176.396 174.700 -0.538 0.000 1.046 127 T CA 1.028 62.753 62.100 -0.625 0.000 1.139 127 T CB -0.937 67.430 68.868 -0.836 0.000 0.871 127 T HN 0.281 nan 8.240 nan 0.000 0.454 128 A N 0.356 123.057 122.820 -0.199 0.000 1.902 128 A HA 0.011 4.329 4.320 -0.003 0.000 0.217 128 A C 2.179 179.759 177.584 -0.007 0.000 1.181 128 A CA 1.493 53.508 52.037 -0.038 0.000 0.623 128 A CB -1.282 17.745 19.000 0.045 0.000 0.818 128 A HN 0.594 nan 8.150 nan 0.000 0.443 129 Y N 0.378 120.637 120.300 -0.068 0.000 2.145 129 Y HA -0.198 4.350 4.550 -0.003 0.000 0.286 129 Y C 2.077 177.913 175.900 -0.107 0.000 1.145 129 Y CA 1.900 59.967 58.100 -0.056 0.000 1.148 129 Y CB -0.263 38.166 38.460 -0.052 0.000 0.981 129 Y HN 0.275 nan 8.280 nan 0.000 0.507 130 I N -0.676 119.839 120.570 -0.092 0.000 2.163 130 I HA -0.405 3.763 4.170 -0.003 0.000 0.243 130 I C 2.195 178.232 176.117 -0.134 0.000 1.085 130 I CA 2.010 63.212 61.300 -0.163 0.000 1.347 130 I CB -0.625 37.264 38.000 -0.185 0.000 1.044 130 I HN 0.322 nan 8.210 nan 0.000 0.408 131 H N -0.240 118.761 119.070 -0.115 0.000 2.421 131 H HA -0.143 4.412 4.556 -0.003 0.000 0.298 131 H C 2.483 177.736 175.328 -0.125 0.000 1.087 131 H CA 1.182 57.167 56.048 -0.104 0.000 1.330 131 H CB -0.030 29.687 29.762 -0.075 0.000 1.388 131 H HN 0.397 nan 8.280 nan 0.000 0.526 132 S N 0.721 116.385 115.700 -0.059 0.000 2.442 132 S HA -0.090 4.378 4.470 -0.003 0.000 0.236 132 S C 1.525 176.027 174.600 -0.163 0.000 1.007 132 S CA 0.814 58.935 58.200 -0.131 0.000 0.965 132 S CB 0.084 63.152 63.200 -0.219 0.000 0.773 132 S HN 0.236 nan 8.310 nan 0.000 0.504 133 K N 0.842 121.131 120.400 -0.185 0.000 2.410 133 K HA 0.302 4.621 4.320 -0.003 0.000 0.200 133 K C 1.191 177.753 176.600 -0.064 0.000 1.023 133 K CA 0.468 56.670 56.287 -0.142 0.000 1.149 133 K CB -0.227 32.165 32.500 -0.179 0.000 0.859 133 K HN 0.544 nan 8.250 nan 0.000 0.514 134 G N 1.739 110.512 108.800 -0.045 0.000 2.160 134 G HA2 -0.267 3.691 3.960 -0.003 0.000 0.251 134 G HA3 -0.267 3.691 3.960 -0.003 0.000 0.251 134 G C 0.027 174.915 174.900 -0.020 0.000 1.008 134 G CA 0.306 45.391 45.100 -0.026 0.000 0.724 134 G HN 0.246 nan 8.290 nan 0.000 0.514 135 L N -1.359 119.852 121.223 -0.019 0.000 2.304 135 L HA 0.685 5.023 4.340 -0.003 0.000 0.268 135 L C 0.675 177.558 176.870 0.022 0.000 1.010 135 L CA -1.196 53.617 54.840 -0.045 0.000 0.813 135 L CB 1.333 43.313 42.059 -0.132 0.000 1.315 135 L HN -0.030 nan 8.230 nan 0.000 0.445 136 K N 0.438 120.798 120.400 -0.067 0.000 2.118 136 K HA 0.741 5.059 4.320 -0.003 0.000 0.254 136 K C -0.899 175.777 176.600 0.126 0.000 0.961 136 K CA -0.637 55.667 56.287 0.028 0.000 0.876 136 K CB 2.014 34.355 32.500 -0.265 0.000 1.077 136 K HN 0.637 nan 8.250 nan 0.000 0.440 137 A N 1.088 124.054 122.820 0.242 0.000 2.330 137 A HA 0.718 5.036 4.320 -0.003 0.000 0.327 137 A C -0.321 177.571 177.584 0.513 0.000 1.155 137 A CA -0.584 51.595 52.037 0.236 0.000 0.803 137 A CB 1.389 20.348 19.000 -0.069 0.000 1.208 137 A HN 0.746 nan 8.150 nan 0.000 0.477 138 G N 0.325 109.359 108.800 0.390 0.000 2.453 138 G HA2 0.613 4.571 3.960 -0.003 0.000 0.323 138 G HA3 0.613 4.571 3.960 -0.003 0.000 0.323 138 G C -1.129 173.699 174.900 -0.119 0.000 1.198 138 G CA -0.290 44.978 45.100 0.280 0.000 0.959 138 G HN 0.707 nan 8.290 nan 0.000 0.482 139 I N -0.391 119.910 120.570 -0.449 0.000 3.322 139 I HA 0.811 4.979 4.170 -0.003 0.000 0.313 139 I C -1.769 174.123 176.117 -0.375 0.000 1.129 139 I CA -1.792 58.928 61.300 -0.967 0.000 0.963 139 I CB 2.411 39.061 38.000 -2.250 0.000 1.273 139 I HN 0.514 nan 8.210 nan 0.000 0.473 140 Y N 1.789 121.860 120.300 -0.382 0.000 2.433 140 Y HA 0.655 5.203 4.550 -0.003 0.000 0.337 140 Y C -0.801 175.290 175.900 0.318 0.000 1.026 140 Y CA -0.103 58.036 58.100 0.065 0.000 1.037 140 Y CB 1.637 40.225 38.460 0.215 0.000 1.245 140 Y HN 0.719 nan 8.280 nan 0.000 0.443 141 T N 3.603 117.951 114.554 -0.343 0.000 2.647 141 T HA 0.318 4.666 4.350 -0.003 0.000 0.295 141 T C -2.224 172.324 174.700 -0.253 0.000 1.126 141 T CA -0.605 61.469 62.100 -0.044 0.000 1.040 141 T CB 1.602 70.708 68.868 0.398 0.000 1.472 141 T HN 0.753 nan 8.240 nan 0.000 0.500 142 D N -0.404 120.029 120.400 0.055 0.000 2.340 142 D HA 0.609 5.247 4.640 -0.003 0.000 0.240 142 D C 0.700 177.089 176.300 0.148 0.000 1.001 142 D CA -0.269 53.779 54.000 0.079 0.000 0.888 142 D CB 2.290 43.167 40.800 0.129 0.000 1.310 142 D HN 0.603 nan 8.370 nan 0.000 0.474 143 A N 2.168 125.052 122.820 0.107 0.000 2.014 143 A HA 0.181 4.499 4.320 -0.003 0.000 0.218 143 A C 1.156 178.825 177.584 0.141 0.000 1.163 143 A CA 1.303 53.389 52.037 0.082 0.000 0.652 143 A CB -0.321 18.659 19.000 -0.034 0.000 0.808 143 A HN 0.504 nan 8.150 nan 0.000 0.449 144 G N -1.400 107.418 108.800 0.031 0.000 2.531 144 G HA2 0.394 4.353 3.960 -0.003 0.000 0.281 144 G HA3 0.394 4.353 3.960 -0.003 0.000 0.281 144 G C 0.531 175.465 174.900 0.057 0.000 1.382 144 G CA -0.263 44.831 45.100 -0.010 0.000 1.045 144 G HN 0.244 nan 8.290 nan 0.000 0.533 145 K N -0.629 119.783 120.400 0.020 0.000 2.296 145 K HA 0.076 4.394 4.320 -0.003 0.000 0.200 145 K C -0.405 176.177 176.600 -0.031 0.000 1.048 145 K CA 0.887 57.177 56.287 0.005 0.000 0.966 145 K CB 0.078 32.554 32.500 -0.040 0.000 0.754 145 K HN 0.476 nan 8.250 nan 0.000 0.466 146 D N -1.168 119.231 120.400 -0.002 0.000 2.732 146 D HA 0.333 4.971 4.640 -0.003 0.000 0.229 146 D C -0.465 175.921 176.300 0.143 0.000 1.152 146 D CA -0.652 53.294 54.000 -0.090 0.000 0.854 146 D CB 1.991 42.537 40.800 -0.423 0.000 1.590 146 D HN 0.056 nan 8.370 nan 0.000 0.468 147 G N -0.706 108.155 108.800 0.100 0.000 2.642 147 G HA2 0.309 4.268 3.960 -0.003 0.000 0.291 147 G HA3 0.309 4.268 3.960 -0.003 0.000 0.291 147 G C 0.811 175.927 174.900 0.360 0.000 1.345 147 G CA -0.579 44.660 45.100 0.232 0.000 1.043 147 G HN 0.724 nan 8.290 nan 0.000 0.528 148 c N -0.355 118.482 118.600 0.394 0.000 2.419 148 c HA 0.029 4.598 4.570 -0.003 0.000 0.281 148 c C 2.962 177.220 174.090 0.279 0.000 1.336 148 c CA 0.881 57.462 56.329 0.420 0.000 1.770 148 c CB -1.106 41.634 42.510 0.384 0.000 1.929 148 c HN 0.843 nan 8.230 nan 0.000 0.509 149 G N -1.472 107.447 108.800 0.198 0.000 2.509 149 G HA2 -0.210 3.748 3.960 -0.003 0.000 0.218 149 G HA3 -0.210 3.748 3.960 -0.003 0.000 0.218 149 G C 1.266 176.188 174.900 0.036 0.000 1.124 149 G CA 0.765 45.925 45.100 0.099 0.000 0.776 149 G HN 0.623 nan 8.290 nan 0.000 0.547 150 Y N -0.308 119.927 120.300 -0.107 0.000 2.239 150 Y HA 0.177 4.725 4.550 -0.003 0.000 0.293 150 Y C 2.427 178.144 175.900 -0.304 0.000 1.126 150 Y CA 0.684 58.624 58.100 -0.267 0.000 1.128 150 Y CB -0.041 38.147 38.460 -0.453 0.000 1.066 150 Y HN 0.145 nan 8.280 nan 0.000 0.516 151 Y N -1.162 119.022 120.300 -0.193 0.000 2.242 151 Y HA -0.111 4.437 4.550 -0.003 0.000 0.291 151 Y C 0.195 175.652 175.900 -0.738 0.000 1.137 151 Y CA 1.410 59.195 58.100 -0.526 0.000 1.181 151 Y CB -0.264 37.917 38.460 -0.466 0.000 0.989 151 Y HN 0.087 nan 8.280 nan 0.000 0.527 152 Y N -0.668 119.681 120.300 0.081 0.000 2.511 152 Y HA 0.388 4.936 4.550 -0.003 0.000 0.356 152 Y C -2.636 173.275 175.900 0.018 0.000 1.002 152 Y CA -3.672 54.456 58.100 0.047 0.000 1.127 152 Y CB 0.039 38.550 38.460 0.086 0.000 1.137 152 Y HN -0.134 nan 8.280 nan 0.000 0.652 153 P HA 0.146 nan 4.420 nan 0.000 0.268 153 P C -0.101 177.193 177.300 -0.010 0.000 1.204 153 P CA 0.329 63.434 63.100 0.009 0.000 0.768 153 P CB 0.837 32.504 31.700 -0.056 0.000 0.842 154 T N 2.087 116.598 114.554 -0.072 0.000 3.298 154 T HA 0.498 4.846 4.350 -0.003 0.000 0.318 154 T C 0.635 175.050 174.700 -0.474 0.000 1.165 154 T CA 0.126 61.994 62.100 -0.386 0.000 1.557 154 T CB 0.360 69.088 68.868 -0.232 0.000 0.898 154 T HN 0.651 nan 8.240 nan 0.000 0.585 155 G N 2.463 111.079 108.800 -0.306 0.000 2.201 155 G HA2 -0.159 3.799 3.960 -0.003 0.000 0.212 155 G HA3 -0.159 3.799 3.960 -0.003 0.000 0.212 155 G C 0.028 174.927 174.900 -0.002 0.000 0.994 155 G CA -0.522 44.523 45.100 -0.092 0.000 0.644 155 G HN 0.634 nan 8.290 nan 0.000 0.508 156 R N 0.014 120.509 120.500 -0.009 0.000 2.739 156 R HA 0.526 4.864 4.340 -0.003 0.000 0.271 156 R C -2.761 173.537 176.300 -0.003 0.000 1.010 156 R CA -1.704 54.404 56.100 0.014 0.000 0.897 156 R CB 1.740 32.060 30.300 0.034 0.000 1.236 156 R HN 0.039 nan 8.270 nan 0.000 0.466 157 P HA 0.045 nan 4.420 nan 0.000 0.269 157 P C -0.821 176.459 177.300 -0.034 0.000 1.217 157 P CA -0.231 62.858 63.100 -0.019 0.000 0.783 157 P CB 0.407 32.101 31.700 -0.011 0.000 0.898 158 A N 1.534 124.315 122.820 -0.064 0.000 2.561 158 A HA 0.364 4.682 4.320 -0.003 0.000 0.234 158 A C 0.514 178.091 177.584 -0.012 0.000 1.055 158 A CA 0.517 52.502 52.037 -0.087 0.000 0.756 158 A CB -0.662 18.216 19.000 -0.202 0.000 0.986 158 A HN 0.555 nan 8.150 nan 0.000 0.505 159 A N 4.993 127.819 122.820 0.010 0.000 2.786 159 A HA 0.619 4.937 4.320 -0.003 0.000 0.346 159 A C -2.467 175.056 177.584 -0.102 0.000 1.265 159 A CA -1.616 50.376 52.037 -0.076 0.000 0.858 159 A CB 0.086 18.983 19.000 -0.171 0.000 1.118 159 A HN 0.649 nan 8.150 nan 0.000 0.482 160 P HA 0.204 nan 4.420 nan 0.000 0.266 160 P C 0.982 178.044 177.300 -0.396 0.000 1.195 160 P CA 1.727 64.599 63.100 -0.380 0.000 0.768 160 P CB 0.992 32.509 31.700 -0.305 0.000 0.838 161 G N 2.396 110.932 108.800 -0.440 0.000 2.176 161 G HA2 -0.265 3.693 3.960 -0.003 0.000 0.253 161 G HA3 -0.265 3.693 3.960 -0.003 0.000 0.253 161 G C 0.492 175.080 174.900 -0.521 0.000 0.979 161 G CA 0.291 45.181 45.100 -0.350 0.000 0.641 161 G HN 0.701 nan 8.290 nan 0.000 0.530 162 S N 0.101 115.404 115.700 -0.661 0.000 3.227 162 S HA 0.578 5.046 4.470 -0.003 0.000 0.249 162 S C 0.810 175.240 174.600 -0.283 0.000 1.322 162 S CA 0.621 58.219 58.200 -1.003 0.000 1.253 162 S CB 0.520 63.315 63.200 -0.674 0.000 1.076 162 S HN 1.728 nan 8.310 nan 0.000 0.471 163 G N -0.535 108.267 108.800 0.003 0.000 2.672 163 G HA2 0.523 4.481 3.960 -0.003 0.000 0.292 163 G HA3 0.523 4.481 3.960 -0.003 0.000 0.292 163 G C -0.103 175.035 174.900 0.395 0.000 1.375 163 G CA -0.800 44.457 45.100 0.263 0.000 0.890 163 G HN 0.174 nan 8.290 nan 0.000 0.476 164 S N -0.721 115.208 115.700 0.382 0.000 2.556 164 S HA 0.129 4.597 4.470 -0.003 0.000 0.216 164 S C 0.740 175.490 174.600 0.250 0.000 0.970 164 S CA -0.245 58.183 58.200 0.380 0.000 0.912 164 S CB 0.016 63.470 63.200 0.423 0.000 0.790 164 S HN 0.649 nan 8.310 nan 0.000 0.504 165 E N 0.859 121.135 120.200 0.127 0.000 2.452 165 E HA 0.242 4.590 4.350 -0.003 0.000 0.261 165 E C 1.188 177.628 176.600 -0.268 0.000 0.987 165 E CA 0.768 57.013 56.400 -0.258 0.000 0.926 165 E CB 0.107 29.741 29.700 -0.111 0.000 0.934 165 E HN 0.343 nan 8.360 nan 0.000 0.452 166 G N 4.399 112.873 108.800 -0.544 0.000 2.184 166 G HA2 -0.285 3.674 3.960 -0.003 0.000 0.264 166 G HA3 -0.285 3.674 3.960 -0.003 0.000 0.264 166 G C 0.401 174.892 174.900 -0.682 0.000 0.975 166 G CA 0.542 45.332 45.100 -0.518 0.000 0.642 166 G HN 0.769 nan 8.290 nan 0.000 0.536 167 H N -1.524 117.388 119.070 -0.263 0.000 2.750 167 H HA 0.258 4.813 4.556 -0.003 0.000 0.239 167 H C 1.164 176.465 175.328 -0.044 0.000 1.210 167 H CA -0.363 55.605 56.048 -0.132 0.000 0.936 167 H CB 0.181 29.897 29.762 -0.076 0.000 2.074 167 H HN 0.316 nan 8.280 nan 0.000 0.622 168 Y N 1.496 121.794 120.300 -0.003 0.000 2.114 168 Y HA -0.192 4.357 4.550 -0.003 0.000 0.284 168 Y C 2.181 178.045 175.900 -0.059 0.000 1.143 168 Y CA 0.737 58.824 58.100 -0.022 0.000 1.135 168 Y CB -0.256 38.189 38.460 -0.025 0.000 0.980 168 Y HN 0.250 nan 8.280 nan 0.000 0.499 169 D N -0.327 120.136 120.400 0.105 0.000 2.117 169 D HA -0.192 4.447 4.640 -0.003 0.000 0.198 169 D C 2.171 178.439 176.300 -0.053 0.000 0.982 169 D CA 1.269 55.279 54.000 0.015 0.000 0.828 169 D CB -0.295 40.507 40.800 0.003 0.000 0.967 169 D HN 0.443 nan 8.370 nan 0.000 0.464 170 Q N 0.600 120.368 119.800 -0.053 0.000 2.030 170 Q HA -0.189 4.149 4.340 -0.003 0.000 0.204 170 Q C 1.415 177.261 176.000 -0.256 0.000 0.986 170 Q CA 1.773 57.512 55.803 -0.106 0.000 0.843 170 Q CB 0.177 28.907 28.738 -0.013 0.000 0.904 170 Q HN 0.094 nan 8.270 nan 0.000 0.420 171 D N -0.492 119.734 120.400 -0.290 0.000 2.123 171 D HA -0.129 4.509 4.640 -0.003 0.000 0.200 171 D C 1.905 177.626 176.300 -0.966 0.000 0.976 171 D CA 0.973 54.560 54.000 -0.690 0.000 0.831 171 D CB -0.085 40.398 40.800 -0.529 0.000 0.974 171 D HN 0.289 nan 8.370 nan 0.000 0.469 172 M N 0.191 119.538 119.600 -0.422 0.000 2.117 172 M HA -0.082 4.396 4.480 -0.003 0.000 0.262 172 M C 2.211 178.413 176.300 -0.162 0.000 1.065 172 M CA 0.725 55.916 55.300 -0.181 0.000 1.114 172 M CB -1.011 31.584 32.600 -0.009 0.000 1.361 172 M HN 0.082 nan 8.290 nan 0.000 0.408 173 L N 0.601 121.712 121.223 -0.187 0.000 2.042 173 L HA -0.221 4.117 4.340 -0.003 0.000 0.210 173 L C 2.518 179.242 176.870 -0.244 0.000 1.076 173 L CA 1.996 56.743 54.840 -0.155 0.000 0.749 173 L CB -0.962 41.015 42.059 -0.136 0.000 0.893 173 L HN 0.309 nan 8.230 nan 0.000 0.432 174 Q N -0.891 118.636 119.800 -0.456 0.000 2.061 174 Q HA -0.217 4.122 4.340 -0.003 0.000 0.204 174 Q C 2.003 177.659 176.000 -0.574 0.000 0.984 174 Q CA 2.185 57.561 55.803 -0.712 0.000 0.846 174 Q CB -0.464 27.680 28.738 -0.991 0.000 0.902 174 Q HN 0.506 nan 8.270 nan 0.000 0.421 175 F N -0.365 119.451 119.950 -0.223 0.000 2.134 175 F HA -0.098 4.427 4.527 -0.003 0.000 0.299 175 F C 2.736 178.697 175.800 0.268 0.000 1.097 175 F CA 1.282 59.379 58.000 0.162 0.000 1.264 175 F CB -1.410 37.654 39.000 0.105 0.000 1.001 175 F HN 0.130 nan 8.300 nan 0.000 0.479 176 S N -0.483 115.385 115.700 0.281 0.000 2.383 176 S HA -0.158 4.310 4.470 -0.003 0.000 0.227 176 S C 2.280 176.973 174.600 0.154 0.000 1.026 176 S CA 1.797 60.128 58.200 0.219 0.000 0.981 176 S CB -0.653 62.626 63.200 0.131 0.000 0.818 176 S HN 0.559 nan 8.310 nan 0.000 0.472 177 T N -1.646 112.940 114.554 0.053 0.000 2.788 177 T HA -0.107 4.242 4.350 -0.003 0.000 0.268 177 T C 1.590 176.373 174.700 0.138 0.000 1.044 177 T CA 1.005 63.120 62.100 0.026 0.000 1.139 177 T CB -0.654 68.161 68.868 -0.089 0.000 0.867 177 T HN 0.504 nan 8.240 nan 0.000 0.454 178 W N 2.275 123.626 121.300 0.085 0.000 2.421 178 W HA 0.314 4.972 4.660 -0.003 0.000 0.270 178 W C 2.069 178.513 176.519 -0.125 0.000 1.233 178 W CA 0.829 58.180 57.345 0.009 0.000 1.226 178 W CB -1.121 28.389 29.460 0.083 0.000 1.121 178 W HN 0.664 nan 8.180 nan 0.000 0.579 179 G N -2.172 106.730 108.800 0.171 0.000 2.168 179 G HA2 -0.231 3.727 3.960 -0.003 0.000 0.197 179 G HA3 -0.231 3.727 3.960 -0.003 0.000 0.197 179 G C -0.100 174.846 174.900 0.078 0.000 0.997 179 G CA -0.733 44.442 45.100 0.124 0.000 0.658 179 G HN -0.011 nan 8.290 nan 0.000 0.513 180 F N 1.800 121.896 119.950 0.244 0.000 2.471 180 F HA 0.374 4.899 4.527 -0.003 0.000 0.353 180 F C 1.319 177.267 175.800 0.247 0.000 1.113 180 F CA 0.169 58.291 58.000 0.203 0.000 1.262 180 F CB 0.775 39.855 39.000 0.132 0.000 1.146 180 F HN 0.015 nan 8.300 nan 0.000 0.578 181 D N 1.824 122.525 120.400 0.501 0.000 2.407 181 D HA 0.037 4.675 4.640 -0.003 0.000 0.208 181 D C -0.476 176.133 176.300 0.515 0.000 1.083 181 D CA 0.644 54.912 54.000 0.446 0.000 0.844 181 D CB 0.595 41.655 40.800 0.434 0.000 0.967 181 D HN 0.269 nan 8.370 nan 0.000 0.506 182 F N 1.096 121.215 119.950 0.282 0.000 2.608 182 F HA 0.433 4.958 4.527 -0.003 0.000 0.309 182 F C -1.858 173.947 175.800 0.009 0.000 1.103 182 F CA -1.038 57.027 58.000 0.109 0.000 0.954 182 F CB 1.972 40.984 39.000 0.020 0.000 1.267 182 F HN -0.331 nan 8.300 nan 0.000 0.444 183 V N 6.439 126.164 119.914 -0.315 0.000 2.668 183 V HA 0.455 4.574 4.120 -0.003 0.000 0.304 183 V C -1.531 174.372 176.094 -0.318 0.000 1.071 183 V CA -0.623 61.552 62.300 -0.208 0.000 0.894 183 V CB 1.798 33.556 31.823 -0.108 0.000 1.008 183 V HN 0.856 nan 8.190 nan 0.000 0.425 184 K N 5.490 125.855 120.400 -0.057 0.000 2.234 184 K HA 0.701 5.019 4.320 -0.003 0.000 0.277 184 K C -1.461 175.123 176.600 -0.025 0.000 1.038 184 K CA -0.496 55.812 56.287 0.036 0.000 0.888 184 K CB 1.625 34.325 32.500 0.333 0.000 1.091 184 K HN 0.566 nan 8.250 nan 0.000 0.467 185 V N 4.763 124.681 119.914 0.007 0.000 2.326 185 V HA 0.125 4.243 4.120 -0.003 0.000 0.281 185 V C 0.024 176.210 176.094 0.154 0.000 1.015 185 V CA -0.893 61.438 62.300 0.053 0.000 0.823 185 V CB 1.046 32.962 31.823 0.156 0.000 1.009 185 V HN 0.857 nan 8.190 nan 0.000 0.436 186 D N 2.368 122.793 120.400 0.040 0.000 2.447 186 D HA 0.185 4.823 4.640 -0.003 0.000 0.265 186 D C 0.009 176.490 176.300 0.302 0.000 1.250 186 D CA -0.425 53.695 54.000 0.199 0.000 1.046 186 D CB 1.597 42.532 40.800 0.225 0.000 1.095 186 D HN 0.650 nan 8.370 nan 0.000 0.555 187 W N 1.011 122.296 121.300 -0.024 0.000 2.499 187 W HA 0.081 4.739 4.660 -0.003 0.000 0.362 187 W C 0.951 177.448 176.519 -0.036 0.000 0.945 187 W CA -0.373 56.806 57.345 -0.277 0.000 1.721 187 W CB 0.100 28.981 29.460 -0.964 0.000 1.156 187 W HN 0.321 nan 8.180 nan 0.000 0.547 188 c N 0.357 119.161 118.600 0.339 0.000 2.413 188 c HA -0.145 4.423 4.570 -0.003 0.000 0.276 188 c C 2.949 176.927 174.090 -0.187 0.000 1.248 188 c CA 2.236 58.769 56.329 0.339 0.000 1.742 188 c CB -1.574 41.252 42.510 0.528 0.000 2.017 188 c HN 0.564 nan 8.230 nan 0.000 0.481 189 G N -0.102 108.639 108.800 -0.098 0.000 2.421 189 G HA2 0.104 4.062 3.960 -0.003 0.000 0.217 189 G HA3 0.104 4.062 3.960 -0.003 0.000 0.217 189 G C 1.764 176.387 174.900 -0.462 0.000 1.143 189 G CA 1.047 46.053 45.100 -0.156 0.000 0.784 189 G HN 0.574 nan 8.290 nan 0.000 0.541 190 G N 0.743 109.034 108.800 -0.849 0.000 2.421 190 G HA2 -0.211 3.747 3.960 -0.003 0.000 0.216 190 G HA3 -0.211 3.747 3.960 -0.003 0.000 0.216 190 G C 1.454 175.517 174.900 -1.395 0.000 1.171 190 G CA 1.357 45.495 45.100 -1.603 0.000 0.775 190 G HN 0.447 nan 8.290 nan 0.000 0.543 191 D N 0.619 120.233 120.400 -1.311 0.000 2.117 191 D HA 0.042 4.681 4.640 -0.003 0.000 0.198 191 D C 2.706 178.848 176.300 -0.263 0.000 0.982 191 D CA 1.451 55.175 54.000 -0.460 0.000 0.828 191 D CB -0.330 40.483 40.800 0.022 0.000 0.967 191 D HN 0.225 nan 8.370 nan 0.000 0.464 192 A N 0.254 122.833 122.820 -0.402 0.000 1.902 192 A HA -0.165 4.154 4.320 -0.003 0.000 0.217 192 A C 2.061 179.528 177.584 -0.195 0.000 1.181 192 A CA 1.607 53.426 52.037 -0.362 0.000 0.623 192 A CB -0.577 17.939 19.000 -0.806 0.000 0.818 192 A HN 0.345 nan 8.150 nan 0.000 0.443 193 E N -1.851 118.213 120.200 -0.226 0.000 2.371 193 E HA 0.242 4.590 4.350 -0.003 0.000 0.194 193 E C 1.063 177.596 176.600 -0.111 0.000 1.012 193 E CA 0.309 56.624 56.400 -0.140 0.000 0.860 193 E CB -0.054 29.555 29.700 -0.152 0.000 0.811 193 E HN 0.759 nan 