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 3a22_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 0.000 177.579 177.584 -0.008 0.000 1.274 45 A CA 0.000 52.032 52.037 -0.008 0.000 0.836 45 A CB 0.000 18.996 19.000 -0.007 0.000 0.831 46 V N 2.045 121.953 119.914 -0.010 0.000 2.421 46 V HA 0.336 4.454 4.120 -0.003 0.000 0.271 46 V C 1.380 177.469 176.094 -0.009 0.000 1.031 46 V CA 1.301 63.595 62.300 -0.009 0.000 1.032 46 V CB -0.250 31.567 31.823 -0.011 0.000 1.009 46 V HN 1.243 nan 8.190 nan 0.000 0.477 47 T N 0.033 114.583 114.554 -0.007 0.000 2.954 47 T HA 0.133 4.481 4.350 -0.003 0.000 0.252 47 T C 0.675 175.369 174.700 -0.009 0.000 0.983 47 T CA 0.023 62.119 62.100 -0.008 0.000 0.941 47 T CB 0.465 69.330 68.868 -0.006 0.000 1.141 47 T HN 0.519 nan 8.240 nan 0.000 0.500 48 T N 3.311 117.860 114.554 -0.008 0.000 2.812 48 T HA 0.536 4.884 4.350 -0.003 0.000 0.282 48 T C -0.309 174.382 174.700 -0.014 0.000 0.990 48 T CA -0.920 61.172 62.100 -0.013 0.000 0.960 48 T CB 1.938 70.802 68.868 -0.007 0.000 0.948 48 T HN 0.523 nan 8.240 nan 0.000 0.438 49 R N 2.851 123.337 120.500 -0.023 0.000 2.543 49 R HA 0.279 4.617 4.340 -0.003 0.000 0.277 49 R C -0.493 175.801 176.300 -0.010 0.000 1.074 49 R CA -0.487 55.602 56.100 -0.018 0.000 1.076 49 R CB 0.491 30.778 30.300 -0.022 0.000 0.993 49 R HN 0.539 nan 8.270 nan 0.000 0.459 50 Q N 2.749 122.550 119.800 0.001 0.000 2.296 50 Q HA 0.201 4.539 4.340 -0.003 0.000 0.262 50 Q C -0.285 175.728 176.000 0.022 0.000 0.981 50 Q CA -0.459 55.354 55.803 0.017 0.000 0.905 50 Q CB 1.136 29.881 28.738 0.013 0.000 1.186 50 Q HN 0.448 nan 8.270 nan 0.000 0.399 51 I N 2.704 123.303 120.570 0.048 0.000 2.371 51 I HA 0.083 4.251 4.170 -0.003 0.000 0.290 51 I C 0.598 176.747 176.117 0.053 0.000 1.028 51 I CA -0.086 61.251 61.300 0.062 0.000 1.345 51 I CB 0.931 39.010 38.000 0.131 0.000 1.407 51 I HN 0.539 nan 8.210 nan 0.000 0.501 52 T N 6.633 121.209 114.554 0.038 0.000 2.888 52 T HA 0.325 4.674 4.350 -0.003 0.000 0.301 52 T C 0.370 175.087 174.700 0.028 0.000 1.001 52 T CA -0.314 61.802 62.100 0.028 0.000 1.147 52 T CB 0.801 69.682 68.868 0.021 0.000 0.931 52 T HN 0.489 nan 8.240 nan 0.000 0.541 53 V N 2.221 122.146 119.914 0.017 0.000 2.850 53 V HA 0.696 4.814 4.120 -0.003 0.000 0.315 53 V C -2.660 173.449 176.094 0.025 0.000 1.064 53 V CA -2.968 59.330 62.300 -0.003 0.000 0.979 53 V CB 0.723 32.514 31.823 -0.053 0.000 1.039 53 V HN 0.530 nan 8.190 nan 0.000 0.452 54 P HA 0.254 nan 4.420 nan 0.000 0.268 54 P C -0.183 177.208 177.300 0.152 0.000 1.205 54 P CA 0.392 63.530 63.100 0.063 0.000 0.771 54 P CB 0.458 32.185 31.700 0.045 0.000 0.858 55 S N 0.988 116.739 115.700 0.085 0.000 2.645 55 S HA 0.526 4.995 4.470 -0.003 0.000 0.266 55 S C 0.244 174.713 174.600 -0.218 0.000 1.258 55 S CA -0.564 57.622 58.200 -0.022 0.000 0.990 55 S CB 0.653 63.813 63.200 -0.065 0.000 0.967 55 S HN 0.581 nan 8.310 nan 0.000 0.556 56 A N 2.084 124.455 122.820 -0.749 0.000 2.445 56 A HA 0.450 4.769 4.320 -0.003 0.000 0.242 56 A C -2.466 174.993 177.584 -0.208 0.000 1.075 56 A CA -1.169 50.456 52.037 -0.687 0.000 0.777 56 A CB -0.776 17.667 19.000 -0.927 0.000 1.013 56 A HN 0.474 nan 8.150 nan 0.000 0.493 57 P HA 0.147 nan 4.420 nan 0.000 0.266 57 P C -0.517 176.838 177.300 0.092 0.000 1.195 57 P CA 0.778 63.950 63.100 0.121 0.000 0.768 57 P CB 0.341 32.053 31.700 0.018 0.000 0.838 58 M N 1.962 121.674 119.600 0.187 0.000 2.465 58 M HA 0.703 5.181 4.480 -0.003 0.000 0.316 58 M C 0.498 177.020 176.300 0.370 0.000 1.121 58 M CA -0.045 55.320 55.300 0.109 0.000 0.934 58 M CB 2.660 35.121 32.600 -0.230 0.000 1.692 58 M HN 0.587 nan 8.290 nan 0.000 0.444 59 G N 1.179 110.311 108.800 0.554 0.000 2.452 59 G HA2 0.290 4.248 3.960 -0.003 0.000 0.224 59 G HA3 0.290 4.248 3.960 -0.003 0.000 0.224 59 G C -2.953 172.352 174.900 0.676 0.000 1.208 59 G CA -0.722 44.791 45.100 0.690 0.000 0.946 59 G HN 0.763 nan 8.290 nan 0.000 0.481 60 W N 0.661 122.155 121.300 0.323 0.000 3.127 60 W HA 0.800 5.458 4.660 -0.003 0.000 0.330 60 W C -0.595 175.976 176.519 0.087 0.000 1.187 60 W CA -0.083 57.390 57.345 0.214 0.000 1.198 60 W CB 1.923 31.562 29.460 0.299 0.000 1.408 60 W HN 1.239 nan 8.180 nan 0.000 0.529 61 A N 2.175 124.423 122.820 -0.953 0.000 2.498 61 A HA 0.511 4.830 4.320 -0.003 0.000 0.298 61 A C 0.338 177.057 177.584 -1.442 0.000 1.075 61 A CA -0.016 51.456 52.037 -0.941 0.000 0.714 61 A CB 1.539 20.307 19.000 -0.387 0.000 1.299 61 A HN 1.042 nan 8.150 nan 0.000 0.407 62 S N 0.381 115.553 115.700 -0.881 0.000 2.496 62 S HA -0.096 4.372 4.470 -0.003 0.000 0.224 62 S C 1.429 176.022 174.600 -0.012 0.000 0.996 62 S CA 0.761 58.711 58.200 -0.417 0.000 0.927 62 S CB -0.355 62.864 63.200 0.032 0.000 0.774 62 S HN 0.845 nan 8.310 nan 0.000 0.524 63 W N 2.957 124.122 121.300 -0.225 0.000 2.353 63 W HA -0.165 4.494 4.660 -0.003 0.000 0.319 63 W C 1.410 177.859 176.519 -0.117 0.000 1.207 63 W CA 1.524 58.778 57.345 -0.152 0.000 1.291 63 W CB -0.608 28.748 29.460 -0.174 0.000 1.159 63 W HN 0.319 nan 8.180 nan 0.000 0.478 64 N N 0.249 118.848 118.700 -0.169 0.000 2.149 64 N HA -0.151 4.587 4.740 -0.003 0.000 0.188 64 N C 1.769 177.112 175.510 -0.279 0.000 1.019 64 N CA 2.170 55.085 53.050 -0.225 0.000 0.857 64 N CB -0.802 37.617 38.487 -0.114 0.000 0.997 64 N HN -0.004 nan 8.380 nan 0.000 0.426 65 S N -1.245 114.282 115.700 -0.289 0.000 2.492 65 S HA 0.240 4.708 4.470 -0.003 0.000 0.218 65 S C 0.750 174.941 174.600 -0.682 0.000 1.016 65 S CA 0.032 57.947 58.200 -0.475 0.000 0.916 65 S CB 0.291 63.131 63.200 -0.600 0.000 0.791 65 S HN 0.238 nan 8.310 nan 0.000 0.513 66 F N 0.979 120.830 119.950 -0.165 0.000 2.784 66 F HA 0.566 5.091 4.527 -0.003 0.000 0.323 66 F C 1.285 176.743 175.800 -0.570 0.000 1.085 66 F CA 0.000 57.880 58.000 -0.200 0.000 1.196 66 F CB -0.304 38.667 39.000 -0.048 0.000 1.053 66 F HN 0.125 nan 8.300 nan 0.000 0.578 67 A N 1.478 123.773 122.820 -0.875 0.000 5.695 67 A HA -0.251 4.067 4.320 -0.003 0.000 0.297 67 A C 1.758 179.019 177.584 -0.538 0.000 1.947 67 A CA 1.324 52.452 52.037 -1.515 0.000 0.717 67 A CB -1.760 16.094 19.000 -1.910 0.000 1.252 67 A HN 0.774 nan 8.150 nan 0.000 0.378 68 A N -0.743 121.921 122.820 -0.261 0.000 2.235 68 A HA 0.267 4.585 4.320 -0.003 0.000 0.208 68 A C 1.024 178.645 177.584 0.061 0.000 1.172 68 A CA 1.315 53.403 52.037 0.086 0.000 0.786 68 A CB -0.463 18.633 19.000 0.160 0.000 0.804 68 A HN 0.529 nan 8.150 nan 0.000 0.479 69 K N 1.409 121.798 120.400 -0.019 0.000 2.449 69 K HA 0.291 4.609 4.320 -0.003 0.000 0.237 69 K C -0.493 176.138 176.600 0.052 0.000 1.265 69 K CA 0.114 56.423 56.287 0.036 0.000 1.193 69 K CB -0.775 31.752 32.500 0.044 0.000 1.515 69 K HN 0.730 nan 8.250 nan 0.000 0.259 70 I N -1.984 118.631 120.570 0.076 0.000 2.785 70 I HA 0.574 4.743 4.170 -0.003 0.000 0.302 70 I C -0.899 175.209 176.117 -0.014 0.000 1.069 70 I CA -1.023 60.303 61.300 0.044 0.000 1.045 70 I CB 2.176 40.303 38.000 0.211 0.000 1.236 70 I HN 0.076 nan 8.210 nan 0.000 0.429 71 D N 2.046 122.257 120.400 -0.315 0.000 2.713 71 D HA 0.116 4.754 4.640 -0.003 0.000 0.306 71 D C 0.220 175.874 176.300 -1.076 0.000 1.299 71 D CA -0.709 52.694 54.000 -0.995 0.000 0.823 71 D CB 0.396 40.811 40.800 -0.641 0.000 1.353 71 D HN 0.606 nan 8.370 nan 0.000 0.447 72 Y N 0.948 120.403 120.300 -1.408 0.000 2.102 72 Y HA -0.258 4.290 4.550 -0.003 0.000 0.280 72 Y C 2.420 178.104 175.900 -0.360 0.000 1.178 72 Y CA 3.604 61.350 58.100 -0.590 0.000 1.146 72 Y CB -0.395 37.870 38.460 -0.325 0.000 0.968 72 Y HN 0.475 nan 8.280 nan 0.000 0.504 73 S N -1.201 114.414 115.700 -0.142 0.000 2.383 73 S HA -0.160 4.308 4.470 -0.003 0.000 0.227 73 S C 2.002 176.448 174.600 -0.257 0.000 1.026 73 S CA 1.355 59.468 58.200 -0.144 0.000 0.981 73 S CB -1.174 61.967 63.200 -0.098 0.000 0.818 73 S HN 0.251 nan 8.310 nan 0.000 0.472 74 V N 2.492 122.226 119.914 -0.300 0.000 2.287 74 V HA -0.147 3.971 4.120 -0.003 0.000 0.248 74 V C 2.605 178.482 176.094 -0.362 0.000 1.053 74 V CA 1.693 63.767 62.300 -0.377 0.000 1.027 74 V CB -0.752 30.786 31.823 -0.474 0.000 0.646 74 V HN 0.470 nan 8.190 nan 0.000 0.447 75 I N 0.035 120.436 120.570 -0.281 0.000 2.202 75 I HA -0.210 3.958 4.170 -0.003 0.000 0.242 75 I C 2.432 178.356 176.117 -0.322 0.000 1.091 75 I CA 1.681 62.862 61.300 -0.199 0.000 1.368 75 I CB -1.278 36.714 38.000 -0.013 0.000 1.058 75 I HN 0.386 nan 8.210 nan 0.000 0.410 76 K N 1.528 121.647 120.400 -0.468 0.000 2.032 76 K HA -0.215 4.103 4.320 -0.003 0.000 0.209 76 K C 2.114 178.547 176.600 -0.279 0.000 1.048 76 K CA 1.629 57.615 56.287 -0.501 0.000 0.927 76 K CB 0.030 32.079 32.500 -0.752 0.000 0.712 76 K HN 0.220 nan 8.250 nan 0.000 0.441 77 K N -0.033 120.214 120.400 -0.254 0.000 2.097 77 K HA -0.133 4.185 4.320 -0.003 0.000 0.206 77 K C 2.319 178.799 176.600 -0.199 0.000 1.049 77 K CA 1.233 57.414 56.287 -0.177 0.000 0.933 77 K CB 0.050 32.463 32.500 -0.146 0.000 0.717 77 K HN 0.189 nan 8.250 nan 0.000 0.442 78 Q N 0.310 119.916 119.800 -0.322 0.000 2.123 78 Q HA -0.085 4.254 4.340 -0.003 0.000 0.199 78 Q C 2.292 178.042 176.000 -0.417 0.000 0.966 78 Q CA 0.998 56.495 55.803 -0.510 0.000 0.845 78 Q CB -0.290 27.819 28.738 -1.048 0.000 0.907 78 Q HN 0.136 nan 8.270 nan 0.000 0.439 79 V N 2.081 121.810 119.914 -0.309 0.000 2.332 79 V HA -0.248 3.871 4.120 -0.003 0.000 0.248 79 V C 1.725 177.803 176.094 -0.027 0.000 1.055 79 V CA 2.065 64.257 62.300 -0.179 0.000 1.038 79 V CB -0.531 31.262 31.823 -0.050 0.000 0.651 79 V HN 0.253 nan 8.190 nan 0.000 0.450 80 D N 0.358 120.757 120.400 -0.003 0.000 2.117 80 D HA -0.102 4.536 4.640 -0.003 0.000 0.198 80 D C 2.225 178.531 176.300 0.010 0.000 0.982 80 D CA 1.626 55.645 54.000 0.031 0.000 0.828 80 D CB -0.342 40.478 40.800 0.033 0.000 0.967 80 D HN 0.449 nan 8.370 nan 0.000 0.464 81 A N 0.453 123.254 122.820 -0.031 0.000 1.898 81 A HA -0.151 4.167 4.320 -0.003 0.000 0.216 81 A C 2.099 179.675 177.584 -0.014 0.000 1.181 81 A CA 0.861 52.874 52.037 -0.039 0.000 0.620 81 A CB -1.000 17.953 19.000 -0.078 0.000 0.819 81 A HN 0.208 nan 8.150 nan 0.000 0.442 82 F N 0.883 120.718 119.950 -0.191 0.000 2.043 82 F HA -0.235 4.290 4.527 -0.003 0.000 0.297 82 F C 2.315 178.058 175.800 -0.096 0.000 1.121 82 F CA 2.310 60.209 58.000 -0.168 0.000 1.199 82 F CB -0.456 38.428 39.000 -0.193 0.000 0.968 82 F HN 0.043 nan 8.300 nan 0.000 0.478 83 V N 0.439 120.509 119.914 0.259 0.000 2.287 83 V HA -0.331 3.788 4.120 -0.003 0.000 0.248 83 V C 2.712 178.824 176.094 0.030 0.000 1.053 83 V CA 1.956 64.338 62.300 0.136 0.000 1.027 83 V CB -1.630 30.250 31.823 0.095 0.000 0.646 83 V HN 0.509 nan 8.190 nan 0.000 0.447 84 A N -0.151 122.676 122.820 0.012 0.000 1.972 84 A HA -0.047 4.271 4.320 -0.003 0.000 0.219 84 A C 2.243 179.805 177.584 -0.036 0.000 1.169 84 A CA 1.824 53.854 52.037 -0.012 0.000 0.635 84 A CB -0.599 18.393 19.000 -0.013 0.000 0.810 84 A HN 0.610 nan 8.150 nan 0.000 0.446 85 A N -1.699 121.081 122.820 -0.067 0.000 2.235 85 A HA 0.396 4.714 4.320 -0.003 0.000 0.208 85 A C 1.799 179.317 177.584 -0.110 0.000 1.172 85 A CA 1.192 53.170 52.037 -0.099 0.000 0.786 85 A CB -0.990 17.922 19.000 -0.147 0.000 0.804 85 A HN 1.884 nan 8.150 nan 0.000 0.479 86 G N -0.818 107.925 108.800 -0.094 0.000 2.160 86 G HA2 -0.282 3.676 3.960 -0.003 0.000 0.251 86 G HA3 -0.282 3.676 3.960 -0.003 0.000 0.251 86 G C 0.779 175.611 174.900 -0.113 0.000 1.008 86 G CA 0.495 45.551 45.100 -0.073 0.000 0.724 86 G HN 0.420 nan 8.290 nan 0.000 0.514 87 L N -0.381 120.683 121.223 -0.266 0.000 2.083 87 L HA -0.068 4.270 4.340 -0.003 0.000 0.209 87 L C 0.490 177.285 176.870 -0.125 0.000 1.083 87 L CA 2.029 56.631 54.840 -0.398 0.000 0.752 87 L CB -1.239 40.114 42.059 -1.175 0.000 0.899 87 L HN 0.224 nan 8.230 nan 0.000 0.433 88 P HA -0.169 nan 4.420 nan 0.000 0.215 88 P C 1.481 178.826 177.300 0.075 0.000 1.153 88 P CA 1.746 64.928 63.100 0.136 0.000 0.853 88 P CB 0.003 31.808 31.700 0.175 0.000 0.788 89 A N -0.069 122.773 122.820 0.036 0.000 2.019 89 A HA -0.054 4.264 4.320 -0.003 0.000 0.219 89 A C 2.225 179.818 177.584 0.016 0.000 1.164 89 A CA 1.773 53.821 52.037 0.019 0.000 0.644 89 A CB -1.498 17.505 19.000 0.006 0.000 0.805 89 A HN 0.202 nan 8.150 nan 0.000 0.449 90 A N -2.072 120.773 122.820 0.041 0.000 2.168 90 A HA 0.374 4.692 4.320 -0.003 0.000 0.215 90 A C 1.842 179.404 177.584 -0.035 0.000 1.152 90 A CA 1.555 53.617 52.037 0.042 0.000 0.716 90 A CB -0.594 18.494 19.000 0.146 0.000 0.794 90 A HN 1.743 nan 8.150 nan 0.000 0.465 91 G N -3.018 105.767 108.800 -0.026 0.000 2.255 91 G HA2 -0.190 3.768 3.960 -0.003 0.000 0.196 91 G HA3 -0.190 3.768 3.960 -0.003 0.000 0.196 91 G C -0.015 174.818 174.900 -0.112 0.000 0.998 91 G CA -0.148 44.890 45.100 -0.103 0.000 0.656 91 G HN 0.323 nan 8.290 nan 0.000 0.490 92 Y N 2.234 122.557 120.300 0.038 0.000 2.544 92 Y HA 0.351 4.899 4.550 -0.003 0.000 0.330 92 Y C 1.988 178.091 175.900 0.338 0.000 1.136 92 Y CA 1.372 59.568 58.100 0.161 0.000 1.417 92 Y CB 1.100 39.539 38.460 -0.036 0.000 1.229 92 Y HN 0.264 nan 8.280 nan 0.000 0.532 93 T N -1.421 113.370 114.554 0.395 0.000 3.115 93 T HA 0.170 4.518 4.350 -0.003 0.000 0.256 93 T C -0.252 174.419 174.700 -0.049 0.000 0.970 93 T CA -0.153 62.008 62.100 0.101 0.000 1.010 93 T CB -0.224 68.543 68.868 -0.167 0.000 1.151 93 T HN 0.244 nan 8.240 nan 0.000 0.479 94 Y N 1.960 122.333 120.300 0.121 0.000 2.304 94 Y HA 0.583 5.131 4.550 -0.003 0.000 0.328 94 Y C 0.225 176.089 175.900 -0.060 0.000 1.123 94 Y CA -1.555 56.539 58.100 -0.011 0.000 1.218 94 Y CB 0.685 39.056 38.460 -0.148 0.000 1.207 94 Y HN 0.126 nan 8.280 nan 0.000 0.495 95 I N 4.519 125.122 120.570 0.054 0.000 2.359 95 I HA 0.209 4.378 4.170 -0.003 0.000 0.284 95 I C -0.862 175.326 176.117 0.119 0.000 1.018 95 I CA -0.934 60.410 61.300 0.073 0.000 1.173 95 I CB 0.730 38.690 38.000 -0.066 0.000 1.326 95 I HN 0.607 nan 8.210 nan 0.000 0.462 96 N N 7.324 126.069 118.700 0.075 0.000 2.424 96 N HA 0.469 5.207 4.740 -0.003 0.000 0.271 96 N C -0.279 175.219 175.510 -0.019 0.000 0.985 96 N CA -0.371 52.635 53.050 -0.074 0.000 0.921 96 N CB 2.227 40.522 38.487 -0.321 0.000 1.149 96 N HN 0.434 nan 8.380 nan 0.000 0.492 97 I N 1.289 121.854 120.570 -0.008 0.000 2.312 97 I HA 0.129 4.297 4.170 -0.003 0.000 0.291 97 I C 0.984 177.107 176.117 0.011 0.000 1.031 97 I CA -0.252 61.057 61.300 0.015 0.000 1.293 97 I CB 0.663 38.601 38.000 -0.102 0.000 1.403 97 I HN 0.369 nan 8.210 nan 0.000 0.484 98 D N 5.218 125.656 120.400 0.064 0.000 2.511 98 D HA 0.097 4.736 4.640 -0.003 0.000 0.283 98 D C 0.006 176.253 176.300 -0.088 0.000 1.198 98 D CA -0.463 53.495 54.000 -0.069 0.000 1.097 98 D CB 0.871 41.637 40.800 -0.057 0.000 1.160 98 D HN 0.528 nan 8.370 nan 0.000 0.589 99 E N -1.199 118.612 120.200 -0.648 0.000 2.502 99 E HA 0.179 4.527 4.350 -0.003 0.000 0.261 99 E C 0.208 176.925 176.600 0.195 0.000 0.974 99 E CA 0.872 57.080 56.400 -0.320 0.000 0.936 99 E CB 0.190 29.636 29.700 -0.423 0.000 0.926 99 E HN 0.638 nan 8.360 nan 0.000 0.459 100 G N 4.533 113.468 108.800 0.224 0.000 2.296 100 G HA2 -0.200 3.758 3.960 -0.003 0.000 0.188 100 G HA3 -0.200 3.758 3.960 -0.003 0.000 0.188 100 G C 0.554 175.672 174.900 0.364 0.000 1.000 100 G CA 0.181 45.435 45.100 0.256 0.000 0.672 100 G HN 0.721 nan 8.290 nan 0.000 0.483 101 W N -0.445 121.054 121.300 0.332 0.000 2.584 101 W HA 0.481 5.139 4.660 -0.003 0.000 0.264 101 W C 0.326 177.035 176.519 0.318 0.000 1.264 101 W CA 0.635 58.171 57.345 0.319 0.000 1.306 101 W CB -0.193 29.154 29.460 -0.188 0.000 1.110 101 W HN 0.295 nan 8.180 nan 0.000 0.606 102 W N 3.315 124.149 121.300 -0.777 0.000 2.781 102 W HA 0.344 5.002 4.660 -0.003 0.000 0.333 102 W C 0.424 176.726 176.519 -0.361 0.000 1.047 102 W CA -1.448 55.410 57.345 -0.812 0.000 1.236 102 W CB 1.206 29.628 29.460 -1.732 0.000 1.394 102 W HN -0.282 nan 8.180 nan 0.000 0.466 103 Q N 3.699 123.331 119.800 -0.281 0.000 2.280 103 Q HA 0.263 4.601 4.340 -0.003 0.000 0.202 103 Q C 1.387 177.019 176.000 -0.614 0.000 0.903 103 Q CA 0.673 56.270 55.803 -0.342 0.000 0.948 103 Q CB 0.503 29.182 28.738 -0.098 0.000 1.058 103 Q HN 1.037 nan 8.270 nan 0.000 0.493 104 G N 1.006 108.968 108.800 -1.398 0.000 2.176 104 G HA2 -0.266 3.693 3.960 -0.003 0.000 0.232 104 G HA3 -0.266 3.693 3.960 -0.003 0.000 0.232 104 G C 0.383 175.049 174.900 -0.389 0.000 0.986 104 G CA 0.334 44.663 45.100 -1.285 0.000 0.643 104 G HN 0.421 nan 8.290 nan 0.000 0.522 105 T N -0.966 113.583 114.554 -0.009 0.000 2.907 105 T HA 0.694 5.042 4.350 -0.003 0.000 0.298 105 T C 0.195 175.123 174.700 0.380 0.000 1.017 105 T CA -0.139 62.080 62.100 0.199 0.000 1.118 105 T CB 2.039 71.015 68.868 0.181 0.000 0.948 105 T HN 0.528 nan 8.240 nan 0.000 0.531 106 R N 1.425 122.042 120.500 0.195 0.000 2.725 106 R HA 0.430 4.768 4.340 -0.003 0.000 0.277 106 R C -0.658 175.693 176.300 0.085 0.000 0.987 106 R CA -0.988 55.192 56.100 0.134 0.000 0.901 106 R CB 1.571 31.903 30.300 0.053 0.000 1.207 106 R HN 0.900 nan 8.270 nan 0.000 0.463 107 D N 0.020 120.461 120.400 0.069 0.000 2.414 107 D HA -0.020 4.618 4.640 -0.003 0.000 0.259 107 D C 0.835 177.159 176.300 0.040 0.000 1.269 107 D CA -0.385 53.648 54.000 0.056 0.000 1.028 107 D CB 0.448 41.282 40.800 0.057 0.000 1.093 107 D HN 0.415 nan 8.370 nan 0.000 0.545 108 S N -1.395 114.327 115.700 0.036 0.000 2.447 108 S HA -0.051 4.417 4.470 -0.003 0.000 0.233 108 S C 1.680 176.298 174.600 0.030 0.000 1.006 108 S CA 0.492 58.710 58.200 0.031 0.000 0.957 108 S CB -0.600 62.615 63.200 0.025 0.000 0.773 108 S HN 0.672 nan 8.310 nan 0.000 0.507 109 A N 0.547 123.383 122.820 0.028 0.000 2.307 109 A HA 0.625 4.943 4.320 -0.003 0.000 0.218 109 A C 1.641 179.248 177.584 0.037 0.000 1.228 109 A CA 0.285 52.337 52.037 0.025 0.000 0.857 109 A CB -0.965 18.044 19.000 0.013 0.000 0.897 109 A HN 1.368 nan 8.150 nan 0.000 0.495 110 G N -0.159 108.663 108.800 0.037 0.000 2.159 110 G HA2 -0.247 3.711 3.960 -0.003 0.000 0.256 110 G HA3 -0.247 3.711 3.960 -0.003 0.000 0.256 110 G C -0.116 174.728 174.900 -0.093 0.000 0.977 110 G CA 0.060 45.171 45.100 0.018 0.000 0.652 110 G HN 0.516 nan 8.290 nan 0.000 0.531 111 N N 0.492 119.160 118.700 -0.053 0.000 2.513 111 N HA 0.283 5.021 4.740 -0.003 0.000 0.268 111 N C 0.943 176.416 175.510 -0.061 0.000 1.180 111 N CA -0.044 52.952 53.050 -0.089 0.000 0.948 111 N CB 0.817 39.276 38.487 -0.047 0.000 1.083 111 N HN 0.354 nan 8.380 nan 0.000 0.455 112 I N 1.590 122.074 120.570 -0.142 0.000 2.752 112 I HA -0.095 4.073 4.170 -0.003 0.000 0.289 112 I C 0.958 177.155 176.117 0.134 0.000 1.197 112 I CA 0.477 61.708 61.300 -0.114 0.000 1.432 112 I CB 0.028 37.779 38.000 -0.415 0.000 1.359 112 I HN 0.471 nan 8.210 nan 0.000 0.571 113 T N 4.217 118.899 114.554 0.213 0.000 2.856 113 T HA 0.706 5.054 4.350 -0.003 0.000 0.283 113 T C -0.298 174.587 174.700 0.308 0.000 1.008 113 T CA -0.832 61.424 62.100 0.260 0.000 0.997 113 T CB 1.854 70.847 68.868 0.208 0.000 0.992 113 T HN 0.407 nan 8.240 nan 0.000 0.454 114 V N -0.916 119.167 119.914 0.280 0.000 3.019 114 V HA 0.694 4.812 4.120 -0.003 0.000 0.317 114 V C -0.626 175.637 176.094 0.282 0.000 1.094 114 V CA -1.090 61.393 62.300 0.304 0.000 1.000 114 V CB 1.764 33.743 31.823 0.260 0.000 1.060 114 V HN 0.915 nan 8.190 nan 0.000 0.443 115 D N 1.946 122.545 120.400 0.332 0.000 2.352 115 D HA 0.205 4.843 4.640 -0.003 0.000 0.245 115 D C 1.441 177.905 176.300 0.274 0.000 1.224 115 D CA 0.580 54.735 54.000 0.259 0.000 0.879 115 D CB 1.409 42.344 40.800 0.224 0.000 1.057 115 D HN 0.962 nan 8.370 nan 0.000 0.491 116 T N 1.018 115.685 114.554 0.188 0.000 3.051 116 T HA -0.029 4.319 4.350 -0.003 0.000 0.269 116 T C 1.766 176.505 174.700 0.065 0.000 1.127 116 T CA 0.708 62.896 62.100 0.147 0.000 1.107 116 T CB -0.026 68.900 68.868 0.097 0.000 0.898 116 T HN 0.278 nan 8.240 nan 0.000 0.517 117 A N 1.863 124.713 122.820 0.050 0.000 1.972 117 A HA -0.060 4.258 4.320 -0.003 0.000 0.219 117 A C 2.328 179.874 177.584 -0.064 0.000 1.169 117 A CA 1.363 53.396 52.037 -0.006 0.000 0.635 117 A CB -0.365 18.638 19.000 0.005 0.000 0.810 117 A HN 0.680 nan 8.150 nan 0.000 0.446 118 E N -2.610 117.551 120.200 -0.065 0.000 2.307 118 E HA -0.027 4.322 4.350 -0.003 0.000 0.195 118 E C -0.435 175.800 176.600 -0.609 0.000 0.975 118 E CA 0.146 56.359 56.400 -0.312 0.000 0.878 118 E CB 0.129 29.666 29.700 -0.273 0.000 0.845 118 E HN 0.811 nan 8.360 nan 0.000 0.488 119 W N 3.125 124.467 121.300 0.070 0.000 2.148 119 W HA 0.280 4.938 4.660 -0.003 0.000 0.288 119 W C -2.428 174.070 176.519 -0.035 0.000 0.920 119 W CA -2.158 55.228 57.345 0.068 0.000 1.904 119 W CB 0.794 30.316 29.460 0.102 0.000 2.083 119 W HN -0.150 nan 8.180 nan 0.000 0.398 120 P HA 0.089 nan 4.420 nan 0.000 0.268 120 P C 1.061 178.299 177.300 -0.103 0.000 1.204 120 P CA 1.250 64.284 63.100 -0.109 0.000 0.768 120 P CB 1.251 32.803 31.700 -0.247 0.000 0.842 121 G N 1.786 110.560 108.800 -0.042 0.000 2.179 121 G HA2 -0.033 3.925 3.960 -0.003 0.000 0.260 121 G HA3 -0.033 3.925 3.960 -0.003 0.000 0.260 121 G C 0.567 175.469 174.900 0.003 0.000 0.977 121 G CA 0.373 45.460 45.100 -0.022 0.000 0.641 121 G HN 1.021 nan 8.290 nan 0.000 0.533 122 G N -1.340 107.478 108.800 0.030 0.000 2.796 122 G HA2 0.022 3.980 3.960 -0.003 0.000 0.226 122 G HA3 0.022 3.980 3.960 -0.003 0.000 0.226 122 G C 0.785 175.580 174.900 -0.176 0.000 1.381 122 G CA 0.459 45.534 45.100 -0.041 0.000 0.867 122 G HN 0.831 nan 8.290 nan 0.000 0.552 123 M N 1.036 120.276 119.600 -0.600 0.000 2.394 123 M HA -0.018 4.460 4.480 -0.003 0.000 0.264 123 M C 2.830 178.799 176.300 -0.552 0.000 1.073 123 M CA 2.167 57.029 55.300 -0.730 0.000 1.111 123 M CB -1.550 30.252 32.600 -1.329 0.000 1.401 123 M HN 1.126 nan 8.290 nan 0.000 0.448 124 S N 0.360 115.778 115.700 -0.470 0.000 2.474 124 S HA 0.037 4.506 4.470 -0.003 0.000 0.235 124 S C 2.020 176.560 174.600 -0.100 0.000 0.997 124 S CA 0.834 58.919 58.200 -0.192 0.000 0.949 124 S CB -0.469 62.747 63.200 0.026 0.000 0.766 124 S HN 0.412 nan 8.310 nan 0.000 0.517 125 A N 1.564 124.360 122.820 -0.040 0.000 1.897 125 A HA 0.151 4.469 4.320 -0.003 0.000 0.215 125 A C 2.107 179.812 177.584 0.202 0.000 1.181 125 A CA 1.243 53.330 52.037 0.084 0.000 0.620 125 A CB -0.675 18.369 19.000 0.073 0.000 0.821 125 A HN 0.534 nan 8.150 nan 0.000 0.443 126 I N 0.532 121.212 120.570 0.183 0.000 2.439 126 I HA -0.139 4.029 4.170 -0.003 0.000 0.251 126 I C 2.613 178.667 176.117 -0.106 0.000 1.139 126 I CA 2.213 63.584 61.300 0.119 0.000 1.438 126 I CB -0.453 37.655 38.000 0.181 0.000 1.085 126 I HN 0.488 nan 8.210 nan 0.000 0.427 127 T N -1.306 113.051 114.554 -0.329 0.000 2.821 127 T HA -0.079 4.269 4.350 -0.003 0.000 0.267 127 T C 2.026 176.408 174.700 -0.530 0.000 1.046 127 T CA 1.032 62.766 62.100 -0.609 0.000 1.139 127 T CB -0.927 67.452 68.868 -0.816 0.000 0.871 127 T HN 0.277 nan 8.240 nan 0.000 0.454 128 A N 0.330 123.033 122.820 -0.195 0.000 1.902 128 A HA 0.001 4.319 4.320 -0.003 0.000 0.217 128 A C 2.181 179.763 177.584 -0.002 0.000 1.181 128 A CA 1.542 53.559 52.037 -0.034 0.000 0.623 128 A CB -1.274 17.754 19.000 0.045 0.000 0.818 128 A HN 0.613 nan 8.150 nan 0.000 0.443 129 Y N 0.366 120.626 120.300 -0.068 0.000 2.145 129 Y HA -0.181 4.367 4.550 -0.003 0.000 0.286 129 Y C 2.071 177.912 175.900 -0.098 0.000 1.145 129 Y CA 1.827 59.897 58.100 -0.051 0.000 1.148 129 Y CB -0.269 38.166 38.460 -0.041 0.000 0.981 129 Y HN 0.270 nan 8.280 nan 0.000 0.507 130 I N -0.591 119.925 120.570 -0.089 0.000 2.163 130 I HA -0.417 3.751 4.170 -0.003 0.000 0.243 130 I C 2.207 178.250 176.117 -0.122 0.000 1.085 130 I CA 2.055 63.260 61.300 -0.159 0.000 1.347 130 I CB -0.631 37.261 38.000 -0.180 0.000 1.044 130 I HN 0.334 nan 8.210 nan 0.000 0.408 131 H N -0.260 118.742 119.070 -0.113 0.000 2.421 131 H HA -0.139 4.415 4.556 -0.003 0.000 0.298 131 H C 2.482 177.737 175.328 -0.121 0.000 1.087 131 H CA 1.187 57.175 56.048 -0.101 0.000 1.330 131 H CB -0.012 29.707 29.762 -0.072 0.000 1.388 131 H HN 0.395 nan 8.280 nan 0.000 0.526 132 S N 0.679 116.348 115.700 -0.052 0.000 2.469 132 S HA -0.086 4.382 4.470 -0.003 0.000 0.238 132 S C 1.533 176.037 174.600 -0.160 0.000 0.998 132 S CA 0.799 58.923 58.200 -0.126 0.000 0.957 132 S CB 0.073 63.147 63.200 -0.210 0.000 0.764 132 S HN 0.229 nan 8.310 nan 0.000 0.514 133 K N 0.732 121.025 120.400 -0.179 0.000 2.387 133 K HA 0.300 4.618 4.320 -0.003 0.000 0.198 133 K C 1.277 177.843 176.600 -0.057 0.000 1.022 133 K CA 0.502 56.707 56.287 -0.136 0.000 1.128 133 K CB -0.207 32.190 32.500 -0.172 0.000 0.853 133 K HN 0.554 nan 8.250 nan 0.000 0.523 134 G N 1.603 110.379 108.800 -0.040 0.000 2.143 134 G HA2 -0.267 3.691 3.960 -0.003 0.000 0.248 134 G HA3 -0.267 3.691 3.960 -0.003 0.000 0.248 134 G C 0.090 174.982 174.900 -0.014 0.000 0.991 134 G CA 0.302 45.389 45.100 -0.022 0.000 0.689 134 G HN 0.239 nan 8.290 nan 0.000 0.522 135 L N -1.168 120.048 121.223 -0.011 0.000 2.335 135 L HA 0.700 5.039 4.340 -0.003 0.000 0.268 135 L C 0.704 177.588 176.870 0.024 0.000 1.016 135 L CA -1.156 53.665 54.840 -0.032 0.000 0.805 135 L CB 1.177 43.169 42.059 -0.112 0.000 1.311 135 L HN -0.030 nan 8.230 nan 0.000 0.456 136 K N 0.295 120.659 120.400 -0.060 0.000 2.156 136 K HA 0.754 5.073 4.320 -0.003 0.000 0.250 136 K C -0.979 175.689 176.600 0.112 0.000 0.955 136 K CA -0.656 55.642 56.287 0.020 0.000 0.855 136 K CB 2.046 34.385 32.500 -0.268 0.000 1.101 136 K HN 0.633 nan 8.250 nan 0.000 0.434 137 A N 0.992 123.951 122.820 0.231 0.000 2.342 137 A HA 0.736 5.054 4.320 -0.003 0.000 0.323 137 A C -0.397 177.482 177.584 0.491 0.000 1.125 137 A CA -0.605 51.567 52.037 0.226 0.000 0.785 137 A CB 1.446 20.412 19.000 -0.057 0.000 1.221 137 A HN 0.740 nan 8.150 nan 0.000 0.463 138 G N 0.372 109.388 108.800 0.359 0.000 2.448 138 G HA2 0.609 4.567 3.960 -0.003 0.000 0.324 138 G HA3 0.609 4.567 3.960 -0.003 0.000 0.324 138 G C -1.118 173.684 174.900 -0.164 0.000 1.203 138 G CA -0.279 44.964 45.100 0.238 0.000 0.954 138 G HN 0.680 nan 8.290 nan 0.000 0.480 139 I N -0.346 119.927 120.570 -0.495 0.000 3.294 139 I HA 0.829 4.998 4.170 -0.003 0.000 0.311 139 I C -1.699 174.190 176.117 -0.380 0.000 1.111 139 I CA -1.900 58.796 61.300 -1.007 0.000 0.976 139 I CB 2.371 39.002 38.000 -2.283 0.000 1.260 139 I HN 0.507 nan 8.210 nan 0.000 0.474 140 Y N 1.405 121.465 120.300 -0.399 0.000 2.441 140 Y HA 0.621 5.169 4.550 -0.003 0.000 0.334 140 Y C -0.816 175.288 175.900 0.339 0.000 1.061 140 Y CA -0.119 58.023 58.100 0.070 0.000 1.032 140 Y CB 1.546 40.137 38.460 0.218 0.000 1.266 140 Y HN 0.719 nan 8.280 nan 0.000 0.441 141 T N 3.303 117.688 114.554 -0.282 0.000 2.645 141 T HA 0.370 4.718 4.350 -0.003 0.000 0.300 141 T C -2.100 172.480 174.700 -0.200 0.000 1.210 141 T CA -0.495 61.614 62.100 0.015 0.000 1.034 141 T CB 1.687 70.807 68.868 0.420 0.000 1.537 141 T HN 0.731 nan 8.240 nan 0.000 0.492 142 D N -0.723 119.727 120.400 0.083 0.000 2.433 142 D HA 0.720 5.358 4.640 -0.003 0.000 0.236 142 D C 0.780 177.175 176.300 0.160 0.000 1.026 142 D CA -0.111 53.945 54.000 0.094 0.000 0.884 142 D CB 1.773 42.659 40.800 0.143 0.000 1.384 142 D HN 0.579 nan 8.370 nan 0.000 0.477 143 A N 1.853 124.741 122.820 0.114 0.000 2.015 143 A HA 0.235 4.553 4.320 -0.003 0.000 0.219 143 A C 1.236 178.910 177.584 0.150 0.000 1.163 143 A CA 1.270 53.361 52.037 0.090 0.000 0.646 143 A CB -0.627 18.345 19.000 -0.046 0.000 0.806 143 A HN 0.481 nan 8.150 nan 0.000 0.448 144 G N -1.506 107.317 108.800 0.038 0.000 2.531 144 G HA2 0.401 4.360 3.960 -0.003 0.000 0.281 144 G HA3 0.401 4.360 3.960 -0.003 0.000 0.281 144 G C 0.535 175.473 174.900 0.064 0.000 1.382 144 G CA -0.268 44.833 45.100 0.001 0.000 1.045 144 G HN 0.224 nan 8.290 nan 0.000 0.533 145 K N -0.638 119.780 120.400 0.030 0.000 2.296 145 K HA 0.073 4.391 4.320 -0.003 0.000 0.200 145 K C -0.385 176.200 176.600 -0.025 0.000 1.048 145 K CA 0.879 57.173 56.287 0.012 0.000 0.966 145 K CB 0.070 32.553 32.500 -0.029 0.000 0.754 145 K HN 0.468 nan 8.250 nan 0.000 0.466 146 D N -1.281 119.127 120.400 0.013 0.000 2.645 146 D HA 0.339 4.977 4.640 -0.003 0.000 0.228 146 D C -0.471 175.918 176.300 0.148 0.000 1.148 146 D CA -0.645 53.307 54.000 -0.080 0.000 0.860 146 D CB 2.019 42.591 40.800 -0.381 0.000 1.548 146 D HN 0.055 nan 8.370 nan 0.000 0.460 147 G N -0.756 108.109 108.800 0.109 0.000 2.753 147 G HA2 0.318 4.276 3.960 -0.003 0.000 0.285 147 G HA3 0.318 4.276 3.960 -0.003 0.000 0.285 147 G C 0.757 175.882 174.900 0.375 0.000 1.344 147 G CA -0.556 44.690 45.100 0.243 0.000 1.050 147 G HN 0.718 nan 8.290 nan 0.000 0.532 148 c N -0.357 118.491 118.600 0.413 0.000 2.419 148 c HA 0.046 4.615 4.570 -0.003 0.000 0.281 148 c C 2.956 177.237 174.090 0.319 0.000 1.336 148 c CA 0.899 57.497 56.329 0.450 0.000 1.770 148 c CB -1.059 41.697 42.510 0.410 0.000 1.929 148 c HN 0.841 nan 8.230 nan 0.000 0.509 149 G N -1.459 107.484 108.800 0.238 0.000 2.509 149 G HA2 -0.207 3.752 3.960 -0.003 0.000 0.218 149 G HA3 -0.207 3.752 3.960 -0.003 0.000 0.218 149 G C 1.255 176.205 174.900 0.083 0.000 1.124 149 G CA 0.736 45.925 45.100 0.147 0.000 0.776 149 G HN 0.619 nan 8.290 nan 0.000 0.547 150 Y N -0.272 119.983 120.300 -0.074 0.000 2.239 150 Y HA 0.183 4.731 4.550 -0.003 0.000 0.293 150 Y C 2.388 178.131 175.900 -0.262 0.000 1.126 150 Y CA 0.596 58.554 58.100 -0.238 0.000 1.128 150 Y CB -0.071 38.128 38.460 -0.434 0.000 1.066 150 Y HN 0.145 nan 8.280 nan 0.000 0.516 151 Y N -1.153 119.018 120.300 -0.214 0.000 2.293 151 Y HA -0.104 4.445 4.550 -0.003 0.000 0.291 151 Y C 0.183 175.661 175.900 -0.703 0.000 1.137 151 Y CA 1.392 59.174 58.100 -0.531 0.000 1.202 151 Y CB -0.268 37.950 38.460 -0.402 0.000 0.990 151 Y HN 0.096 nan 8.280 nan 0.000 0.537 152 Y N -0.862 119.495 120.300 0.095 0.000 2.490 152 Y HA 0.382 4.930 4.550 -0.003 0.000 0.346 152 Y C -2.646 173.310 175.900 0.094 0.000 1.023 152 Y CA -3.527 54.625 58.100 0.087 0.000 1.142 152 Y CB 0.154 38.687 38.460 0.122 0.000 1.126 152 Y HN -0.143 nan 8.280 nan 0.000 0.647 153 P HA 0.119 nan 4.420 nan 0.000 0.264 153 P C -0.179 177.222 177.300 0.168 0.000 1.193 153 P CA 0.421 63.590 63.100 0.116 0.000 0.763 153 P CB 0.779 32.495 31.700 0.026 0.000 0.810 154 T N 2.297 116.963 114.554 0.186 0.000 3.135 154 T HA 0.506 4.854 4.350 -0.003 0.000 0.357 154 T C 0.729 175.441 174.700 0.020 0.000 1.112 154 T CA 0.078 62.276 62.100 0.164 0.000 1.290 154 T CB 0.603 69.639 68.868 0.280 0.000 1.018 154 T HN 0.639 nan 8.240 nan 0.000 0.527 155 G N 2.587 111.413 108.800 0.044 0.000 2.195 155 G HA2 -0.172 3.786 3.960 -0.003 0.000 0.224 155 G HA3 -0.172 3.786 3.960 -0.003 0.000 0.224 155 G C 0.055 174.975 174.900 0.034 0.000 0.990 155 G CA -0.499 44.607 45.100 0.009 0.000 0.639 155 G HN 0.650 nan 8.290 nan 0.000 0.514 156 R N 0.238 120.768 120.500 0.050 0.000 2.739 156 R HA 0.531 4.869 4.340 -0.003 0.000 0.271 156 R C -2.591 173.734 176.300 0.040 0.000 1.010 156 R CA -1.644 54.485 56.100 0.048 0.000 0.897 156 R CB 2.121 32.455 30.300 0.058 0.000 1.236 156 R HN 0.061 nan 8.270 nan 0.000 0.466 157 P HA 0.041 nan 4.420 nan 0.000 0.270 157 P C -0.699 176.605 177.300 0.007 0.000 1.223 157 P CA -0.220 62.888 63.100 0.014 0.000 0.785 157 P CB 0.369 32.075 31.700 0.011 0.000 0.923 158 A N 1.481 124.293 122.820 -0.013 0.000 2.555 158 A HA 0.349 4.667 4.320 -0.003 0.000 0.233 158 A C 0.615 178.219 177.584 0.033 0.000 1.060 158 A CA 0.509 52.536 52.037 -0.016 0.000 0.759 158 A CB -0.610 18.338 19.000 -0.085 0.000 0.995 158 A HN 0.590 nan 8.150 nan 0.000 0.506 159 A N 4.496 127.345 122.820 0.049 0.000 2.802 159 A HA 0.622 4.940 4.320 -0.003 0.000 0.344 159 A C -2.532 174.973 177.584 -0.132 0.000 1.215 159 A CA -1.594 50.401 52.037 -0.070 0.000 0.821 159 A CB 0.102 19.006 19.000 -0.159 0.000 1.099 159 A HN 0.633 nan 8.150 nan 0.000 0.479 160 P HA 0.235 nan 4.420 nan 0.000 0.266 160 P C 1.014 178.051 177.300 -0.437 0.000 1.195 160 P CA 1.744 64.550 63.100 -0.490 0.000 0.768 160 P CB 0.994 32.443 31.700 -0.419 0.000 0.838 161 G N 2.170 110.691 108.800 -0.464 0.000 2.175 161 G HA2 -0.262 3.696 3.960 -0.003 0.000 0.244 161 G HA3 -0.262 3.696 3.960 -0.003 0.000 0.244 161 G C 0.503 175.080 174.900 -0.538 0.000 0.982 161 G CA 0.280 45.156 45.100 -0.372 0.000 0.641 161 G HN 0.705 nan 8.290 nan 0.000 0.527 162 S N 0.202 115.501 115.700 -0.667 0.000 2.930 162 S HA 0.587 5.056 4.470 -0.003 0.000 0.257 162 S C 0.806 175.244 174.600 -0.270 0.000 1.208 162 S CA 0.636 58.243 58.200 -0.988 0.000 1.233 162 S CB 0.508 63.297 63.200 -0.685 0.000 0.900 162 S HN 1.699 nan 8.310 nan 0.000 0.472 163 G N -0.535 108.261 108.800 -0.006 0.000 2.642 163 G HA2 0.529 4.487 3.960 -0.003 0.000 0.293 163 G HA3 0.529 4.487 3.960 -0.003 0.000 0.293 163 G C -0.067 175.063 174.900 0.384 0.000 1.341 163 G CA -0.794 44.457 45.100 0.251 0.000 0.916 163 G HN 0.186 nan 8.290 nan 0.000 0.474 164 S N -0.803 115.120 115.700 0.373 0.000 2.556 164 S HA 0.115 4.583 4.470 -0.003 0.000 0.216 164 S C 0.765 175.471 174.600 0.177 0.000 0.970 164 S CA -0.239 58.174 58.200 0.356 0.000 0.912 164 S CB -0.002 63.457 63.200 0.432 0.000 0.790 164 S HN 0.666 nan 8.310 nan 0.000 0.504 165 E N 0.887 121.127 120.200 0.067 0.000 2.452 165 E HA 0.249 4.597 4.350 -0.003 0.000 0.261 165 E C 1.167 177.581 176.600 -0.309 0.000 0.987 165 E CA 0.803 57.011 56.400 -0.320 0.000 0.926 165 E CB 0.049 29.678 29.700 -0.120 0.000 0.934 165 E HN 0.325 nan 8.360 nan 0.000 0.452 166 G N 4.505 112.958 108.800 -0.578 0.000 2.205 166 G HA2 -0.275 3.683 3.960 -0.003 0.000 0.261 166 G HA3 -0.275 3.683 3.960 -0.003 0.000 0.261 166 G C 0.424 174.917 174.900 -0.679 0.000 0.980 166 G CA 0.434 45.222 45.100 -0.520 0.000 0.632 166 G HN 0.761 nan 8.290 nan 0.000 0.533 167 H N -1.396 117.496 119.070 -0.297 0.000 2.777 167 H HA 0.259 4.813 4.556 -0.003 0.000 0.244 167 H C 1.229 176.512 175.328 -0.075 0.000 1.185 167 H CA -0.308 55.647 56.048 -0.155 0.000 0.945 167 H CB 0.196 29.903 29.762 -0.093 0.000 1.994 167 H HN 0.326 nan 8.280 nan 0.000 0.638 168 Y N 1.490 121.794 120.300 0.008 0.000 2.128 168 Y HA -0.196 4.352 4.550 -0.003 0.000 0.284 168 Y C 2.184 178.055 175.900 -0.048 0.000 1.154 168 Y CA 0.795 58.888 58.100 -0.011 0.000 1.149 168 Y CB -0.215 38.236 38.460 -0.015 0.000 0.976 168 Y HN 0.242 nan 8.280 nan 0.000 0.505 169 D N -0.400 120.064 120.400 0.107 0.000 2.097 169 D HA -0.183 4.455 4.640 -0.003 0.000 0.197 169 D C 2.176 178.447 176.300 -0.049 0.000 0.984 169 D CA 1.230 55.242 54.000 0.021 0.000 0.826 169 D CB -0.297 40.507 40.800 0.006 0.000 0.973 169 D HN 0.449 nan 8.370 nan 0.000 0.460 170 Q N 0.686 120.454 119.800 -0.052 0.000 2.061 170 Q HA -0.188 4.150 4.340 -0.003 0.000 0.204 170 Q C 1.366 177.213 176.000 -0.255 0.000 0.984 170 Q CA 1.721 57.459 55.803 -0.107 0.000 0.846 170 Q CB 0.160 28.884 28.738 -0.022 0.000 0.902 170 Q HN 0.075 nan 8.270 nan 0.000 0.421 171 D N -0.372 119.857 120.400 -0.286 0.000 2.144 171 D HA -0.135 4.504 4.640 -0.003 0.000 0.200 171 D C 1.886 177.625 176.300 -0.936 0.000 0.978 171 D CA 0.996 54.590 54.000 -0.676 0.000 0.833 171 D CB -0.061 40.440 40.800 -0.500 0.000 0.961 171 D HN 0.300 nan 8.370 nan 0.000 0.470 172 M N 0.091 119.460 119.600 -0.385 0.000 2.132 172 M HA -0.056 4.422 4.480 -0.003 0.000 0.263 172 M C 2.169 178.384 176.300 -0.142 0.000 1.065 172 M CA 0.650 55.858 55.300 -0.154 0.000 1.122 172 M CB -0.967 31.642 32.600 0.014 0.000 1.365 172 M HN 0.078 nan 8.290 nan 0.000 0.411 173 L N 0.634 121.753 121.223 -0.173 0.000 2.042 173 L HA -0.217 4.121 4.340 -0.003 0.000 0.210 173 L C 2.493 179.221 176.870 -0.237 0.000 1.076 173 L CA 1.965 56.717 54.840 -0.147 0.000 0.749 173 L CB -0.928 41.053 42.059 -0.131 0.000 0.893 173 L HN 0.301 nan 8.230 nan 0.000 0.432 174 Q N -0.925 118.605 119.800 -0.450 0.000 2.050 174 Q HA -0.208 4.130 4.340 -0.003 0.000 0.202 174 Q C 2.002 177.663 176.000 -0.566 0.000 0.980 174 Q CA 2.129 57.508 55.803 -0.707 0.000 0.840 174 Q CB -0.449 27.694 28.738 -0.992 0.000 0.898 174 Q HN 0.498 nan 8.270 nan 0.000 0.424 175 F N -0.346 119.474 119.950 -0.216 0.000 2.134 175 F HA -0.097 4.429 4.527 -0.003 0.000 0.299 175 F C 2.730 178.687 175.800 0.262 0.000 1.097 175 F CA 1.274 59.371 58.000 0.162 0.000 1.264 175 F CB -1.399 37.668 39.000 0.111 0.000 1.001 175 F HN 0.110 nan 8.300 nan 0.000 0.479 176 S N -0.477 115.393 115.700 0.283 0.000 2.368 176 S HA -0.170 4.299 4.470 -0.003 0.000 0.225 176 S C 2.261 176.951 174.600 0.151 0.000 1.030 176 S CA 1.925 60.253 58.200 0.213 0.000 0.999 176 S CB -0.619 62.657 63.200 0.126 0.000 0.844 176 S HN 0.567 nan 8.310 nan 0.000 0.459 177 T N -1.694 112.891 114.554 0.051 0.000 2.821 177 T HA -0.092 4.257 4.350 -0.003 0.000 0.267 177 T C 1.583 176.366 174.700 0.138 0.000 1.046 177 T CA 0.937 63.053 62.100 0.026 0.000 1.139 177 T CB -0.613 68.205 68.868 -0.084 0.000 0.871 177 T HN 0.487 nan 8.240 nan 0.000 0.454 178 W N 2.298 123.643 121.300 0.075 0.000 2.421 178 W HA 0.302 4.960 4.660 -0.003 0.000 0.270 178 W C 2.075 178.505 176.519 -0.148 0.000 1.233 178 W CA 0.907 58.247 57.345 -0.009 0.000 1.226 178 W CB -1.123 28.369 29.460 0.052 0.000 1.121 178 W HN 0.652 nan 8.180 nan 0.000 0.579 179 G N -2.395 106.495 108.800 0.149 0.000 2.175 179 G HA2 -0.218 3.740 3.960 -0.003 0.000 0.182 179 G HA3 -0.218 3.740 3.960 -0.003 0.000 0.182 179 G C -0.123 174.814 174.900 0.062 0.000 1.003 179 G CA -0.756 44.408 45.100 0.106 0.000 0.666 179 G HN -0.015 nan 8.290 nan 0.000 0.506 180 F N 1.785 121.879 119.950 0.240 0.000 2.471 180 F HA 0.394 4.919 4.527 -0.003 0.000 0.353 180 F C 1.276 177.223 175.800 0.246 0.000 1.113 180 F CA 0.069 58.189 58.000 0.200 0.000 1.262 180 F CB 0.795 39.871 39.000 0.126 0.000 1.146 180 F HN -0.000 nan 8.300 nan 0.000 0.578 181 D N 1.748 122.449 120.400 0.502 0.000 2.398 181 D HA 0.045 4.683 4.640 -0.003 0.000 0.210 181 D C -0.535 176.083 176.300 0.530 0.000 1.094 181 D CA 0.630 54.899 54.000 0.447 0.000 0.839 181 D CB 0.618 41.676 40.800 0.429 0.000 0.963 181 D HN 0.267 nan 8.370 nan 0.000 0.506 182 F N 1.097 121.218 119.950 0.285 0.000 2.628 182 F HA 0.422 4.947 4.527 -0.003 0.000 0.309 182 F C -1.939 173.864 175.800 0.006 0.000 1.108 182 F CA -1.045 57.023 58.000 0.115 0.000 0.971 182 F CB 1.847 40.867 39.000 0.032 0.000 1.279 182 F HN -0.324 nan 8.300 nan 0.000 0.441 183 V N 6.355 126.118 119.914 -0.250 0.000 2.668 183 V HA 0.475 4.593 4.120 -0.003 0.000 0.304 183 V C -1.531 174.392 176.094 -0.286 0.000 1.071 183 V CA -0.630 61.566 62.300 -0.175 0.000 0.894 183 V CB 1.837 33.593 31.823 -0.113 0.000 1.008 183 V HN 0.863 nan 8.190 nan 0.000 0.425 184 K N 5.405 125.795 120.400 -0.016 0.000 2.234 184 K HA 0.699 5.017 4.320 -0.003 0.000 0.277 184 K C -1.477 175.110 176.600 -0.021 0.000 1.038 184 K CA -0.502 55.821 56.287 0.060 0.000 0.888 184 K CB 1.637 34.351 32.500 0.357 0.000 1.091 184 K HN 0.566 nan 8.250 nan 0.000 0.467 185 V N 4.826 124.743 119.914 0.006 0.000 2.326 185 V HA 0.120 4.238 4.120 -0.003 0.000 0.281 185 V C 0.044 176.227 176.094 0.150 0.000 1.015 185 V CA -0.881 61.451 62.300 0.053 0.000 0.823 185 V CB 1.022 32.942 31.823 0.163 0.000 1.009 185 V HN 0.861 nan 8.190 nan 0.000 0.436 186 D N 2.375 122.792 120.400 0.030 0.000 2.447 186 D HA 0.176 4.814 4.640 -0.003 0.000 0.265 186 D C 0.037 176.517 176.300 0.300 0.000 1.250 186 D CA -0.403 53.708 54.000 0.185 0.000 1.046 186 D CB 1.586 42.507 40.800 0.201 0.000 1.095 186 D HN 0.646 nan 8.370 nan 0.000 0.555 187 W N 0.884 122.166 121.300 -0.029 0.000 2.518 187 W HA 0.073 4.731 4.660 -0.003 0.000 0.352 187 W C 1.038 177.538 176.519 -0.031 0.000 0.952 187 W CA -0.361 56.828 57.345 -0.260 0.000 1.624 187 W CB 0.097 29.008 29.460 -0.915 0.000 1.135 187 W HN 0.321 nan 8.180 nan 0.000 0.540 188 c N 0.435 119.229 118.600 0.323 0.000 2.413 188 c HA -0.156 4.413 4.570 -0.003 0.000 0.276 188 c C 2.950 176.934 174.090 -0.176 0.000 1.248 188 c CA 2.209 58.729 56.329 0.317 0.000 1.742 188 c CB -1.607 41.233 42.510 0.550 0.000 2.017 188 c HN 0.567 nan 8.230 nan 0.000 0.481 189 G N -0.048 108.713 108.800 -0.065 0.000 2.421 189 G HA2 0.095 4.054 3.960 -0.003 0.000 0.217 189 G HA3 0.095 4.054 3.960 -0.003 0.000 0.217 189 G C 1.757 176.380 174.900 -0.462 0.000 1.143 189 G CA 1.058 46.085 45.100 -0.122 0.000 0.784 189 G HN 0.577 nan 8.290 nan 0.000 0.541 190 G N 0.719 108.983 108.800 -0.893 0.000 2.421 190 G HA2 -0.208 3.751 3.960 -0.003 0.000 0.216 190 G HA3 -0.208 3.751 3.960 -0.003 0.000 0.216 190 G C 1.451 175.533 174.900 -1.364 