8.360 nan 0.000 0.502 194 G N 1.496 110.221 108.800 -0.125 0.000 2.142 194 G HA2 -0.262 3.696 3.960 -0.003 0.000 0.225 194 G HA3 -0.262 3.696 3.960 -0.003 0.000 0.225 194 G C 0.122 175.007 174.900 -0.026 0.000 1.015 194 G CA -0.200 44.873 45.100 -0.045 0.000 0.716 194 G HN 0.105 nan 8.290 nan 0.000 0.508 195 L N 0.147 121.318 121.223 -0.087 0.000 2.461 195 L HA 0.330 4.668 4.340 -0.003 0.000 0.272 195 L C 0.794 177.785 176.870 0.200 0.000 1.197 195 L CA -0.276 54.567 54.840 0.005 0.000 0.836 195 L CB 0.443 42.453 42.059 -0.082 0.000 1.105 195 L HN 0.272 nan 8.230 nan 0.000 0.477 196 D N 0.911 121.378 120.400 0.113 0.000 2.317 196 D HA 0.277 4.915 4.640 -0.003 0.000 0.252 196 D C 0.696 176.983 176.300 -0.022 0.000 1.174 196 D CA 0.139 54.158 54.000 0.031 0.000 0.866 196 D CB 1.717 42.470 40.800 -0.080 0.000 1.127 196 D HN 0.562 nan 8.370 nan 0.000 0.467 197 A N 4.112 126.816 122.820 -0.193 0.000 1.898 197 A HA -0.012 4.307 4.320 -0.003 0.000 0.216 197 A C 2.138 179.155 177.584 -0.946 0.000 1.181 197 A CA 1.658 53.318 52.037 -0.628 0.000 0.620 197 A CB -0.901 17.626 19.000 -0.788 0.000 0.819 197 A HN 0.683 nan 8.150 nan 0.000 0.442 198 A N -0.200 121.795 122.820 -1.376 0.000 1.877 198 A HA -0.123 4.195 4.320 -0.003 0.000 0.216 198 A C 2.454 179.605 177.584 -0.723 0.000 1.186 198 A CA 2.671 53.703 52.037 -1.676 0.000 0.620 198 A CB -1.399 16.695 19.000 -1.509 0.000 0.822 198 A HN 0.746 nan 8.150 nan 0.000 0.443 199 T N -3.710 110.567 114.554 -0.462 0.000 2.904 199 T HA -0.079 4.270 4.350 -0.003 0.000 0.267 199 T C 1.800 176.387 174.700 -0.189 0.000 1.059 199 T CA 1.832 63.779 62.100 -0.255 0.000 1.137 199 T CB -0.809 67.955 68.868 -0.173 0.000 0.879 199 T HN 0.302 nan 8.240 nan 0.000 0.467 200 T N 0.993 115.426 114.554 -0.202 0.000 2.737 200 T HA -0.012 4.336 4.350 -0.003 0.000 0.265 200 T C 1.474 176.006 174.700 -0.280 0.000 1.038 200 T CA 1.267 63.271 62.100 -0.161 0.000 1.144 200 T CB -0.553 68.273 68.868 -0.071 0.000 0.866 200 T HN 0.459 nan 8.240 nan 0.000 0.434 201 Y N 1.311 121.473 120.300 -0.230 0.000 2.439 201 Y HA 0.040 4.588 4.550 -0.003 0.000 0.292 201 Y C 2.373 178.181 175.900 -0.154 0.000 1.130 201 Y CA 0.632 58.620 58.100 -0.186 0.000 1.254 201 Y CB -0.215 38.178 38.460 -0.112 0.000 1.000 201 Y HN 0.044 nan 8.280 nan 0.000 0.554 202 K N 0.112 120.484 120.400 -0.046 0.000 2.026 202 K HA -0.161 4.157 4.320 -0.003 0.000 0.208 202 K C 2.477 179.047 176.600 -0.049 0.000 1.048 202 K CA 1.733 57.990 56.287 -0.049 0.000 0.929 202 K CB -0.692 31.756 32.500 -0.086 0.000 0.713 202 K HN 0.084 nan 8.250 nan 0.000 0.439 203 S N -0.198 115.464 115.700 -0.064 0.000 2.359 203 S HA -0.105 4.364 4.470 -0.003 0.000 0.224 203 S C 1.946 176.489 174.600 -0.096 0.000 1.035 203 S CA 1.527 59.711 58.200 -0.026 0.000 1.018 203 S CB -0.390 62.851 63.200 0.069 0.000 0.876 203 S HN 0.386 nan 8.310 nan 0.000 0.448 204 I N 0.962 121.365 120.570 -0.280 0.000 2.163 204 I HA -0.160 4.008 4.170 -0.003 0.000 0.243 204 I C 2.793 178.838 176.117 -0.120 0.000 1.085 204 I CA 1.458 62.536 61.300 -0.370 0.000 1.347 204 I CB -0.579 37.157 38.000 -0.440 0.000 1.044 204 I HN 0.365 nan 8.210 nan 0.000 0.408 205 S N 0.553 116.227 115.700 -0.043 0.000 2.370 205 S HA -0.248 4.220 4.470 -0.003 0.000 0.226 205 S C 1.723 176.322 174.600 -0.001 0.000 1.033 205 S CA 2.039 60.238 58.200 -0.002 0.000 1.011 205 S CB -0.347 62.862 63.200 0.014 0.000 0.852 205 S HN 0.380 nan 8.310 nan 0.000 0.457 206 D N 1.194 121.589 120.400 -0.008 0.000 2.117 206 D HA 0.018 4.656 4.640 -0.003 0.000 0.197 206 D C 2.221 178.527 176.300 0.011 0.000 0.987 206 D CA 1.328 55.331 54.000 0.005 0.000 0.829 206 D CB -0.666 40.137 40.800 0.005 0.000 0.961 206 D HN 0.506 nan 8.370 nan 0.000 0.460 207 A N 0.508 123.333 122.820 0.008 0.000 1.930 207 A HA -0.100 4.219 4.320 -0.003 0.000 0.217 207 A C 2.509 180.104 177.584 0.018 0.000 1.175 207 A CA 0.929 52.978 52.037 0.021 0.000 0.627 207 A CB -0.681 18.346 19.000 0.046 0.000 0.815 207 A HN 0.128 nan 8.150 nan 0.000 0.443 208 V N 0.037 119.960 119.914 0.015 0.000 2.287 208 V HA -0.230 3.888 4.120 -0.003 0.000 0.248 208 V C 2.826 178.943 176.094 0.039 0.000 1.053 208 V CA 2.118 64.438 62.300 0.033 0.000 1.027 208 V CB -1.424 30.415 31.823 0.026 0.000 0.646 208 V HN 0.611 nan 8.190 nan 0.000 0.447 209 G N -0.494 108.326 108.800 0.033 0.000 2.418 209 G HA2 -0.240 3.718 3.960 -0.003 0.000 0.217 209 G HA3 -0.240 3.718 3.960 -0.003 0.000 0.217 209 G C 1.744 176.663 174.900 0.032 0.000 1.158 209 G CA 0.704 45.826 45.100 0.037 0.000 0.771 209 G HN 0.443 nan 8.290 nan 0.000 0.545 210 R N 0.404 120.918 120.500 0.024 0.000 2.092 210 R HA 0.087 4.425 4.340 -0.003 0.000 0.231 210 R C 3.024 179.334 176.300 0.017 0.000 1.119 210 R CA 0.989 57.100 56.100 0.018 0.000 0.970 210 R CB -0.322 29.985 30.300 0.011 0.000 0.864 210 R HN 0.356 nan 8.270 nan 0.000 0.440 211 A N 1.430 124.262 122.820 0.020 0.000 1.877 211 A HA -0.100 4.218 4.320 -0.003 0.000 0.216 211 A C 2.394 180.000 177.584 0.037 0.000 1.186 211 A CA 1.660 53.709 52.037 0.019 0.000 0.620 211 A CB -0.675 18.339 19.000 0.023 0.000 0.822 211 A HN 0.375 nan 8.150 nan 0.000 0.443 212 A N -0.205 122.646 122.820 0.052 0.000 1.933 212 A HA 0.150 4.469 4.320 -0.003 0.000 0.218 212 A C 2.470 180.081 177.584 0.045 0.000 1.175 212 A CA 2.100 54.173 52.037 0.060 0.000 0.628 212 A CB -0.946 18.095 19.000 0.069 0.000 0.814 212 A HN 1.070 nan 8.150 nan 0.000 0.444 213 A N -1.063 121.778 122.820 0.036 0.000 1.930 213 A HA -0.048 4.270 4.320 -0.003 0.000 0.217 213 A C 2.285 179.882 177.584 0.022 0.000 1.175 213 A CA 2.199 54.253 52.037 0.029 0.000 0.627 213 A CB -1.071 17.944 19.000 0.025 0.000 0.815 213 A HN 0.435 nan 8.150 nan 0.000 0.443 214 T N -0.047 114.518 114.554 0.018 0.000 2.770 214 T HA -0.110 4.238 4.350 -0.003 0.000 0.263 214 T C 2.153 176.862 174.700 0.014 0.000 1.039 214 T CA 2.092 64.198 62.100 0.011 0.000 1.142 214 T CB -0.544 68.324 68.868 0.001 0.000 0.868 214 T HN 0.787 nan 8.240 nan 0.000 0.435 215 T N -1.264 113.303 114.554 0.022 0.000 3.054 215 T HA 0.350 4.698 4.350 -0.003 0.000 0.259 215 T C 1.929 176.646 174.700 0.028 0.000 1.092 215 T CA 0.978 63.094 62.100 0.026 0.000 1.121 215 T CB -0.249 68.643 68.868 0.040 0.000 0.912 215 T HN 0.552 nan 8.240 nan 0.000 0.489 216 G N 1.608 110.427 108.800 0.031 0.000 2.179 216 G HA2 -0.282 3.676 3.960 -0.003 0.000 0.260 216 G HA3 -0.282 3.676 3.960 -0.003 0.000 0.260 216 G C 0.133 175.054 174.900 0.035 0.000 0.977 216 G CA 0.133 45.251 45.100 0.029 0.000 0.641 216 G HN 0.846 nan 8.290 nan 0.000 0.533 217 R N 1.045 121.575 120.500 0.049 0.000 2.229 217 R HA 0.525 4.863 4.340 -0.003 0.000 0.332 217 R C -2.447 173.905 176.300 0.087 0.000 0.989 217 R CA -1.960 54.177 56.100 0.062 0.000 0.842 217 R CB 1.034 31.380 30.300 0.077 0.000 1.119 217 R HN 0.040 nan 8.270 nan 0.000 0.456 218 P HA -0.092 nan 4.420 nan 0.000 0.265 218 P C -1.325 176.062 177.300 0.145 0.000 1.187 218 P CA -0.076 63.088 63.100 0.107 0.000 0.766 218 P CB 0.499 32.262 31.700 0.107 0.000 0.820 219 L N 3.450 124.753 121.223 0.132 0.000 2.372 219 L HA 0.361 4.699 4.340 -0.003 0.000 0.273 219 L C -0.593 176.327 176.870 0.084 0.000 0.989 219 L CA 0.008 54.932 54.840 0.140 0.000 0.841 219 L CB 1.113 43.249 42.059 0.128 0.000 1.225 219 L HN 0.191 nan 8.230 nan 0.000 0.414 220 T N 5.940 120.540 114.554 0.075 0.000 2.729 220 T HA 0.369 4.717 4.350 -0.003 0.000 0.296 220 T C -0.353 174.128 174.700 -0.365 0.000 0.928 220 T CA -0.020 62.041 62.100 -0.065 0.000 1.045 220 T CB 0.338 69.226 68.868 0.034 0.000 0.902 220 T HN 0.444 nan 8.240 nan 0.000 0.500 221 L N 4.373 125.446 121.223 -0.251 0.000 2.265 221 L HA 0.538 4.877 4.340 -0.003 0.000 0.288 221 L C 0.243 176.905 176.870 -0.347 0.000 1.058 221 L CA 0.019 54.690 54.840 -0.283 0.000 0.809 221 L CB 1.266 43.265 42.059 -0.099 0.000 1.179 221 L HN 0.524 nan 8.230 nan 0.000 0.429 222 S N 6.387 121.799 115.700 -0.479 0.000 2.420 222 S HA 0.536 5.005 4.470 -0.003 0.000 0.313 222 S C -0.158 174.351 174.600 -0.153 0.000 1.079 222 S CA -0.706 57.322 58.200 -0.286 0.000 1.104 222 S CB -0.031 63.017 63.200 -0.254 0.000 0.969 222 S HN 0.568 nan 8.310 nan 0.000 0.471 223 I N 4.433 124.909 120.570 -0.158 0.000 2.396 223 I HA 0.225 4.394 4.170 -0.003 0.000 0.289 223 I C 0.149 176.125 176.117 -0.234 0.000 1.056 223 I CA -0.322 60.781 61.300 -0.328 0.000 1.365 223 I CB 0.839 38.502 38.000 -0.563 0.000 1.407 223 I HN 0.632 nan 8.210 nan 0.000 0.509 224 C N 8.152 127.351 119.300 -0.168 0.000 2.621 224 C HA 0.342 4.800 4.460 -0.003 0.000 0.272 224 C C 0.797 175.637 174.990 -0.249 0.000 1.119 224 C CA -0.515 58.474 59.018 -0.048 0.000 1.593 224 C CB -1.123 26.705 27.740 0.147 0.000 1.749 224 C HN 0.889 nan 8.230 nan 0.000 0.420 225 N N 1.964 120.365 118.700 -0.499 0.000 2.241 225 N HA 0.064 4.802 4.740 -0.003 0.000 0.238 225 N C 0.362 175.392 175.510 -0.800 0.000 1.244 225 N CA -0.141 52.301 53.050 -1.014 0.000 0.880 225 N CB 0.095 37.959 38.487 -1.037 0.000 1.179 225 N HN 0.806 nan 8.380 nan 0.000 0.513 226 W N 0.008 121.247 121.300 -0.103 0.000 2.829 226 W HA -0.176 4.482 4.660 -0.003 0.000 0.293 226 W C 1.039 177.606 176.519 0.080 0.000 1.133 226 W CA 0.367 57.670 57.345 -0.069 0.000 0.572 226 W CB -2.437 26.866 29.460 -0.261 0.000 2.175 226 W HN 0.505 nan 8.180 nan 0.000 1.311 227 G N -1.607 107.303 108.800 0.184 0.000 2.162 227 G HA2 -0.337 3.622 3.960 -0.003 0.000 0.260 227 G HA3 -0.337 3.622 3.960 -0.003 0.000 0.260 227 G C -0.005 174.990 174.900 0.159 0.000 0.976 227 G CA 0.329 45.541 45.100 0.187 0.000 0.655 227 G HN 0.272 nan 8.290 nan 0.000 0.533 228 Y N 0.581 120.847 120.300 -0.057 0.000 2.425 228 Y HA 0.396 4.944 4.550 -0.003 0.000 0.331 228 Y C 1.737 177.538 175.900 -0.166 0.000 1.157 228 Y CA 0.255 58.333 58.100 -0.036 0.000 1.372 228 Y CB 0.495 39.005 38.460 0.085 0.000 1.253 228 Y HN 0.530 nan 8.280 nan 0.000 0.536 229 Q N 1.166 120.955 119.800 -0.018 0.000 2.480 229 Q HA -0.344 3.995 4.340 -0.003 0.000 0.265 229 Q C -0.611 175.267 176.000 -0.203 0.000 1.072 229 Q CA 0.655 56.419 55.803 -0.065 0.000 1.018 229 Q CB -1.484 27.254 28.738 0.000 0.000 1.433 229 Q HN 0.830 nan 8.270 nan 0.000 0.513 230 N N -1.787 116.533 118.700 -0.634 0.000 2.681 230 N HA -0.157 4.581 4.740 -0.003 0.000 0.259 230 N C -1.916 172.566 175.510 -1.713 0.000 1.066 230 N CA 1.136 53.254 53.050 -1.553 0.000 0.717 230 N CB -0.630 37.229 38.487 -1.047 0.000 0.885 230 N HN 0.351 nan 8.380 nan 0.000 0.547 231 P HA -0.151 nan 4.420 nan 0.000 0.222 231 P C 1.434 177.507 177.300 -2.043 0.000 1.147 231 P CA 1.229 63.004 63.100 -2.209 0.000 0.790 231 P CB -0.234 30.591 31.700 -1.457 0.000 0.780 232 W N 0.713 121.320 121.300 -1.154 0.000 2.387 232 W HA -0.080 4.578 4.660 -0.003 0.000 0.272 232 W C 1.400 177.417 176.519 -0.837 0.000 1.224 232 W CA 0.617 57.394 57.345 -0.947 0.000 1.210 232 W CB -2.318 26.727 29.460 -0.693 0.000 1.125 232 W HN -0.130 nan 8.180 nan 0.000 0.572 233 N N 0.072 118.230 118.700 -0.903 0.000 2.331 233 N HA -0.099 4.639 4.740 -0.003 0.000 0.180 233 N C 1.357 176.620 175.510 -0.413 0.000 1.019 233 N CA 1.811 54.563 53.050 -0.497 0.000 0.881 233 N CB -0.685 37.597 38.487 -0.341 0.000 0.972 233 N HN 0.734 nan 8.380 nan 0.000 0.435 234 W N -2.313 118.643 121.300 -0.573 0.000 2.199 234 W HA 0.532 5.191 4.660 -0.003 0.000 0.264 234 W C 0.908 177.069 176.519 -0.598 0.000 0.923 234 W CA -0.015 57.032 57.345 -0.496 0.000 1.221 234 W CB -0.294 28.925 29.460 -0.402 0.000 0.974 234 W HN -0.106 nan 8.180 nan 0.000 0.562 235 A N 2.001 124.139 122.820 -1.136 0.000 2.016 235 A HA 0.409 4.728 4.320 -0.003 0.000 0.217 235 A C 1.470 178.530 177.584 -0.874 0.000 1.162 235 A CA 1.045 52.465 52.037 -1.027 0.000 0.662 235 A CB -0.961 17.094 19.000 -1.575 0.000 0.812 235 A HN 0.174 nan 8.150 nan 0.000 0.450 236 A N -1.070 121.078 122.820 -1.121 0.000 2.520 236 A HA 0.441 4.759 4.320 -0.003 0.000 0.245 236 A C 1.643 178.658 177.584 -0.948 0.000 1.072 236 A CA 0.700 52.149 52.037 -0.980 0.000 0.761 236 A CB -0.624 17.926 19.000 -0.750 0.000 1.004 236 A HN 1.989 nan 8.150 nan 0.000 0.499 237 G N 1.356 109.307 108.800 -1.415 0.000 2.317 237 G HA2 -0.304 3.654 3.960 -0.003 0.000 0.227 237 G HA3 -0.304 3.654 3.960 -0.003 0.000 0.227 237 G C 0.968 175.724 174.900 -0.239 0.000 1.042 237 G CA 0.733 45.450 45.100 -0.640 0.000 0.623 237 G HN 0.723 nan 8.290 nan 0.000 0.509 238 Q N 0.171 119.838 119.800 -0.221 0.000 2.163 238 Q HA 0.551 4.889 4.340 -0.003 0.000 0.198 238 Q C 1.117 177.117 176.000 -0.000 0.000 0.954 238 Q CA 1.240 57.003 55.803 -0.066 0.000 0.851 238 Q CB 0.391 29.115 28.738 -0.023 0.000 0.928 238 Q HN 1.163 nan 8.270 nan 0.000 0.459 239 A N 0.181 123.014 122.820 0.022 0.000 2.604 239 A HA 0.394 4.712 4.320 -0.003 0.000 0.295 239 A C -2.409 175.351 177.584 0.293 0.000 1.067 239 A CA -1.151 50.957 52.037 0.118 0.000 0.683 239 A CB 0.925 19.957 19.000 0.054 0.000 1.281 239 A HN -0.170 nan 8.150 nan 0.000 0.407 240 P HA 0.119 nan 4.420 nan 0.000 0.233 240 P C 0.021 177.434 177.300 0.189 0.000 1.167 240 P CA 0.817 64.095 63.100 0.297 0.000 0.770 240 P CB -0.334 31.474 31.700 0.181 0.000 0.837 241 L N -3.386 117.888 121.223 0.086 0.000 2.506 241 L HA 0.781 5.120 4.340 -0.003 0.000 0.257 241 L C -2.050 174.791 176.870 -0.047 0.000 0.964 241 L CA -1.353 53.392 54.840 -0.157 0.000 0.836 241 L CB 1.649 43.628 42.059 -0.134 0.000 1.384 241 L HN -0.121 nan 8.230 nan 0.000 0.410 242 W N 0.581 121.790 121.300 -0.152 0.000 3.097 242 W HA 0.695 5.354 4.660 -0.003 0.000 0.335 242 W C -0.911 175.505 176.519 -0.172 0.000 1.114 242 W CA -0.984 56.204 57.345 -0.262 0.000 1.231 242 W CB 0.889 30.082 29.460 -0.444 0.000 1.388 242 W HN 0.437 nan 8.180 nan 0.000 0.485 243 R N 2.073 122.560 120.500 -0.022 0.000 2.537 243 R HA 0.148 4.486 4.340 -0.003 0.000 0.280 243 R C 0.972 177.342 176.300 0.116 0.000 1.058 243 R CA 0.806 56.921 56.100 0.025 0.000 1.057 243 R CB 1.017 31.372 30.300 0.090 0.000 0.973 243 R HN 0.829 nan 8.270 nan 0.000 0.438 244 T N -2.635 112.006 114.554 0.145 0.000 3.023 244 T HA 0.088 4.436 4.350 -0.003 0.000 0.253 244 T C 0.750 175.640 174.700 0.318 0.000 1.038 244 T CA -0.017 62.263 62.100 0.300 0.000 0.962 244 T CB 0.178 69.179 68.868 0.223 0.000 1.018 244 T HN 0.568 nan 8.240 nan 0.000 0.521 245 S N 0.708 116.556 115.700 0.248 0.000 2.672 245 S HA 0.587 5.055 4.470 -0.003 0.000 0.271 245 S C -0.170 174.591 174.600 0.268 0.000 1.171 245 S CA -0.516 57.842 58.200 0.264 0.000 0.817 245 S CB 1.002 64.314 63.200 0.186 0.000 1.150 245 S HN 0.458 nan 8.310 nan 0.000 0.478 246 T N -0.328 114.372 114.554 0.244 0.000 2.667 246 T HA 0.362 4.710 4.350 -0.003 0.000 0.305 246 T C -0.442 174.318 174.700 0.099 0.000 1.022 246 T CA -0.238 61.948 62.100 0.143 0.000 0.995 246 T CB -0.582 68.385 68.868 0.165 0.000 1.026 246 T HN 0.599 nan 8.240 nan 0.000 0.527 247 D N 0.008 120.384 120.400 -0.040 0.000 2.414 247 D HA 0.117 4.755 4.640 -0.003 0.000 0.242 247 D C 1.185 177.429 176.300 -0.094 0.000 1.129 247 D CA -0.266 53.604 54.000 -0.217 0.000 0.885 247 D CB 0.571 40.911 40.800 -0.766 0.000 1.198 247 D HN 0.578 nan 8.370 nan 0.000 0.437 248 I N 1.618 122.185 120.570 -0.005 0.000 2.361 248 I HA -0.048 4.120 4.170 -0.003 0.000 0.251 248 I C 0.608 176.726 176.117 0.002 0.000 1.133 248 I CA 1.047 62.385 61.300 0.063 0.000 1.413 248 I CB 0.294 38.372 38.000 0.129 0.000 1.073 248 I HN 0.330 nan 8.210 nan 0.000 0.424 249 I N -1.110 119.402 120.570 -0.095 0.000 2.752 249 I HA 0.265 4.433 4.170 -0.003 0.000 0.295 249 I C -1.602 174.401 176.117 -0.190 0.000 1.219 249 I CA -0.832 60.424 61.300 -0.074 0.000 1.030 249 I CB 1.770 39.720 38.000 -0.084 0.000 1.259 249 I HN -0.202 nan 8.210 nan 0.000 0.423 250 Y N 5.283 125.619 120.300 0.060 0.000 2.420 250 Y HA 0.292 4.841 4.550 -0.003 0.000 0.334 250 Y C -0.401 175.553 175.900 0.089 0.000 1.094 250 Y CA -0.147 58.016 58.100 0.105 0.000 1.126 250 Y CB 1.090 39.594 38.460 0.073 0.000 1.217 250 Y HN 0.433 nan 8.280 nan 0.000 0.462 251 Y N 2.386 122.764 120.300 0.130 0.000 2.910 251 Y HA 0.126 4.675 4.550 -0.003 0.000 0.358 251 Y C 1.162 177.068 175.900 0.010 0.000 1.293 251 Y CA 1.543 59.641 58.100 -0.002 0.000 1.630 251 Y CB -0.266 38.222 38.460 0.045 0.000 1.178 251 Y HN 0.843 nan 8.280 nan 0.000 0.550 252 G N 3.405 111.975 108.800 -0.384 0.000 2.195 252 G HA2 -0.302 3.656 3.960 -0.003 0.000 0.246 252 G HA3 -0.302 3.656 3.960 -0.003 0.000 0.246 252 G C 0.163 174.967 174.900 -0.160 0.000 0.984 252 G CA 0.084 44.965 45.100 -0.365 0.000 0.633 252 G HN 0.651 nan 8.290 nan 0.000 0.525 253 N N 0.712 119.368 118.700 -0.073 0.000 2.476 253 N HA 0.524 5.262 4.740 -0.003 0.000 0.275 253 N C 0.182 175.657 175.510 -0.058 0.000 1.190 253 N CA -0.281 52.751 53.050 -0.031 0.000 0.977 253 N CB 0.586 39.098 38.487 0.042 0.000 1.200 253 N HN 0.219 nan 8.380 nan 0.000 0.515 254 Q N 0.623 120.400 119.800 -0.039 0.000 2.227 254 Q HA 0.454 4.792 4.340 -0.003 0.000 0.245 254 Q C -2.081 173.890 176.000 -0.048 0.000 0.926 254 Q CA -1.646 54.128 55.803 -0.048 0.000 0.895 254 Q CB -0.004 28.723 28.738 -0.019 0.000 1.230 254 Q HN 0.310 nan 8.270 nan 0.000 0.450 255 P HA 0.000 nan 4.420 nan 0.000 0.265 255 P C -0.710 176.607 177.300 0.028 0.000 1.193 255 P CA 0.303 63.271 63.100 -0.220 0.000 0.765 255 P CB 0.577 31.907 31.700 -0.616 0.000 0.823 256 S N 3.166 118.910 115.700 0.072 0.000 2.561 256 S HA 0.329 4.797 4.470 -0.003 0.000 0.303 256 S C 1.072 175.823 174.600 0.251 0.000 1.110 256 S CA -0.666 57.644 58.200 0.185 0.000 1.034 256 S CB 0.386 63.649 63.200 0.105 0.000 1.010 256 S HN 0.158 nan 8.310 nan 0.000 0.482 257 M N 3.243 122.993 119.600 0.250 0.000 2.213 257 M HA -0.047 4.431 4.480 -0.003 0.000 0.263 257 M C 1.946 178.303 176.300 0.095 0.000 1.062 257 M CA 1.572 56.951 55.300 0.131 0.000 1.105 257 M CB -1.892 30.686 32.600 -0.037 0.000 1.385 257 M HN 0.727 nan 8.290 nan 0.000 0.417 258 T N 0.013 114.622 114.554 0.092 0.000 2.684 258 T HA -0.138 4.210 4.350 -0.003 0.000 0.267 258 T C 2.064 176.830 174.700 0.110 0.000 1.036 258 T CA 2.019 64.174 62.100 0.092 0.000 1.148 258 T CB -0.310 68.607 68.868 0.082 0.000 0.863 258 T HN 0.422 nan 8.240 nan 0.000 0.436 259 S N 0.793 116.561 115.700 0.114 0.000 2.356 259 S HA -0.033 4.435 4.470 -0.003 0.000 0.223 259 S C 2.037 176.725 174.600 0.147 0.000 1.032 259 S CA 1.096 59.371 58.200 0.125 0.000 1.005 259 S CB -0.568 62.701 63.200 0.115 0.000 0.867 259 S HN 0.480 nan 8.310 nan 0.000 0.449 260 L N 0.905 122.204 121.223 0.127 0.000 2.012 260 L HA -0.103 4.235 4.340 -0.003 0.000 0.210 260 L C 2.278 179.305 176.870 0.261 0.000 1.073 260 L CA 1.744 56.667 54.840 0.139 0.000 0.748 260 L CB -0.345 41.690 42.059 -0.040 0.000 0.891 260 