0.000 1.171 190 G CA 1.337 45.403 45.100 -1.724 0.000 0.775 190 G HN 0.445 nan 8.290 nan 0.000 0.543 191 D N 0.559 120.226 120.400 -1.223 0.000 2.117 191 D HA 0.044 4.683 4.640 -0.003 0.000 0.198 191 D C 2.711 178.866 176.300 -0.242 0.000 0.982 191 D CA 1.438 55.202 54.000 -0.394 0.000 0.828 191 D CB -0.304 40.541 40.800 0.075 0.000 0.967 191 D HN 0.228 nan 8.370 nan 0.000 0.464 192 A N 0.244 122.833 122.820 -0.385 0.000 1.902 192 A HA -0.164 4.155 4.320 -0.003 0.000 0.217 192 A C 2.066 179.539 177.584 -0.185 0.000 1.181 192 A CA 1.624 53.451 52.037 -0.350 0.000 0.623 192 A CB -0.573 17.970 19.000 -0.762 0.000 0.818 192 A HN 0.332 nan 8.150 nan 0.000 0.443 193 E N -2.000 118.073 120.200 -0.211 0.000 2.299 193 E HA 0.250 4.599 4.350 -0.003 0.000 0.193 193 E C 1.076 177.615 176.600 -0.103 0.000 0.998 193 E CA 0.360 56.683 56.400 -0.128 0.000 0.851 193 E CB -0.013 29.606 29.700 -0.134 0.000 0.795 193 E HN 0.764 nan 8.360 nan 0.000 0.492 194 G N 1.215 109.943 108.800 -0.120 0.000 2.131 194 G HA2 -0.236 3.723 3.960 -0.003 0.000 0.201 194 G HA3 -0.236 3.723 3.960 -0.003 0.000 0.201 194 G C 0.102 174.989 174.900 -0.021 0.000 1.000 194 G CA -0.313 44.762 45.100 -0.042 0.000 0.680 194 G HN 0.081 nan 8.290 nan 0.000 0.514 195 L N 0.394 121.567 121.223 -0.082 0.000 2.467 195 L HA 0.348 4.686 4.340 -0.003 0.000 0.270 195 L C 0.775 177.765 176.870 0.199 0.000 1.205 195 L CA -0.225 54.618 54.840 0.005 0.000 0.828 195 L CB 0.424 42.423 42.059 -0.099 0.000 1.101 195 L HN 0.270 nan 8.230 nan 0.000 0.479 196 D N 0.813 121.284 120.400 0.118 0.000 2.317 196 D HA 0.295 4.933 4.640 -0.003 0.000 0.252 196 D C 0.650 176.945 176.300 -0.008 0.000 1.174 196 D CA 0.126 54.151 54.000 0.042 0.000 0.866 196 D CB 1.758 42.514 40.800 -0.072 0.000 1.127 196 D HN 0.556 nan 8.370 nan 0.000 0.467 197 A N 4.134 126.846 122.820 -0.180 0.000 1.873 197 A HA 0.021 4.340 4.320 -0.003 0.000 0.215 197 A C 2.144 179.167 177.584 -0.936 0.000 1.186 197 A CA 1.615 53.286 52.037 -0.610 0.000 0.616 197 A CB -0.965 17.596 19.000 -0.732 0.000 0.823 197 A HN 0.686 nan 8.150 nan 0.000 0.442 198 A N -0.075 121.917 122.820 -1.380 0.000 1.865 198 A HA -0.166 4.152 4.320 -0.003 0.000 0.217 198 A C 2.475 179.627 177.584 -0.721 0.000 1.191 198 A CA 2.910 53.961 52.037 -1.643 0.000 0.623 198 A CB -1.533 16.608 19.000 -1.432 0.000 0.826 198 A HN 0.766 nan 8.150 nan 0.000 0.444 199 T N -3.535 110.746 114.554 -0.455 0.000 2.904 199 T HA -0.092 4.256 4.350 -0.003 0.000 0.267 199 T C 1.802 176.387 174.700 -0.192 0.000 1.059 199 T CA 1.893 63.842 62.100 -0.252 0.000 1.137 199 T CB -0.890 67.876 68.868 -0.170 0.000 0.879 199 T HN 0.332 nan 8.240 nan 0.000 0.467 200 T N 0.974 115.406 114.554 -0.202 0.000 2.737 200 T HA -0.022 4.326 4.350 -0.003 0.000 0.265 200 T C 1.493 176.024 174.700 -0.282 0.000 1.038 200 T CA 1.293 63.292 62.100 -0.168 0.000 1.144 200 T CB -0.576 68.248 68.868 -0.073 0.000 0.866 200 T HN 0.453 nan 8.240 nan 0.000 0.434 201 Y N 1.308 121.463 120.300 -0.242 0.000 2.439 201 Y HA 0.036 4.584 4.550 -0.003 0.000 0.292 201 Y C 2.357 178.155 175.900 -0.169 0.000 1.130 201 Y CA 0.632 58.612 58.100 -0.200 0.000 1.254 201 Y CB -0.185 38.197 38.460 -0.129 0.000 1.000 201 Y HN 0.039 nan 8.280 nan 0.000 0.554 202 K N 0.146 120.511 120.400 -0.057 0.000 2.025 202 K HA -0.149 4.169 4.320 -0.003 0.000 0.207 202 K C 2.475 179.039 176.600 -0.059 0.000 1.049 202 K CA 1.719 57.970 56.287 -0.059 0.000 0.933 202 K CB -0.768 31.675 32.500 -0.094 0.000 0.714 202 K HN 0.079 nan 8.250 nan 0.000 0.438 203 S N -0.125 115.529 115.700 -0.076 0.000 2.370 203 S HA -0.130 4.338 4.470 -0.003 0.000 0.226 203 S C 1.975 176.506 174.600 -0.114 0.000 1.033 203 S CA 1.604 59.777 58.200 -0.044 0.000 1.011 203 S CB -0.408 62.812 63.200 0.034 0.000 0.852 203 S HN 0.388 nan 8.310 nan 0.000 0.457 204 I N 0.902 121.297 120.570 -0.292 0.000 2.179 204 I HA -0.132 4.037 4.170 -0.003 0.000 0.242 204 I C 2.812 178.859 176.117 -0.118 0.000 1.088 204 I CA 1.363 62.440 61.300 -0.371 0.000 1.357 204 I CB -0.584 37.136 38.000 -0.466 0.000 1.051 204 I HN 0.373 nan 8.210 nan 0.000 0.409 205 S N 0.624 116.296 115.700 -0.046 0.000 2.370 205 S HA -0.244 4.224 4.470 -0.003 0.000 0.226 205 S C 1.733 176.332 174.600 -0.002 0.000 1.033 205 S CA 1.993 60.190 58.200 -0.004 0.000 1.011 205 S CB -0.341 62.864 63.200 0.009 0.000 0.852 205 S HN 0.374 nan 8.310 nan 0.000 0.457 206 D N 1.282 121.676 120.400 -0.010 0.000 2.117 206 D HA -0.015 4.623 4.640 -0.003 0.000 0.197 206 D C 2.235 178.543 176.300 0.012 0.000 0.987 206 D CA 1.374 55.376 54.000 0.004 0.000 0.829 206 D CB -0.700 40.101 40.800 0.003 0.000 0.961 206 D HN 0.510 nan 8.370 nan 0.000 0.460 207 A N 0.566 123.393 122.820 0.011 0.000 1.930 207 A HA -0.110 4.208 4.320 -0.003 0.000 0.217 207 A C 2.534 180.134 177.584 0.027 0.000 1.175 207 A CA 0.994 53.047 52.037 0.028 0.000 0.627 207 A CB -0.693 18.343 19.000 0.060 0.000 0.815 207 A HN 0.133 nan 8.150 nan 0.000 0.443 208 V N -0.027 119.901 119.914 0.023 0.000 2.287 208 V HA -0.221 3.897 4.120 -0.003 0.000 0.248 208 V C 2.834 178.954 176.094 0.044 0.000 1.053 208 V CA 2.125 64.450 62.300 0.041 0.000 1.027 208 V CB -1.410 30.432 31.823 0.032 0.000 0.646 208 V HN 0.610 nan 8.190 nan 0.000 0.447 209 G N -0.586 108.235 108.800 0.037 0.000 2.422 209 G HA2 -0.240 3.718 3.960 -0.003 0.000 0.218 209 G HA3 -0.240 3.718 3.960 -0.003 0.000 0.218 209 G C 1.753 176.673 174.900 0.035 0.000 1.146 209 G CA 0.710 45.834 45.100 0.039 0.000 0.769 209 G HN 0.440 nan 8.290 nan 0.000 0.547 210 R N 0.388 120.905 120.500 0.027 0.000 2.075 210 R HA 0.089 4.427 4.340 -0.003 0.000 0.232 210 R C 3.069 179.381 176.300 0.020 0.000 1.126 210 R CA 1.010 57.122 56.100 0.020 0.000 0.963 210 R CB -0.379 29.930 30.300 0.014 0.000 0.858 210 R HN 0.341 nan 8.270 nan 0.000 0.435 211 A N 1.488 124.321 122.820 0.023 0.000 1.865 211 A HA -0.170 4.148 4.320 -0.003 0.000 0.217 211 A C 2.397 180.004 177.584 0.039 0.000 1.191 211 A CA 1.900 53.950 52.037 0.023 0.000 0.623 211 A CB -0.777 18.241 19.000 0.030 0.000 0.826 211 A HN 0.404 nan 8.150 nan 0.000 0.444 212 A N -0.387 122.465 122.820 0.054 0.000 1.933 212 A HA 0.173 4.492 4.320 -0.003 0.000 0.218 212 A C 2.476 180.088 177.584 0.047 0.000 1.175 212 A CA 2.073 54.147 52.037 0.062 0.000 0.628 212 A CB -0.942 18.101 19.000 0.071 0.000 0.814 212 A HN 1.094 nan 8.150 nan 0.000 0.444 213 A N -1.019 121.824 122.820 0.038 0.000 1.930 213 A HA -0.053 4.265 4.320 -0.003 0.000 0.217 213 A C 2.287 179.885 177.584 0.024 0.000 1.175 213 A CA 2.201 54.256 52.037 0.030 0.000 0.627 213 A CB -1.102 17.914 19.000 0.026 0.000 0.815 213 A HN 0.428 nan 8.150 nan 0.000 0.443 214 T N 0.032 114.597 114.554 0.020 0.000 2.737 214 T HA -0.119 4.229 4.350 -0.003 0.000 0.265 214 T C 2.156 176.865 174.700 0.015 0.000 1.038 214 T CA 2.118 64.225 62.100 0.012 0.000 1.144 214 T CB -0.566 68.304 68.868 0.003 0.000 0.866 214 T HN 0.796 nan 8.240 nan 0.000 0.434 215 T N -1.184 113.383 114.554 0.023 0.000 3.043 215 T HA 0.325 4.673 4.350 -0.003 0.000 0.263 215 T C 1.961 176.679 174.700 0.029 0.000 1.094 215 T CA 1.032 63.149 62.100 0.028 0.000 1.127 215 T CB -0.328 68.565 68.868 0.042 0.000 0.905 215 T HN 0.549 nan 8.240 nan 0.000 0.490 216 G N 1.649 110.468 108.800 0.032 0.000 2.179 216 G HA2 -0.298 3.660 3.960 -0.003 0.000 0.260 216 G HA3 -0.298 3.660 3.960 -0.003 0.000 0.260 216 G C 0.168 175.089 174.900 0.036 0.000 0.977 216 G CA 0.184 45.302 45.100 0.030 0.000 0.641 216 G HN 0.853 nan 8.290 nan 0.000 0.533 217 R N 1.097 121.627 120.500 0.050 0.000 2.215 217 R HA 0.514 4.852 4.340 -0.003 0.000 0.336 217 R C -2.477 173.876 176.300 0.088 0.000 0.996 217 R CA -1.948 54.190 56.100 0.063 0.000 0.847 217 R CB 0.970 31.317 30.300 0.078 0.000 1.127 217 R HN 0.042 nan 8.270 nan 0.000 0.465 218 P HA -0.085 nan 4.420 nan 0.000 0.265 218 P C -1.297 176.090 177.300 0.146 0.000 1.187 218 P CA -0.085 63.078 63.100 0.106 0.000 0.766 218 P CB 0.514 32.276 31.700 0.103 0.000 0.820 219 L N 3.761 125.064 121.223 0.133 0.000 2.342 219 L HA 0.365 4.704 4.340 -0.003 0.000 0.276 219 L C -0.521 176.400 176.870 0.085 0.000 0.997 219 L CA 0.020 54.946 54.840 0.142 0.000 0.838 219 L CB 1.111 43.249 42.059 0.132 0.000 1.224 219 L HN 0.197 nan 8.230 nan 0.000 0.416 220 T N 5.960 120.559 114.554 0.076 0.000 2.729 220 T HA 0.362 4.710 4.350 -0.003 0.000 0.296 220 T C -0.360 174.122 174.700 -0.362 0.000 0.928 220 T CA -0.034 62.025 62.100 -0.069 0.000 1.045 220 T CB 0.355 69.233 68.868 0.016 0.000 0.902 220 T HN 0.445 nan 8.240 nan 0.000 0.500 221 L N 4.314 125.387 121.223 -0.251 0.000 2.265 221 L HA 0.543 4.881 4.340 -0.003 0.000 0.288 221 L C 0.236 176.892 176.870 -0.357 0.000 1.058 221 L CA 0.021 54.688 54.840 -0.289 0.000 0.809 221 L CB 1.289 43.287 42.059 -0.102 0.000 1.179 221 L HN 0.522 nan 8.230 nan 0.000 0.429 222 S N 6.377 121.780 115.700 -0.494 0.000 2.420 222 S HA 0.534 5.002 4.470 -0.003 0.000 0.313 222 S C -0.149 174.359 174.600 -0.153 0.000 1.079 222 S CA -0.702 57.324 58.200 -0.290 0.000 1.104 222 S CB -0.078 62.976 63.200 -0.244 0.000 0.969 222 S HN 0.574 nan 8.310 nan 0.000 0.471 223 I N 4.369 124.844 120.570 -0.158 0.000 2.416 223 I HA 0.227 4.396 4.170 -0.003 0.000 0.288 223 I C 0.157 176.137 176.117 -0.229 0.000 1.051 223 I CA -0.316 60.792 61.300 -0.319 0.000 1.375 223 I CB 0.876 38.546 38.000 -0.551 0.000 1.407 223 I HN 0.634 nan 8.210 nan 0.000 0.516 224 C N 8.139 127.338 119.300 -0.168 0.000 2.816 224 C HA 0.346 4.804 4.460 -0.003 0.000 0.255 224 C C 0.751 175.589 174.990 -0.254 0.000 1.141 224 C CA -0.518 58.467 59.018 -0.055 0.000 1.554 224 C CB -1.071 26.748 27.740 0.133 0.000 1.778 224 C HN 0.894 nan 8.230 nan 0.000 0.429 225 N N 2.039 120.436 118.700 -0.505 0.000 2.241 225 N HA 0.063 4.801 4.740 -0.003 0.000 0.238 225 N C 0.359 175.398 175.510 -0.785 0.000 1.244 225 N CA -0.131 52.306 53.050 -1.021 0.000 0.880 225 N CB 0.103 37.961 38.487 -1.048 0.000 1.179 225 N HN 0.814 nan 8.380 nan 0.000 0.513 226 W N 0.102 121.340 121.300 -0.103 0.000 3.456 226 W HA -0.179 4.479 4.660 -0.003 0.000 0.314 226 W C 1.031 177.600 176.519 0.083 0.000 1.192 226 W CA 0.385 57.691 57.345 -0.065 0.000 0.654 226 W CB -2.457 26.857 29.460 -0.244 0.000 2.251 226 W HN 0.503 nan 8.180 nan 0.000 1.360 227 G N -1.706 107.205 108.800 0.184 0.000 2.162 227 G HA2 -0.337 3.621 3.960 -0.003 0.000 0.260 227 G HA3 -0.337 3.621 3.960 -0.003 0.000 0.260 227 G C 0.021 175.022 174.900 0.168 0.000 0.976 227 G CA 0.352 45.565 45.100 0.188 0.000 0.655 227 G HN 0.271 nan 8.290 nan 0.000 0.533 228 Y N 0.434 120.701 120.300 -0.055 0.000 2.411 228 Y HA 0.403 4.951 4.550 -0.003 0.000 0.333 228 Y C 1.746 177.552 175.900 -0.156 0.000 1.186 228 Y CA 0.168 58.253 58.100 -0.026 0.000 1.381 228 Y CB 0.467 38.987 38.460 0.100 0.000 1.273 228 Y HN 0.512 nan 8.280 nan 0.000 0.546 229 Q N 1.071 120.872 119.800 0.001 0.000 2.461 229 Q HA -0.348 3.990 4.340 -0.003 0.000 0.273 229 Q C -0.624 175.266 176.000 -0.183 0.000 1.163 229 Q CA 0.699 56.475 55.803 -0.044 0.000 0.929 229 Q CB -1.444 27.305 28.738 0.018 0.000 1.334 229 Q HN 0.803 nan 8.270 nan 0.000 0.499 230 N N -1.806 116.531 118.700 -0.605 0.000 2.671 230 N HA -0.161 4.577 4.740 -0.003 0.000 0.261 230 N C -1.885 172.584 175.510 -1.734 0.000 1.053 230 N CA 1.132 53.271 53.050 -1.518 0.000 0.732 230 N CB -0.611 37.283 38.487 -0.989 0.000 0.887 230 N HN 0.353 nan 8.380 nan 0.000 0.546 231 P HA -0.163 nan 4.420 nan 0.000 0.221 231 P C 1.444 177.504 177.300 -2.067 0.000 1.145 231 P CA 1.347 63.133 63.100 -2.191 0.000 0.795 231 P CB -0.229 30.634 31.700 -1.394 0.000 0.775 232 W N 0.773 121.383 121.300 -1.151 0.000 2.364 232 W HA -0.079 4.579 4.660 -0.003 0.000 0.281 232 W C 1.443 177.454 176.519 -0.846 0.000 1.219 232 W CA 0.655 57.427 57.345 -0.955 0.000 1.220 232 W CB -2.344 26.695 29.460 -0.701 0.000 1.127 232 W HN -0.129 nan 8.180 nan 0.000 0.556 233 N N 0.092 118.269 118.700 -0.872 0.000 2.396 233 N HA -0.102 4.636 4.740 -0.003 0.000 0.180 233 N C 1.337 176.610 175.510 -0.395 0.000 1.028 233 N CA 1.797 54.565 53.050 -0.470 0.000 0.893 233 N CB -0.686 37.611 38.487 -0.317 0.000 0.967 233 N HN 0.733 nan 8.380 nan 0.000 0.440 234 W N -2.337 118.625 121.300 -0.563 0.000 2.121 234 W HA 0.539 5.197 4.660 -0.003 0.000 0.275 234 W C 0.897 177.063 176.519 -0.588 0.000 0.903 234 W CA -0.032 57.019 57.345 -0.489 0.000 1.253 234 W CB -0.293 28.928 29.460 -0.398 0.000 1.016 234 W HN -0.107 nan 8.180 nan 0.000 0.537 235 A N 2.016 124.198 122.820 -1.062 0.000 1.970 235 A HA 0.419 4.737 4.320 -0.003 0.000 0.216 235 A C 1.487 178.557 177.584 -0.856 0.000 1.170 235 A CA 1.021 52.462 52.037 -0.994 0.000 0.645 235 A CB -0.998 17.052 19.000 -1.584 0.000 0.816 235 A HN 0.167 nan 8.150 nan 0.000 0.447 236 A N -1.048 121.112 122.820 -1.101 0.000 2.546 236 A HA 0.432 4.750 4.320 -0.003 0.000 0.243 236 A C 1.660 178.669 177.584 -0.959 0.000 1.063 236 A CA 0.755 52.193 52.037 -0.998 0.000 0.757 236 A CB -0.663 17.867 19.000 -0.782 0.000 0.991 236 A HN 2.026 nan 8.150 nan 0.000 0.503 237 G N 1.349 109.319 108.800 -1.384 0.000 2.317 237 G HA2 -0.308 3.650 3.960 -0.003 0.000 0.227 237 G HA3 -0.308 3.650 3.960 -0.003 0.000 0.227 237 G C 0.964 175.726 174.900 -0.231 0.000 1.042 237 G CA 0.761 45.501 45.100 -0.599 0.000 0.623 237 G HN 0.731 nan 8.290 nan 0.000 0.509 238 Q N 0.145 119.813 119.800 -0.220 0.000 2.204 238 Q HA 0.566 4.904 4.340 -0.003 0.000 0.198 238 Q C 1.120 177.116 176.000 -0.007 0.000 0.946 238 Q CA 1.205 56.966 55.803 -0.070 0.000 0.859 238 Q CB 0.436 29.155 28.738 -0.031 0.000 0.946 238 Q HN 1.125 nan 8.270 nan 0.000 0.474 239 A N 0.253 123.079 122.820 0.010 0.000 2.594 239 A HA 0.399 4.718 4.320 -0.003 0.000 0.295 239 A C -2.387 175.369 177.584 0.288 0.000 1.071 239 A CA -1.188 50.915 52.037 0.109 0.000 0.685 239 A CB 0.976 20.006 19.000 0.049 0.000 1.285 239 A HN -0.163 nan 8.150 nan 0.000 0.405 240 P HA 0.107 nan 4.420 nan 0.000 0.229 240 P C 0.054 177.485 177.300 0.219 0.000 1.160 240 P CA 0.819 64.104 63.100 0.307 0.000 0.777 240 P CB -0.289 31.519 31.700 0.179 0.000 0.814 241 L N -3.275 118.014 121.223 0.110 0.000 2.506 241 L HA 0.789 5.127 4.340 -0.003 0.000 0.257 241 L C -2.061 174.796 176.870 -0.022 0.000 0.964 241 L CA -1.348 53.420 54.840 -0.121 0.000 0.836 241 L CB 1.729 43.714 42.059 -0.123 0.000 1.384 241 L HN -0.116 nan 8.230 nan 0.000 0.410 242 W N 0.609 121.818 121.300 -0.151 0.000 3.042 242 W HA 0.673 5.331 4.660 -0.003 0.000 0.337 242 W C -0.923 175.491 176.519 -0.175 0.000 1.086 242 W CA -0.983 56.205 57.345 -0.262 0.000 1.236 242 W CB 0.853 30.048 29.460 -0.442 0.000 1.381 242 W HN 0.445 nan 8.180 nan 0.000 0.472 243 R N 2.232 122.709 120.500 -0.037 0.000 2.522 243 R HA 0.103 4.441 4.340 -0.003 0.000 0.284 243 R C 1.070 177.431 176.300 0.103 0.000 1.032 243 R CA 0.927 57.034 56.100 0.012 0.000 1.049 243 R CB 0.902 31.251 30.300 0.081 0.000 0.956 243 R HN 0.828 nan 8.270 nan 0.000 0.422 244 T N -2.468 112.165 114.554 0.131 0.000 3.040 244 T HA 0.074 4.422 4.350 -0.003 0.000 0.250 244 T C 0.789 175.678 174.700 0.315 0.000 1.058 244 T CA 0.101 62.375 62.100 0.289 0.000 0.988 244 T CB 0.162 69.156 68.868 0.211 0.000 0.993 244 T HN 0.575 nan 8.240 nan 0.000 0.519 245 S N 0.608 116.456 115.700 0.247 0.000 2.672 245 S HA 0.579 5.048 4.470 -0.003 0.000 0.271 245 S C -0.193 174.565 174.600 0.264 0.000 1.171 245 S CA -0.533 57.825 58.200 0.262 0.000 0.817 245 S CB 1.013 64.324 63.200 0.186 0.000 1.150 245 S HN 0.458 nan 8.310 nan 0.000 0.478 246 T N -0.391 114.304 114.554 0.235 0.000 2.698 246 T HA 0.407 4.756 4.350 -0.003 0.000 0.295 246 T C -0.511 174.244 174.700 0.092 0.000 1.007 246 T CA -0.332 61.847 62.100 0.130 0.000 0.980 246 T CB -0.562 68.388 68.868 0.137 0.000 1.036 246 T HN 0.599 nan 8.240 nan 0.000 0.526 247 D N 0.044 120.427 120.400 -0.028 0.000 2.424 247 D HA 0.120 4.759 4.640 -0.003 0.000 0.244 247 D C 1.174 177.429 176.300 -0.075 0.000 1.134 247 D CA -0.253 53.634 54.000 -0.189 0.000 0.881 247 D CB 0.594 40.982 40.800 -0.686 0.000 1.191 247 D HN 0.569 nan 8.370 nan 0.000 0.445 248 I N 1.671 122.242 120.570 0.001 0.000 2.361 248 I HA -0.055 4.113 4.170 -0.003 0.000 0.251 248 I C 0.613 176.733 176.117 0.005 0.000 1.133 248 I CA 1.055 62.394 61.300 0.065 0.000 1.413 248 I CB 0.291 38.367 38.000 0.127 0.000 1.073 248 I HN 0.336 nan 8.210 nan 0.000 0.424 249 I N -1.149 119.367 120.570 -0.090 0.000 2.722 249 I HA 0.264 4.432 4.170 -0.003 0.000 0.295 249 I C -1.620 174.370 176.117 -0.212 0.000 1.161 249 I CA -0.855 60.403 61.300 -0.071 0.000 1.032 249 I CB 1.848 39.806 38.000 -0.070 0.000 1.244 249 I HN -0.201 nan 8.210 nan 0.000 0.421 250 Y N 5.659 126.002 120.300 0.072 0.000 2.360 250 Y HA 0.304 4.852 4.550 -0.003 0.000 0.337 250 Y C -0.412 175.539 175.900 0.085 0.000 1.039 250 Y CA -0.222 57.944 58.100 0.110 0.000 1.109 250 Y CB 1.103 39.604 38.460 0.069 0.000 1.201 250 Y HN 0.401 nan 8.280 nan 0.000 0.458 251 Y N 2.354 122.691 120.300 0.061 0.000 2.805 251 Y HA 0.266 4.814 4.550 -0.003 0.000 0.331 251 Y C 1.155 177.046 175.900 -0.016 0.000 1.241 251 Y CA 1.453 59.507 58.100 -0.077 0.000 1.546 251 Y CB 0.101 38.467 38.460 -0.156 0.000 1.248 251 Y HN 0.854 nan 8.280 nan 0.000 0.559 252 G N 3.520 112.049 108.800 -0.452 0.000 2.232 252 G HA2 -0.269 3.689 3.960 -0.003 0.000 0.226 252 G HA3 -0.269 3.689 3.960 -0.003 0.000 0.226 252 G C 0.090 174.892 174.900 -0.163 0.000 0.996 252 G CA -0.063 44.833 45.100 -0.341 0.000 0.626 252 G HN 0.607 nan 8.290 nan 0.000 0.509 253 N N 1.016 119.667 118.700 -0.081 0.000 2.495 253 N HA 0.515 5.253 4.740 -0.003 0.000 0.280 253 N C 0.098 175.571 175.510 -0.062 0.000 1.168 253 N CA -0.302 52.726 53.050 -0.036 0.000 0.978 253 N CB 0.638 39.148 38.487 0.039 0.000 1.191 253 N HN 0.234 nan 8.380 nan 0.000 0.497 254 Q N 0.782 120.558 119.800 -0.041 0.000 2.299 254 Q HA 0.398 4.736 4.340 -0.003 0.000 0.246 254 Q C -2.057 173.917 176.000 -0.044 0.000 0.935 254 Q CA -1.577 54.199 55.803 -0.045 0.000 0.887 254 Q CB -0.151 28.580 28.738 -0.013 0.000 1.223 254 Q HN 0.302 nan 8.270 nan 0.000 0.439 255 P HA -0.027 nan 4.420 nan 0.000 0.262 255 P C -0.614 176.696 177.300 0.017 0.000 1.182 255 P CA 0.359 63.319 63.100 -0.233 0.000 0.761 255 P CB 0.542 31.863 31.700 -0.633 0.000 0.795 256 S N 3.187 118.925 115.700 0.064 0.000 2.561 256 S HA 0.338 4.807 4.470 -0.003 0.000 0.303 256 S C 1.103 175.864 174.600 0.269 0.000 1.110 256 S CA -0.688 57.630 58.200 0.195 0.000 1.034 256 S CB 0.450 63.715 63.200 0.108 0.000 1.010 256 S HN 0.155 nan 8.310 nan 0.000 0.482 257 M N 3.246 123.008 119.600 0.271 0.000 2.213 257 M HA -0.047 4.431 4.480 -0.003 0.000 0.263 257 M C 1.916 178.278 176.300 0.103 0.000 1.062 257 M CA 1.512 56.900 55.300 0.145 0.000 1.105 257 M CB -1.857 30.721 32.600 -0.037 0.000 1.385 257 M HN 0.739 nan 8.290 nan 0.000 0.417 258 T N -0.045 114.568 114.554 0.098 0.000 2.708 258 T HA -0.136 4.212 4.350 -0.003 0.000 0.266 258 T C 2.065 176.832 174.700 0.111 0.000 1.037 258 T CA 2.015 64.172 62.100 0.094 0.000 1.146 258 T CB -0.287 68.630 68.868 0.083 0.000 0.865 258 T HN 0.411 nan 8.240 nan 0.000 0.435 259 S N 0.756 116.524 115.700 0.114 0.000 2.356 259 S HA -0.040 4.429 4.470 -0.003 0.000 0.223 259 S C 2.030 176.717 174.600 0.145 0.000 1.032 259 S CA 1.133 59.407 58.200 0.124 0.000 1.005 259 S CB -0.596 62.671 63.200 0.113 0.000 0.867 259 S HN 0.466 nan 8.310 nan 0.000 0.449 260 L N 1.058 122.355 121.223 0.124 0.000 1.990 260 L HA -0.142 4.196 4.340 -0.003 0.000 0.213 260 L C 2.276 179.302 176.870 0.260 0.000 1.072 260 L CA 1.868 56.789 54.840 0.135 0.000 0.755 260 L CB -0.391 41.648 42.059 -0.034 0.000 0.889 260 L HN 0.401 nan 8.230 nan 0.000 0.432 261 L N -0.926 120.409 121.223 0.188 0.000 2.083 261 L HA -0.219 4.120 4.340 -0.003 0.000 0.209 261 L C 2.809 179.817 176.870 0.230 0.000 1.083 261 L CA 1.381 56.354 54.840 0.222 0.000 0.752 261 L CB -0.693 41.458 42.059 0.153 0.000 0.899 261 L HN 0.363 nan 8.230 nan 0.000 0.433 262 S N 0.227 116.029 115.700 0.170 0.000 2.368 262 S HA -0.167 4.301 4.470 -0.003 0.000 0.225 262 S C 1.788 176.458 174.600 0.116 0.000 1.030 262 S CA 1.684 59.959 58.200 0.126 0.000 0.999 262 S CB -0.182 63.084 63.200 0.110 0.000 0.844 262 S HN 0.421 nan 8.310 nan 0.000 0.459 263 N N 0.588 119.391 118.700 0.172 0.000 2.120 263 N HA -0.032 4.706 4.740 -0.003 0.000 0.188 263 N C 1.349 176.884 175.510 0.042 0.000 1.024 263 N CA 1.397 54.538 53.050 0.151 0.000 0.852 263 N CB -0.663 37.988 38.487 0.273 0.000 1.003 263 N HN 0.527 nan 8.380 nan 0.000 0.424 264 F N 1.881 121.802 119.950 -0.049 0.000 2.102 264 F HA -0.170 4.356 4.527 -0.003 0.000 0.298 264 F C 1.748 177.434 175.800 -0.189 0.000 1.105 264 F CA 1.464 59.333 58.000 -0.219 0.000 1.239 264 F CB -0.361 38.585 39.000 -0.090 0.000 0.991 264 F HN -0.037 nan 8.300 nan 0.000 0.474 265 D N 0.048 120.321 120.400 -0.212 0.000 2.149 265 D HA -0.200 4.439 4.640 -0.003 0.000 0.198 265 D C 2.133 178.201 176.300 -0.387 0.000 0.990 265 D CA 1.442 55.254 54.000 -0.313 0.000 0.839 265 D CB -0.455 40.306 40.800 -0.064 0.000 0.948 265 D HN 0.520 nan 8.370 nan 0.000 0.460 266 Q N -0.604 119.041 119.800 -0.259 0.000 2.435 266 Q HA -0.014 4.324 4.340 -0.003 0.000 0.207 266 Q C 1.571 177.404 176.000 -0.279 0.000 0.956 266 Q CA 0.621 56.285 55.803 -0.232 0.000 0.917 266 Q CB 0.237 28.949 28.738 -0.043 0.000 0.997 266 Q HN 0.071 nan 8.270 nan 0.000 0.497 267 T N 0.000 114.330 114.554 -0.373 0.000 3.081 267 T HA 0.175 4.523 4.350 -0.003 0.000 0.250 267 T C 0.384 174.830 174.700 -0.423 0.000 1.100 267 T CA -0.136 61.781 62.100 -0.305 0.000 1.038 267 T CB 0.191 68.837 68.868 -0.368 0.000 0.962 267 T HN 0.087 nan 8.240 nan 0.000 0.516 268 L N 3.414 124.202 121.223 -0.726 0.000 2.385 268 L HA 0.293 4.631 4.340 -0.003 0.000 0.285 268 L C -0.223 176.083 176.870 -0.939 0.000 1.125 268 L CA 0.039 54.466 54.840 -0.687 0.000 0.890 268 L CB -0.060 41.633 42.059 -0.610 0.000 1.251 268 L HN 0.257 nan 8.230 nan 0.000 0.445 269 H N 3.893 122.757 119.070 -0.344 0.000 2.538 269 H HA 0.171 4.726 4.556 -0.003 0.000 0.239 269 H C -1.913 173.333 175.328 -0.136 0.000 1.401 269 H CA -1.290 54.565 56.048 -0.322 0.000 1.499 269 H CB 1.244 30.748 29.762 -0.430 0.000 1.624 269 H HN 0.397 nan 8.280 nan 0.000 0.524 270 P HA -0.109 nan 4.420 nan 0.000 0.225 270 P C 1.540 178.873 177.300 0.056 0.000 1.156 270 P CA 0.964 64.061 63.100 -0.004 0.000 0.787 270 P CB 0.103 31.790 31.700 -0.021 0.000 0.802 271 T N -3.291 111.302 114.554 0.065 0.000 3.023 271 T HA 0.169 4.518 4.350 -0.003 0.000 0.266 271 T C 1.915 176.724 174.700 0.181 0.000 1.093 271 T CA 0.837 63.001 62.100 0.107 0.000 1.129 271 T CB -0.689 68.216 68.868 0.061 0.000 0.899 271 T HN -0.004 nan 8.240 nan 0.000 0.491 272 A N 0.573 123.465 122.820 0.120 0.000 2.072 272 A HA 0.253 4.571 4.320 -0.003 0.000 0.216 272 A C 1.398 178.957 177.584 -0.041 0.000 1.156 272 A CA 0.116 52.188 52.037 0.059 0.000 0.701 272 A CB -0.265 18.814 19.000 0.131 0.000 0.816 272 A HN 0.649 nan 8.150 nan 0.000 0.458 273 Q N 0.932 120.718 119.800 -0.024 0.000 2.290 273 Q HA 0.502 4.840 4.340 -0.003 0.000 0.259 273 Q C -1.070 174.764 176.000 -0.278 0.000 0.941 273 Q CA -0.634 55.058 55.803 -0.186 0.000 0.912 273 Q CB 0.467 29.123 28.738 -0.135 0.000 1.244 273 Q HN 0.754 nan 8.270 nan 0.000 0.441 274 H N 0.381 119.379 119.070 -0.120 0.000 2.919 274 H HA 0.072 4.626 4.556 -0.003 0.000 0.270 274 H C -0.779 174.395 175.328 -0.257 0.000 1.412 274 H CA -0.197 55.746 56.048 -0.174 0.000 1.261 274 H CB 0.152 29.860 29.762 -0.090 0.000 1.850 274 H HN 0.742 nan 8.280 nan 0.000 0.478 275 T N -1.706 112.772 114.554 -0.126 0.000 3.708 275 T HA -0.174 4.175 4.350 -0.003 0.000 0.375 275 T C 1.259 175.630 174.700 -0.548 0.000 0.763 275 T CA 2.298 64.239 62.100 -0.264 0.000 1.915 275 T CB -2.347 66.377 68.868 -0.239 0.000 1.783 275 T HN 2.366 nan 8.240 nan 0.000 0.734 276 G N -0.758 107.757 108.800 -0.476 0.000 2.175 276 G HA2 -0.204 3.754 3.960 -0.003 0.000 0.244 276 G HA3 -0.204 3.754 3.960 -0.003 0.000 0.244 276 G C -0.239 174.428 174.900 -0.389 0.000 0.982 276 G CA 0.039 44.929 45.100 -0.349 0.000 0.641 276 G HN 1.032 nan 8.290 nan 0.000 0.527 277 Y N 0.029 120.101 120.300 -0.380 0.000 2.328 277 Y HA 0.738 5.286 4.550 -0.003 0.000 0.337 277 Y C -0.016 175.506 175.900 -0.631 0.000 0.966 277 Y CA -1.732 56.242 58.100 -0.210 0.000 1.136 277 Y CB 1.002 39.441 38.460 -0.036 0.000 1.170 277 Y HN 0.167 nan 8.280 nan 0.000 0.470 278 Y N 1.372 121.456 120.300 -0.360 0.000 2.425 278 Y HA 0.343 4.891 4.550 -0.003 0.000 0.344 278 Y C 0.091 175.088 175.900 -1.506 0.000 0.969 278 Y CA -1.422 56.278 58.100 -0.666 0.000 1.052 278 Y CB 1.432 39.655 38.460 -0.395 0.000 1.215 278 Y HN 0.543 nan 8.280 nan 0.000 0.451 279 N N 2.190 120.323 118.700 -0.945 0.000 2.492 279 N HA -0.022 4.717 4.740 -0.003 0.000 0.262 279 N C -1.072 174.079 175.510 -0.598 0.000 1.202 279 N CA 0.406 52.923 53.050 -0.888 0.000 0.926 279 N CB 0.791 39.106 38.487 -0.287 0.000 1.078 279 N HN 0.637 nan 8.380 nan 0.000 0.454 280 D N 1.932 122.004 120.400 -0.546 0.000 2.461 280 D HA 0.237 4.876 4.640 -0.003 0.000 0.240 280 D C -1.969 174.220 176.300 -0.185 0.000 1.094 280 D CA -2.088 51.728 54.000 -0.306 0.000 0.868 280 D CB 1.374 42.033 40.800 -0.236 0.000 1.062 280 D HN 0.236 nan 8.370 nan 0.000 0.530 281 P HA 0.130 nan 4.420 nan 0.000 0.249 281 P C -0.464 176.951 177.300 0.191 0.000 1.241 281 P CA 0.172 63.153 63.100 -0.198 0.000 0.781 281 P CB 0.346 31.580 31.700 -0.776 0.000 1.088 282 D N -1.578 118.970 120.400 0.247 0.000 10.477 282 D HA -0.082 4.557 4.640 -0.003 0.000 0.342 282 D C -0.369 176.179 176.300 0.415 0.000 3.140 282 D CA -0.231 53.950 54.000 0.301 0.000 2.631 282 D CB -0.955 39.997 40.800 0.253 0.000 1.274 282 D HN -0.133 nan 8.370 nan 0.000 0.953 283 M N 1.018 120.754 119.600 0.227 0.000 2.249 283 M HA 0.183 4.661 4.480 -0.003 0.000 0.340 283 M C 0.377 176.713 176.300 0.061 0.000 1.166 283 M CA 0.138 55.514 55.300 0.127 0.000 1.115 283 M CB 0.205 32.833 32.600 0.046 0.000 1.606 283 M HN 0.199 nan 8.290 nan 0.000 0.448 284 L N 3.496 124.663 121.223 -0.094 0.000 2.456 284 L HA 0.047 4.385 4.340 -0.003 0.000 0.272 284 L C 0.994 177.732 176.870 -0.220 0.000 1.189 284 L CA 0.278 54.892 54.840 -0.377 0.000 0.846 284 L CB 0.347 42.111 42.059 -0.492 0.000 1.111 284 L HN 0.846 nan 8.230 nan 0.000 0.475 285 M N 1.956 121.465 119.600 -0.151 0.000 2.428 285 M HA 0.102 4.581 4.480 -0.003 0.000 0.239 285 M C -0.047 176.121 176.300 -0.220 0.000 1.121 285 M CA -0.211 54.958 55.300 -0.218 0.000 1.019 285 M CB 0.502 32.858 32.600 -0.406 0.000 1.485 285 M HN 0.317 nan 8.290 nan 0.000 0.484 286 V N 1.988 121.776 119.914 -0.209 0.000 2.625 286 V HA -0.028 4.090 4.120 -0.003 0.000 0.305 286 V C 1.402 177.458 176.094 -0.063 0.000 1.055 286 V CA 1.688 63.930 62.300 -0.097 0.000 1.209 286 V CB -0.273 31.436 31.823 -0.190 0.000 0.877 286 V HN 0.882 nan 8.190 nan 0.000 0.489 287 G N 4.003 112.804 108.800 0.001 0.000 2.179 287 G HA2 -0.267 3.691 3.960 -0.003 0.000 0.260 287 G HA3 -0.267 3.691 3.960 -0.003 0.000 0.260 287 G C 0.155 175.037 174.900 -0.029 0.000 0.977 287 G CA 0.282 45.377 45.100 -0.009 0.000 0.641 287 G HN 0.563 nan 8.290 nan 0.000 0.533 288 M N 1.254 120.809 119.600 -0.075 0.000 2.241 288 M HA 0.274 4.752 4.480 -0.003 0.000 0.335 288 M C -0.022 176.240 176.300 -0.063 0.000 1.122 288 M CA -0.425 54.809 55.300 -0.110 0.000 1.164 288 M CB 0.276 32.756 32.600 -0.201 0.000 1.459 288 M HN 0.017 nan 8.290 nan 0.000 0.461 289 D N 1.622 121.982 120.400 -0.067 0.000 2.450 289 D HA 0.207 4.845 4.640 -0.003 0.000 0.247 289 D C 1.028 177.327 176.300 -0.001 0.000 1.162 289 D CA 1.256 55.237 54.000 -0.033 0.000 0.879 289 D CB 0.792 41.562 40.800 -0.051 0.000 1.163 289 D HN 0.894 nan 8.370 nan 0.000 0.472 290 G N 1.842 110.669 108.800 0.046 0.000 2.284 290 G HA2 -0.250 3.709 3.960 -0.003 0.000 0.216 290 G HA3 -0.250 3.709 3.960 -0.003 0.000 0.216 290 G C 0.169 175.196 174.900 0.212 0.000 1.009 290 G CA -0.605 44.552 45.100 0.094 0.000 0.625 290 G HN 0.397 nan 8.290 nan 0.000 0.501 291 F N 3.685 123.605 119.950 -0.050 0.000 2.427 291 F HA 0.551 5.076 4.527 -0.003 0.000 0.352 291 F C 1.568 177.331 175.800 -0.061 0.000 1.100 291 F CA -0.137 57.830 58.000 -0.055 0.000 1.191 291 F CB 1.113 40.083 39.000 -0.050 0.000 1.128 291 F HN 0.281 nan 8.300 nan 0.000 0.533 292 T N 0.549 115.058 114.554 -0.075 0.000 2.816 292 T HA 0.500 4.848 4.350 -0.003 0.000 0.282 292 T C 1.275 175.907 174.700 -0.113 0.000 0.993 292 T CA -0.280 61.764 62.100 -0.094 0.000 0.994 292 T CB 1.162 69.945 68.868 -0.140 0.000 1.025 292 T HN 0.610 nan 8.240 nan 0.000 0.529 293 A N 0.987 123.740 122.820 -0.112 0.000 1.917 293 A HA 0.082 4.400 4.320 -0.003 0.000 0.219 293 A C 2.661 180.107 177.584 -0.230 0.000 1.182 293 A CA 2.135 54.084 52.037 -0.147 0.000 0.633 293 A CB -1.627 17.292 19.000 -0.136 0.000 0.819 293 A HN 1.264 nan 8.150 nan 0.000 0.448 294 A N -0.848 121.833 122.820 -0.230 0.000 1.902 294 A HA -0.214 4.104 4.320 -0.003 0.000 0.217 294 A C 2.119 179.527 177.584 -0.294 0.000 1.181 294 A CA 1.693 53.569 52.037 -0.268 0.000 0.623 294 A CB -0.574 18.299 19.000 -0.211 0.000 0.818 294 A HN 0.671 nan 8.150 nan 0.000 0.443 295 Q N -0.375 119.220 119.800 -0.343 0.000 2.119 295 Q HA -0.155 4.183 4.340 -0.003 0.000 0.201 295 Q C 1.849 177.675 176.000 -0.289 0.000 0.972 295 Q CA 1.325 56.819 55.803 -0.516 0.000 0.847 295 Q CB -0.223 27.869 28.738 -1.078 0.000 0.903 295 Q HN 0.615 nan 8.270 nan 0.000 0.433 296 N N 0.818 119.444 118.700 -0.123 0.000 2.069 296 N HA -0.139 4.600 4.740 -0.003 0.000 0.191 296 N C 1.648 177.120 175.510 -0.063 0.000 1.031 296 N CA 1.240 54.307 53.050 0.030 0.000 0.852 296 N CB -0.187 38.301 38.487 0.001 0.000 1.018 296 N HN 0.226 nan 8.380 nan 0.000 0.423 297 R N 0.041 120.375 120.500 -0.277 0.000 2.073 297 R HA -0.022 4.316 4.340 -0.003 0.000 0.234 297 R C 2.138 178.371 176.300 -0.113 0.000 1.134 297 R CA 1.564 57.402 56.100 -0.437 0.000 0.952 297 R CB -0.678 28.939 30.300 -1.139 0.000 0.850 297 R HN 0.209 nan 8.270 nan 0.000 0.433 298 T N 0.198 114.669 114.554 -0.138 0.000 2.720 298 T HA -0.204 4.145 4.350 -0.003 0.000 0.268 298 T C 1.628 176.349 174.700 0.035 0.000 1.037 298 T CA 1.506 63.571 62.100 -0.058 0.000 1.144 298 T CB -0.411 68.380 68.868 -0.129 0.000 0.864 298 T HN 0.317 nan 8.240 nan 0.000 0.444 299 H N 1.019 120.046 119.070 -0.071 0.000 2.319 299 H HA -0.018 4.536 4.556 -0.003 0.000 0.299 299 H C 2.178 177.473 175.328 -0.055 0.000 1.092 299 H CA 1.447 57.426 56.048 -0.115 0.000 1.302 299 H CB -0.368 29.320 29.762 -0.123 0.000 1.373 299 H HN 0.185 nan 8.280 nan 0.000 0.497 300 M N 0.285 119.986 119.600 0.168 0.000 2.117 300 M HA -0.145 4.333 4.480 -0.003 0.000 0.262 300 M C 1.942 178.410 176.300 0.280 0.000 1.065 300 M CA 1.003 56.430 55.300 0.211 0.000 1.114 300 M CB -0.953 31.844 32.600 0.327 0.000 1.361 300 M HN 0.265 nan 8.290 nan 0.000 0.408 301 N N 0.692 119.556 118.700 0.273 0.000 2.084 301 N HA -0.064 4.674 4.740 -0.003 0.000 0.190 301 N C 1.928 177.517 175.510 0.132 0.000 1.030 301 N CA 1.191 54.375 53.050 0.224 0.000 0.849 301 N CB -0.479 38.129 38.487 0.203 0.000 1.012 301 N HN 0.357 nan 8.380 nan 0.000 0.423 302 L N -0.885 120.390 121.223 0.086 0.000 2.109 302 L HA -0.056 4.282 4.340 -0.003 0.000 0.207 302 L C 2.416 179.430 176.870 0.241 0.000 1.086 302 L CA 0.740 55.506 54.840 -0.123 0.000 0.760 302 L CB -0.316 41.463 42.059 -0.466 0.000 0.910 302 L HN 0.305 nan 8.230 nan 0.000 0.437 303 W N 0.223 121.560 121.300 0.061 0.000 2.355 303 W HA -0.224 4.434 4.660 -0.003 0.000 0.309 303 W C 2.652 179.214 176.519 0.072 0.000 1.206 303 W CA 0.790 58.203 57.345 0.114 0.000 1.284 303 W CB -0.099 29.429 29.460 0.115 0.000 1.145 303 W HN 0.198 nan 8.180 nan 0.000 0.502 304 A N 0.269 123.250 122.820 0.268 0.000 1.902 304 A HA -0.228 4.090 4.320 -0.003 0.000 0.217 304 A C 1.781 179.429 177.584 0.106 0.000 1.181 304 A CA 1.711 53.832 52.037 0.140 0.000 0.623 304 A CB -0.936 18.129 19.000 0.108 0.000 0.818 304 A HN 0.206 nan 8.150 nan 0.000 0.443 305 I N -0.589 120.053 120.570 0.119 0.000 2.394 305 I HA -0.134 4.034 4.170 -0.003 0.000 0.251 305 I C 2.589 178.781 176.117 0.125 0.000 1.136 305 I CA 1.682 63.053 61.300 0.118 0.000 1.425 305 I CB -0.133 37.940 38.000 0.122 0.000 1.079 305 I HN 0.294 nan 8.210 nan 0.000 0.425 306 S N 0.060 115.837 115.700 0.127 0.000 2.436 306 S HA 0.054 4.522 4.470 -0.003 0.000 0.228 306 S C 1.626 176.250 174.600 0.040 0.000 1.014 306 S CA 0.855 59.083 58.200 0.047 0.000 0.950 306 S CB -0.534 62.632 63.200 -0.056 0.000 0.784 306 S HN 0.747 nan 8.310 nan 0.000 0.504 307 G N 0.694 109.522 108.800 0.048 0.000 2.160 307 G HA2 -0.107 3.851 3.960 -0.003 0.000 0.244 307 G HA3 -0.107 3.851 3.960 -0.003 0.000 0.244 307 G C 0.143 174.994 174.900 -0.082 0.000 1.022 307 G CA 0.253 45.374 45.100 0.034 0.000 0.741 307 G HN 1.016 nan 8.290 nan 0.000 0.508 308 A N 0.117 122.885 122.820 -0.087 0.000 2.366 308 A HA 0.723 5.041 4.320 -0.003 0.000 0.249 308 A C -1.263 176.256 177.584 -0.109 0.000 1.084 308 A CA -0.757 51.181 52.037 -0.166 0.000 0.794 308 A CB 0.275 19.058 19.000 -0.361 0.000 1.034 308 A HN 0.222 nan 8.150 nan 0.000 0.491 309 P HA 0.180 nan 4.420 nan 0.000 0.267 309 P C -0.920 176.467 177.300 0.143 0.000 1.200 309 P CA 0.378 63.461 63.100 -0.030 0.000 0.772 309 P CB 0.253 31.953 31.700 0.000 0.000 0.855 310 L N 3.456 124.745 121.223 0.109 0.000 2.371 310 L HA 0.350 4.688 4.340 -0.003 0.000 0.262 310 L C -0.228 176.786 176.870 0.240 0.000 1.054 310 L CA -0.117 54.833 54.840 0.184 0.000 0.924 310 L CB -0.072 42.062 42.059 0.126 0.000 1.295 310 L HN 0.195 nan 8.230 nan 0.000 0.441 311 L N 2.885 124.216 121.223 0.180 0.000 2.313 311 L HA 0.544 4.883 4.340 -0.003 0.000 0.273 311 L C 0.774 177.689 176.870 0.075 0.000 1.028 311 L CA -0.374 54.551 54.840 0.142 0.000 0.871 311 L CB 1.433 43.521 42.059 0.049 0.000 1.242 311 L HN 0.553 nan 8.230 nan 0.000 0.434 312 A N 2.049 124.955 122.820 0.143 0.000 2.520 312 A HA 0.450 4.768 4.320 -0.003 0.000 0.235 312 A C 1.105 178.656 177.584 -0.056 0.000 1.065 312 A CA 0.598 52.681 52.037 0.076 0.000 0.764 312 A CB 0.344 19.441 19.000 0.162 0.000 1.002 312 A HN 0.874 nan 8.150 nan 0.000 0.502 313 G N 1.353 110.116 108.800 -0.062 0.000 3.651 313 G HA2 0.126 4.084 3.960 -0.003 0.000 0.267 313 G HA3 0.126 4.084 3.960 -0.003 0.000 0.267 313 G C 0.249 175.153 174.900 0.007 0.000 1.009 313 G CA 0.117 45.126 45.100 -0.151 0.000 0.866 313 G HN 0.870 nan 8.290 nan 0.000 0.488 314 N N 0.514 119.280 118.700 0.110 0.000 2.347 314 N HA 0.127 4.865 4.740 -0.003 0.000 0.253 314 N C -1.175 174.483 175.510 0.248 0.000 1.274 314 N CA -0.397 52.707 53.050 0.091 0.000 0.941 314 N CB 0.916 39.420 38.487 0.028 0.000 1.200 314 N HN -0.120 nan 8.380 nan 0.000 0.514 315 D N 0.182 120.635 120.400 0.089 0.000 2.336 315 D HA 0.124 4.763 4.640 -0.003 0.000 0.249 315 D C 1.011 177.361 176.300 0.084 0.000 1.213 315 D CA -0.322 53.751 54.000 0.122 0.000 0.870 315 D CB 0.309 41.099 40.800 -0.016 0.000 1.076 315 D HN 0.496 nan 8.370 nan 0.000 0.483 316 L N 2.861 124.115 121.223 0.051 0.000 2.291 316 L HA -0.101 4.237 4.340 -0.003 0.000 0.214 316 L C 2.380 179.225 176.870 -0.043 0.000 1.120 316 L CA 1.176 55.986 54.840 -0.050 0.000 0.799 316 L CB -0.481 41.471 42.059 -0.179 0.000 0.925 316 L HN 0.495 nan 8.230 nan 0.000 0.446 317 T N -4.438 110.107 114.554 -0.013 0.000 2.995 317 T HA -0.100 4.249 4.350 -0.003 0.000 0.269 317 T C 1.489 176.185 174.700 -0.007 0.000 1.091 317 T CA 1.274 63.367 62.100 -0.012 0.000 1.128 317 T CB -0.399 68.474 68.868 0.008 0.000 0.891 317 T HN 0.390 nan 8.240 nan 0.000 0.492 318 T N -1.151 113.403 114.554 -0.001 0.000 3.174 318 T HA 0.445 4.793 4.350 -0.003 0.000 0.269 318 T C 0.316 175.006 174.700 -0.016 0.000 1.017 318 T CA -0.669 61.425 62.100 -0.009 0.000 0.899 318 T CB -0.468 68.395 68.868 -0.008 0.000 1.077 318 T HN 0.416 nan 8.240 nan 0.000 0.552 319 M N 4.188 123.775 119.600 -0.022 0.000 2.238 319 M HA 0.240 4.719 4.480 -0.003 0.000 0.350 319 M C 0.593 176.875 176.300 -0.029 0.000 1.321 319 M CA -0.099 55.184 55.300 -0.028 0.000 1.097 319 M CB 0.751 33.325 32.600 -0.042 0.000 1.713 319 M HN 0.452 nan 8.290 nan 0.000 0.455 320 T N 1.377 115.915 114.554 -0.026 0.000 2.766 320 T HA 0.111 4.460 4.350 -0.003 0.000 0.295 320 T C 0.970 175.655 174.700 -0.025 0.000 1.024 320 T CA -0.237 61.849 62.100 -0.023 0.000 1.018 320 T CB 1.279 70.135 68.868 -0.020 0.000 1.002 320 T HN 0.806 nan 8.240 nan 0.000 0.532 321 S N -0.445 115.243 115.700 -0.020 0.000 2.368 321 S HA -0.145 4.323 4.470 -0.003 0.000 0.225 321 S C 1.934 176.527 174.600 -0.011 0.000 1.030 321 S CA 1.675 59.865 58.200 -0.017 0.000 0.999 321 S CB -0.683 62.510 63.200 -0.012 0.000 0.844 321 S HN 0.885 nan 8.310 nan 0.000 0.459 322 E N -0.281 119.913 120.200 -0.011 0.000 2.077 322 E HA -0.120 4.228 4.350 -0.003 0.000 0.193 322 E C 1.906 178.502 176.600 -0.007 0.000 0.989 322 E CA 1.663 58.058 56.400 -0.007 0.000 0.800 322 E CB -0.279 29.409 29.700 -0.020 0.000 0.746 322 E HN 0.504 nan 8.360 nan 0.000 0.452 323 T N 0.548 115.092 114.554 -0.018 0.000 2.708 323 T HA -0.167 4.181 4.350 -0.003 0.000 0.266 323 T C 1.867 176.554 174.700 -0.021 0.000 1.037 323 T CA 1.339 63.427 62.100 -0.020 0.000 1.146 323 T CB -0.432 68.420 68.868 -0.026 0.000 0.865 323 T HN 0.362 nan 8.240 nan 0.000 0.435 324 A N 1.441 124.240 122.820 -0.036 0.000 1.892 324 A HA -0.005 4.313 4.320 -0.003 0.000 0.218 324 A C 2.630 180.206 177.584 -0.014 0.000 1.188 324 A CA 2.063 54.066 52.037 -0.056 0.000 0.631 324 A CB -1.418 17.544 19.000 -0.062 0.000 0.822 324 A HN 0.533 nan 8.150 nan 0.000 0.447 325 G N -0.522 108.291 108.800 0.022 0.000 2.422 325 G HA2 -0.110 3.848 3.960 -0.003 0.000 0.218 325 G HA3 -0.110 3.848 3.960 -0.003 0.000 0.218 325 G C 1.500 176.494 174.900 0.157 0.000 1.140 325 G CA 1.022 46.165 45.100 0.070 0.000 0.775 325 G HN 0.498 nan 8.290 nan 0.000 0.545 326 I N 0.176 120.841 120.570 0.159 0.000 2.233 326 I HA -0.056 4.113 4.170 -0.003 0.000 0.243 326 I C 2.618 178.902 176.117 0.279 0.000 1.093 326 I CA 0.525 61.999 61.300 0.290 0.000 1.380 326 I CB -0.149 37.901 38.000 0.083 0.000 1.067 326 I HN 0.100 nan 8.210 nan 0.000 0.413 327 L N 0.452 121.749 121.223 0.124 0.000 2.127 327 L HA -0.215 4.123 4.340 -0.003 0.000 0.211 327 L C 2.036 179.032 176.870 0.211 0.000 1.089 327 L CA 1.495 56.400 54.840 0.109 0.000 0.757 327 L CB -0.412 41.577 42.059 -0.117 0.000 0.899 327 L HN 0.206 nan 8.230 nan 0.000 0.434 328 K N -0.592 119.890 120.400 0.136 0.000 2.374 328 K HA 0.034 4.352 4.320 -0.003 0.000 0.196 328 K C 0.507 177.144 176.600 0.061 0.000 1.023 328 K CA -0.312 56.050 56.287 0.125 0.000 1.103 328 K CB 0.017 32.550 32.500 0.055 0.000 0.848 328 K HN 0.127 nan 8.250 nan 0.000 0.528 329 N N 2.974 121.699 118.700 0.041 0.000 2.417 329 N HA -0.039 4.699 4.740 -0.003 0.000 0.272 329 N C -1.729 173.700 175.510 -0.134 0.000 1.304 329 N CA -1.052 51.934 53.050 -0.107 0.000 0.906 329 N CB 1.064 39.319 38.487 -0.387 0.000 1.135 329 N HN -0.002 nan 8.380 nan 0.000 0.483 330 P HA -0.048 nan 4.420 nan 0.000 0.225 330 P C 0.471 177.694 177.300 -0.127 0.000 1.156 330 P CA 1.052 64.095 63.100 -0.096 0.000 0.787 330 P CB 0.507 32.165 31.700 -0.070 0.000 0.802 331 E N -0.120 119.972 120.200 -0.180 0.000 2.076 331 E HA -0.050 4.298 4.350 -0.003 0.000 0.190 331 E C 2.106 178.584 176.600 -0.203 0.000 0.979 331 E CA 0.776 57.065 56.400 -0.185 0.000 0.807 331 E CB -0.388 29.184 29.700 -0.213 0.000 0.761 331 E HN 0.051 nan 8.360 nan 0.000 0.454 332 V N 1.755 121.496 119.914 -0.289 0.000 2.358 332 V HA -0.228 3.890 4.120 -0.003 0.000 0.246 332 V C 2.278 178.305 176.094 -0.111 0.000 1.047 332 V CA 1.353 63.514 62.300 -0.232 0.000 1.035 332 V CB -0.357 31.264 31.823 -0.337 0.000 0.658 332 V HN 0.242 nan 8.190 nan 0.000 0.452 333 I N 0.604 121.111 120.570 -0.106 0.000 2.208 333 I HA -0.267 3.901 4.170 -0.003 0.000 0.245 333 I C 2.674 178.741 176.117 -0.084 0.000 1.097 333 I CA 1.546 62.795 61.300 -0.086 0.000 1.363 333 I CB -0.600 37.340 38.000 -0.101 0.000 1.051 333 I HN 0.301 nan 8.210 nan 0.000 0.413 334 A N 0.348 123.117 122.820 -0.085 0.000 1.940 334 A HA -0.153 4.165 4.320 -0.003 0.000 0.219 334 A C 2.436 179.988 177.584 -0.054 0.000 1.176 334 A CA 1.733 53.728 52.037 -0.069 0.000 0.631 334 A CB -0.892 18.066 19.000 -0.070 0.000 0.814 334 A HN 0.258 nan 8.150 nan 0.000 0.446 335 V N 0.321 120.202 119.914 -0.055 0.000 2.307 335 V HA -0.268 3.850 4.120 -0.003 0.000 0.245 335 V C 2.318 178.406 176.094 -0.010 0.000 1.045 335 V CA 2.490 64.772 62.300 -0.029 0.000 1.024 335 V CB -0.813 30.994 31.823 -0.026 0.000 0.651 335 V HN 0.784 nan 8.190 nan 0.000 0.449 336 D N -0.463 119.928 120.400 -0.014 0.000 2.123 336 D HA -0.206 4.432 4.640 -0.003 0.000 0.196 336 D C 1.930 178.203 176.300 -0.045 0.000 0.992 336 D CA 1.142 55.136 54.000 -0.011 0.000 0.833 336 D CB -0.007 40.787 40.800 -0.010 0.000 0.954 336 D HN 0.363 nan 8.370 nan 0.000 0.455 337 Q N 0.595 120.360 119.800 -0.058 0.000 2.247 337 Q HA 0.070 4.408 4.340 -0.003 0.000 0.205 337 Q C -0.558 175.430 176.000 -0.021 0.000 0.896 337 Q CA -0.067 55.698 55.803 -0.065 0.000 0.950 337 Q CB 0.020 28.709 28.738 -0.081 0.000 1.054 337 Q HN 0.453 nan 8.270 nan 0.000 0.482 338 D N 0.005 120.404 120.400 -0.001 0.000 2.571 338 D HA -0.074 4.564 4.640 -0.003 0.000 0.231 338 D C 0.712 177.030 176.300 0.030 0.000 1.133 338 D CA 0.395 54.401 54.000 0.011 0.000 0.862 338 D CB 0.849 41.660 40.800 0.018 0.000 1.179 338 D HN -0.098 nan 8.370 nan 0.000 0.474 339 S N 2.786 118.496 115.700 0.016 0.000 2.440 339 S HA -0.165 4.303 4.470 -0.003 0.000 0.238 339 S C 1.750 176.367 174.600 0.027 0.000 1.010 339 S CA 0.681 58.893 58.200 0.021 0.000 0.972 339 S CB -0.091 63.114 63.200 0.009 0.000 0.774 339 S HN 0.507 nan 8.310 nan 0.000 0.501 340 R N 0.276 120.791 120.500 0.025 0.000 2.240 340 R HA 0.074 4.412 4.340 -0.003 0.000 0.203 340 R C 1.551 177.864 176.300 0.021 0.000 1.011 340 R CA 0.705 56.816 56.100 0.018 0.000 1.007 340 R CB -0.152 30.155 30.300 0.012 0.000 0.911 340 R HN 0.453 nan 8.270 nan 0.000 0.468 341 G N 0.401 109.236 108.800 0.057 0.000 2.162 341 G HA2 -0.272 3.686 3.960 -0.003 0.000 0.260 341 G HA3 -0.272 3.686 3.960 -0.003 0.000 0.260 341 G C 0.028 174.938 174.900 0.016 0.000 0.976 341 G CA 0.321 45.462 45.100 0.069 0.000 0.655 341 G HN 0.202 nan 8.290 nan 0.000 0.533 342 L N 0.039 121.284 121.223 0.037 0.000 2.418 342 L HA 0.470 4.808 4.340 -0.003 0.000 0.265 342 L C 0.925 177.822 176.870 0.044 0.000 1.143 342 L CA -0.489 54.367 54.840 0.026 0.000 0.809 342 L CB 1.037 43.111 42.059 0.024 0.000 1.124 342 L HN 0.278 nan 8.230 nan 0.000 0.456 343 Q N 0.588 120.403 119.800 0.025 0.000 2.256 343 Q HA 0.357 4.696 4.340 -0.003 0.000 0.254 343 Q C 0.022 176.044 176.000 0.037 0.000 0.916 343 Q CA -0.561 55.258 55.803 0.025 0.000 0.932 343 Q CB 1.709 30.438 28.738 -0.016 0.000 1.207 343 Q HN 0.783 nan 8.270 nan 0.000 0.426 344 G N 1.444 110.282 108.800 0.064 0.000 2.614 344 G HA2 0.355 4.313 3.960 -0.003 0.000 0.239 344 G HA3 0.355 4.313 3.960 -0.003 0.000 0.239 344 G C -0.457 174.516 174.900 0.121 0.000 1.240 344 G CA 0.094 45.260 45.100 0.109 0.000 0.842 344 G HN 0.631 nan 8.290 nan 0.000 0.584 345 V N -1.413 118.605 119.914 0.172 0.000 3.114 345 V HA 0.658 4.776 4.120 -0.003 0.000 0.308 345 V C -0.208 176.004 176.094 0.196 0.000 1.168 345 V CA -1.683 60.709 62.300 0.153 0.000 1.015 345 V CB 1.846 33.698 31.823 0.050 0.000 1.050 345 V HN 0.797 nan 8.190 nan 0.000 0.433 346 K N 0.939 121.383 120.400 0.074 0.000 2.368 346 K HA 0.454 4.772 4.320 -0.003 0.000 0.282 346 K C 0.599 177.112 176.600 -0.144 0.000 1.035 346 K CA 0.400 56.518 56.287 -0.282 0.000 0.973 346 K CB 1.476 33.764 32.500 -0.355 0.000 0.957 346 K HN 1.039 nan 8.250 nan 0.000 0.474 347 V N 0.502 120.327 119.914 -0.148 0.000 3.604 347 V HA 0.488 4.606 4.120 -0.003 0.000 0.277 347 V C 0.018 176.079 176.094 -0.055 0.000 1.399 347 V CA 0.352 62.618 62.300 -0.055 0.000 1.034 347 V CB 0.269 32.096 31.823 0.007 0.000 0.824 347 V HN 0.638 nan 8.190 nan 0.000 0.439 348 A N 0.230 122.988 122.820 -0.103 0.000 2.594 348 A HA 0.793 5.111 4.320 -0.003 0.000 0.296 348 A C -0.825 176.701 177.584 -0.096 0.000 1.061 348 A CA -0.091 51.904 52.037 -0.070 0.000 0.689 348 A CB 1.663 20.647 19.000 -0.026 0.000 1.280 348 A HN 0.327 nan 8.150 nan 0.000 0.406 349 E N 1.383 121.545 120.200 -0.063 0.000 3.191 349 E HA 0.201 4.549 4.350 -0.003 0.000 0.303 349 E C -0.793 175.784 176.600 -0.037 0.000 1.197 349 E CA -0.363 56.007 56.400 -0.050 0.000 0.901 349 E CB 0.415 30.087 29.700 -0.047 0.000 1.446 349 E HN 0.608 nan 8.360 nan 0.000 0.385 350 D N 0.717 121.096 120.400 -0.036 0.000 2.183 350 D HA -0.037 4.602 4.640 -0.003 0.000 0.203 350 D C 0.167 176.440 176.300 -0.045 0.000 0.969 350 D CA 1.062 55.040 54.000 -0.037 0.000 0.842 350 D CB 0.421 41.201 40.800 -0.033 0.000 0.957 350 D HN 0.214 nan 8.370 nan 0.000 0.484 351 T N 0.621 115.145 114.554 -0.051 0.000 2.807 351 T HA 0.262 4.610 4.350 -0.003 0.000 0.279 351 T C -0.181 174.489 174.700 -0.050 0.000 0.993 351 T CA -0.602 61.458 62.100 -0.067 0.000 0.970 351 T CB 2.096 70.897 68.868 -0.111 0.000 0.950 351 T HN -0.183 nan 8.240 nan 0.000 0.441 352 T N 2.621 117.152 114.554 -0.038 0.000 2.905 352 T HA 0.325 4.673 4.350 -0.003 0.000 0.299 352 T C 1.570 176.268 174.700 -0.002 0.000 1.024 352 T CA 1.178 63.273 62.100 -0.010 0.000 1.151 352 T CB 0.073 68.942 68.868 0.001 0.000 0.987 352 T HN 1.063 nan 8.240 nan 0.000 0.535 353 G N 2.547 111.364 108.800 0.028 0.000 2.184 353 G HA2 -0.237 3.721 3.960 -0.003 0.000 0.264 353 G HA3 -0.237 3.721 3.960 -0.003 0.000 0.264 353 G C 0.103 175.035 174.900 0.054 0.000 0.975 353 G CA -0.146 44.985 45.100 0.052 0.000 0.642 353 G HN 0.692 nan 8.290 nan 0.000 0.536 354 L N 1.045 122.282 121.223 0.023 0.000 2.301 354 L HA 0.543 4.882 4.340 -0.003 0.000 0.278 354 L C 0.174 177.059 176.870 0.024 0.000 1.022 354 L CA -0.460 54.398 54.840 0.029 0.000 0.854 354 L CB 1.338 43.389 42.059 -0.013 0.000 1.226 354 L HN 0.210 nan 8.230 nan 0.000 0.429 355 Q N 2.241 122.075 119.800 0.056 0.000 2.377 355 Q HA 0.806 5.144 4.340 -0.003 0.000 0.271 355 Q C -0.793 175.214 176.000 0.013 0.000 1.077 355 Q CA -0.759 55.044 55.803 -0.001 0.000 0.820 355 Q CB 3.208 31.963 28.738 0.028 0.000 1.347 355 Q HN 0.691 nan 8.270 nan 0.000 0.444 356 A N 1.984 124.743 122.820 -0.102 0.000 2.330 356 A HA 0.661 4.980 4.320 -0.003 0.000 0.313 356 A C -1.730 175.753 177.584 -0.170 0.000 1.124 356 A CA -0.410 51.616 52.037 -0.019 0.000 0.774 356 A CB 0.501 19.524 19.000 0.038 0.000 1.198 356 A HN 0.638 nan 8.150 nan 0.000 0.465 357 Y N 1.015 121.382 120.300 0.112 0.000 2.341 357 Y HA 0.583 5.131 4.550 -0.003 0.000 0.337 357 Y C 0.960 176.920 175.900 0.101 0.000 1.014 357 Y CA -0.091 58.081 58.100 0.120 0.000 1.111 357 Y CB 2.407 40.968 38.460 0.168 0.000 1.194 357 Y HN 0.800 nan 8.280 nan 0.000 0.462 358 G N 2.675 111.598 108.800 0.205 0.000 2.495 358 G HA2 0.592 4.550 3.960 -0.003 0.000 0.318 358 G HA3 0.592 4.550 3.960 -0.003 0.000 0.318 358 G C -1.757 173.215 174.900 0.121 0.000 1.257 358 G CA -0.950 44.232 45.100 0.137 0.000 0.962 358 G HN 0.473 nan 8.290 nan 0.000 0.483 359 K N 1.767 122.219 120.400 0.087 0.000 2.426 359 K HA 0.507 4.825 4.320 -0.003 0.000 0.254 359 K C -0.847 175.771 176.600 0.030 0.000 0.936 359 K CA -0.638 55.688 56.287 0.065 0.000 0.801 359 K CB 2.301 34.843 32.500 0.070 0.000 1.139 359 K HN 0.260 nan 8.250 nan 0.000 0.424 360 V N 6.310 126.238 119.914 0.023 0.000 2.439 360 V HA 0.152 4.270 4.120 -0.003 0.000 0.271 360 V C 0.349 176.445 176.094 0.003 0.000 1.040 360 V CA -0.244 62.059 62.300 0.004 0.000 1.002 360 V CB 0.236 32.061 31.823 0.004 0.000 1.000 360 V HN 0.661 nan 8.190 nan 0.000 0.477 361 L N 4.002 125.219 121.223 -0.010 0.000 2.400 361 L HA 0.520 4.859 4.340 -0.003 0.000 0.264 361 L C 0.946 177.809 176.870 -0.013 0.000 1.061 361 L CA -0.565 54.268 54.840 -0.011 0.000 0.799 361 L CB 1.335 43.380 42.059 -0.023 0.000 1.240 361 L HN 0.721 nan 8.230 nan 0.000 0.461 362 S N -0.179 115.515 115.700 -0.010 0.000 2.573 362 S HA 0.483 4.951 4.470 -0.003 0.000 0.277 362 S C 0.427 175.016 174.600 -0.018 0.000 1.346 362 S CA -0.077 58.117 58.200 -0.010 0.000 1.034 362 S CB 0.827 64.023 63.200 -0.007 0.000 0.879 362 S HN 1.200 nan 8.310 nan 0.000 0.528 363 G N 1.000 109.790 108.800 -0.016 0.000 2.642 363 G HA2 0.088 4.046 3.960 -0.003 0.000 0.231 363 G HA3 0.088 4.046 3.960 -0.003 0.000 0.231 363 G C -0.153 174.732 174.900 -0.025 0.000 1.338 363 G CA -0.041 45.047 45.100 -0.021 0.000 0.883 363 G HN 2.215 nan 8.290 nan 0.000 0.570 364 T N -3.448 111.087 114.554 -0.031 0.000 2.876 364 T HA 0.713 5.061 4.350 -0.003 0.000 0.289 364 T C 1.173 175.842 174.700 -0.052 0.000 1.014 364 T CA 0.800 62.879 62.100 -0.035 0.000 0.986 364 T CB 1.532 70.384 68.868 -0.026 0.000 1.021 364 T HN 2.818 nan 8.240 nan 0.000 0.458 365 G N 2.286 111.047 108.800 -0.065 0.000 2.176 365 G HA2 -0.201 3.757 3.960 -0.003 0.000 0.252 365 G HA3 -0.201 3.757 3.960 -0.003 0.000 0.252 365 G C -0.339 174.484 174.900 -0.128 0.000 1.024 365 G CA -0.301 44.739 45.100 -0.100 0.000 0.755 365 G HN 0.966 nan 8.290 nan 0.000 0.507 366 N N 0.105 118.743 118.700 -0.103 0.000 2.258 366 N HA 0.705 5.443 4.740 -0.003 0.000 0.299 366 N C -0.258 175.196 175.510 -0.093 0.000 1.047 366 N CA -0.560 52.427 53.050 -0.104 0.000 0.814 366 N CB 1.657 40.100 38.487 -0.073 0.000 1.413 366 N HN 0.182 nan 8.380 nan 0.000 0.478 367 R N 0.433 120.870 120.500 -0.106 0.000 2.698 367 R HA 0.697 5.036 4.340 -0.003 0.000 0.275 367 R C -0.928 175.340 176.300 -0.053 0.000 1.001 367 R CA -0.796 55.260 56.100 -0.074 0.000 0.896 367 R CB 1.977 32.219 30.300 -0.097 0.000 1.218 367 R HN 0.642 nan 8.270 nan 0.000 0.462 368 A N 1.442 124.255 122.820 -0.012 0.000 2.320 368 A HA 0.783 5.101 4.320 -0.003 0.000 0.334 368 A C -0.715 176.899 177.584 0.051 0.000 1.147 368 A CA -0.591 51.451 52.037 0.008 0.000 0.820 368 A CB 1.362 20.372 19.000 0.017 0.000 1.218 368 A HN 0.315 nan 8.150 nan 0.000 0.482 369 V N 1.731 121.688 119.914 0.071 0.000 2.686 369 V HA 0.437 4.555 4.120 -0.003 0.000 0.306 369 V C -0.727 175.456 176.094 0.149 0.000 1.065 369 V CA -0.515 61.860 62.300 0.126 0.000 0.894 369 V CB 1.864 33.770 31.823 0.137 0.000 1.004 369 V HN 0.685 nan 8.190 nan 0.000 0.424 370 V N 5.884 125.919 119.914 0.201 0.000 2.417 370 V HA 0.499 4.617 4.120 -0.003 0.000 0.291 370 V C -0.284 175.959 176.094 0.247 0.000 1.024 370 V CA -0.508 61.913 62.300 0.202 0.000 0.861 370 V CB 1.668 33.580 31.823 0.148 0.000 0.985 370 V HN 0.639 nan 8.190 nan 0.000 0.436 371 L N 6.016 127.359 121.223 0.199 0.000 2.272 371 L HA 0.598 4.936 4.340 -0.003 0.000 0.289 371 L C -0.674 176.292 176.870 0.160 0.000 1.032 371 L CA -0.447 54.502 54.840 0.183 0.000 0.810 371 L CB 1.408 43.566 42.059 0.165 0.000 1.205 371 L HN 0.447 nan 8.230 nan 0.000 0.422 372 L N 4.334 125.664 121.223 0.178 0.000 2.385 372 L HA 0.523 4.862 4.340 -0.003 0.000 0.273 372 L C -0.677 176.267 176.870 0.124 0.000 0.990 372 L CA -0.148 54.778 54.840 0.144 0.000 0.821 372 L CB 1.730 43.907 42.059 0.196 0.000 1.279 372 L HN 0.443 nan 8.230 nan 0.000 0.412 373 N N 4.010 122.761 118.700 0.086 0.000 2.558 373 N HA 0.337 5.075 4.740 -0.003 0.000 0.242 373 N C 0.034 175.587 175.510 0.072 0.000 0.979 373 N CA -0.275 52.827 53.050 0.086 0.000 0.931 373 N CB 0.931 39.467 38.487 0.082 0.000 1.122 373 N HN 0.680 nan 8.380 nan 0.000 0.508 374 R N 0.534 121.084 120.500 0.083 0.000 2.317 374 R HA 0.060 4.398 4.340 -0.003 0.000 0.208 374 R C 0.692 177.033 176.300 0.068 0.000 0.914 374 R CA 0.118 56.262 56.100 0.073 0.000 1.060 374 R CB 0.055 30.409 30.300 0.090 0.000 1.015 374 R HN 0.561 nan 8.270 nan 0.000 0.498 375 T N -1.977 112.627 114.554 0.085 0.000 2.824 375 T HA 0.092 4.440 4.350 -0.003 0.000 0.277 375 T C 1.286 176.030 174.700 0.073 0.000 0.975 375 T CA -0.534 61.623 62.100 0.095 0.000 0.966 375 T CB 1.616 70.582 68.868 0.162 0.000 1.054 375 T HN 0.052 nan 8.240 nan 0.000 0.533 376 S N -0.808 114.931 115.700 0.066 0.000 2.605 376 S HA 0.515 4.983 4.470 -0.003 0.000 0.217 376 S C 0.538 175.140 174.600 0.003 0.000 0.958 376 S CA -0.383 57.834 58.200 0.030 0.000 0.919 376 S CB -0.449 62.766 63.200 0.026 0.000 0.780 376 S HN 1.137 nan 8.310 nan 0.000 0.507 377 A N 0.844 123.663 122.820 -0.001 0.000 2.435 377 A HA 0.867 5.186 4.320 -0.003 0.000 0.304 377 A C -0.057 177.364 177.584 -0.272 0.000 1.064 377 A CA -0.574 51.373 52.037 -0.149 0.000 0.727 377 A CB 1.006 19.881 19.000 -0.207 0.000 1.284 377 A HN 0.683 nan 8.150 nan 0.000 0.415 378 A N 1.864 124.516 122.820 -0.279 0.000 2.511 378 A HA 0.547 4.866 4.320 -0.003 0.000 0.242 378 A C -0.032 177.287 177.584 -0.441 0.000 1.069 378 A CA 0.501 52.395 52.037 -0.238 0.000 0.763 378 A CB -0.189 18.725 19.000 -0.144 0.000 1.001 378 A HN 0.849 nan 8.150 nan 0.000 0.498 379 H N 0.540 119.608 119.070 -0.004 0.000 3.012 379 H HA 0.234 4.789 4.556 -0.003 0.000 0.367 379 H C -1.321 174.002 175.328 -0.007 0.000 1.211 379 H CA -0.838 55.207 56.048 -0.006 0.000 1.139 379 H CB 1.476 31.238 29.762 -0.001 0.000 1.838 379 H HN 0.680 nan 8.280 nan 0.000 0.550 380 D N 1.699 122.176 120.400 0.128 0.000 2.382 380 D HA 0.274 4.912 4.640 -0.003 0.000 0.245 380 D C 0.312 176.641 176.300 0.048 0.000 1.120 380 D CA 0.330 54.360 54.000 0.049 0.000 0.890 380 D CB 0.938 41.742 40.800 0.007 0.000 1.201 380 D HN 0.261 nan 8.370 nan 0.000 0.433 381 I N 1.066 121.655 120.570 0.031 0.000 2.533 381 I HA 0.220 4.388 4.170 -0.003 0.000 0.290 381 I C -0.070 176.060 176.117 0.022 0.000 1.056 381 I CA -0.619 60.702 61.300 0.035 0.000 1.057 381 I CB 2.274 40.315 38.000 0.068 0.000 1.240 381 I HN 0.035 nan 8.210 nan 0.000 0.423 382 T N 4.830 119.393 114.554 0.014 0.000 2.855 382 T HA 0.476 4.824 4.350 -0.003 0.000 0.281 382 T C -0.794 173.942 174.700 0.060 0.000 1.007 382 T CA -0.507 61.599 62.100 0.010 0.000 1.009 382 T CB 2.490 71.339 68.868 -0.031 0.000 0.983 382 T HN 0.307 nan 8.240 nan 0.000 0.455 383 V N 3.757 123.741 119.914 0.117 0.000 2.495 383 V HA 0.601 4.720 4.120 -0.003 0.000 0.298 383 V C -0.688 175.501 176.094 0.158 0.000 1.031 383 V CA -0.859 61.539 62.300 0.164 0.000 0.871 383 V CB 1.464 33.435 31.823 0.247 0.000 0.988 383 V HN 0.769 nan 8.190 nan 0.000 0.432 384 R N 4.674 125.262 120.500 0.147 0.000 2.474 384 R HA 0.330 4.668 4.340 -0.003 0.000 0.295 384 R C 0.614 177.133 176.300 0.365 0.000 0.980 384 R CA -0.357 55.814 56.100 0.118 0.000 0.934 384 R CB 1.349 31.680 30.300 0.052 0.000 1.101 384 R HN 0.887 nan 8.270 nan 0.000 0.469 385 W N 0.793 122.117 121.300 0.039 0.000 2.342 385 W HA -0.253 4.406 4.660 -0.003 0.000 0.297 385 W C 2.231 178.765 176.519 0.026 0.000 1.213 385 W CA 0.899 58.264 57.345 0.033 0.000 1.251 385 W CB -0.095 29.384 29.460 0.031 0.000 1.136 385 W HN 0.640 nan 8.180 nan 0.000 0.526 386 S N 0.073 115.928 115.700 0.258 0.000 2.383 386 S HA -0.221 4.247 4.470 -0.003 0.000 0.229 386 S C 1.259 175.930 174.600 0.118 0.000 1.030 386 S CA 1.644 59.934 58.200 0.150 0.000 1.002 386 S CB -0.703 62.556 63.200 0.099 0.000 0.829 386 S HN 0.168 nan 8.310 nan 0.000 0.467 387 D N 1.709 122.182 120.400 0.121 0.000 2.178 387 D HA 0.064 4.702 4.640 -0.003 0.000 0.202 387 D C 1.740 178.089 176.300 0.083 0.000 0.974 387 D CA 0.747 54.799 54.000 0.087 0.000 0.841 387 D CB -0.260 40.585 40.800 0.076 0.000 0.953 387 D HN 0.411 nan 8.370 nan 0.000 0.478 388 L N -0.425 120.864 121.223 0.111 0.000 2.554 388 L HA 0.126 4.464 4.340 -0.003 0.000 0.226 388 L C 1.327 178.221 176.870 0.040 0.000 1.137 388 L CA 0.389 55.273 54.840 0.072 0.000 0.863 388 L CB -0.088 42.011 42.059 0.066 0.000 0.985 388 L HN 0.092 nan 8.230 nan 0.000 0.451 389 G N 0.580 109.413 108.800 0.055 0.000 2.149 389 G HA2 -0.247 3.711 3.960 -0.003 0.000 0.235 389 G HA3 -0.247 3.711 3.960 -0.003 0.000 0.235 389 G C -0.022 174.892 174.900 0.024 0.000 1.018 389 G CA -0.122 45.000 45.100 0.037 0.000 0.728 389 G HN 0.221 nan 8.290 nan 0.000 0.508 390 L N 0.526 121.772 121.223 0.038 0.000 2.334 390 L HA 0.743 5.081 4.340 -0.003 0.000 0.270 390 L C 1.344 178.269 176.870 0.092 0.000 1.018 390 L CA -0.544 54.304 54.840 0.015 0.000 0.811 390 L CB 1.669 43.667 42.059 -0.102 0.000 1.271 390 L HN 0.349 nan 8.230 nan 0.000 0.443 391 T N -2.698 111.904 114.554 0.080 0.000 2.816 391 T HA 0.150 4.499 4.350 -0.003 0.000 0.282 391 T C 0.296 175.122 174.700 0.209 0.000 0.993 391 T CA -0.692 61.477 62.100 0.115 0.000 0.994 391 T CB 0.309 69.223 68.868 0.077 0.000 1.025 391 T HN 0.559 nan 8.240 nan 0.000 0.529 392 N N 1.190 120.000 118.700 0.183 0.000 3.103 392 N HA 0.428 5.166 4.740 -0.003 0.000 0.305 392 N C -0.332 175.296 175.510 0.196 0.000 1.232 392 N CA -0.610 52.566 53.050 0.209 0.000 1.190 392 N CB -0.077 38.471 38.487 0.101 0.000 1.461 392 N HN 0.755 nan 8.380 nan 0.000 0.538 393 A N 0.186 123.162 122.820 0.259 0.000 2.384 393 A HA 0.540 4.859 4.320 -0.003 0.000 0.312 393 A C 0.164 177.906 177.584 0.264 0.000 1.113 393 A CA -0.680 51.468 52.037 0.186 0.000 0.779 393 A CB 1.115 20.177 19.000 0.104 0.000 1.307 393 A HN 0.257 nan 8.150 nan 0.000 0.436 394 S N 0.002 115.816 115.700 0.191 0.000 2.558 394 S HA 0.441 4.910 4.470 -0.003 0.000 0.293 394 S C 0.307 175.007 174.600 0.167 0.000 1.292 394 S CA 0.631 58.959 58.200 0.212 0.000 1.063 394 S CB 0.328 63.603 63.200 0.124 0.000 0.831 394 S HN 1.538 nan 8.310 nan 0.000 0.499 395 A N 3.005 125.963 122.820 0.230 0.000 2.587 395 A HA 0.733 5.052 4.320 -0.003 0.000 0.293 395 A C -0.454 177.193 177.584 0.105 0.000 1.087 395 A CA -0.818 51.236 52.037 0.027 0.000 0.692 395 A CB 1.449 20.228 19.000 -0.368 0.000 1.291 395 A HN 0.579 nan 8.150 nan 0.000 0.407 396 T N 1.184 115.737 114.554 -0.001 0.000 2.794 396 T HA 0.531 4.880 4.350 -0.003 0.000 0.280 396 T C -0.375 174.304 174.700 -0.035 0.000 0.987 396 T CA -0.253 61.855 62.100 0.013 0.000 0.993 396 T CB 1.101 69.963 68.868 -0.011 0.000 0.939 396 T HN 0.524 nan 8.240 nan 0.000 0.449 397 V N 4.322 124.216 119.914 -0.033 0.000 2.439 397 V HA 0.558 4.676 4.120 -0.003 0.000 0.282 397 V C 0.311 176.311 176.094 -0.158 0.000 1.039 397 V CA -0.748 61.460 62.300 -0.153 0.000 0.913 397 V CB 1.317 32.910 31.823 -0.383 0.000 0.983 397 V HN 0.701 nan 8.190 nan 0.000 0.460 398 R N 2.590 123.001 120.500 -0.148 0.000 2.621 398 R HA 0.372 4.710 4.340 -0.003 0.000 0.292 398 R C -1.313 174.930 176.300 -0.094 0.000 0.969 398 R CA -0.651 55.387 56.100 -0.103 0.000 0.887 398 R CB 1.650 31.901 30.300 -0.081 0.000 1.180 398 R HN 0.779 nan 8.270 nan 0.000 0.450 399 D N 5.132 125.500 120.400 -0.053 0.000 2.313 399 D HA 0.112 4.751 4.640 -0.003 0.000 0.239 399 D C 0.956 177.239 176.300 -0.029 0.000 1.142 399 D CA -0.216 53.783 54.000 -0.002 0.000 0.847 399 D CB 1.275 42.110 40.800 0.058 0.000 1.082 399 D HN 0.586 nan 8.370 nan 0.000 0.480 400 L N 2.750 123.921 121.223 -0.087 0.000 2.478 400 L HA 0.034 4.372 4.340 -0.003 0.000 0.223 400 L C 1.323 177.945 176.870 -0.412 0.000 1.140 400 L CA 0.220 54.903 54.840 -0.261 0.000 0.842 400 L CB 0.003 41.852 42.059 -0.351 0.000 0.953 400 L HN 0.485 nan 8.230 nan 0.000 0.452 401 W N -0.456 120.849 121.300 0.008 0.000 2.574 401 W HA 0.137 4.796 4.660 -0.002 0.000 0.282 401 W C 2.599 179.123 176.519 0.007 0.000 1.197 401 W CA 0.482 57.831 57.345 0.008 0.000 1.376 401 W CB -0.090 29.376 29.460 0.009 0.000 1.091 401 W HN -0.054 nan 8.180 nan 0.000 0.569 402 A N 0.717 123.653 122.820 0.194 0.000 2.067 402 A HA -0.085 4.233 4.320 -0.003 0.000 0.219 402 A C 1.072 178.689 177.584 0.055 0.000 1.158 402 A CA 0.812 52.916 52.037 0.112 0.000 0.661 402 A CB -0.534 18.521 19.000 0.091 0.000 0.801 402 A HN 0.294 nan 8.150 nan 0.000 0.452 403 R N -0.718 119.789 120.500 0.013 0.000 3.333 403 R HA -0.182 4.156 4.340 -0.003 0.000 0.256 403 R C -0.212 176.080 176.300 -0.014 0.000 1.010 403 R CA 1.310 57.393 56.100 -0.028 0.000 0.680 403 R CB -2.663 27.619 30.300 -0.031 0.000 1.102 403 R HN 0.988 nan 8.270 nan 0.000 0.440 404 Q N -0.470 119.325 119.800 -0.008 0.000 2.391 404 Q HA 0.389 4.727 4.340 -0.003 0.000 0.279 404 Q C -1.228 174.766 176.000 -0.010 0.000 1.028 404 Q CA -1.079 54.723 55.803 -0.003 0.000 0.836 404 Q CB 1.517 30.265 28.738 0.015 0.000 1.414 404 Q HN -0.013 nan 8.270 nan 0.000 0.397 405 N N 1.074 119.767 118.700 -0.012 0.000 2.492 405 N HA 0.140 4.878 4.740 -0.003 0.000 0.262 405 N C 0.467 175.979 175.510 0.003 0.000 1.202 405 N CA 0.205 53.245 53.050 -0.017 0.000 0.926 405 N CB 1.552 40.032 38.487 -0.011 0.000 1.078 405 N HN 0.589 nan 8.380 nan 0.000 0.454 406 V N -1.796 118.114 119.914 -0.007 0.000 3.330 406 V HA 0.669 4.787 4.120 -0.003 0.000 0.309 406 V C 0.604 176.756 176.094 0.097 0.000 