L HN 0.394 nan 8.230 nan 0.000 0.431 261 L N -0.956 120.379 121.223 0.186 0.000 2.093 261 L HA -0.206 4.132 4.340 -0.003 0.000 0.208 261 L C 2.810 179.818 176.870 0.230 0.000 1.085 261 L CA 1.312 56.284 54.840 0.220 0.000 0.755 261 L CB -0.636 41.512 42.059 0.148 0.000 0.904 261 L HN 0.342 nan 8.230 nan 0.000 0.435 262 S N 0.306 116.108 115.700 0.171 0.000 2.356 262 S HA -0.188 4.281 4.470 -0.003 0.000 0.223 262 S C 1.793 176.465 174.600 0.119 0.000 1.032 262 S CA 1.851 60.128 58.200 0.129 0.000 1.005 262 S CB -0.186 63.083 63.200 0.115 0.000 0.867 262 S HN 0.429 nan 8.310 nan 0.000 0.449 263 N N 0.417 119.221 118.700 0.173 0.000 2.188 263 N HA -0.010 4.729 4.740 -0.003 0.000 0.184 263 N C 1.340 176.869 175.510 0.032 0.000 1.018 263 N CA 1.253 54.389 53.050 0.144 0.000 0.858 263 N CB -0.622 38.020 38.487 0.258 0.000 0.989 263 N HN 0.523 nan 8.380 nan 0.000 0.426 264 F N 1.914 121.833 119.950 -0.051 0.000 2.075 264 F HA -0.169 4.357 4.527 -0.003 0.000 0.297 264 F C 1.736 177.424 175.800 -0.187 0.000 1.113 264 F CA 1.472 59.345 58.000 -0.212 0.000 1.218 264 F CB -0.368 38.584 39.000 -0.079 0.000 0.984 264 F HN -0.049 nan 8.300 nan 0.000 0.472 265 D N 0.083 120.372 120.400 -0.184 0.000 2.123 265 D HA -0.211 4.428 4.640 -0.003 0.000 0.196 265 D C 2.139 178.215 176.300 -0.374 0.000 0.992 265 D CA 1.549 55.379 54.000 -0.283 0.000 0.833 265 D CB -0.501 40.270 40.800 -0.047 0.000 0.954 265 D HN 0.522 nan 8.370 nan 0.000 0.455 266 Q N -0.625 119.023 119.800 -0.252 0.000 2.435 266 Q HA -0.012 4.327 4.340 -0.003 0.000 0.207 266 Q C 1.610 177.437 176.000 -0.288 0.000 0.956 266 Q CA 0.646 56.309 55.803 -0.233 0.000 0.917 266 Q CB 0.210 28.921 28.738 -0.045 0.000 0.997 266 Q HN 0.079 nan 8.270 nan 0.000 0.497 267 T N 0.037 114.362 114.554 -0.381 0.000 3.065 267 T HA 0.167 4.515 4.350 -0.003 0.000 0.252 267 T C 0.385 174.824 174.700 -0.434 0.000 1.099 267 T CA -0.124 61.786 62.100 -0.317 0.000 1.063 267 T CB 0.181 68.819 68.868 -0.382 0.000 0.948 267 T HN 0.090 nan 8.240 nan 0.000 0.506 268 L N 3.362 124.141 121.223 -0.739 0.000 2.385 268 L HA 0.286 4.624 4.340 -0.003 0.000 0.285 268 L C -0.229 176.045 176.870 -0.993 0.000 1.125 268 L CA 0.041 54.458 54.840 -0.705 0.000 0.890 268 L CB -0.022 41.662 42.059 -0.625 0.000 1.251 268 L HN 0.254 nan 8.230 nan 0.000 0.445 269 H N 4.011 122.876 119.070 -0.342 0.000 2.538 269 H HA 0.171 4.726 4.556 -0.003 0.000 0.239 269 H C -1.909 173.340 175.328 -0.132 0.000 1.401 269 H CA -1.295 54.561 56.048 -0.319 0.000 1.499 269 H CB 1.245 30.758 29.762 -0.417 0.000 1.624 269 H HN 0.398 nan 8.280 nan 0.000 0.524 270 P HA -0.107 nan 4.420 nan 0.000 0.225 270 P C 1.515 178.851 177.300 0.060 0.000 1.156 270 P CA 0.964 64.062 63.100 -0.003 0.000 0.787 270 P CB 0.084 31.772 31.700 -0.020 0.000 0.802 271 T N -3.416 111.180 114.554 0.070 0.000 3.055 271 T HA 0.186 4.534 4.350 -0.003 0.000 0.265 271 T C 1.887 176.702 174.700 0.193 0.000 1.111 271 T CA 0.826 62.993 62.100 0.111 0.000 1.118 271 T CB -0.629 68.278 68.868 0.066 0.000 0.909 271 T HN 0.000 nan 8.240 nan 0.000 0.501 272 A N 0.581 123.484 122.820 0.138 0.000 2.030 272 A HA 0.272 4.590 4.320 -0.003 0.000 0.215 272 A C 1.393 178.959 177.584 -0.030 0.000 1.164 272 A CA 0.021 52.105 52.037 0.080 0.000 0.697 272 A CB -0.231 18.846 19.000 0.129 0.000 0.827 272 A HN 0.629 nan 8.150 nan 0.000 0.457 273 Q N 1.050 120.851 119.800 0.001 0.000 2.278 273 Q HA 0.485 4.823 4.340 -0.003 0.000 0.257 273 Q C -1.029 174.817 176.000 -0.256 0.000 0.928 273 Q CA -0.566 55.133 55.803 -0.173 0.000 0.932 273 Q CB 0.369 29.032 28.738 -0.124 0.000 1.221 273 Q HN 0.756 nan 8.270 nan 0.000 0.434 274 H N 0.384 119.376 119.070 -0.130 0.000 2.919 274 H HA 0.055 4.610 4.556 -0.003 0.000 0.270 274 H C -0.787 174.378 175.328 -0.272 0.000 1.412 274 H CA -0.193 55.747 56.048 -0.180 0.000 1.261 274 H CB 0.030 29.736 29.762 -0.093 0.000 1.850 274 H HN 0.746 nan 8.280 nan 0.000 0.478 275 T N -1.702 112.768 114.554 -0.141 0.000 3.795 275 T HA -0.180 4.169 4.350 -0.003 0.000 0.370 275 T C 1.291 175.656 174.700 -0.559 0.000 0.761 275 T CA 2.235 64.166 62.100 -0.281 0.000 1.923 275 T CB -2.403 66.311 68.868 -0.258 0.000 1.795 275 T HN 2.381 nan 8.240 nan 0.000 0.762 276 G N -0.804 107.696 108.800 -0.500 0.000 2.176 276 G HA2 -0.230 3.728 3.960 -0.003 0.000 0.253 276 G HA3 -0.230 3.728 3.960 -0.003 0.000 0.253 276 G C -0.228 174.396 174.900 -0.460 0.000 0.979 276 G CA 0.116 44.990 45.100 -0.376 0.000 0.641 276 G HN 1.037 nan 8.290 nan 0.000 0.530 277 Y N -0.114 119.932 120.300 -0.423 0.000 2.331 277 Y HA 0.729 5.277 4.550 -0.003 0.000 0.338 277 Y C 0.052 175.549 175.900 -0.671 0.000 0.992 277 Y CA -1.742 56.206 58.100 -0.253 0.000 1.121 277 Y CB 0.967 39.405 38.460 -0.037 0.000 1.184 277 Y HN 0.167 nan 8.280 nan 0.000 0.469 278 Y N 1.454 121.491 120.300 -0.437 0.000 2.425 278 Y HA 0.336 4.884 4.550 -0.003 0.000 0.344 278 Y C 0.085 175.090 175.900 -1.491 0.000 0.969 278 Y CA -1.395 56.284 58.100 -0.702 0.000 1.052 278 Y CB 1.473 39.685 38.460 -0.413 0.000 1.215 278 Y HN 0.551 nan 8.280 nan 0.000 0.451 279 N N 2.158 120.321 118.700 -0.895 0.000 2.492 279 N HA -0.014 4.725 4.740 -0.003 0.000 0.262 279 N C -1.089 174.075 175.510 -0.577 0.000 1.202 279 N CA 0.387 52.929 53.050 -0.848 0.000 0.926 279 N CB 0.839 39.154 38.487 -0.287 0.000 1.078 279 N HN 0.634 nan 8.380 nan 0.000 0.454 280 D N 1.776 121.864 120.400 -0.521 0.000 2.454 280 D HA 0.236 4.874 4.640 -0.003 0.000 0.247 280 D C -1.984 174.204 176.300 -0.187 0.000 1.129 280 D CA -2.074 51.745 54.000 -0.301 0.000 0.877 280 D CB 1.374 42.035 40.800 -0.230 0.000 1.082 280 D HN 0.235 nan 8.370 nan 0.000 0.537 281 P HA 0.132 nan 4.420 nan 0.000 0.249 281 P C -0.455 176.939 177.300 0.156 0.000 1.241 281 P CA 0.145 63.109 63.100 -0.226 0.000 0.781 281 P CB 0.330 31.540 31.700 -0.817 0.000 1.088 282 D N -1.462 119.070 120.400 0.219 0.000 10.518 282 D HA -0.087 4.551 4.640 -0.003 0.000 0.346 282 D C -0.372 176.184 176.300 0.426 0.000 3.133 282 D CA -0.145 54.030 54.000 0.292 0.000 2.615 282 D CB -0.952 39.996 40.800 0.247 0.000 1.262 282 D HN -0.125 nan 8.370 nan 0.000 0.953 283 M N 1.005 120.751 119.600 0.244 0.000 2.248 283 M HA 0.217 4.695 4.480 -0.003 0.000 0.337 283 M C 0.384 176.729 176.300 0.075 0.000 1.121 283 M CA -0.016 55.373 55.300 0.148 0.000 1.155 283 M CB 0.262 32.899 32.600 0.060 0.000 1.514 283 M HN 0.207 nan 8.290 nan 0.000 0.452 284 L N 3.376 124.551 121.223 -0.080 0.000 2.456 284 L HA 0.022 4.360 4.340 -0.003 0.000 0.272 284 L C 0.995 177.724 176.870 -0.235 0.000 1.189 284 L CA 0.346 54.959 54.840 -0.378 0.000 0.846 284 L CB 0.321 42.091 42.059 -0.481 0.000 1.111 284 L HN 0.844 nan 8.230 nan 0.000 0.475 285 M N 2.028 121.517 119.600 -0.184 0.000 2.371 285 M HA 0.105 4.583 4.480 -0.003 0.000 0.246 285 M C -0.059 176.088 176.300 -0.255 0.000 1.103 285 M CA -0.208 54.947 55.300 -0.241 0.000 1.010 285 M CB 0.480 32.833 32.600 -0.412 0.000 1.457 285 M HN 0.312 nan 8.290 nan 0.000 0.486 286 V N 1.974 121.735 119.914 -0.255 0.000 2.584 286 V HA -0.004 4.114 4.120 -0.003 0.000 0.303 286 V C 1.408 177.457 176.094 -0.076 0.000 1.035 286 V CA 1.669 63.898 62.300 -0.119 0.000 1.172 286 V CB -0.184 31.517 31.823 -0.203 0.000 0.896 286 V HN 0.882 nan 8.190 nan 0.000 0.486 287 G N 4.034 112.830 108.800 -0.008 0.000 2.179 287 G HA2 -0.265 3.693 3.960 -0.003 0.000 0.260 287 G HA3 -0.265 3.693 3.960 -0.003 0.000 0.260 287 G C 0.162 175.038 174.900 -0.041 0.000 0.977 287 G CA 0.280 45.369 45.100 -0.018 0.000 0.641 287 G HN 0.561 nan 8.290 nan 0.000 0.533 288 M N 1.165 120.710 119.600 -0.092 0.000 2.241 288 M HA 0.285 4.763 4.480 -0.003 0.000 0.335 288 M C -0.047 176.204 176.300 -0.081 0.000 1.122 288 M CA -0.503 54.719 55.300 -0.130 0.000 1.164 288 M CB 0.266 32.731 32.600 -0.226 0.000 1.459 288 M HN 0.004 nan 8.290 nan 0.000 0.461 289 D N 1.700 122.051 120.400 -0.081 0.000 2.487 289 D HA 0.215 4.853 4.640 -0.003 0.000 0.243 289 D C 1.051 177.348 176.300 -0.006 0.000 1.154 289 D CA 1.446 55.420 54.000 -0.042 0.000 0.876 289 D CB 0.597 41.360 40.800 -0.061 0.000 1.161 289 D HN 0.866 nan 8.370 nan 0.000 0.478 290 G N 1.783 110.609 108.800 0.043 0.000 2.284 290 G HA2 -0.253 3.705 3.960 -0.003 0.000 0.216 290 G HA3 -0.253 3.705 3.960 -0.003 0.000 0.216 290 G C 0.209 175.237 174.900 0.212 0.000 1.009 290 G CA -0.588 44.568 45.100 0.094 0.000 0.625 290 G HN 0.396 nan 8.290 nan 0.000 0.501 291 F N 3.705 123.622 119.950 -0.054 0.000 2.467 291 F HA 0.540 5.066 4.527 -0.003 0.000 0.362 291 F C 1.593 177.354 175.800 -0.065 0.000 1.090 291 F CA -0.132 57.833 58.000 -0.059 0.000 1.202 291 F CB 1.046 40.014 39.000 -0.054 0.000 1.113 291 F HN 0.292 nan 8.300 nan 0.000 0.541 292 T N 0.538 115.048 114.554 -0.073 0.000 2.816 292 T HA 0.489 4.837 4.350 -0.003 0.000 0.282 292 T C 1.273 175.905 174.700 -0.115 0.000 0.993 292 T CA -0.273 61.770 62.100 -0.095 0.000 0.994 292 T CB 1.144 69.927 68.868 -0.140 0.000 1.025 292 T HN 0.604 nan 8.240 nan 0.000 0.529 293 A N 0.882 123.633 122.820 -0.116 0.000 1.908 293 A HA 0.131 4.450 4.320 -0.003 0.000 0.218 293 A C 2.654 180.096 177.584 -0.238 0.000 1.181 293 A CA 1.976 53.922 52.037 -0.152 0.000 0.627 293 A CB -1.596 17.321 19.000 -0.139 0.000 0.818 293 A HN 1.245 nan 8.150 nan 0.000 0.445 294 A N -0.766 121.911 122.820 -0.238 0.000 1.902 294 A HA -0.208 4.110 4.320 -0.003 0.000 0.217 294 A C 2.117 179.519 177.584 -0.303 0.000 1.181 294 A CA 1.659 53.529 52.037 -0.279 0.000 0.623 294 A CB -0.568 18.301 19.000 -0.218 0.000 0.818 294 A HN 0.656 nan 8.150 nan 0.000 0.443 295 Q N -0.336 119.255 119.800 -0.348 0.000 2.124 295 Q HA -0.155 4.183 4.340 -0.003 0.000 0.202 295 Q C 1.828 177.645 176.000 -0.306 0.000 0.977 295 Q CA 1.311 56.803 55.803 -0.520 0.000 0.850 295 Q CB -0.218 27.885 28.738 -1.058 0.000 0.901 295 Q HN 0.618 nan 8.270 nan 0.000 0.429 296 N N 0.810 119.427 118.700 -0.137 0.000 2.069 296 N HA -0.142 4.596 4.740 -0.003 0.000 0.191 296 N C 1.645 177.108 175.510 -0.079 0.000 1.031 296 N CA 1.236 54.297 53.050 0.018 0.000 0.852 296 N CB -0.192 38.291 38.487 -0.007 0.000 1.018 296 N HN 0.229 nan 8.380 nan 0.000 0.423 297 R N 0.072 120.392 120.500 -0.299 0.000 2.073 297 R HA -0.022 4.317 4.340 -0.003 0.000 0.234 297 R C 2.150 178.371 176.300 -0.133 0.000 1.134 297 R CA 1.565 57.377 56.100 -0.479 0.000 0.952 297 R CB -0.665 28.924 30.300 -1.185 0.000 0.850 297 R HN 0.205 nan 8.270 nan 0.000 0.433 298 T N 0.170 114.634 114.554 -0.150 0.000 2.720 298 T HA -0.202 4.146 4.350 -0.003 0.000 0.268 298 T C 1.623 176.338 174.700 0.026 0.000 1.037 298 T CA 1.490 63.550 62.100 -0.066 0.000 1.144 298 T CB -0.395 68.391 68.868 -0.137 0.000 0.864 298 T HN 0.316 nan 8.240 nan 0.000 0.444 299 H N 0.982 120.003 119.070 -0.081 0.000 2.319 299 H HA 0.007 4.561 4.556 -0.003 0.000 0.299 299 H C 2.179 177.468 175.328 -0.064 0.000 1.092 299 H CA 1.399 57.372 56.048 -0.124 0.000 1.302 299 H CB -0.349 29.339 29.762 -0.124 0.000 1.373 299 H HN 0.189 nan 8.280 nan 0.000 0.497 300 M N 0.336 120.037 119.600 0.168 0.000 2.117 300 M HA -0.146 4.332 4.480 -0.003 0.000 0.262 300 M C 1.943 178.414 176.300 0.285 0.000 1.065 300 M CA 0.969 56.398 55.300 0.214 0.000 1.114 300 M CB -0.975 31.821 32.600 0.328 0.000 1.361 300 M HN 0.260 nan 8.290 nan 0.000 0.408 301 N N 0.802 119.669 118.700 0.280 0.000 2.069 301 N HA -0.092 4.646 4.740 -0.003 0.000 0.191 301 N C 1.920 177.513 175.510 0.140 0.000 1.031 301 N CA 1.256 54.443 53.050 0.228 0.000 0.852 301 N CB -0.540 38.069 38.487 0.203 0.000 1.018 301 N HN 0.364 nan 8.380 nan 0.000 0.423 302 L N -0.972 120.309 121.223 0.095 0.000 2.109 302 L HA -0.052 4.286 4.340 -0.003 0.000 0.207 302 L C 2.419 179.460 176.870 0.286 0.000 1.086 302 L CA 0.715 55.496 54.840 -0.097 0.000 0.760 302 L CB -0.314 41.474 42.059 -0.453 0.000 0.910 302 L HN 0.308 nan 8.230 nan 0.000 0.437 303 W N 0.204 121.552 121.300 0.080 0.000 2.358 303 W HA -0.204 4.454 4.660 -0.003 0.000 0.303 303 W C 2.632 179.199 176.519 0.079 0.000 1.208 303 W CA 0.756 58.177 57.345 0.126 0.000 1.274 303 W CB -0.057 29.479 29.460 0.126 0.000 1.138 303 W HN 0.191 nan 8.180 nan 0.000 0.515 304 A N 0.222 123.209 122.820 0.277 0.000 1.902 304 A HA -0.217 4.101 4.320 -0.003 0.000 0.217 304 A C 1.770 179.419 177.584 0.109 0.000 1.181 304 A CA 1.601 53.725 52.037 0.144 0.000 0.623 304 A CB -0.880 18.187 19.000 0.111 0.000 0.818 304 A HN 0.205 nan 8.150 nan 0.000 0.443 305 I N -0.675 119.971 120.570 0.126 0.000 2.493 305 I HA -0.114 4.055 4.170 -0.003 0.000 0.254 305 I C 2.546 178.737 176.117 0.124 0.000 1.160 305 I CA 1.589 62.962 61.300 0.121 0.000 1.445 305 I CB -0.112 37.966 38.000 0.130 0.000 1.086 305 I HN 0.282 nan 8.210 nan 0.000 0.433 306 S N 0.056 115.831 115.700 0.125 0.000 2.436 306 S HA 0.059 4.528 4.470 -0.003 0.000 0.228 306 S C 1.647 176.265 174.600 0.030 0.000 1.014 306 S CA 0.857 59.078 58.200 0.035 0.000 0.950 306 S CB -0.513 62.647 63.200 -0.068 0.000 0.784 306 S HN 0.735 nan 8.310 nan 0.000 0.504 307 G N 0.686 109.509 108.800 0.039 0.000 2.160 307 G HA2 -0.126 3.833 3.960 -0.003 0.000 0.244 307 G HA3 -0.126 3.833 3.960 -0.003 0.000 0.244 307 G C 0.167 175.003 174.900 -0.106 0.000 1.022 307 G CA 0.270 45.381 45.100 0.018 0.000 0.741 307 G HN 1.021 nan 8.290 nan 0.000 0.508 308 A N 0.181 122.939 122.820 -0.104 0.000 2.406 308 A HA 0.674 4.993 4.320 -0.003 0.000 0.243 308 A C -1.208 176.301 177.584 -0.126 0.000 1.082 308 A CA -0.595 51.332 52.037 -0.183 0.000 0.786 308 A CB 0.172 18.947 19.000 -0.375 0.000 1.029 308 A HN 0.227 nan 8.150 nan 0.000 0.495 309 P HA 0.137 nan 4.420 nan 0.000 0.265 309 P C -0.917 176.468 177.300 0.141 0.000 1.187 309 P CA 0.493 63.571 63.100 -0.036 0.000 0.766 309 P CB 0.217 31.918 31.700 0.001 0.000 0.820 310 L N 3.809 125.099 121.223 0.112 0.000 2.371 310 L HA 0.342 4.681 4.340 -0.003 0.000 0.262 310 L C -0.149 176.869 176.870 0.246 0.000 1.054 310 L CA -0.152 54.803 54.840 0.192 0.000 0.924 310 L CB -0.066 42.073 42.059 0.135 0.000 1.295 310 L HN 0.208 nan 8.230 nan 0.000 0.441 311 L N 3.057 124.394 121.223 0.189 0.000 2.297 311 L HA 0.524 4.863 4.340 -0.003 0.000 0.277 311 L C 0.809 177.732 176.870 0.088 0.000 1.040 311 L CA -0.377 54.553 54.840 0.151 0.000 0.867 311 L CB 1.372 43.465 42.059 0.058 0.000 1.244 311 L HN 0.574 nan 8.230 nan 0.000 0.433 312 A N 2.064 124.979 122.820 0.159 0.000 2.520 312 A HA 0.425 4.744 4.320 -0.003 0.000 0.235 312 A C 1.124 178.697 177.584 -0.018 0.000 1.065 312 A CA 0.621 52.715 52.037 0.095 0.000 0.764 312 A CB 0.338 19.441 19.000 0.172 0.000 1.002 312 A HN 0.874 nan 8.150 nan 0.000 0.502 313 G N 1.322 110.100 108.800 -0.036 0.000 3.443 313 G HA2 0.120 4.078 3.960 -0.003 0.000 0.252 313 G HA3 0.120 4.078 3.960 -0.003 0.000 0.252 313 G C 0.274 175.193 174.900 0.031 0.000 1.015 313 G CA 0.150 45.169 45.100 -0.134 0.000 0.891 313 G HN 0.875 nan 8.290 nan 0.000 0.510 314 N N 0.586 119.369 118.700 0.139 0.000 2.381 314 N HA 0.140 4.878 4.740 -0.003 0.000 0.254 314 N C -1.184 174.486 175.510 0.266 0.000 1.264 314 N CA -0.435 52.677 53.050 0.103 0.000 0.942 314 N CB 1.010 39.511 38.487 0.025 0.000 1.190 314 N HN -0.122 nan 8.380 nan 0.000 0.495 315 D N 0.289 120.746 120.400 0.096 0.000 2.352 315 D HA 0.104 4.743 4.640 -0.003 0.000 0.245 315 D C 1.017 177.363 176.300 0.078 0.000 1.224 315 D CA -0.288 53.791 54.000 0.131 0.000 0.879 315 D CB 0.202 40.992 40.800 -0.016 0.000 1.057 315 D HN 0.507 nan 8.370 nan 0.000 0.491 316 L N 2.872 124.118 121.223 0.038 0.000 2.291 316 L HA -0.103 4.235 4.340 -0.003 0.000 0.214 316 L C 2.400 179.237 176.870 -0.055 0.000 1.120 316 L CA 1.208 56.007 54.840 -0.068 0.000 0.799 316 L CB -0.549 41.385 42.059 -0.209 0.000 0.925 316 L HN 0.502 nan 8.230 nan 0.000 0.446 317 T N -4.329 110.211 114.554 -0.023 0.000 2.995 317 T HA -0.111 4.237 4.350 -0.003 0.000 0.269 317 T C 1.479 176.170 174.700 -0.015 0.000 1.091 317 T CA 1.354 63.443 62.100 -0.019 0.000 1.128 317 T CB -0.404 68.466 68.868 0.003 0.000 0.891 317 T HN 0.406 nan 8.240 nan 0.000 0.492 318 T N -1.352 113.196 114.554 -0.011 0.000 3.182 318 T HA 0.447 4.795 4.350 -0.003 0.000 0.277 318 T C 0.278 174.964 174.700 -0.024 0.000 1.013 318 T CA -0.690 61.400 62.100 -0.017 0.000 0.900 318 T CB -0.465 68.394 68.868 -0.016 0.000 1.098 318 T HN 0.426 nan 8.240 nan 0.000 0.543 319 M N 4.182 123.764 119.600 -0.030 0.000 2.238 319 M HA 0.253 4.731 4.480 -0.003 0.000 0.350 319 M C 0.575 176.853 176.300 -0.036 0.000 1.321 319 M CA -0.095 55.184 55.300 -0.037 0.000 1.097 319 M CB 0.747 33.315 32.600 -0.052 0.000 1.713 319 M HN 0.448 nan 8.290 nan 0.000 0.455 320 T N 1.474 116.009 114.554 -0.032 0.000 2.813 320 T HA 0.102 4.450 4.350 -0.003 0.000 0.297 320 T C 0.995 175.677 174.700 -0.030 0.000 1.036 320 T CA -0.203 61.880 62.100 -0.028 0.000 1.044 320 T CB 1.277 70.130 68.868 -0.025 0.000 0.993 320 T HN 0.824 nan 8.240 nan 0.000 0.535 321 S N -0.201 115.484 115.700 -0.024 0.000 2.368 321 S HA -0.171 4.297 4.470 -0.003 0.000 0.225 321 S C 1.928 176.520 174.600 -0.013 0.000 1.030 321 S CA 1.794 59.982 58.200 -0.020 0.000 0.999 321 S CB -0.693 62.498 63.200 -0.015 0.000 0.844 321 S HN 0.895 nan 8.310 nan 0.000 0.459 322 E N -0.359 119.833 120.200 -0.013 0.000 2.077 322 E HA -0.126 4.223 4.350 -0.003 0.000 0.193 322 E C 1.935 178.530 176.600 -0.008 0.000 0.989 322 E CA 1.686 58.081 56.400 -0.009 0.000 0.800 322 E CB -0.318 29.369 29.700 -0.021 0.000 0.746 322 E HN 0.517 nan 8.360 nan 0.000 0.452 323 T N 0.464 115.006 114.554 -0.021 0.000 2.708 323 T HA -0.162 4.187 4.350 -0.003 0.000 0.266 323 T C 1.839 176.525 174.700 -0.024 0.000 1.037 323 T CA 1.324 63.410 62.100 -0.023 0.000 1.146 323 T CB -0.382 68.468 68.868 -0.030 0.000 0.865 323 T HN 0.361 nan 8.240 nan 0.000 0.435 324 A N 1.376 124.174 122.820 -0.038 0.000 1.908 324 A HA 0.053 4.371 4.320 -0.003 0.000 0.218 324 A C 2.634 180.210 177.584 -0.013 0.000 1.181 324 A CA 1.954 53.956 52.037 -0.059 0.000 0.627 324 A CB -1.382 17.576 19.000 -0.070 0.000 0.818 324 A HN 0.523 nan 8.150 nan 0.000 0.445 325 G N -0.283 108.531 108.800 0.022 0.000 2.432 325 G HA2 -0.159 3.799 3.960 -0.003 0.000 0.219 325 G HA3 -0.159 3.799 3.960 -0.003 0.000 0.219 325 G C 1.500 176.497 174.900 0.162 0.000 1.135 325 G CA 1.108 46.252 45.100 0.073 0.000 0.767 325 G HN 0.494 nan 8.290 nan 0.000 0.550 326 I N 0.131 120.801 120.570 0.167 0.000 2.286 326 I HA -0.047 4.122 4.170 -0.003 0.000 0.245 326 I C 2.612 178.901 176.117 0.287 0.000 1.104 326 I CA 0.503 61.986 61.300 0.306 0.000 1.397 326 I CB -0.115 37.934 38.000 0.083 0.000 1.072 326 I HN 0.103 nan 8.210 nan 0.000 0.417 327 L N 0.401 121.701 121.223 0.128 0.000 2.131 327 L HA -0.195 4.143 4.340 -0.003 0.000 0.210 327 L C 1.998 