1.481 406 V CA 0.128 62.455 62.300 0.045 0.000 1.068 406 V CB -0.083 31.777 31.823 0.062 0.000 0.935 406 V HN 0.729 nan 8.190 nan 0.000 0.453 407 G N 0.287 109.125 108.800 0.064 0.000 2.350 407 G HA2 0.461 4.419 3.960 -0.003 0.000 0.304 407 G HA3 0.461 4.419 3.960 -0.003 0.000 0.304 407 G C -0.685 174.282 174.900 0.111 0.000 1.421 407 G CA 0.122 45.294 45.100 0.119 0.000 0.934 407 G HN 0.977 nan 8.290 nan 0.000 0.632 408 T N -2.247 112.389 114.554 0.136 0.000 2.908 408 T HA 0.879 5.227 4.350 -0.003 0.000 0.290 408 T C -0.253 174.565 174.700 0.197 0.000 1.034 408 T CA -0.145 62.056 62.100 0.169 0.000 1.010 408 T CB 2.067 71.009 68.868 0.123 0.000 1.068 408 T HN 1.910 nan 8.240 nan 0.000 0.481 409 S N -0.615 115.259 115.700 0.290 0.000 2.550 409 S HA 0.650 5.119 4.470 -0.003 0.000 0.270 409 S C 0.215 174.984 174.600 0.283 0.000 1.145 409 S CA -0.199 58.093 58.200 0.154 0.000 0.852 409 S CB 1.267 64.409 63.200 -0.095 0.000 1.119 409 S HN 1.308 nan 8.310 nan 0.000 0.465 410 A N 1.557 124.429 122.820 0.086 0.000 2.345 410 A HA 0.331 4.649 4.320 -0.003 0.000 0.225 410 A C 1.337 178.837 177.584 -0.141 0.000 1.243 410 A CA 1.007 53.141 52.037 0.161 0.000 0.875 410 A CB -0.522 18.544 19.000 0.108 0.000 0.929 410 A HN 1.102 nan 8.150 nan 0.000 0.502 411 T N -5.849 108.309 114.554 -0.660 0.000 3.048 411 T HA 0.530 4.878 4.350 -0.003 0.000 0.254 411 T C 0.789 174.736 174.700 -1.255 0.000 0.942 411 T CA 0.922 62.571 62.100 -0.750 0.000 0.931 411 T CB 0.522 69.188 68.868 -0.337 0.000 1.220 411 T HN 1.396 nan 8.240 nan 0.000 0.503 412 G N 0.008 107.848 108.800 -1.600 0.000 2.317 412 G HA2 0.440 4.398 3.960 -0.003 0.000 0.293 412 G HA3 0.440 4.398 3.960 -0.003 0.000 0.293 412 G C -2.548 171.974 174.900 -0.629 0.000 1.287 412 G CA -0.690 43.614 45.100 -1.327 0.000 0.850 412 G HN 0.424 nan 8.290 nan 0.000 0.515 413 Y N -0.234 119.882 120.300 -0.307 0.000 2.513 413 Y HA 0.687 5.236 4.550 -0.003 0.000 0.340 413 Y C -0.737 175.154 175.900 -0.015 0.000 1.055 413 Y CA -0.463 57.592 58.100 -0.076 0.000 1.020 413 Y CB 2.432 40.959 38.460 0.111 0.000 1.301 413 Y HN 0.697 nan 8.280 nan 0.000 0.453 414 T N 4.491 118.643 114.554 -0.671 0.000 2.848 414 T HA 0.877 5.225 4.350 -0.003 0.000 0.285 414 T C -1.131 173.210 174.700 -0.599 0.000 0.995 414 T CA -0.473 61.368 62.100 -0.431 0.000 0.970 414 T CB 1.244 69.952 68.868 -0.267 0.000 0.976 414 T HN 0.798 nan 8.240 nan 0.000 0.441 415 A N 1.844 124.531 122.820 -0.222 0.000 2.454 415 A HA 0.833 5.152 4.320 -0.003 0.000 0.302 415 A C 0.010 177.586 177.584 -0.012 0.000 1.079 415 A CA -0.803 51.184 52.037 -0.083 0.000 0.731 415 A CB 1.663 20.749 19.000 0.143 0.000 1.299 415 A HN 0.675 nan 8.150 nan 0.000 0.413 416 S N 0.420 116.120 115.700 -0.001 0.000 2.528 416 S HA 0.492 4.960 4.470 -0.003 0.000 0.277 416 S C -0.455 174.164 174.600 0.033 0.000 1.297 416 S CA -0.199 58.008 58.200 0.012 0.000 1.052 416 S CB -0.115 63.084 63.200 -0.002 0.000 0.917 416 S HN 0.888 nan 8.310 nan 0.000 0.492 417 V N 8.195 128.132 119.914 0.038 0.000 2.487 417 V HA 0.442 4.560 4.120 -0.003 0.000 0.298 417 V C -2.292 173.811 176.094 0.014 0.000 1.028 417 V CA -2.033 60.291 62.300 0.040 0.000 0.860 417 V CB 1.589 33.452 31.823 0.066 0.000 0.991 417 V HN 0.729 nan 8.190 nan 0.000 0.427 418 P HA 0.180 nan 4.420 nan 0.000 0.269 418 P C -0.190 177.095 177.300 -0.024 0.000 1.215 418 P CA -0.069 63.012 63.100 -0.032 0.000 0.780 418 P CB 0.489 32.162 31.700 -0.045 0.000 0.898 419 A N 2.541 125.339 122.820 -0.037 0.000 2.566 419 A HA 0.352 4.670 4.320 -0.003 0.000 0.245 419 A C 1.626 179.193 177.584 -0.028 0.000 1.056 419 A CA 0.850 52.875 52.037 -0.020 0.000 0.757 419 A CB -1.664 17.317 19.000 -0.032 0.000 0.979 419 A HN 0.900 nan 8.150 nan 0.000 0.508 420 G N 1.702 110.494 108.800 -0.012 0.000 2.189 420 G HA2 -0.053 3.905 3.960 -0.003 0.000 0.267 420 G HA3 -0.053 3.905 3.960 -0.003 0.000 0.267 420 G C 0.944 175.807 174.900 -0.061 0.000 0.975 420 G CA 0.895 45.973 45.100 -0.037 0.000 0.644 420 G HN 1.929 nan 8.290 nan 0.000 0.537 421 G N -0.840 107.933 108.800 -0.046 0.000 2.557 421 G HA2 0.874 4.832 3.960 -0.003 0.000 0.302 421 G HA3 0.874 4.832 3.960 -0.003 0.000 0.302 421 G C 0.024 174.911 174.900 -0.022 0.000 1.311 421 G CA 0.639 45.704 45.100 -0.058 0.000 1.030 421 G HN 1.767 nan 8.290 nan 0.000 0.509 422 S N -2.489 113.200 115.700 -0.018 0.000 2.565 422 S HA 0.655 5.123 4.470 -0.003 0.000 0.269 422 S C -1.533 173.106 174.600 0.064 0.000 1.153 422 S CA -0.701 57.517 58.200 0.031 0.000 0.835 422 S CB 1.882 65.093 63.200 0.018 0.000 1.122 422 S HN 0.807 nan 8.310 nan 0.000 0.462 423 V N 2.015 122.001 119.914 0.121 0.000 2.656 423 V HA 0.700 4.819 4.120 -0.003 0.000 0.307 423 V C -0.762 175.451 176.094 0.199 0.000 1.051 423 V CA -0.569 61.834 62.300 0.172 0.000 0.893 423 V CB 1.797 33.724 31.823 0.173 0.000 0.999 423 V HN 1.012 nan 8.190 nan 0.000 0.426 424 M N 6.424 126.174 119.600 0.250 0.000 2.114 424 M HA 0.700 5.179 4.480 -0.003 0.000 0.332 424 M C -1.665 174.694 176.300 0.097 0.000 1.014 424 M CA 0.210 55.623 55.300 0.190 0.000 0.956 424 M CB 0.846 33.597 32.600 0.253 0.000 1.551 424 M HN 0.530 nan 8.290 nan 0.000 0.427 425 L N 3.038 124.298 121.223 0.062 0.000 2.309 425 L HA 0.840 5.178 4.340 -0.003 0.000 0.261 425 L C -0.159 176.696 176.870 -0.026 0.000 1.021 425 L CA -1.007 53.833 54.840 0.000 0.000 0.823 425 L CB 2.530 44.586 42.059 -0.005 0.000 1.366 425 L HN 0.740 nan 8.230 nan 0.000 0.423 426 T N -1.617 112.897 114.554 -0.065 0.000 2.912 426 T HA 0.752 5.100 4.350 -0.003 0.000 0.288 426 T C -0.683 173.951 174.700 -0.109 0.000 1.030 426 T CA -0.772 61.283 62.100 -0.076 0.000 1.020 426 T CB 2.054 70.873 68.868 -0.082 0.000 1.056 426 T HN 0.222 nan 8.240 nan 0.000 0.480 427 V N 2.881 122.708 119.914 -0.145 0.000 2.376 427 V HA 0.691 4.810 4.120 -0.003 0.000 0.287 427 V C 0.304 176.252 176.094 -0.243 0.000 1.015 427 V CA -0.580 61.571 62.300 -0.248 0.000 0.834 427 V CB 1.070 32.637 31.823 -0.427 0.000 1.001 427 V HN 1.332 nan 8.190 nan 0.000 0.428 428 T N 0.168 114.602 114.554 -0.200 0.000 2.887 428 T HA 0.726 5.074 4.350 -0.003 0.000 0.292 428 T C 0.809 175.425 174.700 -0.140 0.000 1.087 428 T CA -0.013 61.995 62.100 -0.154 0.000 1.009 428 T CB 1.863 70.670 68.868 -0.103 0.000 1.203 428 T HN 1.752 nan 8.240 nan 0.000 0.518 429 G N -0.195 108.539 108.800 -0.109 0.000 2.155 429 G HA2 -0.026 3.932 3.960 -0.003 0.000 0.257 429 G HA3 -0.026 3.932 3.960 -0.003 0.000 0.257 429 G C 0.590 175.432 174.900 -0.097 0.000 0.983 429 G CA 0.293 45.344 45.100 -0.081 0.000 0.676 429 G HN 1.334 nan 8.290 nan 0.000 0.528 430 G N -1.155 107.548 108.800 -0.162 0.000 2.621 430 G HA2 0.548 4.506 3.960 -0.003 0.000 0.271 430 G HA3 0.548 4.506 3.960 -0.003 0.000 0.271 430 G C 0.005 174.841 174.900 -0.106 0.000 1.236 430 G CA 0.566 45.553 45.100 -0.188 0.000 0.958 430 G HN 0.609 nan 8.290 nan 0.000 0.512 431 T N 1.397 115.904 114.554 -0.078 0.000 2.771 431 T HA 0.322 4.670 4.350 -0.003 0.000 0.281 431 T C -0.194 174.485 174.700 -0.035 0.000 0.982 431 T CA -0.440 61.638 62.100 -0.035 0.000 0.978 431 T CB 1.480 70.348 68.868 0.000 0.000 0.930 431 T HN 0.392 nan 8.240 nan 0.000 0.447 432 E N 1.882 122.064 120.200 -0.030 0.000 2.392 432 E HA 0.349 4.697 4.350 -0.003 0.000 0.264 432 E C 0.423 177.023 176.600 0.000 0.000 1.024 432 E CA -0.236 56.152 56.400 -0.020 0.000 0.903 432 E CB 0.782 30.471 29.700 -0.018 0.000 0.963 432 E HN 0.781 nan 8.360 nan 0.000 0.432 433 A N 2.056 124.882 122.820 0.010 0.000 2.507 433 A HA 0.311 4.630 4.320 -0.003 0.000 0.235 433 A C 0.346 177.939 177.584 0.016 0.000 1.070 433 A CA 0.326 52.376 52.037 0.022 0.000 0.768 433 A CB 0.166 19.183 19.000 0.030 0.000 1.011 433 A HN 0.645 nan 8.150 nan 0.000 0.502 434 A N 1.182 124.013 122.820 0.018 0.000 2.511 434 A HA 0.497 4.815 4.320 -0.003 0.000 0.242 434 A C 0.909 178.501 177.584 0.013 0.000 1.069 434 A CA 0.427 52.471 52.037 0.011 0.000 0.763 434 A CB -0.461 18.545 19.000 0.011 0.000 1.001 434 A HN 1.710 nan 8.150 nan 0.000 0.498 435 G N 0.613 109.416 108.800 0.004 0.000 2.511 435 G HA2 0.565 4.524 3.960 -0.003 0.000 0.316 435 G HA3 0.565 4.524 3.960 -0.003 0.000 0.316 435 G C 0.230 175.125 174.900 -0.008 0.000 1.210 435 G CA -0.118 44.989 45.100 0.011 0.000 0.969 435 G HN 1.180 nan 8.290 nan 0.000 0.492 436 G N -1.393 107.414 108.800 0.012 0.000 2.389 436 G HA2 0.699 4.657 3.960 -0.003 0.000 0.328 436 G HA3 0.699 4.657 3.960 -0.003 0.000 0.328 436 G C -0.534 174.247 174.900 -0.199 0.000 1.133 436 G CA 0.171 45.197 45.100 -0.123 0.000 0.891 436 G HN 1.058 nan 8.290 nan 0.000 0.485 437 A N 0.931 123.495 122.820 -0.427 0.000 2.355 437 A HA 0.837 5.155 4.320 -0.003 0.000 0.317 437 A C -1.586 175.689 177.584 -0.515 0.000 1.094 437 A CA -0.621 51.246 52.037 -0.283 0.000 0.764 437 A CB 1.090 20.015 19.000 -0.124 0.000 1.230 437 A HN 0.659 nan 8.150 nan 0.000 0.448 438 Y N 0.173 120.524 120.300 0.085 0.000 2.512 438 Y HA 0.650 5.198 4.550 -0.003 0.000 0.348 438 Y C 0.401 176.465 175.900 0.274 0.000 0.990 438 Y CA -0.488 57.712 58.100 0.166 0.000 1.033 438 Y CB 2.433 41.023 38.460 0.215 0.000 1.259 438 Y HN 0.894 nan 8.280 nan 0.000 0.461 439 A N 1.432 124.470 122.820 0.362 0.000 2.337 439 A HA 0.825 5.143 4.320 -0.003 0.000 0.329 439 A C -0.394 177.211 177.584 0.035 0.000 1.146 439 A CA -0.607 51.578 52.037 0.247 0.000 0.800 439 A CB 0.478 19.546 19.000 0.112 0.000 1.220 439 A HN 0.957 nan 8.150 nan 0.000 0.472 440 A N 1.466 124.067 122.820 -0.364 0.000 2.567 440 A HA 0.390 4.708 4.320 -0.003 0.000 0.240 440 A C 1.358 178.774 177.584 -0.280 0.000 1.053 440 A CA 0.745 52.342 52.037 -0.733 0.000 0.755 440 A CB -0.350 18.198 19.000 -0.752 0.000 0.978 440 A HN 1.567 nan 8.150 nan 0.000 0.507 441 T N -0.577 113.849 114.554 -0.214 0.000 3.057 441 T HA 0.292 4.640 4.350 -0.003 0.000 0.254 441 T C 0.717 175.361 174.700 -0.093 0.000 1.094 441 T CA 0.703 62.745 62.100 -0.097 0.000 1.088 441 T CB -0.444 68.399 68.868 -0.042 0.000 0.934 441 T HN 1.397 nan 8.240 nan 0.000 0.497 442 S N -0.028 115.594 115.700 -0.129 0.000 2.705 442 S HA 0.474 4.942 4.470 -0.003 0.000 0.280 442 S C -0.662 173.864 174.600 -0.122 0.000 1.174 442 S CA -0.903 57.239 58.200 -0.097 0.000 0.823 442 S CB 0.865 64.028 63.200 -0.063 0.000 1.162 442 S HN 0.056 nan 8.310 nan 0.000 0.487 443 T N 1.910 116.415 114.554 -0.082 0.000 2.738 443 T HA 0.425 4.774 4.350 -0.003 0.000 0.277 443 T C 1.413 176.070 174.700 -0.072 0.000 0.981 443 T CA 1.301 63.357 62.100 -0.073 0.000 1.211 443 T CB -0.771 68.071 68.868 -0.044 0.000 0.932 443 T HN 1.885 nan 8.240 nan 0.000 0.522 444 G N 3.444 112.190 108.800 -0.090 0.000 2.153 444 G HA2 -0.289 3.669 3.960 -0.003 0.000 0.252 444 G HA3 -0.289 3.669 3.960 -0.003 0.000 0.252 444 G C 0.127 175.017 174.900 -0.016 0.000 0.994 444 G CA 0.324 45.408 45.100 -0.027 0.000 0.698 444 G HN 0.822 nan 8.290 nan 0.000 0.521 445 R N -0.467 119.944 120.500 -0.149 0.000 2.476 445 R HA 0.611 4.950 4.340 -0.003 0.000 0.305 445 R C -1.106 175.051 176.300 -0.239 0.000 0.965 445 R CA -0.840 55.207 56.100 -0.088 0.000 0.867 445 R CB 0.766 31.032 30.300 -0.057 0.000 1.176 445 R HN 0.108 nan 8.270 nan 0.000 0.447 446 Y N 2.528 122.817 120.300 -0.018 0.000 2.331 446 Y HA 0.313 4.861 4.550 -0.003 0.000 0.338 446 Y C 0.563 176.415 175.900 -0.080 0.000 0.976 446 Y CA -0.301 57.777 58.100 -0.036 0.000 1.137 446 Y CB 2.159 40.588 38.460 -0.051 0.000 1.172 446 Y HN 0.578 nan 8.280 nan 0.000 0.478 447 T N -1.706 112.868 114.554 0.034 0.000 2.926 447 T HA 0.617 4.965 4.350 -0.003 0.000 0.289 447 T C 0.765 175.453 174.700 -0.019 0.000 1.054 447 T CA -0.569 61.528 62.100 -0.006 0.000 1.015 447 T CB 1.612 70.482 68.868 0.004 0.000 1.167 447 T HN 1.125 nan 8.240 nan 0.000 0.526 448 G N 0.066 108.856 108.800 -0.018 0.000 2.198 448 G HA2 -0.194 3.764 3.960 -0.003 0.000 0.260 448 G HA3 -0.194 3.764 3.960 -0.003 0.000 0.260 448 G C 0.041 174.918 174.900 -0.039 0.000 1.025 448 G CA 0.026 45.138 45.100 0.019 0.000 0.769 448 G HN 1.126 nan 8.290 nan 0.000 0.507 449 V N 0.973 120.742 119.914 -0.241 0.000 2.555 449 V HA 0.472 4.591 4.120 -0.003 0.000 0.286 449 V C 0.935 176.963 176.094 -0.110 0.000 1.044 449 V CA 0.564 62.574 62.300 -0.483 0.000 1.026 449 V CB 1.355 32.841 31.823 -0.561 0.000 0.981 449 V HN 0.346 nan 8.190 nan 0.000 0.480 450 T N 4.437 119.032 114.554 0.068 0.000 2.824 450 T HA 0.731 5.079 4.350 -0.003 0.000 0.280 450 T C -0.110 174.643 174.700 0.088 0.000 0.995 450 T CA -0.301 61.864 62.100 0.109 0.000 1.009 450 T CB 1.612 70.581 68.868 0.169 0.000 0.955 450 T HN 0.940 nan 8.240 nan 0.000 0.452 451 A N 1.317 124.172 122.820 0.058 0.000 2.359 451 A HA 0.761 5.079 4.320 -0.003 0.000 0.303 451 A C 1.054 178.666 177.584 0.048 0.000 1.066 451 A CA -0.553 51.514 52.037 0.050 0.000 0.730 451 A CB 1.005 20.025 19.000 0.032 0.000 1.211 451 A HN 0.923 nan 8.150 nan 0.000 0.439 452 A N 1.339 124.188 122.820 0.048 0.000 2.070 452 A HA 0.323 4.641 4.320 -0.003 0.000 0.220 452 A C 1.233 178.842 177.584 0.041 0.000 1.159 452 A CA 1.883 53.946 52.037 0.044 0.000 0.656 452 A CB -0.171 18.855 19.000 0.043 0.000 0.800 452 A HN 1.602 nan 8.150 nan 0.000 0.453 453 S N -2.218 113.505 115.700 0.039 0.000 2.556 453 S HA 0.475 4.944 4.470 -0.003 0.000 0.271 453 S C -0.366 174.253 174.600 0.032 0.000 1.135 453 S CA -0.423 57.799 58.200 0.037 0.000 0.858 453 S CB 1.187 64.410 63.200 0.037 0.000 1.114 453 S HN 0.203 nan 8.310 nan 0.000 0.468 454 T N 2.985 117.559 114.554 0.032 0.000 2.934 454 T HA 0.556 4.904 4.350 -0.003 0.000 0.306 454 T C 0.644 175.351 174.700 0.011 0.000 1.042 454 T CA 1.012 63.125 62.100 0.023 0.000 1.145 454 T CB 0.129 69.014 68.868 0.029 0.000 0.982 454 T HN 1.277 nan 8.240 nan 0.000 0.544 455 G N 1.641 110.440 108.800 -0.001 0.000 2.352 455 G HA2 0.299 4.257 3.960 -0.003 0.000 0.283 455 G HA3 0.299 4.257 3.960 -0.003 0.000 0.283 455 G C -1.913 172.982 174.900 -0.008 0.000 1.308 455 G CA -1.104 43.989 45.100 -0.010 0.000 0.892 455 G HN 0.718 nan 8.290 nan 0.000 0.504 456 L N 1.346 122.564 121.223 -0.008 0.000 2.350 456 L HA 0.641 4.979 4.340 -0.003 0.000 0.275 456 L C 0.105 176.977 176.870 0.003 0.000 1.099 456 L CA -0.468 54.369 54.840 -0.006 0.000 0.808 456 L CB 0.932 42.986 42.059 -0.007 0.000 1.149 456 L HN 0.600 nan 8.230 nan 0.000 0.442 457 N N 2.637 121.337 118.700 0.001 0.000 2.284 457 N HA 0.434 5.172 4.740 -0.003 0.000 0.289 457 N C -1.616 173.893 175.510 -0.002 0.000 1.179 457 N CA -0.577 52.476 53.050 0.005 0.000 0.774 457 N CB 2.493 40.983 38.487 0.005 0.000 1.548 457 N HN 0.224 nan 8.380 nan 0.000 0.473 458 V N 1.929 121.844 119.914 0.002 0.000 2.383 458 V HA 0.314 4.432 4.120 -0.003 0.000 0.275 458 V C 0.027 176.116 176.094 -0.009 0.000 1.036 458 V CA -0.571 61.726 62.300 -0.005 0.000 0.889 458 V CB 1.431 33.254 31.823 -0.000 0.000 0.985 458 V HN 0.325 nan 8.190 nan 0.000 0.459 459 V N 4.493 124.390 119.914 -0.029 0.000 2.384 459 V HA 0.418 4.537 4.120 -0.003 0.000 0.287 459 V C -0.496 175.575 176.094 -0.039 0.000 1.020 459 V CA -0.757 61.519 62.300 -0.040 0.000 0.850 459 V CB 1.730 33.507 31.823 -0.076 0.000 0.987 459 V HN 0.807 nan 8.190 nan 0.000 0.436 460 D N 4.117 124.506 120.400 -0.018 0.000 2.274 460 D HA 0.378 5.016 4.640 -0.003 0.000 0.239 460 D C -0.401 175.906 176.300 0.012 0.000 1.104 460 D CA -0.132 53.870 54.000 0.002 0.000 0.840 460 D CB 2.273 43.083 40.800 0.017 0.000 1.100 460 D HN 0.244 nan 8.370 nan 0.000 0.477 461 V N 1.841 121.785 119.914 0.050 0.000 2.350 461 V HA 0.498 4.616 4.120 -0.003 0.000 0.276 461 V C 0.536 176.792 176.094 0.270 0.000 1.028 461 V CA -0.886 61.477 62.300 0.106 0.000 0.860 461 V CB 1.199 33.112 31.823 0.150 0.000 0.990 461 V HN 0.644 nan 8.190 nan 0.000 0.453 462 A N 5.952 128.900 122.820 0.215 0.000 2.363 462 A HA 0.839 5.157 4.320 -0.003 0.000 0.270 462 A C -0.676 177.101 177.584 0.322 0.000 1.121 462 A CA -0.155 52.016 52.037 0.222 0.000 0.800 462 A CB 0.341 19.408 19.000 0.112 0.000 1.052 462 A HN 1.303 nan 8.150 nan 0.000 0.493 463 Y N -1.339 119.011 120.300 0.084 0.000 2.741 463 Y HA 0.704 5.252 4.550 -0.003 0.000 0.339 463 Y C -0.785 175.136 175.900 0.035 0.000 1.226 463 Y CA -1.004 57.119 58.100 0.038 0.000 1.072 463 Y CB 0.586 39.042 38.460 -0.007 0.000 1.331 463 Y HN 0.456 nan 8.280 nan 0.000 0.453 464 T N 2.881 117.405 114.554 -0.050 0.000 2.848 464 T HA 0.389 4.737 4.350 -0.003 0.000 0.285 464 T C -1.474 173.281 174.700 0.091 0.000 0.995 464 T CA -0.687 61.347 62.100 -0.110 0.000 0.970 464 T CB 0.990 69.829 68.868 -0.048 0.000 0.976 464 T HN 0.690 nan 8.240 nan 0.000 0.441 465 N N 2.627 121.382 118.700 0.091 0.000 2.762 465 N HA 0.166 4.904 4.740 -0.003 0.000 0.252 465 N C -0.689 174.872 175.510 0.086 0.000 1.269 465 N CA -0.508 52.642 53.050 0.166 0.000 0.799 465 N CB 0.464 39.154 38.487 0.338 0.000 1.173 465 N HN 0.367 nan 8.380 nan 0.000 0.516 466 N N 1.627 120.355 118.700 0.046 0.000 2.843 466 N HA 0.081 4.819 4.740 -0.003 0.000 0.284 466 N C -0.641 174.890 175.510 0.034 0.000 1.274 466 N CA 0.070 53.137 53.050 0.028 0.000 1.045 466 N CB -0.033 38.461 38.487 0.012 0.000 1.370 466 N HN 0.622 nan 8.380 nan 0.000 0.525 467 T N -4.302 110.281 114.554 0.049 0.000 2.742 467 T HA 0.345 4.693 4.350 -0.003 0.000 0.282 467 T C 0.958 175.687 174.700 0.049 0.000 1.025 467 T CA -0.392 61.735 62.100 0.044 0.000 1.020 467 T CB 0.713 69.609 68.868 0.047 0.000 1.317 467 T HN 0.024 nan 8.240 nan 0.000 0.538 468 S N -0.509 115.217 115.700 0.043 0.000 2.575 468 S HA 0.341 4.809 4.470 -0.003 0.000 0.215 468 S C 0.363 174.994 174.600 0.051 0.000 0.966 468 S CA -0.468 57.758 58.200 0.042 0.000 0.911 468 S CB -0.309 62.910 63.200 0.033 0.000 0.780 468 S HN 0.637 nan 8.310 nan 0.000 0.514 469 S N 1.251 116.987 115.700 0.060 0.000 2.536 469 S HA 0.780 5.249 4.470 -0.003 0.000 0.287 469 S C -0.122 174.529 174.600 0.086 0.000 1.101 469 S CA -0.701 57.539 58.200 0.066 0.000 0.950 469 S CB 1.677 64.911 63.200 0.057 0.000 1.056 469 S HN 0.619 nan 8.310 nan 0.000 0.481 470 A N 2.731 125.605 122.820 0.090 0.000 2.466 470 A HA 0.476 4.794 4.320 -0.003 0.000 0.238 470 A C 0.302 177.956 177.584 0.116 0.000 1.074 470 A CA 0.192 52.296 52.037 0.112 0.000 0.774 470 A CB 0.161 19.213 19.000 0.087 0.000 1.015 470 A HN 0.791 nan 8.150 nan 0.000 0.498 471 R N -0.418 120.172 120.500 0.151 0.000 2.854 471 R HA 0.650 4.989 4.340 -0.003 0.000 0.271 471 R C -0.433 176.000 176.300 0.222 0.000 0.996 471 R CA -0.325 55.857 56.100 0.138 0.000 0.961 471 R CB 2.076 32.423 30.300 0.078 0.000 1.182 471 R HN 0.855 nan 8.270 nan 0.000 0.479 472 T N -1.572 113.094 114.554 0.186 0.000 2.912 472 T HA 0.845 5.193 4.350 -0.003 0.000 0.288 472 T C -0.500 174.326 174.700 0.209 0.000 1.030 472 T CA -0.842 61.400 62.100 0.237 0.000 1.020 472 T CB 2.039 71.012 68.868 0.175 0.000 1.056 472 T HN 0.638 nan 8.240 nan 0.000 0.480 473 A N 1.150 124.136 122.820 0.277 0.000 2.479 473 A HA 0.793 5.111 4.320 -0.003 0.000 0.296 473 A C -0.123 177.541 177.584 0.133 0.000 1.121 473 A CA -0.974 51.172 52.037 0.182 0.000 0.743 473 A CB 1.414 20.540 19.000 0.210 0.000 1.323 473 A HN 0.840 nan 8.150 nan 0.000 0.415 474 T N 1.434 116.034 114.554 0.077 0.000 2.767 474 T HA 0.484 4.832 4.350 -0.003 0.000 0.288 474 T C -0.598 174.129 174.700 0.045 0.000 0.963 474 T CA 0.047 62.173 62.100 0.043 0.000 1.019 474 T CB 0.516 69.396 68.868 0.020 0.000 0.923 474 T HN 0.625 nan 8.240 nan 0.000 0.468 475 L N 3.934 125.171 121.223 0.023 0.000 2.307 475 L HA 0.582 4.920 4.340 -0.003 0.000 0.284 475 L C -0.463 176.407 176.870 -0.001 0.000 1.023 475 L CA -0.285 54.561 54.840 0.010 0.000 0.810 475 L CB 1.608 43.647 42.059 -0.033 0.000 1.231 475 L HN 0.621 nan 8.230 nan 0.000 0.423 476 Q N 3.772 123.577 119.800 0.008 0.000 2.321 476 Q HA 0.588 4.926 4.340 -0.003 0.000 0.270 476 Q C -1.810 174.193 176.000 0.005 0.000 1.032 476 Q CA -0.797 55.008 55.803 0.004 0.000 0.784 476 Q CB 2.090 30.834 28.738 0.010 0.000 1.264 476 Q HN 0.629 nan 8.270 nan 0.000 0.448 477 V N 5.404 125.316 119.914 -0.003 0.000 2.383 477 V HA 0.272 4.391 4.120 -0.003 0.000 0.275 477 V C 0.352 176.449 176.094 0.005 0.000 1.036 477 V CA -0.491 61.806 62.300 -0.006 0.000 0.889 477 V CB 0.890 32.703 31.823 -0.016 0.000 0.985 477 V HN 0.997 nan 8.190 nan 0.000 0.459 478 N N 4.030 122.735 118.700 0.008 0.000 1.161 478 N HA -0.232 4.506 4.740 -0.003 0.000 0.111 478 N C 1.255 176.783 175.510 0.030 0.000 0.779 478 N CA 1.892 54.954 53.050 0.020 0.000 0.845 478 N CB -1.064 37.437 38.487 0.024 0.000 1.034 478 N HN 0.952 nan 8.380 nan 0.000 0.629 479 G N 0.574 109.401 108.800 0.047 0.000 3.518 479 G HA2 0.211 4.170 3.960 -0.003 0.000 0.273 479 G HA3 0.211 4.170 3.960 -0.003 0.000 0.273 479 G C 0.343 175.276 174.900 0.055 0.000 1.199 479 G CA 0.001 45.139 45.100 0.062 0.000 0.899 479 G HN 0.383 nan 8.290 nan 0.000 0.533 480 Q N 0.145 119.962 119.800 0.029 0.000 2.396 480 Q HA 0.270 4.608 4.340 -0.003 0.000 0.221 480 Q C 0.146 176.141 176.000 -0.008 0.000 1.025 480 Q CA -0.175 55.632 55.803 0.006 0.000 0.946 480 Q CB 0.500 29.237 28.738 -0.001 0.000 1.224 480 Q HN 0.120 nan 8.270 nan 0.000 0.539 481 T N 1.403 115.937 114.554 -0.033 0.000 2.908 481 T HA 0.180 4.528 4.350 -0.003 0.000 0.301 481 T C 0.016 174.698 174.700 -0.029 0.000 1.019 481 T CA -0.235 61.840 62.100 -0.043 0.000 1.152 481 T CB 0.366 69.193 68.868 -0.068 0.000 0.966 481 T HN 0.596 nan 8.240 nan 0.000 0.540 482 A N 3.211 126.014 122.820 -0.028 0.000 2.346 482 A HA 0.621 4.939 4.320 -0.003 0.000 0.252 482 A C 0.703 178.266 177.584 -0.034 0.000 1.089 482 A CA -0.361 51.662 52.037 -0.023 0.000 0.797 482 A CB 0.558 19.548 19.000 -0.017 0.000 1.047 482 A HN 0.791 nan 8.150 nan 0.000 0.494 483 T N -0.963 113.578 114.554 -0.021 0.000 2.841 483 T HA 0.615 4.963 4.350 -0.003 0.000 0.296 483 T C -0.629 174.073 174.700 0.004 0.000 1.166 483 T CA -0.302 61.792 62.100 -0.011 0.000 1.007 483 T CB 1.405 70.324 68.868 0.084 0.000 1.253 483 T HN 0.674 nan 8.240 nan 0.000 0.511 484 T N 2.060 116.618 114.554 0.007 0.000 2.824 484 T HA 0.666 5.014 4.350 -0.003 0.000 0.280 484 T C -0.734 174.094 174.700 0.213 0.000 0.995 484 T CA -0.480 61.637 62.100 0.029 0.000 1.009 484 T CB 1.206 70.006 68.868 -0.113 0.000 0.955 484 T HN 0.476 nan 8.240 nan 0.000 0.452 485 V N 2.222 122.221 119.914 0.142 0.000 2.604 485 V HA 0.621 4.739 4.120 -0.003 0.000 0.305 485 V C 0.102 176.174 176.094 -0.037 0.000 1.043 485 V CA -0.849 61.457 62.300 0.011 0.000 0.888 485 V CB 1.966 33.605 31.823 -0.306 0.000 0.995 485 V HN 0.886 nan 8.190 nan 0.000 0.429 486 S N 3.405 119.021 115.700 -0.139 0.000 2.525 486 S HA 0.771 5.239 4.470 -0.003 0.000 0.290 486 S C -1.146 173.185 174.600 -0.449 0.000 1.152 486 S CA -0.353 57.762 58.200 -0.142 0.000 1.072 486 S CB 0.459 63.570 63.200 -0.149 0.000 1.027 486 S HN 0.426 nan 8.310 nan 0.000 0.500 487 F N 5.024 124.886 119.950 -0.147 0.000 2.434 487 F HA 0.418 4.944 4.527 -0.003 0.000 0.367 487 F C -2.190 173.600 175.800 -0.016 0.000 1.093 487 F CA -1.943 55.882 58.000 -0.291 0.000 1.085 487 F CB 1.473 40.079 39.000 -0.656 0.000 1.322 487 F HN 0.369 nan 8.300 nan 0.000 0.452 488 P HA 0.160 nan 4.420 nan 0.000 0.272 488 P C -2.552 174.915 177.300 0.278 0.000 1.240 488 P CA -1.320 61.897 63.100 0.194 0.000 0.791 488 P CB 0.096 31.872 31.700 0.127 0.000 0.978 489 P HA -0.041 nan 4.420 nan 0.000 0.265 489 P C 0.701 178.066 177.300 0.108 0.000 1.187 489 P CA 0.812 63.995 63.100 0.139 0.000 0.766 489 P CB -0.002 31.749 31.700 0.085 0.000 0.820 490 T N -0.492 114.095 114.554 0.055 0.000 2.985 490 T HA 0.431 4.779 4.350 -0.003 0.000 0.254 490 T C 0.918 175.599 174.700 -0.032 0.000 1.021 490 T CA 0.336 62.415 62.100 -0.036 0.000 0.957 490 T CB -0.450 68.309 68.868 -0.182 0.000 1.047 490 T HN 0.673 nan 8.240 nan 0.000 0.511 491 G N 1.244 110.040 108.800 -0.007 0.000 2.642 491 G HA2 0.051 4.009 3.960 -0.003 0.000 0.231 491 G HA3 0.051 4.009 3.960 -0.003 0.000 0.231 491 G C 0.939 175.827 174.900 -0.021 0.000 1.338 491 G CA -0.125 44.969 45.100 -0.010 0.000 0.883 491 G HN 1.032 nan 8.290 nan 0.000 0.570 492 A N -0.657 122.152 122.820 -0.019 0.000 2.016 492 A HA 0.519 4.837 4.320 -0.003 0.000 0.217 492 A C 1.708 179.272 177.584 -0.033 0.000 1.162 492 A CA 2.242 54.267 52.037 -0.020 0.000 0.662 492 A CB -0.299 18.693 19.000 -0.013 0.000 0.812 492 A HN 1.593 nan 8.150 nan 0.000 0.450 493 S N -0.357 115.318 115.700 -0.043 0.000 2.616 493 S HA 0.599 5.067 4.470 -0.003 0.000 0.277 493 S C 0.413 174.956 174.600 -0.096 0.000 1.234 493 S CA -0.235 57.932 58.200 -0.055 0.000 1.028 493 S CB 1.365 64.538 63.200 -0.045 0.000 0.988 493 S HN 0.678 nan 8.310 nan 0.000 0.522 494 A N 1.456 124.214 122.820 -0.104 0.000 2.406 494 A HA 0.640 4.959 4.320 -0.003 0.000 0.243 494 A C 0.677 178.144 177.584 -0.195 0.000 1.082 494 A CA 0.175 52.110 52.037 -0.170 0.000 0.786 494 A CB -0.272 18.666 19.000 -0.104 0.000 1.029 494 A HN 0.965 nan 8.150 nan 0.000 0.495 495 G N -0.958 107.641 108.800 -0.335 0.000 2.766 495 G HA2 0.678 4.636 3.960 -0.003 0.000 0.288 495 G HA3 0.678 4.636 3.960 -0.003 0.000 0.288 495 G C -0.559 174.251 174.900 -0.151 0.000 1.408 495 G CA 0.184 45.147 45.100 -0.228 0.000 0.852 495 G HN 1.336 nan 8.290 nan 0.000 0.487 496 T N -2.197 112.379 114.554 0.037 0.000 2.908 496 T HA 0.744 5.092 4.350 -0.003 0.000 0.290 496 T C -0.093 174.762 174.700 0.259 0.000 1.034 496 T CA -0.493 61.725 62.100 0.196 0.000 1.010 496 T CB 1.448 70.380 68.868 0.106 0.000 1.068 496 T HN 1.446 nan 8.240 nan 0.000 0.481 497 V N -0.623 119.457 119.914 0.275 0.000 2.919 497 V HA 0.890 5.008 4.120 -0.003 0.000 0.316 497 V C -0.231 175.852 176.094 -0.017 0.000 1.077 497 V CA -0.887 61.448 62.300 0.057 0.000 0.977 497 V CB 1.682 33.423 31.823 -0.136 0.000 1.039 497 V HN 1.034 nan 8.190 nan 0.000 0.441 498 S N 1.260 116.930 115.700 -0.049 0.000 2.537 498 S HA 0.887 5.355 4.470 -0.003 0.000 0.301 498 S C -0.335 174.211 174.600 -0.089 0.000 1.092 498 S CA -0.416 57.753 58.200 -0.052 0.000 1.048 498 S CB 1.659 64.847 63.200 -0.021 0.000 1.053 498 S HN 1.620 nan 8.310 nan 0.000 0.501 499 V N -0.132 119.721 119.914 -0.101 0.000 3.007 499 V HA 0.664 4.783 4.120 -0.003 0.000 0.311 499 V C -1.006 175.055 176.094 -0.056 0.000 1.120 499 V CA -0.997 61.229 62.300 -0.123 0.000 0.980 499 V CB 1.795 33.434 31.823 -0.307 0.000 1.033 499 V HN 0.826 nan 8.190 nan 0.000 0.429 500 E N 1.617 121.813 120.200 -0.005 0.000 2.197 500 E HA 0.675 5.023 4.350 -0.003 0.000 0.281 500 E C -0.627 175.971 176.600 -0.004 0.000 0.995 500 E CA -0.629 55.772 56.400 0.003 0.000 0.808 500 E CB 2.118 31.831 29.700 0.022 0.000 1.093 500 E HN 0.968 nan 8.360 nan 0.000 0.394 501 V N -0.384 119.520 119.914 -0.016 0.000 3.040 501 V HA 0.634 4.752 4.120 -0.003 0.000 0.312 501 V C -0.467 175.619 176.094 -0.013 0.000 1.115 501 V CA -0.904 61.384 62.300 -0.019 0.000 0.998 501 V CB 2.048 33.848 31.823 -0.038 0.000 1.042 501 V HN 0.507 nan 8.190 nan 0.000 0.433 502 S N 2.433 118.125 115.700 -0.013 0.000 2.442 502 S HA 0.822 5.290 4.470 -0.003 0.000 0.297 502 S C -0.702 173.890 174.600 -0.014 0.000 1.131 502 S CA -0.554 57.637 58.200 -0.015 0.000 1.092 502 S CB 0.111 63.299 63.200 -0.020 0.000 0.998 502 S HN 0.691 nan 8.310 nan 0.000 0.478 503 L N 2.948 124.165 121.223 -0.010 0.000 2.323 503 L HA 0.575 4.914 4.340 -0.003 0.000 0.265 503 L C 0.057 176.930 176.870 0.004 0.000 1.012 503 L CA -0.943 53.894 54.840 -0.006 0.000 0.820 503 L CB 2.269 44.324 42.059 -0.008 0.000 1.334 503 L HN 0.479 nan 8.230 nan 0.000 0.427 504 S N 0.416 116.123 115.700 0.011 0.000 2.562 504 S HA 0.206 4.674 4.470 -0.003 0.000 0.275 504 S C -0.218 174.398 174.600 0.026 0.000 1.281 504 S CA -0.604 57.611 58.200 0.023 0.000 1.045 504 S CB 1.187 64.406 63.200 0.032 0.000 0.962 504 S HN 0.412 nan 8.310 nan 0.000 0.503 505 K N 1.500 121.920 120.400 0.033 0.000 2.511 505 K HA 0.294 4.612 4.320 -0.003 0.000 0.280 505 K C 0.745 177.366 176.600 0.036 0.000 1.008 505 K CA 0.995 57.304 56.287 0.037 0.000 1.050 505 K CB -0.382 32.142 32.500 0.041 0.000 0.889 505 K HN 0.904 nan 8.250 nan 0.000 0.484 506 G N 1.596 110.419 108.800 0.038 0.000 2.396 506 G HA2 -0.199 3.759 3.960 -0.003 0.000 0.254 506 G HA3 -0.199 3.759 3.960 -0.003 0.000 0.254 506 G C -0.259 174.664 174.900 0.040 0.000 1.248 506 G CA -0.145 44.978 45.100 0.038 0.000 1.033 506 G HN 0.772 nan 8.290 nan 0.000 0.502 507 S N -1.359 114.365 115.700 0.040 0.000 2.651 507 S HA 0.629 5.097 4.470 -0.003 0.000 0.246 507 S C 1.132 175.747 174.600 0.025 0.000 1.039 507 S CA 0.973 59.199 58.200 0.044 0.000 1.013 507 S CB 1.034 64.275 63.200 0.067 0.000 0.861 507 S HN 2.134 nan 8.310 nan 0.000 0.485 508 A N 1.482 124.311 122.820 0.016 0.000 2.423 508 A HA 0.344 4.663 4.320 -0.003 0.000 0.246 508 A C 0.454 178.036 177.584 -0.002 0.000 1.278 508 A CA -0.567 51.476 52.037 0.011 0.000 0.903 508 A CB -0.098 18.913 19.000 0.018 0.000 0.997 508 A HN 0.501 nan 8.150 nan 0.000 0.510 509 N N 1.874 120.562 118.700 -0.020 0.000 2.518 509 N HA 0.247 4.985 4.740 -0.003 0.000 0.266 509 N C -0.210 175.268 175.510 -0.053 0.000 1.196 509 N CA 0.885 53.914 53.050 -0.035 0.000 0.947 509 N CB 1.055 39.511 38.487 -0.052 0.000 1.098 509 N HN 0.422 nan 8.380 nan 0.000 0.450 510 T N -1.116 113.419 114.554 -0.031 0.000 2.876 510 T HA 0.635 4.983 4.350 -0.003 0.000 0.289 510 T C -0.537 174.160 174.700 -0.004 0.000 1.014 510 T CA -0.844 61.247 62.100 -0.015 0.000 0.986 510 T CB 1.185 70.056 68.868 0.005 0.000 1.021 510 T HN 0.123 nan 8.240 nan 0.000 0.458 511 L N 2.183 123.423 121.223 0.029 0.000 2.349 511 L HA 0.776 5.114 4.340 -0.003 0.000 0.278 511 L C -0.071 176.871 176.870 0.119 0.000 0.996 511 L CA -0.683 54.184 54.840 0.046 0.000 0.825 511 L CB 1.741 43.798 42.059 -0.003 0.000 1.243 511 L HN 1.072 nan 8.230 nan 0.000 0.412 512 A N 4.907 127.774 122.820 0.078 0.000 2.330 512 A HA 0.868 5.186 4.320 -0.003 0.000 0.313 512 A C -0.918 176.712 177.584 0.075 0.000 1.124 512 A CA -0.434 51.651 52.037 0.080 0.000 0.774 512 A CB 0.698 19.724 19.000 0.042 0.000 1.198 512 A HN 0.618 nan 8.150 nan 0.000 0.465 513 L N 1.839 123.118 121.223 0.095 0.000 2.309 513 L HA 0.591 4.929 4.340 -0.003 0.000 0.282 513 L C 0.070 176.967 176.870 0.045 0.000 1.036 513 L CA -0.320 54.569 54.840 0.081 0.000 0.806 513 L CB 2.077 44.203 42.059 0.112 0.000 1.220 513 L HN 0.643 nan 8.230 nan 0.000 0.429 514 S N 1.205 116.927 115.700 0.037 0.000 2.502 514 S HA 0.830 5.299 4.470 -0.003 0.000 0.304 514 S C 0.121 174.731 174.600 0.018 0.000 1.097 514 S CA -0.258 57.954 58.200 0.019 0.000 1.045 514 S CB 1.811 65.021 63.200 0.016 0.000 1.019 514 S HN 1.073 nan 8.310 nan 0.000 0.481 515 G N 1.645 110.445 108.800 0.001 0.000 2.828 515 G HA2 0.379 4.337 3.960 -0.003 0.000 0.463 515 G HA3 0.379 4.337 3.960 -0.003 0.000 0.463 515 G C 0.312 175.193 174.900 -0.033 0.000 1.394 515 G CA -0.322 44.775 45.100 -0.005 0.000 0.862 515 G HN 2.024 nan 8.290 nan 0.000 0.540 516 G N -0.671 108.103 108.800 -0.044 0.000 2.741 516 G HA2 0.283 4.242 3.960 -0.003 0.000 0.222 516 G HA3 0.283 4.242 3.960 -0.003 0.000 0.222 516 G C -1.513 173.266 174.900 -0.202 0.000 1.364 516 G CA 0.644 45.672 45.100 -0.120 0.000 0.866 516 G HN 1.710 nan 8.290 nan 0.000 0.555 517 P HA 0.509 nan 4.420 nan 0.000 0.271 517 P C 0.235 177.402 177.300 -0.222 0.000 1.218 517 P CA 0.574 63.525 63.100 -0.248 0.000 0.780 517 P CB 0.701 32.259 31.700 -0.237 0.000 0.901 518 A N 2.638 125.402 122.820 -0.093 0.000 2.520 518 A HA 0.398 4.716 4.320 -0.003 0.000 0.245 518 A C 0.910 178.489 177.584 -0.008 0.000 1.072 518 A CA 0.178 52.187 52.037 -0.046 0.000 0.761 518 A CB -0.745 18.246 19.000 -0.016 0.000 1.004 518 A HN 0.670 nan 8.150 nan 0.000 0.499 519 T N 0.015 114.593 114.554 0.041 0.000 2.927 519 T HA 0.591 4.939 4.350 -0.003 0.000 0.281 519 T C 0.010 174.815 174.700 0.175 0.000 0.998 519 T CA -0.533 61.651 62.100 0.140 0.000 1.019 519 T CB 1.313 70.312 68.868 0.217 0.000 1.061 519 T HN 0.609 nan 8.240 nan 0.000 0.518 520 E N -0.056 120.262 120.200 0.197 0.000 2.887 520 E HA 0.491 4.839 4.350 -0.003 0.000 0.206 520 E C 0.335 177.049 176.600 0.189 0.000 0.983 520 E CA -0.694 55.799 56.400 0.154 0.000 1.141 520 E CB 0.555 30.310 29.700 0.092 0.000 1.061 520 E HN 1.135 nan 8.360 nan 0.000 0.468 521 G N 1.668 110.653 108.800 0.310 0.000 2.428 521 G HA2 0.028 3.986 3.960 -0.003 0.000 0.681 521 G HA3 0.028 3.986 3.960 -0.003 0.000 0.681 521 G C -0.944 174.007 174.900 0.085 0.000 1.340 521 G CA -0.802 44.477 45.100 0.298 0.000 0.915 521 G HN 0.199 nan 8.290 nan 0.000 0.645 522 I N -2.078 118.471 120.570 -0.034 0.000 2.828 522 I HA 0.917 5.085 4.170 -0.003 0.000 0.302 522 I C -0.285 175.853 176.117 0.034 0.000 1.101 522 I CA -1.012 60.209 61.300 -0.132 0.000 1.031 522 I CB 2.581 40.315 38.000 -0.443 0.000 1.231 522 I HN 0.508 nan 8.210 nan 0.000 0.427 523 T N 3.984 118.553 114.554 0.026 0.000 2.829 523 T HA 0.646 4.994 4.350 -0.003 0.000 0.280 523 T C -0.652 174.085 174.700 0.062 0.000 0.999 523 T CA -0.464 61.668 62.100 0.052 0.000 0.983 523 T CB 1.959 70.841 68.868 0.024 0.000 0.968 523 T HN 0.448 nan 8.240 nan 0.000 0.446 524 V N 4.248 124.227 119.914 0.108 0.000 2.483 524 V HA 0.581 4.699 4.120 -0.003 0.000 0.297 524 V C -0.216 175.923 176.094 0.075 0.000 1.027 524 V CA -0.873 61.486 62.300 0.098 0.000 0.855 524 V CB 1.758 33.681 31.823 0.166 0.000 0.995 524 V HN 0.721 nan 8.190 nan 0.000 0.424 525 R N 5.241 125.767 120.500 0.043 0.000 2.628 525 R HA 0.568 4.906 4.340 -0.003 0.000 0.288 525 R C -2.873 173.444 176.300 0.029 0.000 0.980 525 R CA -1.738 54.383 56.100 0.034 0.000 0.891 525 R CB 3.298 33.611 30.300 0.021 0.000 1.188 525 R HN 0.434 nan 8.270 nan 0.000 0.450 526 P HA 0.228 nan 4.420 nan 0.000 0.279 526 P C -0.780 176.535 177.300 0.025 0.000 1.252 526 P CA -0.432 62.685 63.100 0.028 0.000 0.811 526 P CB 1.092 32.812 31.700 0.034 0.000 1.035 527 L N 3.254 124.490 121.223 0.022 0.000 2.335 527 L HA 0.286 4.624 4.340 -0.003 0.000 0.268 527 L C -1.696 175.190 176.870 0.026 0.000 1.037 527 L CA -1.896 52.958 54.840 0.024 0.000 0.895 527 L CB 1.566 43.637 42.059 0.019 0.000 1.266 527 L HN 0.154 nan 8.230 nan 0.000 0.439 528 P HA -0.119 nan 4.420 nan 0.000 0.220 528 P C 1.629 178.947 177.300 0.029 0.000 1.148 528 P CA 0.842 63.962 63.100 0.034 0.000 0.803 528 P CB 0.351 32.078 31.700 0.044 0.000 0.782 529 G N -0.438 108.380 108.800 0.029 0.000 2.470 529 G HA2 -0.231 3.727 3.960 -0.003 0.000 0.220 529 G HA3 -0.231 3.727 3.960 -0.003 0.000 0.220 529 G C 1.345 176.245 174.900 0.001 0.000 1.121 529 G CA 1.525 46.635 45.100 0.016 0.000 0.766 529 G HN 0.387 nan 8.290 nan 0.000 0.553 530 T N -1.611 112.944 114.554 0.002 0.000 3.107 530 T HA 0.142 4.490 4.350 -0.003 0.000 0.249 530 T C 0.755 175.451 174.700 -0.007 0.000 1.096 530 T CA -0.551 61.544 62.100 -0.010 0.000 1.012 530 T CB -0.123 68.739 68.868 -0.011 0.000 0.977 530 T HN -0.011 nan 8.240 nan 0.000 0.527 531 N N 2.197 120.902 118.700 0.008 0.000 2.293 531 N HA 0.437 5.175 4.740 -0.003 0.000 0.253 531 N C 0.488 176.010 175.510 0.021 0.000 1.248 531 N CA 0.869 53.929 53.050 0.018 0.000 0.845 531 N CB 0.687 39.193 38.487 0.031 0.000 1.073 531 N HN 0.657 nan 8.380 nan 0.000 0.464 532 G N -0.981 107.833 108.800 0.023 0.000 3.021 532 G HA2 0.835 4.793 3.960 -0.003 0.000 0.290 532 G HA3 0.835 4.793 3.960 -0.003 0.000 0.290 532 G C -1.773 173.164 174.900 0.061 0.000 1.291 532 G CA -0.223 44.902 45.100 0.041 0.000 0.834 532 G HN 0.685 nan 8.290 nan 0.000 0.564 533 A N -0.837 122.039 122.820 0.093 0.000 2.520 533 A HA 0.701 5.019 4.320 -0.003 0.000 0.298 533 A C -0.747 176.929 177.584 0.154 0.000 1.051 533 A CA -0.586 51.512 52.037 0.102 0.000 0.690 533 A CB 1.079 20.135 19.000 0.092 0.000 1.281 533 A HN 0.721 nan 8.150 nan 0.000 0.402 534 L N 1.346 122.647 121.223 0.131 0.000 2.453 534 L HA 0.268 4.607 4.340 -0.003 0.000 0.272 534 L C -0.287 176.686 176.870 0.171 0.000 1.182 534 L CA -0.363 54.582 54.840 0.175 0.000 0.858 534 L CB 0.934 43.072 42.059 0.130 0.000 1.120 534 L HN 0.422 nan 8.230 nan 0.000 0.474 535 V N 2.717 122.746 119.914 0.192 0.000 2.288 535 V HA 0.191 4.309 4.120 -0.003 0.000 0.266 535 V C 0.135 176.358 176.094 0.214 0.000 1.048 535 V CA -0.304 62.023 62.300 0.046 0.000 0.842 535 V CB 0.988 32.605 31.823 -0.342 0.000 1.064 535 V HN 0.777 nan 8.190 nan 0.000 0.472 536 T N 3.760 118.479 114.554 0.276 0.000 2.767 536 T HA 0.485 4.834 4.350 -0.003 0.000 0.284 536 T C 0.652 175.533 174.700 0.303 0.000 0.973 536 T CA -0.330 61.935 62.100 0.276 0.000 0.996 536 T CB 1.474 70.432 68.868 0.149 0.000 0.927 536 T HN 0.758 nan 8.240 nan 0.000 0.456 537 G N 1.752 110.662 108.800 0.183 0.000 2.378 537 G HA2 0.181 4.139 3.960 -0.003 0.000 0.255 537 G HA3 0.181 4.139 3.960 -0.003 0.000 0.255 537 G C 0.930 175.665 174.900 -0.275 0.000 1.270 537 G CA -0.443 44.432 45.100 -0.376 0.000 0.876 537 G HN 0.787 nan 8.290 nan 0.000 0.521 538 K N 1.339 121.517 120.400 -0.369 0.000 2.002 538 K HA -0.179 4.139 4.320 -0.003 0.000 0.209 538 K C 2.264 178.751 176.600 -0.190 0.000 1.048 538 K CA 1.664 57.820 56.287 -0.220 0.000 0.930 538 K CB -0.133 32.237 32.500 -0.217 0.000 0.714 538 K HN 0.677 nan 8.250 nan 0.000 0.438 539 Q N 0.231 119.887 119.800 -0.241 0.000 2.084 539 Q HA -0.140 4.198 4.340 -0.003 0.000 0.202 539 Q C 1.905 177.824 176.000 -0.135 0.000 0.978 539 Q CA 2.156 57.854 55.803 -0.176 0.000 0.844 539 Q CB -0.002 28.623 28.738 -0.189 0.000 0.898 539 Q HN 0.460 nan 8.270 nan 0.000 0.426 540 S N -1.983 113.631 115.700 -0.142 0.000 2.470 540 S HA 0.166 4.635 4.470 -0.003 0.000 0.222 540 S C 1.468 176.035 174.600 -0.057 0.000 1.024 540 S CA 0.664 58.811 58.200 -0.089 0.000 0.931 540 S CB 0.363 63.521 63.200 -0.070 0.000 0.791 540 S HN 0.634 nan 8.310 nan 0.000 0.513 541 G N 1.566 110.335 108.800 -0.052 0.000 2.166 541 G HA2 -0.282 3.676 3.960 -0.003 0.000 0.260 541 G HA3 -0.282 3.676 3.960 -0.003 0.000 0.260 541 G C 0.161 175.077 174.900 0.027 0.000 0.986 541 G CA 0.445 45.537 45.100 -0.012 0.000 0.683 541 G HN 0.609 nan 8.290 nan 0.000 0.527 542 R N -1.337 119.189 120.500 0.043 0.000 2.691 542 R HA 0.679 5.017 4.340 -0.003 0.000 0.259 542 R C -0.173 176.239 176.300 0.187 0.000 1.048 542 R CA -0.342 55.818 56.100 0.099 0.000 1.086 542 R CB 1.194 31.539 30.300 0.076 0.000 1.166 542 R HN 0.202 nan 8.270 nan 0.000 0.526 543 c N 1.134 119.874 118.600 0.233 0.000 2.411 543 c HA 0.525 5.093 4.570 -0.003 0.000 0.330 543 c C 0.460 174.735 174.090 0.307 0.000 1.224 543 c CA -0.724 55.766 56.329 0.269 0.000 1.770 543 c CB 1.226 43.879 42.510 0.237 0.000 2.297 543 c HN 0.840 nan 8.230 nan 0.000 0.507 544 A N 2.864 125.844 122.820 0.266 0.000 2.524 544 A HA 0.414 4.732 4.320 -0.003 0.000 0.250 544 A C -0.030 177.812 177.584 0.429 0.000 1.078 544 A CA 0.705 52.869 52.037 0.212 0.000 0.761 544 A CB 0.021 18.909 19.000 -0.187 0.000 1.012 544 A HN 0.912 nan 8.150 nan 0.000 0.500 545 D N 2.412 123.033 120.400 0.367 0.000 2.934 545 D HA 0.373 5.011 4.640 -0.003 0.000 0.230 545 D C -1.360 175.089 176.300 0.248 0.000 1.204 545 D CA -0.413 53.759 54.000 0.287 0.000 0.873 545 D CB 1.226 42.206 40.800 0.299 0.000 1.645 545 D HN 0.254 nan 8.370 nan 0.000 0.502 546 I N 3.914 124.571 120.570 0.145 0.000 2.330 546 I HA 0.125 4.293 4.170 -0.003 0.000 0.289 546 I C -0.089 176.093 176.117 0.108 0.000 1.001 546 I CA -0.657 60.742 61.300 0.164 0.000 1.193 546 I CB 0.602 38.699 38.000 0.163 0.000 1.345 546 I HN 0.461 nan 8.210 nan 0.000 0.461 547 Y N 7.932 128.223 120.300 -0.015 0.000 2.802 547 Y HA -0.155 4.393 4.550 -0.003 0.000 0.333 547 Y C 1.319 177.152 175.900 -0.111 0.000 1.244 547 Y CA 0.955 58.964 58.100 -0.150 0.000 1.558 547 Y CB -0.024 38.376 38.460 -0.100 0.000 1.233 547 Y HN 0.778 nan 8.280 nan 0.000 0.547 548 N N 4.067 122.312 118.700 -0.759 0.000 2.725 548 N HA -0.314 4.424 4.740 -0.003 0.000 0.249 548 N C -0.530 174.860 175.510 -0.201 0.000 1.103 548 N CA 1.329 53.996 53.050 -0.638 0.000 0.707 548 N CB -1.375 36.554 38.487 -0.930 0.000 1.043 548 N HN 0.850 nan 8.380 nan 0.000 0.553 549 N N -2.676 116.007 118.700 -0.028 0.000 2.747 549 N HA -0.171 4.567 4.740 -0.003 0.000 0.249 549 N C -0.893 174.788 175.510 0.285 0.000 1.107 549 N CA 1.486 54.652 53.050 0.194 0.000 0.707 549 N CB -1.961 36.666 38.487 0.233 0.000 1.054 549 N HN 0.479 nan 8.380 nan 0.000 0.555 550 T N 1.151 115.834 114.554 0.215 0.000 2.901 550 T HA 0.329 4.678 4.350 -0.003 0.000 0.301 550 T C 1.980 176.802 174.700 0.202 0.000 1.012 550 T CA -0.159 62.078 62.100 0.230 0.000 1.135 550 T CB 0.885 69.864 68.868 0.184 0.000 