178.997 176.870 0.214 0.000 1.092 327 L CA 1.431 56.341 54.840 0.116 0.000 0.759 327 L CB -0.381 41.613 42.059 -0.109 0.000 0.903 327 L HN 0.194 nan 8.230 nan 0.000 0.435 328 K N -0.592 119.890 120.400 0.137 0.000 2.374 328 K HA 0.037 4.355 4.320 -0.003 0.000 0.196 328 K C 0.488 177.124 176.600 0.060 0.000 1.023 328 K CA -0.299 56.062 56.287 0.125 0.000 1.103 328 K CB -0.023 32.509 32.500 0.055 0.000 0.848 328 K HN 0.124 nan 8.250 nan 0.000 0.528 329 N N 3.196 121.919 118.700 0.039 0.000 2.417 329 N HA -0.040 4.699 4.740 -0.003 0.000 0.272 329 N C -1.691 173.737 175.510 -0.136 0.000 1.304 329 N CA -1.042 51.941 53.050 -0.113 0.000 0.906 329 N CB 1.039 39.285 38.487 -0.403 0.000 1.135 329 N HN 0.003 nan 8.380 nan 0.000 0.483 330 P HA -0.057 nan 4.420 nan 0.000 0.225 330 P C 0.475 177.698 177.300 -0.129 0.000 1.156 330 P CA 1.081 64.122 63.100 -0.097 0.000 0.787 330 P CB 0.492 32.149 31.700 -0.071 0.000 0.802 331 E N -0.143 119.948 120.200 -0.182 0.000 2.112 331 E HA -0.050 4.298 4.350 -0.003 0.000 0.190 331 E C 2.101 178.577 176.600 -0.206 0.000 0.979 331 E CA 0.773 57.061 56.400 -0.187 0.000 0.814 331 E CB -0.371 29.200 29.700 -0.214 0.000 0.762 331 E HN 0.061 nan 8.360 nan 0.000 0.460 332 V N 1.701 121.440 119.914 -0.292 0.000 2.358 332 V HA -0.230 3.889 4.120 -0.003 0.000 0.246 332 V C 2.282 178.309 176.094 -0.111 0.000 1.047 332 V CA 1.349 63.510 62.300 -0.232 0.000 1.035 332 V CB -0.364 31.259 31.823 -0.333 0.000 0.658 332 V HN 0.233 nan 8.190 nan 0.000 0.452 333 I N 0.674 121.180 120.570 -0.107 0.000 2.208 333 I HA -0.285 3.883 4.170 -0.003 0.000 0.245 333 I C 2.669 178.734 176.117 -0.086 0.000 1.097 333 I CA 1.636 62.882 61.300 -0.090 0.000 1.363 333 I CB -0.586 37.350 38.000 -0.106 0.000 1.051 333 I HN 0.299 nan 8.210 nan 0.000 0.413 334 A N 0.199 122.967 122.820 -0.088 0.000 1.940 334 A HA -0.150 4.168 4.320 -0.003 0.000 0.219 334 A C 2.428 179.979 177.584 -0.055 0.000 1.176 334 A CA 1.717 53.711 52.037 -0.071 0.000 0.631 334 A CB -0.869 18.089 19.000 -0.071 0.000 0.814 334 A HN 0.265 nan 8.150 nan 0.000 0.446 335 V N 0.257 120.138 119.914 -0.056 0.000 2.307 335 V HA -0.255 3.863 4.120 -0.003 0.000 0.245 335 V C 2.310 178.397 176.094 -0.012 0.000 1.045 335 V CA 2.445 64.727 62.300 -0.031 0.000 1.024 335 V CB -0.780 31.026 31.823 -0.029 0.000 0.651 335 V HN 0.770 nan 8.190 nan 0.000 0.449 336 D N -0.452 119.938 120.400 -0.017 0.000 2.123 336 D HA -0.203 4.436 4.640 -0.003 0.000 0.196 336 D C 1.931 178.200 176.300 -0.051 0.000 0.992 336 D CA 1.131 55.122 54.000 -0.016 0.000 0.833 336 D CB 0.005 40.797 40.800 -0.015 0.000 0.954 336 D HN 0.354 nan 8.370 nan 0.000 0.455 337 Q N 0.570 120.333 119.800 -0.061 0.000 2.222 337 Q HA 0.076 4.414 4.340 -0.003 0.000 0.206 337 Q C -0.578 175.409 176.000 -0.023 0.000 0.877 337 Q CA -0.073 55.690 55.803 -0.066 0.000 0.958 337 Q CB 0.063 28.752 28.738 -0.081 0.000 1.075 337 Q HN 0.454 nan 8.270 nan 0.000 0.483 338 D N -0.066 120.332 120.400 -0.004 0.000 2.571 338 D HA -0.061 4.577 4.640 -0.003 0.000 0.231 338 D C 0.677 176.993 176.300 0.027 0.000 1.133 338 D CA 0.374 54.379 54.000 0.008 0.000 0.862 338 D CB 0.857 41.665 40.800 0.015 0.000 1.179 338 D HN -0.104 nan 8.370 nan 0.000 0.474 339 S N 2.782 118.491 115.700 0.015 0.000 2.469 339 S HA -0.137 4.331 4.470 -0.003 0.000 0.238 339 S C 1.727 176.343 174.600 0.027 0.000 0.998 339 S CA 0.519 58.731 58.200 0.021 0.000 0.957 339 S CB -0.081 63.125 63.200 0.010 0.000 0.764 339 S HN 0.510 nan 8.310 nan 0.000 0.514 340 R N 0.431 120.946 120.500 0.025 0.000 2.246 340 R HA 0.097 4.435 4.340 -0.003 0.000 0.199 340 R C 1.497 177.808 176.300 0.020 0.000 0.984 340 R CA 0.722 56.833 56.100 0.018 0.000 1.015 340 R CB -0.131 30.175 30.300 0.011 0.000 0.930 340 R HN 0.430 nan 8.270 nan 0.000 0.475 341 G N 0.534 109.367 108.800 0.056 0.000 2.162 341 G HA2 -0.268 3.691 3.960 -0.003 0.000 0.260 341 G HA3 -0.268 3.691 3.960 -0.003 0.000 0.260 341 G C -0.005 174.908 174.900 0.021 0.000 0.976 341 G CA 0.386 45.529 45.100 0.071 0.000 0.655 341 G HN 0.204 nan 8.290 nan 0.000 0.533 342 L N -0.133 121.113 121.223 0.039 0.000 2.439 342 L HA 0.521 4.859 4.340 -0.003 0.000 0.261 342 L C 0.899 177.796 176.870 0.046 0.000 1.153 342 L CA -0.612 54.244 54.840 0.027 0.000 0.808 342 L CB 1.016 43.089 42.059 0.024 0.000 1.126 342 L HN 0.262 nan 8.230 nan 0.000 0.460 343 Q N 0.305 120.121 119.800 0.027 0.000 2.243 343 Q HA 0.380 4.718 4.340 -0.003 0.000 0.252 343 Q C -0.025 175.995 176.000 0.034 0.000 0.909 343 Q CA -0.536 55.281 55.803 0.024 0.000 0.922 343 Q CB 1.720 30.447 28.738 -0.018 0.000 1.215 343 Q HN 0.778 nan 8.270 nan 0.000 0.427 344 G N 1.321 110.156 108.800 0.059 0.000 2.594 344 G HA2 0.394 4.352 3.960 -0.003 0.000 0.243 344 G HA3 0.394 4.352 3.960 -0.003 0.000 0.243 344 G C -0.545 174.424 174.900 0.115 0.000 1.229 344 G CA 0.004 45.166 45.100 0.104 0.000 0.843 344 G HN 0.627 nan 8.290 nan 0.000 0.578 345 V N -1.536 118.480 119.914 0.171 0.000 3.114 345 V HA 0.644 4.763 4.120 -0.003 0.000 0.308 345 V C -0.197 176.020 176.094 0.206 0.000 1.168 345 V CA -1.681 60.710 62.300 0.153 0.000 1.015 345 V CB 1.839 33.692 31.823 0.050 0.000 1.050 345 V HN 0.788 nan 8.190 nan 0.000 0.433 346 K N 1.100 121.552 120.400 0.087 0.000 2.416 346 K HA 0.420 4.738 4.320 -0.003 0.000 0.283 346 K C 0.633 177.143 176.600 -0.150 0.000 1.037 346 K CA 0.426 56.533 56.287 -0.300 0.000 0.995 346 K CB 1.432 33.708 32.500 -0.374 0.000 0.938 346 K HN 1.025 nan 8.250 nan 0.000 0.475 347 V N 0.588 120.412 119.914 -0.151 0.000 3.645 347 V HA 0.478 4.596 4.120 -0.003 0.000 0.275 347 V C 0.032 176.094 176.094 -0.053 0.000 1.356 347 V CA 0.328 62.595 62.300 -0.055 0.000 1.051 347 V CB 0.251 32.079 31.823 0.008 0.000 0.828 347 V HN 0.633 nan 8.190 nan 0.000 0.441 348 A N 0.219 122.978 122.820 -0.101 0.000 2.577 348 A HA 0.787 5.105 4.320 -0.003 0.000 0.297 348 A C -0.791 176.737 177.584 -0.093 0.000 1.060 348 A CA -0.113 51.885 52.037 -0.066 0.000 0.697 348 A CB 1.635 20.621 19.000 -0.023 0.000 1.281 348 A HN 0.320 nan 8.150 nan 0.000 0.402 349 E N 1.562 121.726 120.200 -0.061 0.000 3.191 349 E HA 0.197 4.545 4.350 -0.003 0.000 0.303 349 E C -0.816 175.763 176.600 -0.035 0.000 1.197 349 E CA -0.340 56.032 56.400 -0.048 0.000 0.901 349 E CB 0.439 30.112 29.700 -0.045 0.000 1.446 349 E HN 0.599 nan 8.360 nan 0.000 0.385 350 D N 0.625 121.005 120.400 -0.033 0.000 2.178 350 D HA -0.034 4.604 4.640 -0.003 0.000 0.202 350 D C 0.156 176.430 176.300 -0.043 0.000 0.974 350 D CA 1.141 55.120 54.000 -0.036 0.000 0.841 350 D CB 0.401 41.181 40.800 -0.033 0.000 0.953 350 D HN 0.210 nan 8.370 nan 0.000 0.478 351 T N 0.295 114.820 114.554 -0.047 0.000 2.824 351 T HA 0.283 4.631 4.350 -0.003 0.000 0.282 351 T C -0.201 174.473 174.700 -0.043 0.000 0.993 351 T CA -0.643 61.420 62.100 -0.061 0.000 0.967 351 T CB 2.052 70.859 68.868 -0.102 0.000 0.960 351 T HN -0.202 nan 8.240 nan 0.000 0.441 352 T N 2.638 117.173 114.554 -0.032 0.000 2.905 352 T HA 0.344 4.693 4.350 -0.003 0.000 0.299 352 T C 1.543 176.247 174.700 0.007 0.000 1.024 352 T CA 1.212 63.310 62.100 -0.003 0.000 1.151 352 T CB 0.070 68.941 68.868 0.006 0.000 0.987 352 T HN 1.069 nan 8.240 nan 0.000 0.535 353 G N 2.705 111.526 108.800 0.035 0.000 2.179 353 G HA2 -0.227 3.731 3.960 -0.003 0.000 0.260 353 G HA3 -0.227 3.731 3.960 -0.003 0.000 0.260 353 G C 0.073 175.012 174.900 0.064 0.000 0.977 353 G CA -0.226 44.910 45.100 0.060 0.000 0.641 353 G HN 0.687 nan 8.290 nan 0.000 0.533 354 L N 0.938 122.182 121.223 0.034 0.000 2.295 354 L HA 0.577 4.915 4.340 -0.003 0.000 0.281 354 L C 0.139 177.026 176.870 0.029 0.000 1.018 354 L CA -0.495 54.369 54.840 0.040 0.000 0.841 354 L CB 1.455 43.516 42.059 0.004 0.000 1.218 354 L HN 0.193 nan 8.230 nan 0.000 0.424 355 Q N 2.282 122.116 119.800 0.056 0.000 2.377 355 Q HA 0.801 5.139 4.340 -0.003 0.000 0.271 355 Q C -0.845 175.160 176.000 0.007 0.000 1.077 355 Q CA -0.750 55.049 55.803 -0.006 0.000 0.820 355 Q CB 3.236 31.990 28.738 0.026 0.000 1.347 355 Q HN 0.710 nan 8.270 nan 0.000 0.444 356 A N 2.073 124.830 122.820 -0.105 0.000 2.330 356 A HA 0.669 4.987 4.320 -0.003 0.000 0.313 356 A C -1.728 175.753 177.584 -0.171 0.000 1.124 356 A CA -0.395 51.632 52.037 -0.018 0.000 0.774 356 A CB 0.499 19.521 19.000 0.037 0.000 1.198 356 A HN 0.640 nan 8.150 nan 0.000 0.465 357 Y N 0.987 121.354 120.300 0.112 0.000 2.360 357 Y HA 0.590 5.138 4.550 -0.003 0.000 0.337 357 Y C 0.958 176.918 175.900 0.101 0.000 1.039 357 Y CA -0.083 58.089 58.100 0.121 0.000 1.109 357 Y CB 2.435 40.998 38.460 0.172 0.000 1.201 357 Y HN 0.804 nan 8.280 nan 0.000 0.458 358 G N 2.560 111.483 108.800 0.205 0.000 2.482 358 G HA2 0.593 4.552 3.960 -0.003 0.000 0.317 358 G HA3 0.593 4.552 3.960 -0.003 0.000 0.317 358 G C -1.796 173.175 174.900 0.119 0.000 1.241 358 G CA -0.957 44.225 45.100 0.136 0.000 0.967 358 G HN 0.473 nan 8.290 nan 0.000 0.482 359 K N 1.647 122.097 120.400 0.084 0.000 2.397 359 K HA 0.510 4.828 4.320 -0.003 0.000 0.253 359 K C -0.870 175.747 176.600 0.028 0.000 0.932 359 K CA -0.643 55.682 56.287 0.063 0.000 0.795 359 K CB 2.324 34.865 32.500 0.068 0.000 1.159 359 K HN 0.258 nan 8.250 nan 0.000 0.424 360 V N 6.252 126.179 119.914 0.021 0.000 2.439 360 V HA 0.147 4.266 4.120 -0.003 0.000 0.271 360 V C 0.374 176.470 176.094 0.002 0.000 1.040 360 V CA -0.224 62.078 62.300 0.003 0.000 1.002 360 V CB 0.198 32.023 31.823 0.003 0.000 1.000 360 V HN 0.661 nan 8.190 nan 0.000 0.477 361 L N 3.960 125.176 121.223 -0.011 0.000 2.400 361 L HA 0.513 4.851 4.340 -0.003 0.000 0.264 361 L C 0.980 177.842 176.870 -0.013 0.000 1.061 361 L CA -0.580 54.253 54.840 -0.011 0.000 0.799 361 L CB 1.401 43.446 42.059 -0.024 0.000 1.240 361 L HN 0.733 nan 8.230 nan 0.000 0.461 362 S N -0.113 115.581 115.700 -0.010 0.000 2.569 362 S HA 0.432 4.900 4.470 -0.003 0.000 0.274 362 S C 0.434 175.023 174.600 -0.018 0.000 1.353 362 S CA -0.084 58.110 58.200 -0.010 0.000 1.023 362 S CB 0.675 63.871 63.200 -0.007 0.000 0.876 362 S HN 1.209 nan 8.310 nan 0.000 0.540 363 G N 0.863 109.654 108.800 -0.015 0.000 2.642 363 G HA2 0.100 4.058 3.960 -0.003 0.000 0.231 363 G HA3 0.100 4.058 3.960 -0.003 0.000 0.231 363 G C -0.147 174.739 174.900 -0.023 0.000 1.338 363 G CA -0.017 45.071 45.100 -0.020 0.000 0.883 363 G HN 2.231 nan 8.290 nan 0.000 0.570 364 T N -3.387 111.150 114.554 -0.029 0.000 2.876 364 T HA 0.715 5.063 4.350 -0.003 0.000 0.289 364 T C 1.225 175.895 174.700 -0.049 0.000 1.014 364 T CA 0.815 62.895 62.100 -0.032 0.000 0.986 364 T CB 1.523 70.376 68.868 -0.024 0.000 1.021 364 T HN 2.823 nan 8.240 nan 0.000 0.458 365 G N 2.280 111.043 108.800 -0.062 0.000 2.160 365 G HA2 -0.205 3.754 3.960 -0.003 0.000 0.251 365 G HA3 -0.205 3.754 3.960 -0.003 0.000 0.251 365 G C -0.305 174.520 174.900 -0.126 0.000 1.008 365 G CA -0.295 44.747 45.100 -0.097 0.000 0.724 365 G HN 0.951 nan 8.290 nan 0.000 0.514 366 N N 0.202 118.842 118.700 -0.101 0.000 2.314 366 N HA 0.687 5.426 4.740 -0.003 0.000 0.294 366 N C -0.190 175.263 175.510 -0.095 0.000 1.029 366 N CA -0.513 52.474 53.050 -0.104 0.000 0.845 366 N CB 1.566 40.010 38.487 -0.073 0.000 1.321 366 N HN 0.178 nan 8.380 nan 0.000 0.481 367 R N 0.464 120.897 120.500 -0.112 0.000 2.725 367 R HA 0.721 5.059 4.340 -0.003 0.000 0.277 367 R C -0.836 175.429 176.300 -0.059 0.000 0.987 367 R CA -0.837 55.216 56.100 -0.079 0.000 0.901 367 R CB 1.915 32.155 30.300 -0.100 0.000 1.207 367 R HN 0.624 nan 8.270 nan 0.000 0.463 368 A N 1.341 124.151 122.820 -0.017 0.000 2.320 368 A HA 0.778 5.096 4.320 -0.003 0.000 0.334 368 A C -0.735 176.877 177.584 0.047 0.000 1.147 368 A CA -0.596 51.443 52.037 0.004 0.000 0.820 368 A CB 1.357 20.365 19.000 0.013 0.000 1.218 368 A HN 0.319 nan 8.150 nan 0.000 0.482 369 V N 1.664 121.619 119.914 0.067 0.000 2.760 369 V HA 0.459 4.577 4.120 -0.003 0.000 0.309 369 V C -0.748 175.434 176.094 0.147 0.000 1.077 369 V CA -0.519 61.854 62.300 0.122 0.000 0.910 369 V CB 1.893 33.795 31.823 0.130 0.000 1.008 369 V HN 0.688 nan 8.190 nan 0.000 0.424 370 V N 5.679 125.714 119.914 0.201 0.000 2.417 370 V HA 0.493 4.612 4.120 -0.003 0.000 0.291 370 V C -0.288 175.953 176.094 0.244 0.000 1.024 370 V CA -0.525 61.895 62.300 0.200 0.000 0.861 370 V CB 1.707 33.619 31.823 0.149 0.000 0.985 370 V HN 0.639 nan 8.190 nan 0.000 0.436 371 L N 5.916 127.258 121.223 0.197 0.000 2.264 371 L HA 0.565 4.904 4.340 -0.003 0.000 0.289 371 L C -0.650 176.316 176.870 0.159 0.000 1.044 371 L CA -0.434 54.514 54.840 0.181 0.000 0.807 371 L CB 1.343 43.501 42.059 0.165 0.000 1.192 371 L HN 0.444 nan 8.230 nan 0.000 0.425 372 L N 4.536 125.867 121.223 0.179 0.000 2.356 372 L HA 0.503 4.841 4.340 -0.003 0.000 0.277 372 L C -0.576 176.367 176.870 0.121 0.000 0.996 372 L CA -0.136 54.791 54.840 0.144 0.000 0.822 372 L CB 1.620 43.798 42.059 0.198 0.000 1.256 372 L HN 0.441 nan 8.230 nan 0.000 0.413 373 N N 4.149 122.899 118.700 0.083 0.000 2.558 373 N HA 0.333 5.071 4.740 -0.003 0.000 0.242 373 N C 0.073 175.624 175.510 0.069 0.000 0.979 373 N CA -0.249 52.852 53.050 0.085 0.000 0.931 373 N CB 0.954 39.487 38.487 0.077 0.000 1.122 373 N HN 0.674 nan 8.380 nan 0.000 0.508 374 R N 0.642 121.192 120.500 0.083 0.000 2.317 374 R HA 0.062 4.400 4.340 -0.003 0.000 0.208 374 R C 0.658 177.000 176.300 0.069 0.000 0.914 374 R CA 0.102 56.245 56.100 0.072 0.000 1.060 374 R CB 0.099 30.453 30.300 0.090 0.000 1.015 374 R HN 0.583 nan 8.270 nan 0.000 0.498 375 T N -2.017 112.589 114.554 0.087 0.000 2.824 375 T HA 0.083 4.432 4.350 -0.003 0.000 0.277 375 T C 1.304 176.041 174.700 0.062 0.000 0.975 375 T CA -0.503 61.656 62.100 0.097 0.000 0.966 375 T CB 1.639 70.615 68.868 0.180 0.000 1.054 375 T HN 0.051 nan 8.240 nan 0.000 0.533 376 S N -0.745 114.987 115.700 0.053 0.000 2.593 376 S HA 0.499 4.967 4.470 -0.003 0.000 0.217 376 S C 0.558 175.143 174.600 -0.024 0.000 0.966 376 S CA -0.361 57.848 58.200 0.014 0.000 0.914 376 S CB -0.485 62.724 63.200 0.017 0.000 0.776 376 S HN 1.143 nan 8.310 nan 0.000 0.523 377 A N 0.813 123.601 122.820 -0.053 0.000 2.435 377 A HA 0.864 5.183 4.320 -0.003 0.000 0.304 377 A C -0.056 177.311 177.584 -0.361 0.000 1.064 377 A CA -0.565 51.340 52.037 -0.219 0.000 0.727 377 A CB 1.029 19.851 19.000 -0.296 0.000 1.284 377 A HN 0.712 nan 8.150 nan 0.000 0.415 378 A N 1.988 124.618 122.820 -0.318 0.000 2.520 378 A HA 0.540 4.859 4.320 -0.003 0.000 0.245 378 A C -0.057 177.263 177.584 -0.441 0.000 1.072 378 A CA 0.509 52.392 52.037 -0.257 0.000 0.761 378 A CB -0.248 18.663 19.000 -0.148 0.000 1.004 378 A HN 0.833 nan 8.150 nan 0.000 0.499 379 H N 0.719 119.787 119.070 -0.003 0.000 3.012 379 H HA 0.259 4.813 4.556 -0.003 0.000 0.367 379 H C -1.270 174.055 175.328 -0.005 0.000 1.211 379 H CA -0.877 55.168 56.048 -0.005 0.000 1.139 379 H CB 1.478 31.239 29.762 -0.001 0.000 1.838 379 H HN 0.670 nan 8.280 nan 0.000 0.550 380 D N 1.614 122.092 120.400 0.130 0.000 2.382 380 D HA 0.281 4.919 4.640 -0.003 0.000 0.245 380 D C 0.297 176.626 176.300 0.048 0.000 1.120 380 D CA 0.310 54.340 54.000 0.051 0.000 0.890 380 D CB 0.951 41.756 40.800 0.009 0.000 1.201 380 D HN 0.266 nan 8.370 nan 0.000 0.433 381 I N 1.103 121.693 120.570 0.033 0.000 2.533 381 I HA 0.199 4.367 4.170 -0.003 0.000 0.290 381 I C -0.155 175.978 176.117 0.026 0.000 1.056 381 I CA -0.594 60.728 61.300 0.038 0.000 1.057 381 I CB 2.273 40.316 38.000 0.071 0.000 1.240 381 I HN 0.034 nan 8.210 nan 0.000 0.423 382 T N 4.992 119.556 114.554 0.016 0.000 2.823 382 T HA 0.460 4.808 4.350 -0.003 0.000 0.279 382 T C -0.761 173.976 174.700 0.062 0.000 0.998 382 T CA -0.482 61.625 62.100 0.011 0.000 0.994 382 T CB 2.422 71.271 68.868 -0.031 0.000 0.960 382 T HN 0.297 nan 8.240 nan 0.000 0.448 383 V N 4.136 124.123 119.914 0.122 0.000 2.495 383 V HA 0.600 4.719 4.120 -0.003 0.000 0.298 383 V C -0.667 175.531 176.094 0.172 0.000 1.031 383 V CA -0.855 61.548 62.300 0.173 0.000 0.871 383 V CB 1.399 33.377 31.823 0.258 0.000 0.988 383 V HN 0.778 nan 8.190 nan 0.000 0.432 384 R N 4.752 125.347 120.500 0.157 0.000 2.474 384 R HA 0.334 4.673 4.340 -0.003 0.000 0.295 384 R C 0.624 177.156 176.300 0.388 0.000 0.980 384 R CA -0.378 55.803 56.100 0.134 0.000 0.934 384 R CB 1.331 31.667 30.300 0.059 0.000 1.101 384 R HN 0.878 nan 8.270 nan 0.000 0.469 385 W N 0.795 122.119 121.300 0.041 0.000 2.342 385 W HA -0.251 4.407 4.660 -0.003 0.000 0.297 385 W C 2.233 178.768 176.519 0.027 0.000 1.213 385 W CA 0.917 58.282 57.345 0.034 0.000 1.251 385 W CB -0.106 29.374 29.460 0.032 0.000 1.136 385 W HN 0.653 nan 8.180 nan 0.000 0.526 386 S N 0.170 116.028 115.700 0.264 0.000 2.370 386 S HA -0.229 4.240 4.470 -0.003 0.000 0.226 386 S C 1.279 175.950 174.600 0.119 0.000 1.033 386 S CA 1.674 59.965 58.200 0.153 0.000 1.011 386 S CB -0.759 62.502 63.200 0.101 0.000 0.852 386 S HN 0.165 nan 8.310 nan 0.000 0.457 387 D N 1.752 122.225 120.400 0.122 0.000 2.219 387 D HA 0.052 4.690 4.640 -0.003 0.000 0.205 387 D C 1.738 178.088 176.300 0.084 0.000 0.970 387 D CA 0.755 54.807 54.000 0.088 0.000 0.851 387 D CB -0.277 40.569 40.800 0.077 0.000 0.943 387 D HN 0.422 nan 8.370 nan 0.000 0.488 388 L N -0.374 120.916 121.223 0.111 0.000 2.610 388 L HA 0.118 4.456 4.340 -0.003 0.000 0.232 388 L C 1.392 178.285 176.870 0.038 0.000 1.149 388 L CA 0.381 55.262 54.840 0.069 0.000 0.872 388 L CB -0.170 41.921 42.059 0.053 0.000 0.992 388 L HN 0.077 nan 8.230 nan 0.000 0.447 389 G N 0.604 109.437 108.800 0.054 0.000 2.147 389 G HA2 -0.259 3.700 3.960 -0.003 0.000 0.244 389 G HA3 -0.259 3.700 3.960 -0.003 0.000 0.244 389 G C 0.014 174.929 174.900 0.024 0.000 1.005 389 G CA -0.068 45.055 45.100 0.038 0.000 0.713 389 G HN 0.236 nan 8.290 nan 0.000 0.515 390 L N 0.602 121.846 121.223 0.036 0.000 2.334 390 L HA 0.718 5.057 4.340 -0.003 0.000 0.270 390 L C 1.393 178.321 176.870 0.096 0.000 1.018 390 L CA -0.537 54.312 54.840 0.015 0.000 0.811 390 L CB 1.581 43.577 42.059 -0.104 0.000 1.271 390 L HN 0.348 nan 8.230 nan 0.000 0.443 391 T N -2.464 112.142 114.554 0.087 0.000 2.788 391 T HA 0.140 4.489 4.350 -0.003 0.000 0.280 391 T C 0.275 175.103 174.700 0.213 0.000 0.984 391 T CA -0.689 61.483 62.100 0.120 0.000 0.972 391 T CB 0.267 69.184 68.868 0.081 0.000 1.039 391 T HN 0.561 nan 8.240 nan 0.000 0.530 392 N N 1.160 119.968 118.700 0.180 0.000 3.178 392 N HA 0.455 5.194 4.740 -0.003 0.000 0.300 392 N C -0.474 175.148 175.510 0.187 0.000 1.242 392 N CA -0.603 52.566 53.050 0.199 0.000 1.192 392 N CB 0.011 38.554 38.487 0.093 0.000 1.463 392 N HN 0.767 nan 8.380 nan 0.000 0.539 393 A N 0.361 123.338 122.820 0.262 0.000 2.413 393 A HA 0.537 4.855 4.320 -0.003 0.000 0.307 393 A C 0.134 177.880 177.584 0.269 0.000 1.087 393 A CA -0.686 51.464 52.037 0.189 0.000 0.750 393 A CB 1.148 20.214 19.000 0.110 0.000 1.296 393 A HN 0.275 nan 8.150 nan 0.000 0.423 394 S N 0.012 115.828 115.700 0.194 0.000 2.558 394 S HA 0.424 4.893 4.470 -0.003 0.000 0.293 394 S C 0.319 175.026 174.600 0.179 0.000 1.292 394 S CA 0.714 59.043 58.200 0.214 0.000 1.063 394 S CB 0.290 63.565 63.200 0.126 0.000 0.831 394 S HN 1.643 nan 8.310 nan 0.000 0.499 395 A N 2.982 125.948 122.820 0.243 0.000 2.572 395 A HA 0.696 5.015 4.320 -0.003 0.000 0.295 395 A C -0.416 177.236 177.584 0.113 0.000 1.072 395 A CA -0.826 51.239 52.037 0.047 0.000 0.691 395 A CB 1.388 20.203 19.000 -0.307 0.000 1.291 395 A HN 0.580 nan 8.150 nan 0.000 0.404 396 T N 1.289 115.848 114.554 0.007 0.000 2.799 396 T HA 0.531 4.879 4.350 -0.003 0.000 0.286 396 T C -0.249 174.431 174.700 -0.033 0.000 0.973 396 T CA -0.230 61.880 62.100 0.016 0.000 1.035 396 T CB 1.035 69.898 68.868 -0.008 0.000 0.932 396 T HN 0.546 nan 8.240 nan 0.000 0.469 397 V N 4.231 124.126 119.914 -0.032 0.000 2.427 397 V HA 0.585 4.703 4.120 -0.003 0.000 0.286 397 V C 0.258 176.257 176.094 -0.160 0.000 1.034 397 V CA -0.833 61.375 62.300 -0.153 0.000 0.893 397 V CB 1.419 33.017 31.823 -0.375 0.000 0.982 397 V HN 0.719 nan 8.190 nan 0.000 0.452 398 R N 2.441 122.849 120.500 -0.152 0.000 2.621 398 R HA 0.400 4.739 4.340 -0.003 0.000 0.292 398 R C -1.404 174.837 176.300 -0.098 0.000 0.969 398 R CA -0.635 55.402 56.100 -0.106 0.000 0.887 398 R CB 1.745 31.995 30.300 -0.082 0.000 1.180 398 R HN 0.794 nan 8.270 nan 0.000 0.450 399 D N 4.907 125.274 120.400 -0.056 0.000 2.274 399 D HA 0.132 4.770 4.640 -0.003 0.000 0.239 399 D C 0.825 177.107 176.300 -0.031 0.000 1.104 399 D CA -0.258 53.739 54.000 -0.005 0.000 0.840 399 D CB 1.373 42.205 40.800 0.054 0.000 1.100 399 D HN 0.582 nan 8.370 nan 0.000 0.477 400 L N 2.735 123.908 121.223 -0.085 0.000 2.509 400 L HA 0.071 4.409 4.340 -0.003 0.000 0.222 400 L C 1.360 177.982 176.870 -0.413 0.000 1.123 400 L CA 0.074 54.760 54.840 -0.257 0.000 0.856 400 L CB 0.053 41.906 42.059 -0.343 0.000 0.985 400 L HN 0.481 nan 8.230 nan 0.000 0.456 401 W N -0.213 121.090 121.300 0.006 0.000 2.539 401 W HA 0.099 4.758 4.660 -0.002 0.000 0.281 401 W C 2.591 179.113 176.519 0.005 0.000 1.220 401 W CA 0.573 57.922 57.345 0.006 0.000 1.332 401 W CB -0.046 29.418 29.460 0.007 0.000 1.095 401 W HN -0.034 nan 8.180 nan 0.000 0.571 402 A N 0.589 123.524 122.820 0.191 0.000 2.066 402 A HA -0.054 4.264 4.320 -0.003 0.000 0.218 402 A C 1.041 178.657 177.584 0.054 0.000 1.157 402 A CA 0.646 52.751 52.037 0.112 0.000 0.670 402 A CB -0.493 18.562 19.000 0.092 0.000 0.804 402 A HN 0.274 nan 8.150 nan 0.000 0.453 403 R N -0.594 119.911 120.500 0.009 0.000 3.251 403 R HA -0.184 4.154 4.340 -0.003 0.000 0.249 403 R C -0.336 175.955 176.300 -0.015 0.000 0.949 403 R CA 1.312 57.394 56.100 -0.031 0.000 0.645 403 R CB -2.669 27.610 30.300 -0.035 0.000 1.065 403 R HN 0.984 nan 8.270 nan 0.000 0.452 404 Q N -0.594 119.201 119.800 -0.009 0.000 2.353 404 Q HA 0.398 4.736 4.340 -0.003 0.000 0.275 404 Q C -1.160 174.834 176.000 -0.010 0.000 1.029 404 Q CA -1.111 54.690 55.803 -0.002 0.000 0.848 404 Q CB 1.496 30.243 28.738 0.016 0.000 1.390 404 Q HN -0.020 nan 8.270 nan 0.000 0.401 405 N N 1.242 119.935 118.700 -0.012 0.000 2.458 405 N HA 0.092 4.830 4.740 -0.003 0.000 0.258 405 N C 0.509 176.022 175.510 0.004 0.000 1.219 405 N CA 0.216 53.257 53.050 -0.016 0.000 0.902 405 N CB 1.512 39.993 38.487 -0.009 0.000 1.076 405 N HN 0.603 nan 8.380 nan 0.000 0.455 406 V N -1.484 118.426 119.914 -0.007 0.000 3.346 406 V HA 0.654 4.772 4.120 -0.003 0.000 0.309 406 V C 0.708 176.863 176.094 0.102 0.000 1.457 406 V CA 0.176 62.503 62.300 0.046 0.000 1.069 406 V CB -0.164 31.695 31.823 0.061 0.000 0.944 406 V HN 0.735 nan 8.190 nan 0.000 0.449 407 G N 0.300 109.142 108.800 0.070 0.000 2.361 407 G HA2 0.449 4.407 3.960 -0.003 0.000 0.305 407 G HA3 0.449 4.407 3.960 -0.003 0.000 0.305 407 G C -0.650 174.321 174.900 0.119 0.000 1.367 407 G CA 0.117 45.292 45.100 0.124 0.000 0.951 407 G HN 1.026 nan 8.290 nan 0.000 0.615 408 T N -2.450 112.190 114.554 0.143 0.000 2.907 408 T HA 0.885 5.233 4.350 -0.003 0.000 0.292 408 T C -0.327 174.491 174.700 0.197 0.000 1.043 408 T CA -0.043 62.161 62.100 0.173 0.000 1.003 408 T CB 2.029 70.971 68.868 0.125 0.000 1.084 408 T HN 2.032 nan 8.240 nan 0.000 0.483 409 S N -0.647 115.222 115.700 0.281 0.000 2.547 409 S HA 0.642 5.110 4.470 -0.003 0.000 0.270 409 S C 0.283 175.029 174.600 0.244 0.000 1.150 409 S CA -0.171 58.111 58.200 0.137 0.000 0.850 409 S CB 1.229 64.367 63.200 -0.103 0.000 1.118 409 S HN 1.347 nan 8.310 nan 0.000 0.461 410 A N 1.678 124.531 122.820 0.054 0.000 2.308 410 A HA 0.313 4.631 4.320 -0.003 0.000 0.217 410 A C 1.405 178.892 177.584 -0.162 0.000 1.216 410 A CA 1.130 53.238 52.037 0.118 0.000 0.864 410 A CB -0.518 18.533 19.000 0.085 0.000 0.902 410 A HN 1.155 nan 8.150 nan 0.000 0.499 411 T N -5.920 108.238 114.554 -0.660 0.000 3.048 411 T HA 0.525 4.873 4.350 -0.003 0.000 0.254 411 T C 0.752 174.725 174.700 -1.211 0.000 0.942 411 T CA 0.913 62.578 62.100 -0.725 0.000 0.931 411 T CB 0.521 69.191 68.868 -0.330 0.000 1.220 411 T HN 1.355 nan 8.240 nan 0.000 0.503 412 G N -0.060 107.781 108.800 -1.598 0.000 2.321 412 G HA2 0.452 4.411 3.960 -0.003 0.000 0.296 412 G HA3 0.452 4.411 3.960 -0.003 0.000 0.296 412 G C -2.581 171.924 174.900 -0.658 0.000 1.287 412 G CA -0.749 43.583 45.100 -1.280 0.000 0.846 412 G HN 0.384 nan 8.290 nan 0.000 0.508 413 Y N -0.102 120.014 120.300 -0.307 0.000 2.479 413 Y HA 0.673 5.221 4.550 -0.003 0.000 0.338 413 Y C -0.701 175.196 175.900 -0.006 0.000 1.055 413 Y CA -0.471 57.589 58.100 -0.065 0.000 1.023 413 Y CB 2.425 40.968 38.460 0.138 0.000 1.287 413 Y HN 0.670 nan 8.280 nan 0.000 0.447 414 T N 4.774 118.918 114.554 -0.684 0.000 2.824 414 T HA 0.874 5.222 4.350 -0.003 0.000 0.282 414 T C -1.038 173.324 174.700 -0.562 0.000 0.993 414 T CA -0.490 61.355 62.100 -0.426 0.000 0.967 414 T CB 1.217 69.924 68.868 -0.269 0.000 0.960 414 T HN 0.781 nan 8.240 nan 0.000 0.441 415 A N 1.922 124.625 122.820 -0.195 0.000 2.454 415 A HA 0.831 5.149 4.320 -0.003 0.000 0.302 415 A C 0.024 177.607 177.584 -0.002 0.000 1.079 415 A CA -0.804 51.199 52.037 -0.056 0.000 0.731 415 A CB 1.653 20.752 19.000 0.166 0.000 1.299 415 A HN 0.668 nan 8.150 nan 0.000 0.413 416 S N 0.410 116.114 115.700 0.008 0.000 2.528 416 S HA 0.507 4.975 4.470 -0.003 0.000 0.277 416 S C -0.498 174.123 174.600 0.035 0.000 1.297 416 S CA -0.212 57.998 58.200 0.017 0.000 1.052 416 S CB -0.067 63.135 63.200 0.003 0.000 0.917 416 S HN 0.885 nan 8.310 nan 0.000 0.492 417 V N 8.123 128.060 119.914 0.038 0.000 2.531 417 V HA 0.433 4.552 4.120 -0.003 0.000 0.301 417 V C -2.320 173.779 176.094 0.008 0.000 1.034 417 V CA -2.000 60.323 62.300 0.038 0.000 0.865 417 V CB 1.620 33.482 31.823 0.064 0.000 0.995 417 V HN 0.723 nan 8.190 nan 0.000 0.424 418 P HA 0.181 nan 4.420 nan 0.000 0.269 418 P C -0.196 177.081 177.300 -0.038 0.000 1.215 418 P CA -0.046 63.029 63.100 -0.041 0.000 0.780 418 P CB 0.497 32.166 31.700 -0.051 0.000 0.898 419 A N 2.541 125.327 122.820 -0.056 0.000 2.566 419 A HA 0.358 4.676 4.320 -0.003 0.000 0.245 419 A C 1.600 179.159 177.584 -0.040 0.000 1.056 419 A CA 0.858 52.871 52.037 -0.040 0.000 0.757 419 A CB -1.656 17.312 19.000 -0.052 0.000 0.979 419 A HN 0.892 nan 8.150 nan 0.000 0.508 420 G N 1.669 110.455 108.800 -0.023 0.000 2.189 420 G HA2 -0.041 3.918 3.960 -0.003 0.000 0.267 420 G HA3 -0.041 3.918 3.960 -0.003 0.000 0.267 420 G C 0.924 175.783 174.900 -0.068 0.000 0.975 420 G CA 0.838 45.912 45.100 -0.044 0.000 0.644 420 G HN 1.920 nan 8.290 nan 0.000 0.537 421 G N -0.842 107.927 108.800 -0.053 0.000 2.642 421 G HA2 0.888 4.846 3.960 -0.003 0.000 0.291 421 G HA3 0.888 4.846 3.960 -0.003 0.000 0.291 421 G C 0.010 174.894 174.900 -0.026 0.000 1.345 421 G CA 0.607 45.669 45.100 -0.064 0.000 1.043 421 G HN 1.763 nan 8.290 nan 0.000 0.528 422 S N -2.477 113.210 115.700 -0.022 0.000 2.565 422 S HA 0.655 5.123 4.470 -0.003 0.000 0.269 422 S C -1.535 173.102 174.600 0.061 0.000 1.153 422 S CA -0.696 57.520 58.200 0.027 0.000 0.835 422 S CB 1.881 65.090 63.200 0.014 0.000 1.122 422 S HN 0.802 nan 8.310 nan 0.000 0.462 423 V N 2.095 122.080 119.914 0.118 0.000 2.656 423 V HA 0.679 4.797 4.120 -0.003 0.000 0.307 423 V C -0.712 175.500 176.094 0.196 0.000 1.051 423 V CA -0.560 61.840 62.300 0.168 0.000 0.893 423 V CB 1.740 33.665 31.823 0.170 0.000 0.999 423 V HN 1.009 nan 8.190 nan 0.000 0.426 424 M N 6.571 126.321 119.600 0.251 0.000 2.114 424 M HA 0.699 5.177 4.480 -0.003 0.000 0.332 424 M C -1.610 174.746 176.300 0.094 0.000 1.014 424 M CA 0.271 55.686 55.300 0.192 0.000 0.956 424 M CB 0.748 33.505 32.600 0.262 0.000 1.551 424 M HN 0.536 nan 8.290 nan 0.000 0.427 425 L N 3.127 124.385 121.223 0.057 0.000 2.309 425 L HA 0.835 5.174 4.340 -0.003 0.000 0.261 425 L C -0.199 176.652 176.870 -0.031 0.000 1.021 425 L CA -0.980 53.856 54.840 -0.006 0.000 0.823 425 L CB 2.601 44.653 42.059 -0.012 0.000 1.366 425 L HN 0.746 nan 8.230 nan 0.000 0.423 426 T N -1.605 112.906 114.554 -0.072 0.000 2.912 426 T HA 0.754 5.102 4.350 -0.003 0.000 0.288 426 T C -0.720 173.909 174.700 -0.119 0.000 1.030 426 T CA -0.774 61.277 62.100 -0.083 0.000 1.020 426 T CB 2.051 70.868 68.868 -0.086 0.000 1.056 426 T HN 0.214 nan 8.240 nan 0.000 0.480 427 V N 2.932 122.752 119.914 -0.156 0.000 2.376 427 V HA 0.685 4.804 4.120 -0.003 0.000 0.287 427 V C 0.296 176.240 176.094 -0.250 0.000 1.015 427 V CA -0.565 61.578 62.300 -0.263 0.000 0.834 427 V CB 1.099 32.645 31.823 -0.463 0.000 1.001 427 V HN 1.326 nan 8.190 nan 0.000 0.428 428 T N 0.213 114.647 114.554 -0.199 0.000 2.901 428 T HA 0.714 5.062 4.350 -0.003 0.000 0.293 428 T C 0.799 175.420 174.700 -0.133 0.000 1.084 428 T CA -0.034 61.976 62.100 -0.150 0.000 1.008 428 T CB 1.856 70.663 68.868 -0.101 0.000 1.170 428 T HN 1.740 nan 8.240 nan 0.000 0.509 429 G N -0.045 108.693 108.800 -0.103 0.000 2.168 429 G HA2 -0.018 3.940 3.960 -0.003 0.000 0.257 429 G HA3 -0.018 3.940 3.960 -0.003 0.000 0.257 429 G C 0.578 175.425 174.900 -0.089 0.000 0.997 429 G CA 0.252 45.307 45.100 -0.076 0.000 0.708 429 G HN 1.327 nan 8.290 nan 0.000 0.520 430 G N -1.241 107.468 108.800 -0.152 0.000 2.621 430 G HA2 0.551 4.509 3.960 -0.003 0.000 0.271 430 G HA3 0.551 4.509 3.960 -0.003 0.000 0.271 430 G C 0.018 174.860 174.900 -0.097 0.000 1.236 430 G CA 0.535 45.528 45.100 -0.178 0.000 0.958 430 G HN 0.586 nan 8.290 nan 0.000 0.512 431 T N 1.379 115.893 114.554 -0.067 0.000 2.771 431 T HA 0.321 4.669 4.350 -0.003 0.000 0.281 431 T C -0.182 174.501 174.700 -0.029 0.000 0.982 431 T CA -0.427 61.656 62.100 -0.028 0.000 0.978 431 T CB 1.466 70.338 68.868 0.007 0.000 0.930 431 T HN 0.387 nan 8.240 nan 0.000 0.447 432 E N 1.877 122.062 120.200 -0.025 0.000 2.392 432 E HA 0.353 4.701 4.350 -0.003 0.000 0.264 432 E C 0.401 177.003 176.600 0.004 0.000 1.024 432 E CA -0.245 56.145 56.400 -0.017 0.000 0.903 432 E CB 0.800 30.492 29.700 -0.015 0.000 0.963 432 E HN 0.782 nan 8.360 nan 0.000 0.432 433 A N 2.088 124.915 122.820 0.013 0.000 2.507 433 A HA 0.292 4.611 4.320 -0.003 0.000 0.235 433 A C 0.361 177.957 177.584 0.020 0.000 1.070 433 A CA 0.345 52.397 52.037 0.025 0.000 0.768 433 A CB 0.142 19.161 19.000 0.032 0.000 1.011 433 A HN 0.646 nan 8.150 nan 0.000 0.502 434 A N 1.331 124.164 122.820 0.022 0.000 2.546 434 A HA 0.482 4.800 4.320 -0.003 0.000 0.243 434 A C 0.886 178.481 177.584 0.018 0.000 1.063 434 A CA 0.512 52.558 52.037 0.016 0.000 0.757 434 A CB -0.518 18.491 19.000 0.015 0.000 0.991 434 A HN 1.740 nan 8.150 nan 0.000 0.503 435 G N 0.865 109.672 108.800 0.011 0.000 2.462 435 G HA2 0.570 4.528 3.960 -0.003 0.000 0.319 435 G HA3 0.570 4.528 3.960 -0.003 0.000 0.319 435 G C 0.226 175.129 174.900 0.005 0.000 1.171 435 G CA -0.086 45.027 45.100 0.021 0.000 0.920 435 G HN 1.159 nan 8.290 nan 0.000 0.499 436 G N -1.127 107.694 108.800 0.035 0.000 2.400 436 G HA2 0.678 4.636 3.960 -0.003 0.000 0.301 436 G HA3 0.678 4.636 3.960 -0.003 0.000 0.301 436 G C -0.359 174.456 174.900 -0.141 0.000 1.154 436 G CA 0.216 45.269 45.100 -0.078 0.000 0.852 436 G HN 1.053 nan 8.290 nan 0.000 0.511 437 A N 1.016 123.611 122.820 -0.377 0.000 2.342 437 A HA 0.818 5.136 4.320 -0.003 0.000 0.323 437 A C -1.568 175.725 177.584 -0.485 0.000 1.125 437 A CA -0.615 51.275 52.037 -0.245 0.000 0.785 437 A CB 1.059 19.992 19.000 -0.113 0.000 1.221 437 A HN 0.653 nan 8.150 nan 0.000 0.463 438 Y N 0.301 120.641 120.300 0.067 0.000 2.477 438 Y HA 0.628 5.176 4.550 -0.003 0.000 0.347 438 Y C 0.415 176.470 175.900 0.259 0.000 0.981 438 Y CA -0.504 57.686 58.100 0.150 0.000 1.033 438 Y CB 2.351 40.925 38.460 0.190 0.000 1.245 438 Y HN 0.882 nan 8.280 nan 0.000 0.455 439 A N 1.672 124.704 122.820 0.354 0.000 2.312 439 A HA 0.819 5.137 4.320 -0.003 0.000 0.326 439 A C -0.220 177.441 177.584 0.128 0.000 1.172 439 A CA -0.541 51.658 52.037 0.270 0.000 0.821 439 A CB 0.351 19.425 19.000 0.123 0.000 1.166 439 A HN 0.942 nan 8.150 nan 0.000 0.493 440 A N 1.564 124.256 122.820 -0.213 0.000 2.540 440 A HA 0.402 4.721 4.320 -0.003 0.000 0.239 440 A C 1.361 178.804 177.584 -0.235 0.000 1.061 440 A CA 0.670 52.330 52.037 -0.628 0.000 0.758 440 A CB -0.295 18.238 19.000 -0.778 0.000 0.991 440 A HN 1.531 nan 8.150 nan 0.000 0.502 441 T N -0.795 113.648 114.554 -0.185 0.000 3.057 441 T HA 0.315 4.664 4.350 -0.003 0.000 0.254 441 T C 0.666 175.316 174.700 -0.084 0.000 1.094 441 T CA 0.685 62.736 62.100 -0.081 0.000 1.088 441 T CB -0.485 68.364 68.868 -0.031 0.000 0.934 441 T HN 1.500 nan 8.240 nan 0.000 0.497 442 S N -0.128 115.498 115.700 -0.123 0.000 2.672 442 S HA 0.455 4.923 4.470 -0.003 0.000 0.271 442 S C -0.738 173.787 174.600 -0.125 0.000 1.171 442 S CA -0.932 57.211 58.200 -0.095 0.000 0.817 442 S CB 0.825 63.987 63.200 -0.063 0.000 1.150 442 S HN 0.063 nan 8.310 nan 0.000 0.478 443 T N 1.876 116.379 114.554 -0.085 0.000 2.778 443 T HA 0.426 4.774 4.350 -0.003 0.000 0.282 443 T C 1.471 176.120 174.700 -0.085 0.000 0.983 443 T CA 1.356 63.408 62.100 -0.080 0.000 1.193 443 T CB -0.638 68.201 68.868 -0.048 0.000 0.938 443 T HN 1.970 nan 8.240 nan 0.000 0.523 444 G N 3.401 112.138 108.800 -0.106 0.000 2.168 444 G HA2 -0.300 3.659 3.960 -0.003 0.000 0.257 444 G HA3 -0.300 3.659 3.960 -0.003 0.000 0.257 444 G C 0.151 175.015 174.900 -0.060 0.000 0.997 444 G CA 0.416 45.483 45.100 -0.055 0.000 0.708 444 G HN 0.815 nan 8.290 nan 0.000 0.520 445 R N -0.506 119.875 120.500 -0.197 0.000 2.476 445 R HA 0.600 4.939 4.340 -0.003 0.000 0.305 445 R C -1.127 175.002 176.300 -0.285 0.000 0.965 445 R CA -0.806 55.214 56.100 -0.133 0.000 0.867 445 R CB 0.756 31.010 30.300 -0.077 0.000 1.176 445 R HN 0.127 nan 8.270 nan 0.000 0.447 446 Y N 2.502 122.794 120.300 -0.013 0.000 2.331 446 Y HA 0.304 4.852 4.550 -0.003 0.000 0.338 446 Y C 0.561 176.419 175.900 -0.070 0.000 0.976 446 Y CA -0.291 57.791 58.100 -0.029 0.000 1.137 446 Y CB 2.155 40.585 38.460 -0.050 0.000 1.172 446 Y HN 0.558 nan 8.280 nan 0.000 0.478 447 T N -1.621 112.968 114.554 0.058 0.000 2.926 447 T HA 0.615 4.964 4.350 -0.003 0.000 0.289 447 T C 0.788 175.497 174.700 0.015 0.000 1.054 447 T CA -0.547 61.563 62.100 0.016 0.000 1.015 447 T CB 1.614 70.492 68.868 0.018 0.000 1.167 447 T HN 1.100 nan 8.240 nan 0.000 0.526 448 G N 0.060 108.866 108.800 0.010 0.000 2.179 448 G HA2 -0.200 3.758 3.960 -0.003 0.000 0.257 448 G HA3 -0.200 3.758 3.960 -0.003 0.000 0.257 448 G C 0.065 174.971 174.900 0.011 0.000 1.010 448 G CA 0.035 45.166 45.100 0.051 0.000 0.736 448 G HN 1.125 nan 8.290 nan 0.000 0.513 449 V N 0.941 120.734 119.914 -0.200 0.000 2.572 449 V HA 0.465 4.583 4.120 -0.003 0.000 0.291 449 V C 0.925 176.960 176.094 -0.100 0.000 1.039 449 V CA 0.675 62.701 62.300 -0.457 0.000 1.055 449 V CB 1.342 32.833 31.823 -0.554 0.000 0.969 449 V HN 0.345 nan 8.190 nan 0.000 0.482 450 T N 4.444 119.039 114.554 0.068 0.000 2.823 450 T HA 0.743 5.091 4.350 -0.003 0.000 0.279 450 T C -0.163 174.591 174.700 0.091 0.000 0.998 450 T CA -0.296 61.872 62.100 0.114 0.000 0.994 450 T CB 1.640 70.614 68.868 0.177 0.000 0.960 450 T HN 0.947 nan 8.240 nan 0.000 0.448 451 A N 1.274 124.131 122.820 0.061 0.000 2.374 451 A HA 0.780 5.098 4.320 -0.003 0.000 0.305 451 A C 1.010 178.624 177.584 0.050 0.000 1.053 451 A CA -0.529 51.539 52.037 0.052 0.000 0.726 451 A CB 1.080 20.101 19.000 0.035 0.000 1.229 451 A HN 0.916 nan 8.150 nan 0.000 0.431 452 A N 1.179 124.029 122.820 0.050 0.000 2.015 452 A HA 0.355 4.673 4.320 -0.003 0.000 0.219 452 A C 1.235 178.845 177.584 0.043 0.000 1.163 452 A CA 1.826 53.890 52.037 0.046 0.000 0.646 452 A CB -0.182 18.845 19.000 0.044 0.000 0.806 452 A HN 1.598 nan 8.150 nan 0.000 0.448 453 S N -2.182 113.543 115.700 0.041 0.000 2.564 453 S HA 0.487 4.955 4.470 -0.003 0.000 0.274 453 S C -0.382 174.239 174.600 0.036 0.000 1.124 453 S CA -0.420 57.804 58.200 0.040 0.000 0.869 453 S CB 1.247 64.472 63.200 0.040 0.000 1.105 453 S HN 0.189 nan 8.310 nan 0.000 0.472 454 T N 2.842 117.418 114.554 0.037 0.000 2.928 454 T HA 0.583 4.932 4.350 -0.003 0.000 0.305 454 T C 0.598 175.308 174.700 0.017 0.000 1.035 454 T CA 0.935 63.052 62.100 0.029 0.000 1.145 454 T CB 0.240 69.130 68.868 0.038 0.000 0.963 454 T HN 1.251 nan 8.240 nan 0.000 0.545 455 G N 1.688 110.491 108.800 0.005 0.000 2.352 455 G HA2 0.303 4.261 3.960 -0.003 0.000 0.283 455 G HA3 0.303 4.261 3.960 -0.003 0.000 0.283 455 G C -1.910 172.988 174.900 -0.004 0.000 1.308 455 G CA -1.111 43.986 45.100 -0.005 0.000 0.892 455 G HN 0.706 nan 8.290 nan 0.000 0.504 456 L N 1.434 122.654 121.223 -0.005 0.000 2.349 456 L HA 0.589 4.928 4.340 -0.003 0.000 0.275 456 L C 0.195 177.068 176.870 0.004 0.000 1.115 456 L CA -0.392 54.446 54.840 -0.003 0.000 0.820 456 L CB 0.798 42.854 42.059 -0.004 0.000 1.135 456 L HN 0.587 nan 8.230 nan 0.000 0.445 457 N N 2.617 121.317 118.700 0.001 0.000 2.262 457 N HA 0.463 5.202 4.740 -0.003 0.000 0.295 457 N C -1.582 173.926 175.510 -0.003 0.000 1.161 457 N CA -0.602 52.450 53.050 0.004 0.000 0.767 457 N CB 2.463 40.951 38.487 0.003 0.000 1.499 457 N HN 0.220 nan 8.380 nan 0.000 0.476 458 V N 1.855 121.769 119.914 0.001 0.000 2.394 458 V HA 0.345 4.463 4.120 -0.003 0.000 0.282 458 V C 0.007 176.094 176.094 -0.012 0.000 1.031 458 V CA -0.584 61.712 62.300 -0.007 0.000 0.881 458 V CB 1.510 33.332 31.823 -0.001 0.000 0.982 458 V HN 0.321 nan 8.190 nan 0.000 0.451 459 V N 4.230 124.124 119.914 -0.032 0.000 2.417 459 V HA 0.459 4.577 4.120 -0.003 0.000 0.291 459 V C -0.617 175.452 176.094 -0.042 0.000 1.024 459 V CA -0.742 61.532 62.300 -0.044 0.000 0.861 459 V CB 1.877 33.652 31.823 -0.081 0.000 0.985 459 V HN 0.816 nan 8.190 nan 0.000 0.436 460 D N 3.816 124.203 120.400 -0.022 0.000 2.303 460 D HA 0.416 5.055 4.640 -0.003 0.000 0.236 460 D C -0.526 175.780 176.300 0.010 0.000 1.068 460 D CA -0.155 53.846 54.000 0.001 0.000 0.830 460 D CB 2.346 43.156 40.800 0.018 0.000 1.109 460 D HN 0.242 nan 8.370 nan 0.000 0.496 461 V N 1.845 121.790 119.914 0.052 0.000 2.347 461 V HA 0.512 4.630 4.120 -0.003 0.000 0.280 461 V C 0.511 176.766 176.094 0.269 0.000 1.021 461 V CA -0.872 61.491 62.300 0.106 0.000 0.847 461 V CB 1.184 33.096 31.823 0.149 0.000 0.990 461 V HN 0.651 nan 8.190 nan 0.000 0.444 462 A N 5.913 128.863 122.820 0.217 0.000 2.354 462 A HA 0.846 5.164 4.320 -0.003 0.000 0.269 462 A C -0.670 177.117 177.584 0.339 0.000 1.109 462 A CA -0.134 52.044 52.037 0.236 0.000 0.800 462 A CB 0.376 19.447 19.000 0.118 0.000 1.045 462 A HN 1.314 nan 8.150 nan 0.000 0.489 463 Y N -1.500 118.850 120.300 0.084 0.000 2.741 463 Y HA 0.691 5.239 4.550 -0.003 0.000 0.339 463 Y C -0.775 175.145 175.900 0.034 0.000 1.226 463 Y CA -1.019 57.104 58.100 0.038 0.000 1.072 463 Y CB 0.539 38.998 38.460 -0.002 0.000 1.331 463 Y HN 0.455 nan 8.280 nan 0.000 0.453 464 T N 2.881 117.394 114.554 -0.070 0.000 2.824 464 T HA 0.395 4.743 4.350 -0.003 0.000 0.282 464 T C -1.381 173.352 174.700 0.054 0.000 0.993 464 T CA -0.663 61.352 62.100 -0.141 0.000 0.967 464 T CB 0.926 69.755 68.868 -0.063 0.000 0.960 464 T HN 0.678 nan 8.240 nan 0.000 0.441 465 N N 2.677 121.407 118.700 0.050 0.000 2.762 465 N HA 0.165 4.903 4.740 -0.003 0.000 0.252 465 N C -0.721 174.834 175.510 0.075 0.000 1.269 465 N CA -0.506 52.635 53.050 0.152 0.000 0.799 465 N CB 0.409 39.101 38.487 0.341 0.000 1.173 465 N HN 0.354 nan 8.380 nan 0.000 0.516 466 N N 1.661 120.384 118.700 0.038 0.000 3.091 466 N HA 0.090 4.828 4.740 -0.003 0.000 0.301 466 N C -0.738 174.791 175.510 0.031 0.000 1.325 466 N CA 0.061 53.124 53.050 0.022 0.000 1.143 466 N CB -0.060 38.431 38.487 0.006 0.000 1.450 466 N HN 0.612 nan 8.380 nan 0.000 0.542 467 T N -4.091 110.491 114.554 0.047 0.000 2.831 467 T HA 0.339 4.688 4.350 -0.003 0.000 0.287 467 T C 0.964 175.693 174.700 0.049 0.000 1.070 467 T CA -0.429 61.697 62.100 0.044 0.000 1.010 467 T CB 0.752 69.648 68.868 0.047 0.000 1.264 467 T HN 0.031 nan 8.240 nan 0.000 0.532 468 S N -0.415 115.311 115.700 0.043 0.000 2.593 468 S HA 0.316 4.784 4.470 -0.003 0.000 0.217 468 S C 0.414 175.045 174.600 0.052 0.000 0.966 468 S CA -0.443 57.783 58.200 0.043 0.000 0.914 468 S CB -0.317 62.903 63.200 0.033 0.000 0.776 468 S HN 0.632 nan 8.310 nan 0.000 0.523 469 S N 1.274 117.011 115.700 0.061 0.000 2.526 469 S HA 0.781 5.249 4.470 -0.003 0.000 0.293 469 S C -0.131 174.523 174.600 0.090 0.000 1.092 469 S CA -0.692 57.549 58.200 0.068 0.000 0.980 469 S CB 1.672 64.907 63.200 0.059 0.000 1.048 469 S HN 0.620 nan 8.310 nan 0.000 0.483 470 A N 2.783 125.660 122.820 0.095 0.000 2.483 470 A HA 0.480 4.798 4.320 -0.003 0.000 0.238 470 A C 0.269 177.927 177.584 0.123 0.000 1.070 470 A CA 0.114 52.222 52.037 0.118 0.000 0.770 470 A CB 0.152 19.207 19.000 0.091 0.000 1.008 470 A HN 0.792 nan 8.150 nan 0.000 0.497 471 R N -0.094 120.502 120.500 0.160 0.000 2.778 471 R HA 0.646 4.984 4.340 -0.003 0.000 0.277 471 R C -0.360 176.080 176.300 0.233 0.000 0.977 471 R CA -0.357 55.831 56.100 0.147 0.000 0.950 471 R CB 2.025 32.379 30.300 0.089 0.000 1.165 471 R HN 0.844 nan 8.270 nan 0.000 0.474 472 T N -1.590 113.082 114.554 0.196 0.000 2.932 472 T HA 0.839 5.188 4.350 -0.003 0.000 0.289 472 T C -0.477 174.355 174.700 0.221 0.000 1.039 472 T CA -0.861 61.387 62.100 0.248 0.000 1.024 472 T CB 2.028 71.007 68.868 0.185 0.000 1.090 472 T HN 0.639 nan 8.240 nan 0.000 0.496 473 A N 1.178 124.170 122.820 0.287 0.000 2.469 473 A HA 0.773 5.091 4.320 -0.003 0.000 0.299 473 A C -0.050 177.618 177.584 0.140 0.000 1.098 473 A CA -0.963 51.192 52.037 0.198 0.000 0.737 473 A CB 1.401 20.551 19.000 0.250 0.000 1.312 473 A HN 0.852 nan 8.150 nan 0.000 0.414 474 T N 1.482 116.085 114.554 0.082 0.000 2.806 474 T HA 0.480 4.828 4.350 -0.003 0.000 0.290 474 T C -0.555 174.176 174.700 0.052 0.000 0.966 474 T CA 0.093 62.222 62.100 0.049 0.000 1.060 474 T CB 0.568 69.450 68.868 0.024 0.000 0.927 474 T HN 0.645 nan 8.240 nan 0.000 0.485 475 L N 3.705 124.946 121.223 0.030 0.000 2.333 475 L HA 0.563 4.901 4.340 -0.003 0.000 0.280 475 L C -0.540 176.332 176.870 0.005 0.000 1.004 475 L CA -0.312 54.538 54.840 0.017 0.000 0.820 475 L CB 1.679 43.722 42.059 -0.027 0.000 1.247 475 L HN 0.620 nan 8.230 nan 0.000 0.416 476 Q N 3.754 123.562 119.800 0.014 0.000 2.321 476 Q HA 0.587 4.926 4.340 -0.003 0.000 0.270 476 Q C -1.798 174.209 176.000 0.011 0.000 1.032 476 Q CA -0.797 55.012 55.803 0.010 0.000 0.784 476 Q CB 2.200 30.948 28.738 0.016 0.000 1.264 476 Q HN 0.624 nan 8.270 nan 0.000 0.448 477 V N 5.565 125.482 119.914 0.004 0.000 2.383 477 V HA 0.256 4.374 4.120 -0.003 0.000 0.275 477 V C 0.319 176.422 176.094 0.014 0.000 1.036 477 V CA -0.449 61.852 62.300 0.002 0.000 0.889 477 V CB 0.875 32.692 31.823 -0.010 0.000 0.985 477 V HN 0.985 nan 8.190 nan 0.000 0.459 478 N N 4.127 122.837 118.700 0.017 0.000 1.161 478 N HA -0.232 4.506 4.740 -0.003 0.000 0.111 478 N C 1.268 176.803 175.510 0.042 0.000 0.779 478 N CA 1.859 54.926 53.050 0.030 0.000 0.845 478 N CB -1.042 37.465 38.487 0.034 0.000 1.034 478 N HN 0.925 nan 8.380 nan 0.000 0.629 479 G N 0.590 109.427 108.800 0.062 0.000 3.448 479 G HA2 0.192 4.150 3.960 -0.003 0.000 0.261 479 G HA3 0.192 4.150 3.960 -0.003 0.000 0.261 479 G C 0.362 175.312 174.900 0.084 0.000 1.173 479 G CA 0.008 45.158 45.100 0.083 0.000 0.835 479 G HN 0.391 nan 8.290 nan 0.000 0.534 480 Q N 0.174 120.005 119.800 0.052 0.000 2.471 480 Q HA 0.251 4.589 4.340 -0.003 0.000 0.223 480 Q C 0.142 176.148 176.000 0.010 0.000 1.045 480 Q CA -0.122 55.698 55.803 0.028 0.000 0.956 480 Q CB 0.451 29.199 28.738 0.016 0.000 1.249 480 Q HN 0.103 nan 8.270 nan 0.000 0.549 481 T N 1.436 115.978 114.554 -0.020 0.000 2.908 481 T HA 0.169 4.518 4.350 -0.003 0.000 0.301 481 T C 0.029 174.714 174.700 -0.024 0.000 1.019 481 T CA -0.191 61.887 62.100 -0.037 0.000 1.152 481 T CB 0.342 69.168 68.868 -0.070 0.000 0.966 481 T HN 0.595 nan 8.240 nan 0.000 0.540 482 A N 3.304 126.110 122.820 -0.023 0.000 2.296 482 A HA 0.635 4.953 4.320 -0.003 0.000 0.264 482 A C 0.723 178.288 177.584 -0.031 0.000 1.097 482 A CA -0.366 51.660 52.037 -0.018 0.000 0.811 482 A CB 0.593 19.586 19.000 -0.012 0.000 1.072 482 A HN 0.792 nan 8.150 nan 0.000 0.495 483 T N -1.235 113.308 114.554 -0.017 0.000 2.838 483 T HA 0.638 4.986 4.350 -0.003 0.000 0.292 483 T C -0.649 174.055 174.700 0.006 0.000 1.113 483 T CA -0.273 61.822 62.100 -0.008 0.000 1.008 483 T CB 1.486 70.408 68.868 0.090 0.000 1.259 483 T HN 0.672 nan 8.240 nan 0.000 0.520 484 T N 1.668 116.234 114.554 0.020 0.000 2.823 484 T HA 0.684 5.032 4.350 -0.003 0.000 0.279 484 T C -0.934 173.900 174.700 0.223 0.000 0.998 484 T CA -0.453 61.668 62.100 0.036 0.000 0.994 484 T CB 1.307 70.104 68.868 -0.119 0.000 0.960 484 T HN 0.461 nan 8.240 nan 0.000 0.448 485 V N 2.286 122.292 119.914 0.154 0.000 2.540 485 V HA 0.611 4.729 4.120 -0.003 0.000 0.302 485 V C 0.064 176.132 176.094 -0.044 0.000 1.035 485 V CA -0.799 61.512 62.300 0.018 0.000 0.873 485 V CB 2.004 33.648 31.823 -0.298 0.000 0.992 485 V HN 0.887 nan 8.190 nan 0.000 0.428 486 S N 3.711 119.327 115.700 -0.140 0.000 2.489 486 S HA 0.750 5.218 4.470 -0.003 0.000 0.291 486 S C -1.101 173.227 174.600 -0.454 0.000 1.151 486 S CA -0.352 57.753 58.200 -0.157 0.000 1.082 486 S CB 0.391 63.496 63.200 -0.158 0.000 1.019 486 S HN 0.419 nan 8.310 nan 0.000 0.492 487 F N 5.238 125.104 119.950 -0.141 0.000 2.434 487 F HA 0.414 4.939 4.527 -0.003 0.000 0.367 487 F C -2.179 173.620 175.800 -0.001 0.000 1.093 487 F CA -1.977 55.856 58.000 -0.278 0.000 1.085 487 F CB 1.411 40.050 39.000 -0.600 0.000 1.322 487 F HN 0.371 nan 8.300 nan 0.000 0.452 488 P HA 0.141 nan 4.420 nan 0.000 0.272 488 P C -2.538 174.933 177.300 0.285 0.000 1.240 488 P CA -1.242 61.978 63.100 0.201 0.000 0.791 488 P CB 0.118 31.898 31.700 0.134 0.000 0.978 489 P HA -0.054 nan 4.420 nan 0.000 0.264 489 P C 0.705 178.065 177.300 0.101 0.000 1.179 489 P CA 0.867 64.048 63.100 0.135 0.000 0.763 489 P CB 0.037 31.787 31.700 0.083 0.000 0.806 490 T N -0.445 114.132 114.554 0.040 0.000 2.975 490 T HA 0.430 4.778 4.350 -0.003 0.000 0.257 490 T C 0.921 175.596 174.700 -0.041 0.000 1.003 490 T CA 0.355 62.424 62.100 -0.051 0.000 0.932 490 T CB -0.454 68.286 68.868 -0.213 0.000 1.087 490 T HN 0.668 nan 8.240 nan 0.000 0.512 491 G N 1.265 110.057 108.800 -0.014 0.000 2.642 491 G HA2 0.044 4.002 3.960 -0.003 0.000 0.231 491 G HA3 0.044 4.002 3.960 -0.003 0.000 0.231 491 G C 0.957 175.841 174.900 -0.027 0.000 1.338 491 G CA -0.096 44.995 45.100 -0.015 0.000 0.883 491 G HN 1.058 nan 8.290 nan 0.000 0.570 492 A N -0.654 122.152 122.820 -0.023 0.000 2.014 492 A HA 0.511 4.830 4.320 -0.003 0.000 0.218 492 A C 1.712 179.273 177.584 -0.038 0.000 1.163 492 A CA 2.265 54.287 52.037 -0.024 0.000 0.652 492 A CB -0.291 18.700 19.000 -0.016 0.000 0.808 492 A HN 1.567 nan 8.150 nan 0.000 0.449 493 S N -0.434 115.238 115.700 -0.047 0.000 2.616 493 S HA 0.602 5.071 4.470 -0.003 0.000 0.277 493 S C 0.406 174.946 174.600 -0.100 0.000 1.234 493 S CA -0.225 57.941 58.200 -0.058 0.000 1.028 493 S CB 1.366 64.539 63.200 -0.046 0.000 0.988 493 S HN 0.674 nan 8.310 nan 0.000 0.522 494 A N 1.527 124.285 122.820 -0.104 0.000 2.406 494 A HA 0.664 4.982 4.320 -0.003 0.000 0.243 494 A C 0.658 178.128 177.584 -0.190 0.000 1.082 494 A CA 0.141 52.077 52.037 -0.167 0.000 0.786 494 A CB -0.220 18.721 19.000 -0.099 0.000 1.029 494 A HN 0.961 nan 8.150 nan 0.000 0.495 495 G N -1.011 107.596 108.800 -0.321 0.000 2.766 495 G HA2 0.672 4.630 3.960 -0.003 0.000 0.288 495 G HA3 0.672 4.630 3.960 -0.003 0.000 0.288 495 G C -0.575 174.262 174.900 -0.105 0.000 1.408 495 G CA 0.189 45.165 45.100 -0.208 0.000 0.852 495 G HN 1.348 nan 8.290 nan 0.000 0.487 496 T N -2.196 112.399 114.554 0.069 0.000 2.908 496 T HA 0.748 5.096 4.350 -0.003 0.000 0.290 496 T C -0.049 174.816 174.700 0.274 0.000 1.034 496 T CA -0.438 61.796 62.100 0.224 0.000 1.010 496 T CB 1.437 70.376 68.868 0.119 0.000 1.068 496 T HN 1.489 nan 8.240 nan 0.000 0.481 497 V N -0.577 119.500 119.914 0.272 0.000 2.881 497 V HA 0.904 5.022 4.120 -0.003 0.000 0.316 497 V C -0.270 175.813 176.094 -0.019 0.000 1.070 497 V CA -0.869 61.463 62.300 0.053 0.000 0.976 497 V CB 1.683 33.419 31.823 -0.144 0.000 1.038 497 V HN 1.041 nan 8.190 nan 0.000 0.446 498 S N 1.167 116.836 115.700 -0.052 0.000 2.532 498 S HA 0.885 5.353 4.470 -0.003 0.000 0.301 498 S C -0.388 174.158 174.600 -0.089 0.000 1.083 498 S CA -0.437 57.730 58.200 -0.054 0.000 1.025 498 S CB 1.653 64.840 63.200 -0.021 0.000 1.056 498 S HN 1.598 nan 8.310 nan 0.000 0.494 499 V N -0.131 119.720 119.914 -0.103 0.000 2.925 499 V HA 0.664 4.782 4.120 -0.003 0.000 0.311 499 V C -0.965 175.093 176.094 -0.061 0.000 1.104 499 V CA -1.025 61.197 62.300 -0.129 0.000 0.954 499 V CB 1.760 33.396 31.823 -0.313 0.000 1.022 499 V HN 0.833 nan 8.190 nan 0.000 0.427 500 E N 1.762 121.957 120.200 -0.009 0.000 2.216 500 E HA 0.670 5.018 4.350 -0.003 0.000 0.279 500 E C -0.616 175.980 176.600 -0.006 0.000 0.997 500 E CA -0.655 55.745 56.400 0.000 0.000 0.817 500 E CB 2.163 31.875 29.700 0.021 0.000 1.096 500 E HN 0.960 nan 8.360 nan 0.000 0.393 501 V N -0.438 119.465 119.914 -0.018 0.000 2.962 501 V HA 0.617 4.735 4.120 -0.003 0.000 0.313 501 V C -0.434 175.653 176.094 -0.012 0.000 1.099 501 V CA -0.908 61.380 62.300 -0.019 0.000 0.971 501 V CB 2.042 33.840 31.823 -0.040 0.000 1.028 501 V HN 0.519 nan 8.190 nan 0.000 0.430 502 S N 2.717 118.411 115.700 -0.009 0.000 2.457 502 S HA 0.807 5.275 4.470 -0.003 0.000 0.289 502 S C -0.646 173.948 174.600 -0.008 0.000 1.163 502 S CA -0.554 57.640 58.200 -0.010 0.000 1.078 502 S CB 0.099 63.291 63.200 -0.013 0.000 0.987 502 S HN 0.692 nan 8.310 nan 0.000 0.482 503 L N 2.961 124.181 121.223 -0.006 0.000 2.323 503 L HA 0.562 4.901 4.340 -0.003 0.000 0.265 503 L C 0.084 176.960 176.870 0.010 0.000 1.012 503 L CA -0.921 53.918 54.840 -0.001 0.000 0.820 503 L CB 2.246 44.302 42.059 -0.006 0.000 1.334 503 L HN 0.485 nan 8.230 nan 0.000 0.427 504 S N 0.517 116.227 115.700 0.017 0.000 2.562 504 S HA 0.207 4.675 4.470 -0.003 0.000 0.275 504 S C -0.221 174.398 174.600 0.031 0.000 1.281 504 S CA -0.580 57.638 58.200 0.030 0.000 1.045 504 S CB 1.226 64.449 63.200 0.038 0.000 0.962 504 S HN 0.407 nan 8.310 nan 0.000 0.503 505 K N 1.536 121.959 120.400 0.038 0.000 2.511 505 K HA 0.304 4.622 4.320 -0.003 0.000 0.280 505 K C 0.719 177.343 176.600 0.040 0.000 1.008 505 K CA 0.971 57.282 56.287 0.040 0.000 1.050 505 K CB -0.343 32.184 32.500 0.045 0.000 0.889 505 K HN 0.893 nan 8.250 nan 0.000 0.484 506 G N 1.563 110.388 108.800 0.041 0.000 2.396 506 G HA2 -0.196 3.762 3.960 -0.003 0.000 0.254 506 G HA3 -0.196 3.762 3.960 -0.003 0.000 0.254 506 G C -0.265 174.662 174.900 0.044 0.000 1.248 506 G CA -0.142 44.983 45.100 0.042 0.000 1.033 506 G HN 0.768 nan 8.290 nan 0.000 0.502 507 S N -1.355 114.371 115.700 0.045 0.000 2.651 507 S HA 0.626 5.094 4.470 -0.003 0.000 0.246 507 S C 1.140 175.761 174.600 0.034 0.000 1.039 507 S CA 0.992 59.223 58.200 0.052 0.000 1.013 507 S CB 1.053 64.296 63.200 0.072 0.000 0.861 507 S HN 2.127 nan 8.310 nan 0.000 0.485 508 A N 1.517 124.352 122.820 0.024 0.000 2.423 508 A HA 0.344 4.662 4.320 -0.003 0.000 0.246 508 A C 0.443 178.030 177.584 0.006 0.000 1.278 508 A CA -0.568 51.480 52.037 0.018 0.000 0.903 508 A CB -0.093 18.921 19.000 0.023 0.000 0.997 508 A HN 0.504 nan 8.150 nan 0.000 0.510 509 N N 1.776 120.469 118.700 -0.012 0.000 2.530 509 N HA 0.272 5.010 4.740 -0.003 0.000 0.273 509 N C -0.322 175.162 175.510 -0.043 0.000 1.173 509 N CA 0.770 53.803 53.050 -0.028 0.000 0.967 509 N CB 1.150 39.610 38.487 -0.046 0.000 1.109 509 N HN 0.396 nan 8.380 nan 0.000 0.453 510 T N -1.020 113.521 114.554 -0.023 0.000 2.861 510 T HA 0.596 4.945 4.350 -0.003 0.000 0.287 510 T C -0.538 174.164 174.700 0.003 0.000 1.003 510 T CA -0.832 61.264 62.100 -0.007 0.000 0.977 510 T CB 1.157 70.031 68.868 0.010 0.000 0.996 510 T HN 0.109 nan 8.240 nan 0.000 0.448 511 L N 2.424 123.668 121.223 0.035 0.000 2.319 511 L HA 0.773 5.111 4.340 -0.003 0.000 0.281 511 L C 0.007 176.951 176.870 0.123 0.000 1.005 511 L CA -0.628 54.244 54.840 0.054 0.000 0.828 511 L CB 1.591 43.659 42.059 0.014 0.000 1.227 511 L HN 1.069 nan 8.230 nan 0.000 0.415 512 A N 5.009 127.877 122.820 0.080 0.000 2.318 512 A HA 0.879 5.198 4.320 -0.003 0.000 0.317 512 A C -0.941 176.688 177.584 0.075 0.000 1.159 512 A CA -0.436 51.646 52.037 0.075 0.000 0.799 512 A CB 0.730 19.754 19.000 0.040 0.000 1.194 512 A HN 0.612 nan 8.150 nan 0.000 0.479 513 L N 1.677 122.954 121.223 0.090 0.000 2.334 513 L HA 0.616 4.954 4.340 -0.003 0.000 0.276 513 L C 0.017 176.914 176.870 0.045 0.000 1.014 513 L CA -0.341 54.548 54.840 0.082 0.000 0.815 513 L CB 2.249 44.378 42.059 0.117 0.000 1.268 513 L HN 0.638 nan 8.230 nan 0.000 0.428 514 S N 1.216 116.940 115.700 0.039 0.000 2.561 514 S HA 0.825 5.293 4.470 -0.003 0.000 0.303 514 S C 0.090 174.702 174.600 0.021 0.000 1.110 514 S CA -0.238 57.975 58.200 0.021 0.000 1.034 514 S CB 1.770 64.980 63.200 0.018 0.000 1.010 514 S HN 1.079 nan 8.310 nan 0.000 0.482 515 G N 1.874 110.675 108.800 0.003 0.000 2.796 515 G HA2 0.384 4.342 3.960 -0.003 0.000 0.571 515 G HA3 0.384 4.342 3.960 -0.003 0.000 0.571 515 G C 0.301 175.183 174.900 -0.029 0.000 1.370 515 G CA -0.316 44.782 45.100 -0.002 0.000 0.856 515 G HN 2.007 nan 8.290 nan 0.000 0.538 516 G N -0.750 108.027 108.800 -0.039 0.000 2.750 516 G HA2 0.283 4.241 3.960 -0.003 0.000 0.228 516 G HA3 0.283 4.241 3.960 -0.003 0.000 0.228 516 G C -1.445 173.335 174.900 -0.200 0.000 1.367 516 G CA 0.683 45.710 45.100 -0.121 0.000 0.871 516 G HN 1.702 nan 8.290 nan 0.000 0.560 517 P HA 0.510 nan 4.420 nan 0.000 0.274 517 P C 0.235 177.409 177.300 -0.210 0.000 1.231 517 P CA 0.537 63.499 63.100 -0.231 0.000 0.790 517 P CB 0.701 32.281 31.700 -0.201 0.000 0.951 518 A N 2.495 125.263 122.820 -0.087 0.000 2.546 518 A HA 0.349 4.668 4.320 -0.003 0.000 0.243 518 A C 0.946 178.528 177.584 -0.003 0.000 1.063 518 A CA 0.253 52.266 52.037 -0.041 0.000 0.757 518 A CB -0.866 18.127 19.000 -0.013 0.000 0.991 518 A HN 0.665 nan 8.150 nan 0.000 0.503 519 T N 0.180 114.757 114.554 0.039 0.000 2.927 519 T HA 0.576 4.924 4.350 -0.003 0.000 0.281 519 T C 0.074 174.880 174.700 0.177 0.000 0.998 519 T CA -0.508 61.678 62.100 0.144 0.000 1.019 519 T CB 1.346 70.349 68.868 0.225 0.000 1.061 519 T HN 0.620 nan 8.240 nan 0.000 0.518 520 E N -0.012 120.307 120.200 0.198 0.000 2.812 520 E HA 0.475 4.824 4.350 -0.003 0.000 0.211 520 E C 0.364 177.075 176.600 0.186 0.000 0.986 520 E CA -0.673 55.819 56.400 0.154 0.000 1.119 520 E CB 0.620 30.376 29.700 0.094 0.000 1.046 520 E HN 1.118 nan 8.360 nan 0.000 0.474 521 G N 1.710 110.685 108.800 0.291 0.000 2.375 521 G HA2 0.050 4.008 3.960 -0.003 0.000 0.663 521 G HA3 0.050 4.008 3.960 -0.003 0.000 0.663 521 G C -1.005 173.928 174.900 0.055 0.000 1.391 521 G CA -0.850 44.410 45.100 0.267 0.000 0.949 521 G HN 0.174 nan 8.290 nan 0.000 0.646 522 I N -1.935 118.589 120.570 -0.077 0.000 2.785 522 I HA 0.924 5.093 4.170 -0.003 0.000 0.302 522 I C -0.315 175.821 176.117 0.032 0.000 1.069 522 I CA -1.004 60.206 61.300 -0.150 0.000 1.045 522 I CB 2.614 40.339 38.000 -0.459 0.000 1.236 522 I HN 0.483 nan 8.210 nan 0.000 0.429 523 T N 4.075 118.644 114.554 0.025 0.000 2.807 523 T HA 0.607 4.955 4.350 -0.003 0.000 0.279 523 T C -0.609 174.129 174.700 0.062 0.000 0.993 523 T CA -0.440 61.694 62.100 0.058 0.000 0.970 523 T CB 1.845 70.730 68.868 0.028 0.000 0.950 523 T HN 0.441 nan 8.240 nan 0.000 0.441 524 V N 4.597 124.580 119.914 0.116 0.000 2.444 524 V HA 0.570 4.688 4.120 -0.003 0.000 0.294 524 V C -0.110 176.030 176.094 0.077 0.000 1.022 524 V CA -0.874 61.483 62.300 0.095 0.000 0.850 524 V CB 1.575 33.487 31.823 0.148 0.000 0.992 524 V HN 0.717 nan 8.190 nan 0.000 0.426 525 R N 5.410 125.936 120.500 0.043 0.000 2.621 525 R HA 0.546 4.884 4.340 -0.003 0.000 0.292 525 R C -2.856 173.462 176.300 0.029 0.000 0.969 525 R CA -1.776 54.345 56.100 0.035 0.000 0.887 525 R CB 3.220 33.534 30.300 0.022 0.000 1.180 525 R HN 0.432 nan 8.270 nan 0.000 0.450 526 P HA 0.191 nan 4.420 nan 0.000 0.281 526 P C -0.747 176.568 177.300 0.026 0.000 1.249 526 P CA -0.371 62.746 63.100 0.029 0.000 0.810 526 P CB 1.052 32.773 31.700 0.035 0.000 1.008 527 L N 3.845 125.082 121.223 0.023 0.000 2.335 527 L HA 0.285 4.623 4.340 -0.003 0.000 0.268 527 L C -1.666 175.220 176.870 0.027 0.000 1.037 527 L CA -1.865 52.990 54.840 0.025 0.000 0.895 527 L CB 1.546 43.617 42.059 0.020 0.000 1.266 527 L HN 0.167 nan 8.230 nan 0.000 0.439 528 P HA -0.112 nan 4.420 nan 0.000 0.222 528 P C 1.635 178.954 177.300 0.031 0.000 1.147 528 P CA 0.782 63.904 63.100 0.036 0.000 0.790 528 P CB 0.345 32.072 31.700 0.045 0.000 0.780 529 G N -0.315 108.504 108.800 0.031 0.000 2.479 529 G HA2 -0.241 3.717 3.960 -0.003 0.000 0.220 529 G HA3 -0.241 3.717 3.960 -0.003 0.000 0.220 529 G C 1.329 176.231 174.900 0.003 0.000 1.115 529 G CA 1.566 46.677 45.100 0.018 0.000 0.757 529 G HN 0.391 nan 8.290 nan 0.000 0.560 530 T N -1.668 112.889 114.554 0.005 0.000 3.107 530 T HA 0.166 4.514 4.350 -0.003 0.000 0.249 530 T C 0.708 175.407 174.700 -0.002 0.000 1.096 530 T CA -0.591 61.505 62.100 -0.006 0.000 1.012 530 T CB -0.100 68.763 68.868 -0.007 0.000 0.977 530 T HN -0.019 nan 8.240 nan 0.000 0.527 531 N N 2.089 120.796 118.700 0.012 0.000 2.356 531 N HA 0.465 5.203 4.740 -0.003 0.000 0.252 531 N C 0.534 176.059 175.510 0.026 0.000 1.241 531 N CA 0.760 53.823 53.050 0.022 0.000 0.861 531 N CB 0.846 39.354 38.487 0.034 0.000 1.075 531 N HN 0.636 nan 8.380 nan 0.000 0.461 532 G N -0.958 107.859 108.800 0.028 0.000 3.058 532 G HA2 0.829 4.787 3.960 -0.003 0.000 0.282 532 G HA3 0.829 4.787 3.960 -0.003 0.000 0.282 532 G C -1.756 173.186 174.900 0.069 0.000 1.248 532 G CA -0.210 44.919 45.100 0.049 0.000 0.822 532 G HN 0.690 nan 8.290 nan 0.000 0.579 533 A N -0.877 122.004 122.820 0.101 0.000 2.547 533 A HA 0.688 5.007 4.320 -0.003 0.000 0.297 533 A C -0.791 176.892 177.584 0.164 0.000 1.056 533 A CA -0.583 51.520 52.037 0.110 0.000 0.688 533 A CB 1.012 20.071 19.000 0.098 0.000 1.282 533 A HN 0.719 nan 8.150 nan 0.000 0.400 534 L N 1.256 122.564 121.223 0.141 0.000 2.456 534 L HA 0.314 4.652 4.340 -0.003 0.000 0.272 534 L C -0.289 176.687 176.870 0.177 0.000 1.189 534 L CA -0.425 54.528 54.840 0.187 0.000 0.846 534 L CB 0.932 43.075 42.059 0.141 0.000 1.111 534 L HN 0.414 nan 8.230 nan 0.000 0.475 535 V N 2.417 122.447 119.914 0.192 0.000 2.277 535 V HA 0.203 4.322 4.120 -0.003 0.000 0.269 535 V C 0.084 176.319 176.094 0.235 0.000 1.036 535 V CA -0.321 62.011 62.300 0.055 0.000 0.821 535 V CB 1.035 32.652 31.823 -0.343 0.000 1.052 535 V HN 0.781 nan 8.190 nan 0.000 0.462 536 T N 3.744 118.470 114.554 0.286 0.000 2.767 536 T HA 0.490 4.839 4.350 -0.003 0.000 0.284 536 T C 0.654 175.514 174.700 0.267 0.000 0.973 536 T CA -0.318 61.944 62.100 0.270 0.000 0.996 536 T CB 1.469 70.423 68.868 0.143 0.000 0.927 536 T HN 0.759 nan 8.240 nan 0.000 0.456 537 G N 1.699 110.568 108.800 0.115 0.000 2.378 537 G HA2 0.192 4.150 3.960 -0.003 0.000 0.255 537 G HA3 0.192 4.150 3.960 -0.003 0.000 0.255 537 G C 0.916 175.624 174.900 -0.319 0.000 1.270 537 G CA -0.452 44.358 45.100 -0.484 0.000 0.876 537 G HN 0.786 nan 8.290 nan 0.000 0.521 538 K N 1.270 121.430 120.400 -0.401 0.000 2.026 538 K HA -0.160 4.158 4.320 -0.003 0.000 0.208 538 K C 2.249 178.731 176.600 -0.197 0.000 1.048 538 K CA 1.564 57.713 56.287 -0.231 0.000 0.929 538 K CB -0.116 32.252 32.500 -0.220 0.000 0.713 538 K HN 0.673 nan 8.250 nan 0.000 0.439 539 Q N 0.266 119.917 119.800 -0.248 0.000 2.079 539 Q HA -0.134 4.204 4.340 -0.003 0.000 0.200 539 Q C 1.906 177.820 176.000 -0.144 0.000 0.974 539 Q CA 2.104 57.799 55.803 -0.181 0.000 0.840 539 Q CB 0.004 28.627 28.738 -0.191 0.000 0.898 539 Q HN 0.454 nan 8.270 nan 0.000 0.430 540 S N -1.828 113.777 115.700 -0.157 0.000 2.458 540 S HA 0.151 4.619 4.470 -0.003 0.000 0.223 540 S C 1.478 176.035 174.600 -0.070 0.000 1.019 540 S CA 0.656 58.794 58.200 -0.103 0.000 0.937 540 S CB 0.261 63.408 63.200 -0.088 0.000 0.788 540 S HN 0.641 nan 8.310 nan 0.000 0.511 541 G N 1.515 110.275 108.800 -0.067 0.000 2.166 541 G HA2 -0.284 3.674 3.960 -0.003 0.000 0.260 541 G HA3 -0.284 3.674 3.960 -0.003 0.000 0.260 541 G C 0.134 175.041 174.900 0.012 0.000 0.986 541 G CA 0.461 45.546 45.100 -0.026 0.000 0.683 541 G HN 0.610 nan 8.290 nan 0.000 0.527 542 R N -1.382 119.134 120.500 0.026 0.000 2.758 542 R HA 0.668 5.006 4.340 -0.003 0.000 0.265 542 R C -0.186 176.221 176.300 0.178 0.000 1.016 542 R CA -0.437 55.713 56.100 0.084 0.000 1.040 542 R CB 1.313 31.647 30.300 0.056 0.000 1.152 542 R HN 0.199 nan 8.270 nan 0.000 0.503 543 c N 1.282 120.020 118.600 0.230 0.000 2.391 543 c HA 0.523 5.091 4.570 -0.003 0.000 0.339 543 c C 0.520 174.801 174.090 0.320 0.000 1.205 543 c CA -0.681 55.814 56.329 0.277 0.000 1.937 543 c CB 1.152 43.811 42.510 0.249 0.000 2.341 543 c HN 0.839 nan 8.230 nan 0.000 0.516 544 A N 2.950 125.938 122.820 0.280 0.000 2.524 544 A HA 0.419 4.737 4.320 -0.003 0.000 0.250 544 A C -0.020 177.827 177.584 0.438 0.000 1.078 544 A CA 0.682 52.844 52.037 0.208 0.000 0.761 544 A CB 0.018 18.878 19.000 -0.234 0.000 1.012 544 A HN 0.912 nan 8.150 nan 0.000 0.500 545 D N 2.284 122.910 120.400 0.376 0.000 2.857 545 D HA 0.380 5.018 4.640 -0.003 0.000 0.227 545 D C -1.361 175.096 176.300 0.262 0.000 1.192 545 D CA -0.408 53.777 54.000 0.308 0.000 0.857 545 D CB 1.268 42.262 40.800 0.323 0.000 1.645 545 D HN 0.252 nan 8.370 nan 0.000 0.482 546 I N 3.848 124.515 120.570 0.161 0.000 2.330 546 I HA 0.124 4.292 4.170 -0.003 0.000 0.289 546 I C -0.099 176.090 176.117 0.120 0.000 1.001 546 I CA -0.670 60.733 61.300 0.172 0.000 1.193 546 I CB 0.542 38.642 38.000 0.166 0.000 1.345 546 I HN 0.454 nan 8.210 nan 0.000 0.461 547 Y N 7.835 128.128 120.300 -0.013 0.000 2.865 547 Y HA -0.162 4.386 4.550 -0.003 0.000 0.338 547 Y C 1.328 177.163 175.900 -0.107 0.000 1.269 547 Y CA 0.954 58.967 58.100 -0.145 0.000 1.585 547 Y CB -0.039 38.356 38.460 -0.110 0.000 1.224 547 Y HN 0.788 nan 8.280 nan 0.000 0.554 548 N N 3.837 122.080 118.700 -0.761 0.000 2.741 548 N HA -0.304 4.434 4.740 -0.003 0.000 0.250 548 N C -0.458 174.917 175.510 -0.224 0.000 1.115 548 N CA 1.268 53.917 53.050 -0.669 0.000 0.724 548 N CB -1.385 36.527 38.487 -0.959 0.000 1.090 548 N HN 0.841 nan 8.380 nan 0.000 0.558 549 N N -2.604 116.073 118.700 -0.038 0.000 2.741 549 N HA -0.175 4.564 4.740 -0.003 0.000 0.250 549 N C -0.874 174.802 175.510 0.276 0.000 1.115 549 N CA 1.527 54.693 53.050 0.193 0.000 0.724 549 N CB -1.944 36.678 38.487 0.225 0.000 1.090 549 N HN 0.492 nan 8.380 nan 0.000 0.558 550 T N 1.104 115.776 114.554 0.197 0.000 2.930 550 T HA 0.325 4.674 4.350 -0.003 0.000 0.306 550 T C 1.981 176.807 174.700 0.210 0.000 1.045 550 T CA -0.105 62.120 62.100 0.209 0.000 1.134 550 T CB 0.872 69.829 68.868 0.148 0.000 0.961 550 T HN 0.365 nan 8.240 nan 0.000 0.545 551 I N -0.921 119.747 120.570 0.162 0.000 4.139 551 I HA 0.258 4.426 4.170 -0.003 0.000 0.335 551 I C 0.453 176.615 176.117 0.075 0.000 1.327 551 I CA -0.497 60.836 61.300 0.055 0.000 1.112 551 I CB 0.083 37.975 38.000 -0.180 0.000 1.058 551 I HN 0.341 nan 8.210 nan 0.000 0.396 552 T N 3.483 118.087 114.554 0.083 0.000 2.871 552 T HA 0.053 4.402 4.350 -0.003 0.000 0.296 552 T C 0.271 174.944 174.700 -0.045 0.000 0.998 552 T CA 0.061 62.169 62.100 0.013 0.000 1.162 552 T CB -0.204 68.680 68.868 0.025 0.000 0.947 552 T HN 0.261 nan 8.240 nan 0.000 0.536 553 N N 2.215 120.777 118.700 -0.230 0.000 2.292 553 N HA 0.157 4.895 4.740 -0.003 0.000 0.258 553 N C 1.446 176.842 175.510 -0.190 0.000 1.261 553 N CA 1.509 54.250 53.050 -0.514 0.000 0.845 553 N CB 0.259 37.917 38.487 -1.382 0.000 1.064 553 N HN 1.008 nan 8.380 nan 0.000 0.471 554 G N 0.939 109.869 108.800 0.217 0.000 2.175 554 G HA2 -0.280 3.678 3.960 -0.003 0.000 0.244 554 G HA3 -0.280 3.678 3.960 -0.003 0.000 0.244 554 G C 0.100 175.095 174.900 0.159 0.000 0.982 554 G CA 0.286 45.598 45.100 0.353 0.000 0.641 554 G HN 0.626 nan 8.290 nan 0.000 0.527 555 T N 1.430 116.074 114.554 0.150 0.000 2.853 555 T HA 0.385 4.734 4.350 -0.003 0.000 0.298 555 T C 0.416 175.209 174.700 0.155 0.000 0.978 555 T CA 0.481 62.662 62.100 0.135 0.000 1.152 555 T CB 1.495 70.456 68.868 0.155 0.000 0.914 555 T HN 0.522 nan 8.240 nan 0.000 0.539 556 Q N 1.915 121.785 119.800 0.116 0.000 2.288 556 Q HA 0.507 4.845 4.340 -0.003 0.000 0.254 556 Q C -0.003 176.083 176.000 0.144 0.000 0.932 556 Q CA -0.767 55.104 55.803 0.115 0.000 0.902 556 Q CB 0.621 29.398 28.738 0.065 0.000 1.203 556 Q HN 0.836 nan 8.270 nan 0.000 0.415 557 A N 3.755 126.662 122.820 0.146 0.000 2.425 557 A HA 0.286 4.605 4.320 -0.003 0.000 0.242 557 A C -0.399 177.278 177.584 0.155 0.000 1.077 557 A CA 0.007 52.139 52.037 0.157 0.000 0.781 557 A CB 0.272 19.315 19.000 0.072 0.000 1.020 557 A HN 0.862 nan 8.150 nan 0.000 0.494 558 E N 0.995 121.318 120.200 0.205 0.000 2.446 558 E HA 0.624 4.972 4.350 -0.003 0.000 0.276 558 E C -1.442 175.332 176.600 0.291 0.000 0.969 558 E CA -0.966 55.578 56.400 0.241 0.000 0.800 558 E CB 0.936 30.807 29.700 0.286 0.000 1.341 558 E HN 0.478 nan 8.360 nan 0.000 0.460 559 L N 1.326 122.722 121.223 0.289 0.000 2.397 559 L HA 0.385 4.724 4.340 -0.003 0.000 0.271 559 L C -0.360 176.744 176.870 0.390 0.000 1.148 559 L CA -0.296 54.720 54.840 0.293 0.000 0.825 559 L CB 0.515 42.687 42.059 0.189 0.000 1.117 559 L HN 0.438 nan 8.230 nan 0.000 0.456 560 W N 2.466 123.851 121.300 0.142 0.000 3.213 560 W HA 0.182 4.840 4.660 -0.003 0.000 0.318 560 W C -1.038 175.544 176.519 0.106 0.000 1.248 560 W CA -0.764 56.657 57.345 0.126 0.000 1.187 560 W CB 2.060 31.610 29.460 0.151 0.000 1.403 560 W HN 0.444 nan 8.180 nan 0.000 0.556 561 D N 2.353 122.686 120.400 -0.112 0.000 2.658 561 D HA -0.037 4.602 4.640 -0.003 0.000 0.230 561 D C 0.398 176.838 176.300 0.234 0.000 1.118 561 D CA 1.016 55.036 54.000 0.034 0.000 0.848 561 D CB 0.503 41.283 40.800 -0.034 0.000 1.160 561 D HN 0.142 nan 8.370 nan 0.000 0.497 562 c N 3.497 122.193 118.600 0.159 0.000 2.648 562 c HA 0.065 4.633 4.570 -0.003 0.000 0.415 562 c C 1.657 175.833 174.090 0.142 0.000 1.366 562 c CA -0.429 55.996 56.329 0.161 0.000 1.756 562 c CB -0.993 41.589 42.510 0.119 0.000 2.549 562 c HN 0.692 nan 8.230 nan 0.000 0.597 563 N N 0.184 118.968 118.700 0.139 0.000 2.067 563 N HA 0.211 4.949 4.740 -0.003 0.000 0.227 563 N C 0.947 176.497 175.510 0.066 0.000 1.348 563 N CA 0.537 53.650 53.050 0.104 0.000 0.879 563 N CB -0.024 38.538 38.487 0.125 0.000 1.109 563 N HN 0.930 nan 8.380 nan 0.000 0.501 564 G N -0.534 108.303 108.800 0.063 0.000 2.155 564 G HA2 -0.180 3.779 3.960 -0.003 0.000 0.257 564 G HA3 -0.180 3.779 3.960 -0.003 0.000 0.257 564 G C 0.493 175.397 174.900 0.007 0.000 0.983 564 G CA 0.166 45.285 45.100 0.033 0.000 0.676 564 G HN 0.765 nan 8.290 nan 0.000 0.528 565 G N -0.170 108.634 108.800 0.008 0.000 2.667 565 G HA2 0.474 4.432 3.960 -0.003 0.000 0.250 565 G HA3 0.474 4.432 3.960 -0.003 0.000 0.250 565 G C -0.422 174.448 174.900 -0.051 0.000 1.212 565 G CA -0.136 44.958 45.100 -0.010 0.000 0.874 565 G HN 0.122 nan 8.290 nan 0.000 0.561 566 P HA -0.111 nan 4.420 nan 0.000 0.219 566 P C 1.402 178.564 177.300 -0.230 0.000 1.146 566 P CA 1.068 64.132 63.100 -0.060 0.000 0.808 566 P CB 0.104 31.857 31.700 0.088 0.000 0.779 567 N N -0.839 117.783 118.700 -0.130 0.000 2.449 567 N HA -0.075 4.663 4.740 -0.003 0.000 0.191 567 N C 0.921 176.216 175.510 -0.358 0.000 1.161 567 N CA 0.572 53.454 53.050 -0.279 0.000 0.863 567 N CB -0.486 38.004 38.487 0.005 0.000 0.980 567 N HN 0.286 nan 8.380 nan 0.000 0.458 568 Q N -0.998 118.603 119.800 -0.332 0.000 2.113 568 Q HA 0.173 4.511 4.340 -0.003 0.000 0.225 568 Q C -0.584 175.232 176.000 -0.308 0.000 0.786 568 Q CA -0.139 55.549 55.803 -0.191 0.000 0.989 568 Q CB 0.842 29.599 28.738 0.032 0.000 1.174 568 Q HN 0.163 nan 8.270 nan 0.000 0.470 569 S N 0.776 116.185 115.700 -0.486 0.000 2.434 569 S HA 0.307 4.775 4.470 -0.003 0.000 0.318 569 S C -1.316 173.014 174.600 -0.450 0.000 1.062 569 S CA -0.578 57.436 58.200 -0.310 0.000 1.116 569 S CB -0.014 63.076 63.200 -0.183 0.000 0.977 569 S HN 0.177 nan 8.310 nan 0.000 0.480 570 W N 3.197 124.445 121.300 -0.086 0.000 2.361 570 W HA 0.363 5.021 4.660 -0.003 0.000 0.309 570 W C 0.372 176.874 176.519 -0.028 0.000 1.122 570 W CA -0.730 56.563 57.345 -0.087 0.000 1.208 570 W CB 1.037 30.424 29.460 -0.122 0.000 1.246 570 W HN 0.300 nan 8.180 nan 0.000 0.490 571 T N 3.763 118.424 114.554 0.178 0.000 2.743 571 T HA 0.105 4.453 4.350 -0.003 0.000 0.292 571 T C -1.154 173.680 174.700 0.223 0.000 0.972 571 T CA -0.345 61.846 62.100 0.151 0.000 0.967 571 T CB 0.067 68.976 68.868 0.068 0.000 0.926 571 T HN 0.152 nan 8.240 nan 0.000 0.459 572 Y N 4.419 124.766 120.300 0.078 0.000 2.365 572 Y HA 0.410 4.959 4.550 -0.003 0.000 0.340 572 Y C 0.903 176.841 175.900 0.064 0.000 1.016 572 Y CA -0.988 57.155 58.100 0.072 0.000 1.196 572 Y CB 0.306 38.799 38.460 0.055 0.000 1.167 572 Y HN 0.710 nan 8.280 nan 0.000 0.509 573 T N 0.366 114.754 114.554 -0.277 0.000 2.912 573 T HA 0.256 4.604 4.350 -0.003 0.000 0.280 573 T C 1.167 175.634 174.700 -0.389 0.000 0.989 573 T CA -0.162 61.797 62.100 -0.235 0.000 0.995 573 T CB 1.144 69.947 68.868 -0.107 0.000 1.077 573 T HN 0.633 nan 8.240 nan 0.000 0.531 574 S N 0.057 115.633 115.700 -0.207 0.000 2.507 574 S HA -0.062 4.407 4.470 -0.003 0.000 0.235 574 S C 1.551 176.057 174.600 -0.158 0.000 0.988 574 S CA 0.137 58.236 58.200 -0.169 0.000 0.944 574 S CB -0.535 62.612 63.200 -0.089 0.000 0.762 574 S HN 0.757 nan 8.310 nan 0.000 0.526 575 R N 1.105 121.515 120.500 -0.150 0.000 2.334 575 R HA 0.287 4.625 4.340 -0.003 0.000 0.220 575 R C 0.089 176.330 176.300 -0.099 0.000 0.917 575 R CA 0.019 56.063 56.100 -0.094 0.000 1.073 575 R CB -0.149 30.122 30.300 -0.048 0.000 1.056 575 R HN 0.361 nan 8.270 nan 0.000 0.506 576 K N 0.343 120.599 120.400 -0.241 0.000 3.281 576 K HA -0.195 4.123 4.320 -0.003 0.000 0.295 576 K C -0.904 175.770 176.600 0.124 0.000 1.233 576 K CA 0.928 57.109 56.287 -0.176 0.000 0.866 576 K CB -1.306 31.237 32.500 0.072 0.000 1.265 576 K HN 0.389 nan 8.250 nan 0.000 0.482 577 E N 0.591 120.824 120.200 0.055 0.000 2.349 577 E HA 0.378 4.727 4.350 -0.003 0.000 0.265 577 E C -0.142 176.647 176.600 0.315 0.000 1.064 577 E CA -0.422 56.124 56.400 0.243 0.000 0.886 577 E CB 0.868 30.660 29.700 0.154 0.000 1.036 577 E HN 0.117 nan 8.360 nan 0.000 0.413 578 L N 2.740 124.165 121.223 0.337 0.000 2.295 578 L HA 0.323 4.661 4.340 -0.003 0.000 0.281 578 L C -1.074 176.017 176.870 0.369 0.000 1.018 578 L CA -0.770 54.227 54.840 0.262 0.000 0.841 578 L CB 1.145 43.130 42.059 -0.123 0.000 1.218 578 L HN 0.246 nan 8.230 nan 0.000 0.424 579 V N 4.485 124.585 119.914 0.311 0.000 2.435 579 V HA 0.428 4.546 4.120 -0.003 0.000 0.290 579 V C -0.200 175.905 176.094 0.019 0.000 1.030 579 V CA -0.570 61.843 62.300 0.188 0.000 0.881 579 V CB 2.180 34.065 31.823 0.104 0.000 0.983 579 V HN 0.409 nan 8.190 nan 0.000 0.445 580 L N 5.276 126.399 121.223 -0.167 0.000 2.334 580 L HA 0.615 4.953 4.340 -0.003 0.000 0.276 580 L C -0.272 176.347 176.870 -0.417 0.000 1.014 580 L CA 0.050 54.495 54.840 -0.659 0.000 0.815 580 L CB 1.026 42.362 42.059 -1.205 0.000 1.268 580 L HN 0.666 nan 8.230 nan 0.000 0.428 581 Y N 3.067 123.210 120.300 -0.263 0.000 4.604 581 Y HA -0.197 4.351 4.550 -0.003 0.000 0.230 581 Y C 1.545 177.335 175.900 -0.184 0.000 1.066 581 Y CA 1.199 59.156 58.100 -0.238 0.000 1.990 581 Y CB -2.197 36.102 38.460 -0.269 0.000 1.619 581 Y HN 0.922 nan 8.280 nan 0.000 0.649 582 G N 0.070 108.854 108.800 -0.027 0.000 2.212 582 G HA2 -0.411 3.548 3.960 -0.003 0.000 0.266 582 G HA3 -0.411 3.548 3.960 -0.003 0.000 0.266 582 G C 0.505 175.419 174.900 0.024 0.000 0.978 582 G CA 1.120 46.213 45.100 -0.012 0.000 0.632 582 G HN 1.206 nan 8.290 nan 0.000 0.537 583 N N -1.866 116.862 118.700 0.047 0.000 2.073 583 N HA 0.192 4.930 4.740 -0.003 0.000 0.227 583 N C -0.191 175.378 175.510 0.099 0.000 1.367 583 N CA -0.222 52.870 53.050 0.070 0.000 0.775 583 N CB 0.482 38.997 38.487 0.047 0.000 1.234 583 N HN 0.228 nan 8.380 nan 0.000 0.512 584 K N 0.453 120.924 120.400 0.118 0.000 2.316 584 K HA 0.521 4.839 4.320 -0.003 0.000 0.251 584 K C -1.096 175.623 176.600 0.199 0.000 0.934 584 K CA -0.386 55.999 56.287 0.163 0.000 0.802 584 K CB 2.339 34.957 32.500 0.196 0.000 1.171 584 K HN 0.078 nan 8.250 nan 0.000 0.426 585 c N 2.442 121.205 118.600 0.271 0.000 2.382 585 c HA 0.350 4.918 4.570 -0.003 0.000 0.327 585 c C 0.158 174.479 174.090 0.385 0.000 1.250 585 c CA -0.903 55.618 56.329 0.320 0.000 1.707 585 c CB 0.509 43.198 42.510 0.297 0.000 2.272 585 c HN 0.742 nan 8.230 nan 0.000 0.506 586 L N 4.424 125.872 121.223 0.376 0.000 2.540 586 L HA 0.233 4.572 4.340 -0.003 0.000 0.276 586 L C 0.059 177.249 176.870 0.533 0.000 1.212 586 L CA 1.476 56.466 54.840 0.250 0.000 0.893 586 L CB 0.018 41.866 42.059 -0.351 0.000 1.138 586 L HN 0.675 nan 8.230 nan 0.000 0.491 587 D N 4.346 125.039 120.400 0.487 0.000 2.936 587 D HA 0.371 5.009 4.640 -0.003 0.000 0.238 587 D C -1.214 175.298 176.300 0.354 0.000 1.248 587 D CA -0.464 53.780 54.000 0.407 0.000 0.903 587 D CB 1.976 42.992 40.800 0.360 0.000 1.544 587 D HN 0.696 nan 8.370 nan 0.000 0.543 588 A N 4.015 126.961 122.820 0.209 0.000 2.410 588 A HA 0.179 4.497 4.320 -0.003 0.000 0.292 588 A C -0.308 177.318 177.584 0.070 0.000 1.232 588 A CA -0.374 51.741 52.037 0.131 0.000 0.893 588 A CB -0.373 18.608 19.000 -0.032 0.000 1.131 588 A HN 0.542 nan 8.150 nan 0.000 0.530 589 Y N 3.720 124.030 120.300 0.016 0.000 2.805 589 Y HA -0.067 4.481 4.550 -0.003 0.000 0.331 589 Y C 0.833 176.670 175.900 -0.105 0.000 1.241 589 Y CA 1.167 59.238 58.100 -0.048 0.000 1.546 589 Y CB -0.017 38.450 38.460 0.012 0.000 1.248 589 Y HN 0.879 nan 8.280 nan 0.000 0.559 590 N N 3.898 122.051 118.700 -0.911 0.000 2.714 590 N HA -0.260 4.478 4.740 -0.003 0.000 0.250 590 N C -0.077 175.199 175.510 -0.390 0.000 1.117 590 N CA 1.436 54.022 53.050 -0.774 0.000 0.719 590 N CB -1.262 36.685 38.487 -0.899 0.000 1.081 590 N HN 0.830 nan 8.380 nan 0.000 0.557 591 L N -3.107 117.941 121.223 -0.291 0.000 3.843 591 L HA -0.204 4.134 4.340 -0.003 0.000 0.411 591 L C 1.212 177.990 176.870 -0.153 0.000 1.205 591 L CA 1.140 55.861 54.840 -0.198 0.000 0.945 591 L CB -2.050 39.898 42.059 -0.185 0.000 1.929 591 L HN 0.432 nan 8.230 nan 0.000 0.934 592 G N -0.255 108.467 108.800 -0.129 0.000 2.414 592 G HA2 0.356 4.314 3.960 -0.003 0.000 0.236 592 G HA3 0.356 4.314 3.960 -0.003 0.000 0.236 592 G C 0.985 175.839 174.900 -0.076 0.000 1.293 592 G CA 0.354 45.405 45.100 -0.081 0.000 0.869 592 G HN 0.511 nan 8.290 nan 0.000 0.556 593 T N -2.040 112.469 114.554 -0.076 0.000 3.091 593 T HA 0.325 4.673 4.350 -0.003 0.000 0.277 593 T C 0.830 175.477 174.700 -0.089 0.000 0.996 593 T CA 0.419 62.469 62.100 -0.082 0.000 0.897 593 T CB 0.052 68.871 68.868 -0.083 0.000 1.109 593 T HN 0.805 nan 8.240 nan 0.000 0.534 594 T N -0.162 114.337 114.554 -0.092 0.000 2.926 594 T HA 0.567 4.915 4.350 -0.003 0.000 0.289 594 T C -0.425 174.163 174.700 -0.187 0.000 1.054 594 T CA -0.967 61.048 62.100 -0.141 0.000 1.015 594 T CB 0.932 69.725 68.868 -0.125 0.000 1.167 594 T HN -0.029 nan 8.240 nan 0.000 0.526 595 N N 0.725 119.195 118.700 -0.383 0.000 2.294 595 N HA 0.318 5.056 4.740 -0.003 0.000 0.263 595 N C 1.500 176.850 175.510 -0.267 0.000 1.281 595 N CA 1.807 54.436 53.050 -0.702 0.000 0.846 595 N CB 0.240 37.765 38.487 -1.604 0.000 1.061 595 N HN 1.228 nan 8.380 nan 0.000 0.478 596 G N 1.051 109.929 108.800 0.131 0.000 2.194 596 G HA2 -0.287 3.672 3.960 -0.003 0.000 0.236 596 G HA3 -0.287 3.672 3.960 -0.003 0.000 0.236 596 G C 0.235 175.210 174.900 0.125 0.000 0.987 596 G CA 0.207 45.474 45.100 0.278 0.000 0.635 596 G HN 0.632 nan 8.290 nan 0.000 0.520 597 T N 2.554 117.165 114.554 0.095 0.000 2.866 597 T HA 0.283 4.631 4.350 -0.003 0.000 0.293 597 T C 0.799 175.579 174.700 0.132 0.000 1.005 597 T CA 0.662 62.821 62.100 0.098 0.000 1.162 597 T CB 0.505 69.414 68.868 0.068 0.000 0.968 597 T HN 0.415 nan 8.240 nan 0.000 0.530 598 K N 2.365 122.847 120.400 0.138 0.000 2.401 598 K HA 0.290 4.608 4.320 -0.003 0.000 0.278 598 K C -0.372 176.338 176.600 0.182 0.000 1.018 598 K CA -0.424 55.937 56.287 0.122 0.000 0.981 598 K CB 0.688 33.228 32.500 0.067 0.000 0.933 598 K HN 0.281 nan 8.250 nan 0.000 0.477 599 V N 4.560 124.572 119.914 0.163 0.000 2.370 599 V HA 0.259 4.377 4.120 -0.003 0.000 0.283 599 V C 0.100 176.296 176.094 0.170 0.000 1.023 599 V CA -0.596 61.822 62.300 0.196 0.000 0.857 599 V CB 1.066 32.974 31.823 0.141 0.000 0.985 599 V HN 0.628 nan 8.190 nan 0.000 0.443 600 V N 3.837 123.894 119.914 0.238 0.000 3.164 600 V HA 0.740 4.858 4.120 -0.003 0.000 0.313 600 V C -0.353 175.935 176.094 0.323 0.000 1.188 600 V CA -1.133 61.324 62.300 0.262 0.000 1.058 600 V CB 2.196 34.201 31.823 0.303 0.000 1.110 600 V HN 0.760 nan 8.190 nan 0.000 0.453 601 I N -1.369 119.407 120.570 0.343 0.000 2.498 601 I HA 0.690 4.859 4.170 -0.003 0.000 0.301 601 I C -0.743 175.643 176.117 0.448 0.000 0.984 601 I CA -0.390 61.133 61.300 0.372 0.000 1.204 601 I CB 1.822 40.005 38.000 0.306 0.000 1.362 601 I HN 0.873 nan 8.210 nan 0.000 0.471 602 W N 3.831 125.256 121.300 0.208 0.000 3.296 602 W HA 0.287 4.945 4.660 -0.003 0.000 0.314 602 W C -1.213 175.403 176.519 0.161 0.000 1.238 602 W CA -0.468 56.987 57.345 0.183 0.000 1.193 602 W CB 2.122 31.694 29.460 0.187 0.000 1.383 602 W HN 0.578 nan 8.180 nan 0.000 0.545 603 D N 2.217 122.653 120.400 0.059 0.000 2.571 603 D HA -0.026 4.612 4.640 -0.003 0.000 0.231 603 D C 0.398 176.889 176.300 0.319 0.000 1.133 603 D CA 0.935 55.031 54.000 0.160 0.000 0.862 603 D CB 0.619 41.466 40.800 0.078 0.000 1.179 603 D HN 0.141 nan 8.370 nan 0.000 0.474 604 c N 3.263 121.999 118.600 0.226 0.000 2.648 604 c HA 0.060 4.628 4.570 -0.003 0.000 0.419 604 c C 1.593 175.793 174.090 0.184 0.000 1.352 604 c CA -0.444 56.009 56.329 0.206 0.000 1.816 604 c CB -0.963 41.641 42.510 0.156 0.000 2.598 604 c HN 0.651 nan 8.230 nan 0.000 0.598 605 N N 0.325 119.125 118.700 0.166 0.000 2.116 605 N HA 0.208 4.947 4.740 -0.003 0.000 0.230 605 N C 0.882 176.437 175.510 0.075 0.000 1.326 605 N CA 0.470 53.597 53.050 0.129 0.000 0.867 605 N CB -0.049 38.528 38.487 0.150 0.000 1.174 605 N HN 0.961 nan 8.380 nan 0.000 0.506 606 G N 0.012 108.851 108.800 0.066 0.000 2.189 606 G HA2 -0.353 3.605 3.960 -0.003 0.000 0.267 606 G HA3 -0.353 3.605 3.960 -0.003 0.000 0.267 606 G C -0.240 174.665 174.900 0.007 0.000 0.975 606 G CA 0.561 45.681 45.100 0.034 0.000 0.644 606 G HN 0.523 nan 8.290 nan 0.000 0.537 607 Q N -0.585 119.215 119.800 0.001 0.000 2.368 607 Q HA 0.642 4.980 4.340 -0.003 0.000 0.237 607 Q C 1.730 177.690 176.000 -0.066 0.000 0.987 607 Q CA -0.006 55.774 55.803 -0.038 0.000 0.896 607 Q CB 0.968 29.672 28.738 -0.058 0.000 1.241 607 Q HN 0.514 nan 8.270 nan 0.000 0.485 608 A N 2.095 124.860 122.820 -0.092 0.000 2.070 608 A HA -0.193 4.125 4.320 -0.003 0.000 0.220 608 A C 1.476 178.934 177.584 -0.210 0.000 1.159 608 A CA 1.597 53.555 52.037 -0.131 0.000 0.656 608 A CB -0.536 18.393 19.000 -0.118 0.000 0.800 608 A HN 0.875 nan 8.150 nan 0.000 0.453 609 N N -0.206 118.377 118.700 -0.195 0.000 2.550 609 N HA -0.127 4.611 4.740 -0.003 0.000 0.186 609 N C 0.952 176.305 175.510 -0.260 0.000 1.110 609 N CA 0.886 53.784 53.050 -0.252 0.000 0.912 609 N CB -0.357 38.018 38.487 -0.187 0.000 0.968 609 N HN 0.674 nan 8.380 nan 0.000 0.448 610 Q N -0.227 119.482 119.800 -0.152 0.000 2.198 610 Q HA 0.229 4.567 4.340 -0.003 0.000 0.209 610 Q C -0.432 175.542 176.000 -0.042 0.000 0.848 610 Q CA 0.004 55.822 55.803 0.026 0.000 0.974 610 Q CB 0.669 29.492 28.738 0.142 0.000 1.115 610 Q HN 0.320 nan 8.270 nan 0.000 0.494 611 K N 0.304 120.499 120.400 -0.342 0.000 2.182 611 K HA 0.422 4.740 4.320 -0.003 0.000 0.262 611 K C -1.340 174.959 176.600 -0.500 0.000 0.957 611 K CA -0.352 55.802 56.287 -0.221 0.000 0.842 611 K CB 1.266 33.697 32.500 -0.115 0.000 1.099 611 K HN -0.073 nan 8.250 nan 0.000 0.438 612 W N 1.072 122.436 121.300 0.107 0.000 2.998 612 W HA 0.333 4.991 4.660 -0.003 0.000 0.335 612 W C -0.386 176.216 176.519 0.139 0.000 1.110 612 W CA -0.717 56.680 57.345 0.087 0.000 1.230 612 W CB 1.218 30.699 29.460 0.035 0.000 1.405 612 W HN 0.332 nan 8.180 nan 0.000 0.493 613 N N 2.861 121.717 118.700 0.260 0.000 2.426 613 N HA 0.452 5.190 4.740 -0.003 0.000 0.275 613 N C -0.880 174.686 175.510 0.092 0.000 1.019 613 N CA -0.459 52.696 53.050 0.175 0.000 0.941 613 N CB 1.481 40.035 38.487 0.112 0.000 1.123 613 N HN 0.363 nan 8.380 nan 0.000 0.486 614 I N 2.645 123.208 120.570 -0.011 0.000 2.307 614 I HA 0.169 4.337 4.170 -0.003 0.000 0.287 614 I C -0.000 176.109 176.117 -0.012 0.000 1.054 614 I CA -0.602 60.640 61.300 -0.096 0.000 1.218 614 I CB 0.255 38.064 38.000 -0.318 0.000 1.398 614 I HN 0.184 nan 8.210 nan 0.000 0.475 615 N N 3.395 122.112 118.700 0.028 0.000 2.495 615 N HA 0.136 4.874 4.740 -0.003 0.000 0.280 615 N C 1.136 176.669 175.510 0.038 0.000 1.168 615 N CA -0.256 52.819 53.050 0.043 0.000 0.978 615 N CB 1.608 40.130 38.487 0.059 0.000 1.191 615 N HN 0.540 nan 8.380 nan 0.000 0.497 616 S N -0.395 115.327 115.700 0.036 0.000 2.447 616 S HA -0.172 4.296 4.470 -0.003 0.000 0.233 616 S C 0.877 175.495 174.600 0.031 0.000 1.006 616 S CA 1.000 59.219 58.200 0.030 0.000 0.957 616 S CB -0.271 62.946 63.200 0.028 0.000 0.773 616 S HN 0.688 nan 8.310 nan 0.000 0.507 617 D N 0.563 120.985 120.400 0.036 0.000 2.349 617 D HA 0.231 4.869 4.640 -0.003 0.000 0.224 617 D C 1.426 177.749 176.300 0.039 0.000 1.029 617 D CA 0.643 54.664 54.000 0.034 0.000 0.879 617 D CB -0.699 40.122 40.800 0.036 0.000 0.906 617 D HN 0.592 nan 8.370 nan 0.000 0.528 618 G N -0.017 108.814 108.800 0.052 0.000 2.195 618 G HA2 -0.270 3.688 3.960 -0.003 0.000 0.246 618 G HA3 -0.270 3.688 3.960 -0.003 0.000 0.246 618 G C 0.528 175.511 174.900 0.139 0.000 0.984 618 G CA 0.436 45.577 45.100 0.070 0.000 0.633 618 G HN 0.791 nan 8.290 nan 0.000 0.525 619 T N -0.764 113.872 114.554 0.136 0.000 2.868 619 T HA 0.681 5.029 4.350 -0.003 0.000 0.292 619 T C 0.237 175.050 174.700 0.188 0.000 1.028 619 T CA -0.338 61.887 62.100 0.209 0.000 1.059 619 T CB 1.970 70.934 68.868 0.160 0.000 0.991 619 T HN 0.597 nan 8.240 nan 0.000 0.531 620 I N 2.453 123.147 120.570 0.206 0.000 2.439 620 I HA 0.298 4.466 4.170 -0.003 0.000 0.283 620 I C 0.258 176.510 176.117 0.225 0.000 1.023 620 I CA -0.818 60.542 61.300 0.100 0.000 1.100 620 I CB 1.870 39.770 38.000 -0.167 0.000 1.238 620 I HN 0.889 nan 8.210 nan 0.000 0.445 621 T N 1.681 116.375 114.554 0.232 0.000 2.867 621 T HA 0.294 4.643 4.350 -0.003 0.000 0.282 621 T C -0.110 174.681 174.700 0.153 0.000 1.000 621 T CA -0.856 61.366 62.100 0.203 0.000 1.042 621 T CB 1.838 70.769 68.868 0.106 0.000 0.973 621 T HN 0.478 nan 8.240 nan 0.000 0.465 622 N N 2.174 120.842 118.700 -0.053 0.000 2.475 622 N HA 0.048 4.786 4.740 -0.003 0.000 0.267 622 N C 1.149 176.461 175.510 -0.329 0.000 1.169 622 N CA -0.213 52.492 53.050 -0.574 0.000 0.947 622 N CB 1.244 39.339 38.487 -0.653 0.000 1.061 622 N HN 0.450 nan 8.380 nan 0.000 0.466 623 V N 4.282 123.981 119.914 -0.359 0.000 2.295 623 V HA -0.227 3.892 4.120 -0.003 0.000 0.246 623 V C 2.250 178.240 176.094 -0.173 0.000 1.049 623 V CA 1.719 63.904 62.300 -0.192 0.000 1.024 623 V CB -0.800 30.929 31.823 -0.158 0.000 0.648 623 V HN 0.739 nan 8.190 nan 0.000 0.447 624 N N 0.415 118.982 118.700 -0.222 0.000 2.104 624 N HA -0.156 4.582 4.740 -0.003 0.000 0.190 624 N C 1.490 176.918 175.510 -0.137 0.000 1.024 624 N CA 1.999 54.948 53.050 -0.169 0.000 0.853 624 N CB -0.215 38.158 38.487 -0.190 0.000 1.008 624 N HN 0.452 nan 8.380 nan 0.000 0.424 625 A N -1.727 121.002 122.820 -0.151 0.000 2.140 625 A HA 0.451 4.769 4.320 -0.003 0.000 0.209 625 A C 1.615 179.153 177.584 -0.078 0.000 1.181 625 A CA 0.739 52.710 52.037 -0.110 0.000 0.824 625 A CB -0.372 18.561 19.000 -0.111 0.000 0.879 625 A HN 0.467 nan 8.150 nan 0.000 0.480 626 G N -0.798 107.956 108.800 -0.076 0.000 2.168 626 G HA2 -0.234 3.724 3.960 -0.003 0.000 0.263 626 G HA3 -0.234 3.724 3.960 -0.003 0.000 0.263 626 G C 0.205 175.105 174.900 0.001 0.000 0.977 626 G CA 0.648 45.728 45.100 -0.033 0.000 0.659 626 G HN 0.455 nan 8.290 nan 0.000 0.533 627 L N -0.376 120.847 121.223 0.000 0.000 2.421 627 L HA 0.524 4.862 4.340 -0.003 0.000 0.263 627 L C 0.971 177.921 176.870 0.134 0.000 1.122 627 L CA -1.018 53.856 54.840 0.057 0.000 0.804 627 L CB 1.232 43.314 42.059 0.038 0.000 1.150 627 L HN 0.178 nan 8.230 nan 0.000 0.457 628 c N 1.964 120.683 118.600 0.200 0.000 2.401 628 c HA 0.328 4.896 4.570 -0.003 0.000 0.365 628 c C 0.413 174.695 174.090 0.321 0.000 1.250 628 c CA -0.720 55.765 56.329 0.260 0.000 2.131 628 c CB 0.915 43.581 42.510 0.261 0.000 2.445 628 c HN 0.484 nan 8.230 nan 0.000 0.550 629 L N 4.551 125.961 121.223 0.312 0.000 2.499 629 L HA 0.262 4.600 4.340 -0.003 0.000 0.273 629 L C 0.033 177.175 176.870 0.454 0.000 1.195 629 L CA 1.339 56.311 54.840 0.221 0.000 0.882 629 L CB 0.022 41.931 42.059 -0.251 0.000 1.133 629 L HN 0.675 nan 8.230 nan 0.000 0.483 630 D N 4.473 125.125 120.400 0.421 0.000 2.936 630 D HA 0.381 5.019 4.640 -0.003 0.000 0.238 630 D C -1.239 175.280 176.300 0.364 0.000 1.248 630 D CA -0.456 53.785 54.000 0.402 0.000 0.903 630 D CB 2.010 43.022 40.800 0.353 0.000 1.544 630 D HN 0.737 nan 8.370 nan 0.000 0.543 631 A N 3.862 126.859 122.820 0.296 0.000 2.395 631 A HA 0.189 4.507 4.320 -0.003 0.000 0.286 631 A C -0.385 177.275 177.584 0.126 0.000 1.193 631 A CA -0.348 51.816 52.037 0.211 0.000 0.852 631 A CB -0.209 18.843 19.000 0.087 0.000 1.118 631 A HN 0.542 nan 8.150 nan 0.000 0.524 632 Y N 3.748 124.061 120.300 0.022 0.000 2.721 632 Y HA -0.033 4.515 4.550 -0.003 0.000 0.329 632 Y C 0.852 176.684 175.900 -0.113 0.000 1.211 632 Y CA 0.883 58.951 58.100 -0.053 0.000 1.512 632 Y CB -0.012 38.452 38.460 0.008 0.000 1.249 632 Y HN 0.887 nan 8.280 nan 0.000 0.549 633 N N 3.117 121.416 118.700 -0.668 0.000 2.741 633 N HA -0.265 4.474 4.740 -0.003 0.000 0.251 633 N C 0.466 175.778 175.510 -0.330 0.000 1.112 633 N CA 1.212 53.898 53.050 -0.607 0.000 0.750 633 N CB -1.525 36.547 38.487 -0.691 0.000 1.119 633 N HN 1.191 nan 8.380 nan 0.000 0.561 634 A N -2.545 120.126 122.820 -0.247 0.000 2.826 634 A HA -0.109 4.209 4.320 -0.003 0.000 0.274 634 A C 0.924 178.426 177.584 -0.136 0.000 1.443 634 A CA 1.858 53.791 52.037 -0.173 0.000 0.833 634 A CB -1.893 17.003 19.000 -0.174 0.000 1.023 634 A HN 1.519 nan 8.150 nan 0.000 0.600 635 A N -0.588 122.162 122.820 -0.117 0.000 2.425 635 A HA 0.588 4.906 4.320 -0.003 0.000 0.242 635 A C 1.392 178.940 177.584 -0.060 0.000 1.077 635 A CA 1.003 52.993 52.037 -0.078 0.000 0.781 635 A CB 0.109 19.081 19.000 -0.047 0.000 1.020 635 A HN 1.793 nan 8.150 nan 0.000 0.494 636 T N -1.568 112.949 114.554 -0.062 0.000 3.043 636 T HA 0.534 4.882 4.350 -0.003 0.000 0.272 636 T C 0.642 175.304 174.700 -0.063 0.000 0.990 636 T CA 0.536 62.597 62.100 -0.065 0.000 0.897 636 T CB -0.246 68.575 68.868 -0.079 0.000 1.111 636 T HN 1.209 nan 8.240 nan 0.000 0.529 637 A N 2.092 124.873 122.820 -0.065 0.000 2.313 637 A HA 0.564 4.882 4.320 -0.003 0.000 0.261 637 A C 0.246 177.756 177.584 -0.123 0.000 1.090 637 A CA -0.693 51.283 52.037 -0.102 0.000 0.807 637 A CB -0.026 18.918 19.000 -0.093 0.000 1.055 637 A HN 0.359 nan 8.150 nan 0.000 0.492 638 N N 0.109 118.644 118.700 -0.275 0.000 2.292 638 N HA 0.224 4.962 4.740 -0.003 0.000 0.258 638 N C 1.190 176.621 175.510 -0.131 0.000 1.261 638 N CA 1.851 54.624 53.050 -0.462 0.000 0.845 638 N CB 0.465 38.245 38.487 -1.177 0.000 1.064 638 N HN 1.348 nan 8.380 nan 0.000 0.471 639 G N 0.919 109.833 108.800 0.190 0.000 2.176 639 G HA2 -0.291 3.667 3.960 -0.003 0.000 0.253 639 G HA3 -0.291 3.667 3.960 -0.003 0.000 0.253 639 G C 0.175 175.171 174.900 0.159 0.000 0.979 639 G CA 0.370 45.623 45.100 0.255 0.000 0.641 639 G HN 0.636 nan 8.290 nan 0.000 0.530 640 T N 2.395 117.029 114.554 0.134 0.000 2.867 640 T HA 0.427 4.776 4.350 -0.003 0.000 0.297 640 T C 0.884 175.688 174.700 0.173 0.000 0.989 640 T CA 0.828 63.009 62.100 0.135 0.000 1.159 640 T CB 0.979 69.911 68.868 0.107 0.000 0.928 640 T HN 0.370 nan 8.240 nan 0.000 0.538 641 S N 3.467 119.270 115.700 0.171 0.000 2.564 641 S HA 0.274 4.742 4.470 -0.003 0.000 0.278 641 S C 0.362 175.066 174.600 0.173 0.000 1.333 641 S CA -0.700 57.585 58.200 0.142 0.000 1.048 641 S CB 0.242 63.478 63.200 0.061 0.000 0.900 641 S HN 0.432 nan 8.310 nan 0.000 0.505 642 L N 3.696 125.006 121.223 0.145 0.000 2.289 642 L HA 0.649 4.987 4.340 -0.003 0.000 0.285 642 L C 0.115 177.066 176.870 0.134 0.000 1.049 642 L CA -0.684 54.247 54.840 0.152 0.000 0.804 642 L CB 0.822 42.920 42.059 0.066 0.000 1.195 642 L HN 0.470 nan 8.230 nan 0.000 0.428 643 V N 1.089 121.120 119.914 0.194 0.000 3.158 643 V HA 0.567 4.685 4.120 -0.003 0.000 0.311 643 V C -0.484 175.780 176.094 0.284 0.000 1.181 643 V CA -1.081 61.347 62.300 0.213 0.000 1.054 643 V CB 2.226 34.185 31.823 0.227 0.000 1.085 643 V HN 0.543 nan 8.190 nan 0.000 0.446 644 L N 1.742 123.133 121.223 0.281 0.000 2.334 644 L HA 0.555 4.893 4.340 -0.003 0.000 0.277 644 L C -0.652 176.444 176.870 0.378 0.000 1.075 644 L CA -0.148 54.864 54.840 0.287 0.000 0.804 644 L CB 1.513 43.677 42.059 0.175 0.000 1.174 644 L HN 0.760 nan 8.230 nan 0.000 0.438 645 W N 1.681 123.063 121.300 0.137 0.000 3.213 645 W HA 0.170 4.828 4.660 -0.003 0.000 0.318 645 W C -0.381 176.196 176.519 0.097 0.000 1.248 645 W CA -0.628 56.789 57.345 0.119 0.000 1.187 645 W CB 2.268 31.811 29.460 0.140 0.000 1.403 645 W HN 0.406 nan 8.180 nan 0.000 0.556 646 S N 2.357 118.034 115.700 -0.040 0.000 2.626 646 S HA 0.029 4.497 4.470 -0.003 0.000 0.303 646 S C 0.291 175.034 174.600 0.237 0.000 1.256 646 S CA 0.411 58.649 58.200 0.063 0.000 1.069 646 S CB -0.298 62.883 63.200 -0.031 0.000 0.807 646 S HN 0.378 nan 8.310 nan 0.000 0.500 647 c N 4.328 123.024 118.600 0.159 0.000 2.653 647 c HA 0.596 5.164 4.570 -0.003 0.000 0.421 647 c C 1.585 175.755 174.090 0.133 0.000 1.334 647 c CA 0.391 56.815 56.329 0.157 0.000 1.885 647 c CB -0.447 42.133 42.510 0.118 0.000 2.645 647 c HN 1.250 nan 8.230 nan 0.000 0.601 648 G N 2.351 111.225 108.800 0.122 0.000 2.157 648 G HA2 -0.165 3.794 3.960 -0.003 0.000 0.118 648 G HA3 -0.165 3.794 3.960 -0.003 0.000 0.118 648 G C 0.402 175.345 174.900 0.072 0.000 1.032 648 G CA 0.404 45.554 45.100 0.083 0.000 0.697 648 G HN 0.929 nan 8.290 nan 0.000 0.495 649 T N -2.467 112.131 114.554 0.074 0.000 3.014 649 T HA 0.596 4.944 4.350 -0.003 0.000 0.250 649 T C 1.353 176.042 174.700 -0.020 0.000 1.060 649 T CA 1.316 63.435 62.100 0.033 0.000 1.040 649 T CB 1.308 70.187 68.868 0.019 0.000 0.971 649 T HN 2.124 nan 8.240 nan 0.000 0.497 650 G N 0.395 109.180 108.800 -0.025 0.000 2.359 650 G HA2 0.205 4.163 3.960 -0.003 0.000 0.293 650 G HA3 0.205 4.163 3.960 -0.003 0.000 0.293 650 G C -1.033 173.813 174.900 -0.091 0.000 1.300 650 G CA -0.102 44.963 45.100 -0.059 0.000 0.888 650 G HN -0.068 nan 8.290 nan 0.000 0.541 651 D N 0.463 120.792 120.400 -0.119 0.000 2.351 651 D HA -0.080 4.558 4.640 -0.003 0.000 0.216 651 D C 2.205 178.341 176.300 -0.274 0.000 0.968 651 D CA 1.177 55.073 54.000 -0.173 0.000 0.899 651 D CB 0.042 40.751 40.800 -0.151 0.000 0.907 651 D HN 0.480 nan 8.370 nan 0.000 0.514 652 N N 0.317 118.877 118.700 -0.233 0.000 2.571 652 N HA -0.145 4.593 4.740 -0.003 0.000 0.189 652 N C 0.768 176.118 175.510 -0.267 0.000 1.154 652 N CA 0.412 53.295 53.050 -0.279 0.000 0.907 652 N CB -0.074 38.308 38.487 -0.175 0.000 0.977 652 N HN 0.284 nan 8.380 nan 0.000 0.449 653 Q N -0.586 119.092 119.800 -0.203 0.000 2.179 653 Q HA 0.216 4.554 4.340 -0.003 0.000 0.213 653 Q C -0.497 175.416 176.000 -0.145 0.000 0.833 653 Q CA -0.173 55.622 55.803 -0.014 0.000 0.990 653 Q CB 0.812 29.616 28.738 0.110 0.000 1.132 653 Q HN 0.140 nan 8.270 nan 0.000 0.493 654 K N 0.285 120.387 120.400 -0.497 0.000 2.207 654 K HA 0.432 4.750 4.320 -0.003 0.000 0.255 654 K C -1.106 175.077 176.600 -0.695 0.000 0.941 654 K CA -0.097 55.968 56.287 -0.369 0.000 0.825 654 K CB 1.462 33.844 32.500 -0.196 0.000 1.119 654 K HN -0.035 nan 8.250 nan 0.000 0.430 655 W N -0.153 121.126 121.300 -0.036 0.000 3.107 655 W HA 0.293 4.952 4.660 -0.003 0.000 0.331 655 W C -0.246 176.245 176.519 -0.047 0.000 1.204 655 W CA -0.733 56.581 57.345 -0.052 0.000 1.184 655 W CB 1.487 30.894 29.460 -0.088 0.000 1.421 655 W HN 0.476 nan 8.180 nan 0.000 0.544 656 T N -1.122 113.549 114.554 0.195 0.000 2.823 656 T HA 0.633 4.982 4.350 -0.003 0.000 0.279 656 T C -0.801 173.958 174.700 0.099 0.000 0.998 656 T CA -0.741 61.425 62.100 0.110 0.000 0.994 656 T CB 1.530 70.440 68.868 0.070 0.000 0.960 656 T HN 0.277 nan 8.240 nan 0.000 0.448 657 V N 2.495 122.436 119.914 0.044 0.000 2.647 657 V HA 0.330 4.448 4.120 -0.003 0.000 0.305 657 V C 0.541 176.645 176.094 0.017 0.000 1.162 657 V CA -0.569 61.734 62.300 0.005 0.000 1.248 657 V CB -0.581 31.187 31.823 -0.091 0.000 1.508 657 V HN 1.218 nan 8.190 nan 0.000 0.647 658 T N 0.000 114.579 114.554 0.041 0.000 3.816 658 T HA 0.000 4.348 4.350 -0.003 0.000 0.228 658 T CA 0.000 62.127 62.100 0.045 0.000 1.349 658 T CB 0.000 68.892 68.868 0.040 0.000 0.612 658 T HN 0.000 nan 8.240 nan 0.000 0.658