0.936 550 T HN 0.362 nan 8.240 nan 0.000 0.539 551 I N -0.878 119.783 120.570 0.151 0.000 4.082 551 I HA 0.252 4.420 4.170 -0.003 0.000 0.337 551 I C 0.407 176.566 176.117 0.070 0.000 1.352 551 I CA -0.508 60.810 61.300 0.030 0.000 1.097 551 I CB 0.053 37.923 38.000 -0.216 0.000 1.048 551 I HN 0.340 nan 8.210 nan 0.000 0.393 552 T N 3.334 117.940 114.554 0.087 0.000 2.867 552 T HA 0.065 4.414 4.350 -0.003 0.000 0.297 552 T C 0.279 174.961 174.700 -0.029 0.000 0.989 552 T CA 0.004 62.117 62.100 0.021 0.000 1.159 552 T CB -0.159 68.728 68.868 0.031 0.000 0.928 552 T HN 0.251 nan 8.240 nan 0.000 0.538 553 N N 2.207 120.786 118.700 -0.202 0.000 2.219 553 N HA 0.135 4.873 4.740 -0.003 0.000 0.263 553 N C 1.446 176.863 175.510 -0.156 0.000 1.269 553 N CA 1.596 54.367 53.050 -0.466 0.000 0.831 553 N CB 0.169 37.901 38.487 -1.258 0.000 1.059 553 N HN 1.013 nan 8.380 nan 0.000 0.475 554 G N 0.943 109.884 108.800 0.235 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 0.117 175.124 174.900 0.178 0.000 0.982 554 G CA 0.311 45.637 45.100 0.376 0.000 0.641 554 G HN 0.635 nan 8.290 nan 0.000 0.527 555 T N 1.379 116.031 114.554 0.163 0.000 2.853 555 T HA 0.388 4.737 4.350 -0.003 0.000 0.298 555 T C 0.390 175.190 174.700 0.167 0.000 0.978 555 T CA 0.480 62.667 62.100 0.146 0.000 1.152 555 T CB 1.527 70.493 68.868 0.165 0.000 0.914 555 T HN 0.511 nan 8.240 nan 0.000 0.539 556 Q N 1.891 121.767 119.800 0.127 0.000 2.288 556 Q HA 0.511 4.850 4.340 -0.003 0.000 0.254 556 Q C -0.057 176.038 176.000 0.158 0.000 0.932 556 Q CA -0.805 55.075 55.803 0.128 0.000 0.902 556 Q CB 0.652 29.436 28.738 0.078 0.000 1.203 556 Q HN 0.838 nan 8.270 nan 0.000 0.415 557 A N 4.283 127.200 122.820 0.162 0.000 2.498 557 A HA 0.182 4.500 4.320 -0.003 0.000 0.239 557 A C -0.499 177.187 177.584 0.169 0.000 1.068 557 A CA 0.249 52.388 52.037 0.170 0.000 0.766 557 A CB 0.352 19.394 19.000 0.071 0.000 1.003 557 A HN 0.868 nan 8.150 nan 0.000 0.497 558 E N 0.652 120.987 120.200 0.225 0.000 2.416 558 E HA 0.488 4.837 4.350 -0.003 0.000 0.273 558 E C -1.172 175.614 176.600 0.309 0.000 0.935 558 E CA -0.882 55.675 56.400 0.262 0.000 0.784 558 E CB 1.558 31.450 29.700 0.319 0.000 1.301 558 E HN 0.605 nan 8.360 nan 0.000 0.454 559 L N 1.510 122.910 121.223 0.295 0.000 2.397 559 L HA 0.316 4.654 4.340 -0.003 0.000 0.271 559 L C -0.431 176.667 176.870 0.380 0.000 1.148 559 L CA 0.078 55.094 54.840 0.292 0.000 0.825 559 L CB 0.444 42.616 42.059 0.187 0.000 1.117 559 L HN 0.339 nan 8.230 nan 0.000 0.456 560 W N 2.358 123.743 121.300 0.141 0.000 3.167 560 W HA 0.188 4.846 4.660 -0.003 0.000 0.324 560 W C -1.000 175.579 176.519 0.100 0.000 1.230 560 W CA -0.758 56.660 57.345 0.122 0.000 1.184 560 W CB 2.046 31.589 29.460 0.137 0.000 1.414 560 W HN 0.437 nan 8.180 nan 0.000 0.551 561 D N 2.220 122.636 120.400 0.026 0.000 2.658 561 D HA -0.028 4.610 4.640 -0.003 0.000 0.230 561 D C 0.368 176.823 176.300 0.260 0.000 1.118 561 D CA 0.991 55.059 54.000 0.113 0.000 0.848 561 D CB 0.533 41.371 40.800 0.063 0.000 1.160 561 D HN 0.130 nan 8.370 nan 0.000 0.497 562 c N 3.393 122.095 118.600 0.170 0.000 2.648 562 c HA 0.081 4.649 4.570 -0.003 0.000 0.419 562 c C 1.651 175.822 174.090 0.134 0.000 1.352 562 c CA -0.436 55.987 56.329 0.158 0.000 1.816 562 c CB -0.857 41.724 42.510 0.118 0.000 2.598 562 c HN 0.702 nan 8.230 nan 0.000 0.598 563 N N 0.118 118.891 118.700 0.120 0.000 2.067 563 N HA 0.217 4.955 4.740 -0.003 0.000 0.227 563 N C 0.924 176.464 175.510 0.049 0.000 1.348 563 N CA 0.557 53.658 53.050 0.085 0.000 0.879 563 N CB 0.010 38.555 38.487 0.096 0.000 1.109 563 N HN 0.942 nan 8.380 nan 0.000 0.501 564 G N -0.619 108.208 108.800 0.045 0.000 2.148 564 G HA2 -0.166 3.792 3.960 -0.003 0.000 0.254 564 G HA3 -0.166 3.792 3.960 -0.003 0.000 0.254 564 G C 0.470 175.365 174.900 -0.008 0.000 0.981 564 G CA 0.106 45.217 45.100 0.018 0.000 0.670 564 G HN 0.760 nan 8.290 nan 0.000 0.528 565 G N -0.081 108.712 108.800 -0.012 0.000 2.667 565 G HA2 0.489 4.448 3.960 -0.003 0.000 0.250 565 G HA3 0.489 4.448 3.960 -0.003 0.000 0.250 565 G C -0.424 174.435 174.900 -0.069 0.000 1.212 565 G CA -0.163 44.920 45.100 -0.028 0.000 0.874 565 G HN 0.108 nan 8.290 nan 0.000 0.561 566 P HA -0.124 nan 4.420 nan 0.000 0.219 566 P C 1.461 178.599 177.300 -0.269 0.000 1.146 566 P CA 1.101 64.150 63.100 -0.086 0.000 0.808 566 P CB 0.096 31.840 31.700 0.072 0.000 0.779 567 N N -0.767 117.838 118.700 -0.158 0.000 2.521 567 N HA -0.098 4.641 4.740 -0.003 0.000 0.188 567 N C 0.976 176.256 175.510 -0.383 0.000 1.146 567 N CA 0.687 53.559 53.050 -0.297 0.000 0.893 567 N CB -0.528 37.948 38.487 -0.020 0.000 0.975 567 N HN 0.302 nan 8.380 nan 0.000 0.451 568 Q N -0.962 118.627 119.800 -0.351 0.000 2.113 568 Q HA 0.173 4.511 4.340 -0.003 0.000 0.225 568 Q C -0.540 175.263 176.000 -0.327 0.000 0.786 568 Q CA -0.149 55.523 55.803 -0.217 0.000 0.989 568 Q CB 0.842 29.583 28.738 0.004 0.000 1.174 568 Q HN 0.164 nan 8.270 nan 0.000 0.470 569 S N 0.756 116.164 115.700 -0.487 0.000 2.415 569 S HA 0.299 4.767 4.470 -0.003 0.000 0.313 569 S C -1.319 173.015 174.600 -0.442 0.000 1.067 569 S CA -0.571 57.444 58.200 -0.308 0.000 1.099 569 S CB -0.009 63.074 63.200 -0.195 0.000 0.991 569 S HN 0.179 nan 8.310 nan 0.000 0.491 570 W N 3.227 124.471 121.300 -0.094 0.000 2.361 570 W HA 0.361 5.019 4.660 -0.003 0.000 0.309 570 W C 0.357 176.857 176.519 -0.033 0.000 1.122 570 W CA -0.731 56.558 57.345 -0.093 0.000 1.208 570 W CB 1.146 30.530 29.460 -0.126 0.000 1.246 570 W HN 0.309 nan 8.180 nan 0.000 0.490 571 T N 3.793 118.454 114.554 0.179 0.000 2.733 571 T HA 0.102 4.450 4.350 -0.003 0.000 0.294 571 T C -1.142 173.688 174.700 0.217 0.000 0.956 571 T CA -0.329 61.860 62.100 0.148 0.000 0.987 571 T CB 0.020 68.927 68.868 0.065 0.000 0.920 571 T HN 0.151 nan 8.240 nan 0.000 0.470 572 Y N 4.440 124.785 120.300 0.076 0.000 2.365 572 Y HA 0.411 4.959 4.550 -0.003 0.000 0.340 572 Y C 0.908 176.846 175.900 0.063 0.000 1.016 572 Y CA -0.923 57.219 58.100 0.070 0.000 1.196 572 Y CB 0.322 38.814 38.460 0.053 0.000 1.167 572 Y HN 0.700 nan 8.280 nan 0.000 0.509 573 T N 0.347 114.715 114.554 -0.309 0.000 2.936 573 T HA 0.250 4.598 4.350 -0.003 0.000 0.282 573 T C 1.186 175.659 174.700 -0.378 0.000 1.003 573 T CA -0.167 61.788 62.100 -0.241 0.000 1.005 573 T CB 1.150 69.948 68.868 -0.118 0.000 1.097 573 T HN 0.640 nan 8.240 nan 0.000 0.532 574 S N 0.112 115.694 115.700 -0.196 0.000 2.500 574 S HA -0.082 4.386 4.470 -0.003 0.000 0.239 574 S C 1.488 175.998 174.600 -0.150 0.000 0.989 574 S CA 0.270 58.379 58.200 -0.152 0.000 0.951 574 S CB -0.558 62.594 63.200 -0.079 0.000 0.759 574 S HN 0.766 nan 8.310 nan 0.000 0.523 575 R N 0.973 121.380 120.500 -0.155 0.000 2.388 575 R HA 0.314 4.652 4.340 -0.003 0.000 0.247 575 R C 0.050 176.282 176.300 -0.114 0.000 0.931 575 R CA -0.070 55.969 56.100 -0.102 0.000 1.082 575 R CB -0.092 30.174 30.300 -0.057 0.000 1.135 575 R HN 0.347 nan 8.270 nan 0.000 0.525 576 K N 0.401 120.641 120.400 -0.266 0.000 3.281 576 K HA -0.203 4.115 4.320 -0.003 0.000 0.295 576 K C -0.889 175.749 176.600 0.064 0.000 1.233 576 K CA 0.980 57.128 56.287 -0.232 0.000 0.866 576 K CB -1.282 31.252 32.500 0.055 0.000 1.265 576 K HN 0.401 nan 8.250 nan 0.000 0.482 577 E N 0.575 120.778 120.200 0.004 0.000 2.349 577 E HA 0.379 4.727 4.350 -0.003 0.000 0.265 577 E C -0.144 176.625 176.600 0.283 0.000 1.064 577 E CA -0.402 56.127 56.400 0.214 0.000 0.886 577 E CB 0.870 30.651 29.700 0.135 0.000 1.036 577 E HN 0.118 nan 8.360 nan 0.000 0.413 578 L N 2.787 124.209 121.223 0.332 0.000 2.295 578 L HA 0.324 4.662 4.340 -0.003 0.000 0.281 578 L C -1.117 175.980 176.870 0.378 0.000 1.018 578 L CA -0.760 54.234 54.840 0.257 0.000 0.841 578 L CB 1.179 43.160 42.059 -0.130 0.000 1.218 578 L HN 0.252 nan 8.230 nan 0.000 0.424 579 V N 4.476 124.584 119.914 0.323 0.000 2.435 579 V HA 0.430 4.548 4.120 -0.003 0.000 0.290 579 V C -0.226 175.884 176.094 0.026 0.000 1.030 579 V CA -0.562 61.857 62.300 0.198 0.000 0.881 579 V CB 2.189 34.075 31.823 0.106 0.000 0.983 579 V HN 0.407 nan 8.190 nan 0.000 0.445 580 L N 5.390 126.518 121.223 -0.159 0.000 2.346 580 L HA 0.618 4.957 4.340 -0.003 0.000 0.274 580 L C -0.279 176.340 176.870 -0.418 0.000 1.007 580 L CA 0.066 54.512 54.840 -0.657 0.000 0.818 580 L CB 1.032 42.361 42.059 -1.218 0.000 1.284 580 L HN 0.668 nan 8.230 nan 0.000 0.424 581 Y N 3.084 123.223 120.300 -0.268 0.000 4.753 581 Y HA -0.192 4.356 4.550 -0.003 0.000 0.232 581 Y C 1.535 177.323 175.900 -0.187 0.000 1.029 581 Y CA 1.193 59.147 58.100 -0.244 0.000 1.996 581 Y CB -2.182 36.111 38.460 -0.278 0.000 1.602 581 Y HN 0.928 nan 8.280 nan 0.000 0.621 582 G N 0.149 108.928 108.800 -0.034 0.000 2.184 582 G HA2 -0.402 3.556 3.960 -0.003 0.000 0.264 582 G HA3 -0.402 3.556 3.960 -0.003 0.000 0.264 582 G C 0.467 175.378 174.900 0.019 0.000 0.975 582 G CA 1.083 46.173 45.100 -0.018 0.000 0.642 582 G HN 1.226 nan 8.290 nan 0.000 0.536 583 N N -1.857 116.868 118.700 0.042 0.000 2.073 583 N HA 0.183 4.921 4.740 -0.003 0.000 0.227 583 N C -0.298 175.268 175.510 0.094 0.000 1.367 583 N CA -0.255 52.834 53.050 0.065 0.000 0.775 583 N CB 0.463 38.975 38.487 0.041 0.000 1.234 583 N HN 0.208 nan 8.380 nan 0.000 0.512 584 K N 0.576 121.045 120.400 0.115 0.000 2.397 584 K HA 0.472 4.790 4.320 -0.003 0.000 0.253 584 K C -1.141 175.584 176.600 0.209 0.000 0.932 584 K CA -0.349 56.036 56.287 0.164 0.000 0.795 584 K CB 2.240 34.858 32.500 0.197 0.000 1.159 584 K HN 0.092 nan 8.250 nan 0.000 0.424 585 c N 2.882 121.647 118.600 0.274 0.000 2.319 585 c HA 0.333 4.901 4.570 -0.003 0.000 0.335 585 c C 0.311 174.636 174.090 0.391 0.000 1.274 585 c CA -0.885 55.637 56.329 0.322 0.000 1.806 585 c CB 0.207 42.892 42.510 0.292 0.000 2.329 585 c HN 0.729 nan 8.230 nan 0.000 0.524 586 L N 4.669 126.124 121.223 0.386 0.000 2.540 586 L HA 0.237 4.576 4.340 -0.003 0.000 0.276 586 L C 0.078 177.277 176.870 0.548 0.000 1.212 586 L CA 1.464 56.465 54.840 0.269 0.000 0.893 586 L CB 0.026 41.894 42.059 -0.319 0.000 1.138 586 L HN 0.681 nan 8.230 nan 0.000 0.491 587 D N 4.258 124.954 120.400 0.493 0.000 2.970 587 D HA 0.374 5.012 4.640 -0.003 0.000 0.230 587 D C -1.274 175.230 176.300 0.340 0.000 1.276 587 D CA -0.459 53.776 54.000 0.393 0.000 0.910 587 D CB 1.990 42.997 40.800 0.344 0.000 1.590 587 D HN 0.699 nan 8.370 nan 0.000 0.551 588 A N 3.895 126.831 122.820 0.192 0.000 2.376 588 A HA 0.193 4.512 4.320 -0.003 0.000 0.298 588 A C -0.333 177.289 177.584 0.064 0.000 1.271 588 A CA -0.387 51.728 52.037 0.129 0.000 0.926 588 A CB -0.328 18.660 19.000 -0.019 0.000 1.141 588 A HN 0.536 nan 8.150 nan 0.000 0.539 589 Y N 3.728 124.033 120.300 0.007 0.000 2.802 589 Y HA -0.046 4.503 4.550 -0.003 0.000 0.333 589 Y C 1.067 176.894 175.900 -0.123 0.000 1.244 589 Y CA 1.449 59.509 58.100 -0.066 0.000 1.558 589 Y CB -0.057 38.400 38.460 -0.005 0.000 1.233 589 Y HN 0.956 nan 8.280 nan 0.000 0.547 590 N N 3.890 122.054 118.700 -0.893 0.000 2.725 590 N HA -0.272 4.466 4.740 -0.003 0.000 0.249 590 N C -0.193 175.083 175.510 -0.389 0.000 1.103 590 N CA 1.331 53.916 53.050 -0.777 0.000 0.707 590 N CB -1.253 36.659 38.487 -0.959 0.000 1.043 590 N HN 0.833 nan 8.380 nan 0.000 0.553 591 L N -3.396 117.654 121.223 -0.288 0.000 3.865 591 L HA -0.180 4.158 4.340 -0.003 0.000 0.408 591 L C 1.169 177.950 176.870 -0.148 0.000 1.209 591 L CA 0.950 55.673 54.840 -0.195 0.000 0.940 591 L CB -2.114 39.836 42.059 -0.181 0.000 1.971 591 L HN 0.497 nan 8.230 nan 0.000 0.899 592 G N -0.220 108.507 108.800 -0.121 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 0.991 175.850 174.900 -0.070 0.000 1.293 592 G CA 0.353 45.409 45.100 -0.073 0.000 0.869 592 G HN 0.504 nan 8.290 nan 0.000 0.556 593 T N -2.018 112.494 114.554 -0.071 0.000 3.091 593 T HA 0.333 4.682 4.350 -0.003 0.000 0.277 593 T C 0.834 175.483 174.700 -0.086 0.000 0.996 593 T CA 0.404 62.458 62.100 -0.077 0.000 0.897 593 T CB 0.040 68.861 68.868 -0.078 0.000 1.109 593 T HN 0.804 nan 8.240 nan 0.000 0.534 594 T N -0.243 114.256 114.554 -0.090 0.000 2.926 594 T HA 0.552 4.900 4.350 -0.003 0.000 0.289 594 T C -0.504 174.076 174.700 -0.201 0.000 1.054 594 T CA -1.002 61.010 62.100 -0.145 0.000 1.015 594 T CB 0.936 69.725 68.868 -0.130 0.000 1.167 594 T HN -0.023 nan 8.240 nan 0.000 0.526 595 N N 0.829 119.281 118.700 -0.413 0.000 2.365 595 N HA 0.322 5.060 4.740 -0.003 0.000 0.265 595 N C 1.463 176.773 175.510 -0.333 0.000 1.288 595 N CA 1.743 54.328 53.050 -0.776 0.000 0.869 595 N CB 0.268 37.691 38.487 -1.774 0.000 1.071 595 N HN 1.235 nan 8.380 nan 0.000 0.480 596 G N 1.118 109.971 108.800 0.088 0.000 2.179 596 G HA2 -0.277 3.681 3.960 -0.003 0.000 0.220 596 G HA3 -0.277 3.681 3.960 -0.003 0.000 0.220 596 G C 0.212 175.192 174.900 0.135 0.000 0.990 596 G CA 0.095 45.352 45.100 0.260 0.000 0.646 596 G HN 0.608 nan 8.290 nan 0.000 0.517 597 T N 2.509 117.123 114.554 0.100 0.000 2.871 597 T HA 0.301 4.649 4.350 -0.003 0.000 0.296 597 T C 0.788 175.576 174.700 0.146 0.000 0.998 597 T CA 0.564 62.727 62.100 0.105 0.000 1.162 597 T CB 0.578 69.490 68.868 0.074 0.000 0.947 597 T HN 0.395 nan 8.240 nan 0.000 0.536 598 K N 2.365 122.854 120.400 0.147 0.000 2.401 598 K HA 0.273 4.592 4.320 -0.003 0.000 0.278 598 K C -0.395 176.318 176.600 0.189 0.000 1.018 598 K CA -0.380 55.987 56.287 0.134 0.000 0.981 598 K CB 0.633 33.175 32.500 0.069 0.000 0.933 598 K HN 0.283 nan 8.250 nan 0.000 0.477 599 V N 4.626 124.644 119.914 0.174 0.000 2.370 599 V HA 0.262 4.380 4.120 -0.003 0.000 0.283 599 V C 0.073 176.272 176.094 0.176 0.000 1.023 599 V CA -0.618 61.802 62.300 0.200 0.000 0.857 599 V CB 1.060 32.971 31.823 0.146 0.000 0.985 599 V HN 0.623 nan 8.190 nan 0.000 0.443 600 V N 3.913 123.973 119.914 0.243 0.000 3.158 600 V HA 0.742 4.860 4.120 -0.003 0.000 0.311 600 V C -0.335 175.961 176.094 0.337 0.000 1.181 600 V CA -1.130 61.335 62.300 0.275 0.000 1.054 600 V CB 2.202 34.220 31.823 0.325 0.000 1.085 600 V HN 0.768 nan 8.190 nan 0.000 0.446 601 I N -1.118 119.667 120.570 0.357 0.000 2.488 601 I HA 0.684 4.852 4.170 -0.003 0.000 0.299 601 I C -0.653 175.740 176.117 0.459 0.000 0.984 601 I CA -0.352 61.177 61.300 0.383 0.000 1.250 601 I CB 1.687 39.878 38.000 0.318 0.000 1.389 601 I HN 0.876 nan 8.210 nan 0.000 0.488 602 W N 3.673 125.099 121.300 0.210 0.000 3.248 602 W HA 0.277 4.935 4.660 -0.003 0.000 0.311 602 W C -1.278 175.336 176.519 0.159 0.000 1.258 602 W CA -0.496 56.958 57.345 0.182 0.000 1.191 602 W CB 2.100 31.671 29.460 0.185 0.000 1.389 602 W HN 0.577 nan 8.180 nan 0.000 0.561 603 D N 2.258 122.699 120.400 0.069 0.000 2.533 603 D HA 0.003 4.641 4.640 -0.003 0.000 0.236 603 D C 0.410 176.892 176.300 0.304 0.000 1.137 603 D CA 0.879 54.971 54.000 0.155 0.000 0.867 603 D CB 0.704 41.545 40.800 0.069 0.000 1.170 603 D HN 0.141 nan 8.370 nan 0.000 0.474 604 c N 3.177 121.906 118.600 0.216 0.000 2.634 604 c HA 0.047 4.615 4.570 -0.003 0.000 0.418 604 c C 1.598 175.792 174.090 0.173 0.000 1.373 604 c CA -0.395 56.051 56.329 0.196 0.000 1.756 604 c CB -0.847 41.752 42.510 0.148 0.000 2.589 604 c HN 0.679 nan 8.230 nan 0.000 0.602 605 N N 0.107 118.898 118.700 0.152 0.000 2.116 605 N HA 0.192 4.930 4.740 -0.003 0.000 0.230 605 N C 0.859 176.409 175.510 0.066 0.000 1.326 605 N CA 0.477 53.597 53.050 0.117 0.000 0.867 605 N CB -0.161 38.408 38.487 0.137 0.000 1.174 605 N HN 0.979 nan 8.380 nan 0.000 0.506 606 G N 0.134 108.968 108.800 0.058 0.000 2.189 606 G HA2 -0.370 3.588 3.960 -0.003 0.000 0.267 606 G HA3 -0.370 3.588 3.960 -0.003 0.000 0.267 606 G C -0.210 174.690 174.900 0.001 0.000 0.975 606 G CA 0.768 45.884 45.100 0.026 0.000 0.644 606 G HN 0.554 nan 8.290 nan 0.000 0.537 607 Q N -0.604 119.192 119.800 -0.006 0.000 2.368 607 Q HA 0.647 4.985 4.340 -0.003 0.000 0.237 607 Q C 1.761 177.717 176.000 -0.075 0.000 0.987 607 Q CA -0.036 55.741 55.803 -0.043 0.000 0.896 607 Q CB 0.791 29.494 28.738 -0.059 0.000 1.241 607 Q HN 0.513 nan 8.270 nan 0.000 0.485 608 A N 1.958 124.719 122.820 -0.099 0.000 2.019 608 A HA -0.199 4.119 4.320 -0.003 0.000 0.219 608 A C 1.506 178.956 177.584 -0.224 0.000 1.164 608 A CA 1.651 53.604 52.037 -0.140 0.000 0.644 608 A CB -0.590 18.336 19.000 -0.123 0.000 0.805 608 A HN 0.872 nan 8.150 nan 0.000 0.449 609 N N -0.323 118.252 118.700 -0.209 0.000 2.515 609 N HA -0.110 4.628 4.740 -0.003 0.000 0.185 609 N C 0.986 176.323 175.510 -0.289 0.000 1.109 609 N CA 0.841 53.728 53.050 -0.271 0.000 0.903 609 N CB -0.328 38.041 38.487 -0.197 0.000 0.969 609 N HN 0.669 nan 8.380 nan 0.000 0.450 610 Q N -0.239 119.450 119.800 -0.185 0.000 2.219 610 Q HA 0.222 4.561 4.340 -0.003 0.000 0.209 610 Q C -0.388 175.546 176.000 -0.109 0.000 0.854 610 Q CA 0.027 55.817 55.803 -0.022 0.000 0.960 610 Q CB 0.687 29.495 28.738 0.117 0.000 1.116 610 Q HN 0.320 nan 8.270 nan 0.000 0.500 611 K N 0.239 120.408 120.400 -0.385 0.000 2.164 611 K HA 0.402 4.720 4.320 -0.003 0.000 0.258 611 K C -1.323 174.965 176.600 -0.521 0.000 0.951 611 K CA -0.316 55.819 56.287 -0.253 0.000 0.844 611 K CB 1.216 33.639 32.500 -0.130 0.000 1.099 611 K HN -0.075 nan 8.250 nan 0.000 0.435 612 W N 1.115 122.480 121.300 0.108 0.000 2.998 612 W HA 0.324 4.982 4.660 -0.003 0.000 0.335 612 W C -0.403 176.206 176.519 0.150 0.000 1.110 612 W CA -0.733 56.670 57.345 0.097 0.000 1.230 612 W CB 1.242 30.737 29.460 0.059 0.000 1.405 612 W HN 0.333 nan 8.180 nan 0.000 0.493 613 N N 3.057 121.920 118.700 0.272 0.000 2.419 613 N HA 0.440 5.179 4.740 -0.003 0.000 0.277 613 N C -0.847 174.722 175.510 0.097 0.000 1.006 613 N CA -0.455 52.702 53.050 0.179 0.000 0.923 613 N CB 1.538 40.095 38.487 0.116 0.000 1.140 613 N HN 0.371 nan 8.380 nan 0.000 0.488 614 I N 2.630 123.195 120.570 -0.008 0.000 2.287 614 I HA 0.147 4.316 4.170 -0.003 0.000 0.290 614 I C 0.041 176.152 176.117 -0.010 0.000 1.069 614 I CA -0.610 60.636 61.300 -0.090 0.000 1.237 614 I CB 0.154 37.974 38.000 -0.301 0.000 1.418 614 I HN 0.172 nan 8.210 nan 0.000 0.481 615 N N 3.365 122.083 118.700 0.031 0.000 2.493 615 N HA 0.097 4.835 4.740 -0.003 0.000 0.275 615 N C 1.208 176.740 175.510 0.036 0.000 1.186 615 N CA -0.193 52.883 53.050 0.043 0.000 0.978 615 N CB 1.453 39.976 38.487 0.061 0.000 1.184 615 N HN 0.543 nan 8.380 nan 0.000 0.487 616 S N -0.417 115.303 115.700 0.034 0.000 2.442 616 S HA -0.173 4.295 4.470 -0.003 0.000 0.236 616 S C 0.845 175.461 174.600 0.028 0.000 1.007 616 S CA 0.979 59.196 58.200 0.028 0.000 0.965 616 S CB -0.240 62.975 63.200 0.026 0.000 0.773 616 S HN 0.696 nan 8.310 nan 0.000 0.504 617 D N 0.454 120.875 120.400 0.034 0.000 2.328 617 D HA 0.244 4.882 4.640 -0.003 0.000 0.226 617 D C 1.378 177.698 176.300 0.033 0.000 1.066 617 D CA 0.548 54.566 54.000 0.030 0.000 0.861 617 D CB -0.624 40.195 40.800 0.031 0.000 0.912 617 D HN 0.565 nan 8.370 nan 0.000 0.521 618 G N 0.177 109.005 108.800 0.046 0.000 2.176 618 G HA2 -0.275 3.683 3.960 -0.003 0.000 0.253 618 G HA3 -0.275 3.683 3.960 -0.003 0.000 0.253 618 G C 0.511 175.488 174.900 0.129 0.000 0.979 618 G CA 0.501 45.638 45.100 0.063 0.000 0.641 618 G HN 0.787 nan 8.290 nan 0.000 0.530 619 T N -0.820 113.812 114.554 0.132 0.000 2.882 619 T HA 0.693 5.041 4.350 -0.003 0.000 0.287 619 T C 0.241 175.062 174.700 0.201 0.000 1.014 619 T CA -0.472 61.754 62.100 0.208 0.000 1.049 619 T CB 2.020 70.983 68.868 0.159 0.000 1.001 619 T HN 0.573 nan 8.240 nan 0.000 0.525 620 I N 2.642 123.351 120.570 0.232 0.000 2.411 620 I HA 0.306 4.474 4.170 -0.003 0.000 0.284 620 I C 0.290 176.549 176.117 0.237 0.000 1.012 620 I CA -0.824 60.546 61.300 0.118 0.000 1.119 620 I CB 1.804 39.712 38.000 -0.153 0.000 1.261 620 I HN 0.881 nan 8.210 nan 0.000 0.448 621 T N 1.707 116.408 114.554 0.245 0.000 2.824 621 T HA 0.288 4.636 4.350 -0.003 0.000 0.280 621 T C -0.124 174.682 174.700 0.177 0.000 0.995 621 T CA -0.866 61.366 62.100 0.220 0.000 1.009 621 T CB 1.828 70.767 68.868 0.118 0.000 0.955 621 T HN 0.482 nan 8.240 nan 0.000 0.452 622 N N 2.381 121.073 118.700 -0.014 0.000 2.475 622 N HA 0.044 4.782 4.740 -0.003 0.000 0.267 622 N C 1.204 176.526 175.510 -0.314 0.000 1.169 622 N CA -0.204 52.525 53.050 -0.535 0.000 0.947 622 N CB 1.172 39.298 38.487 -0.602 0.000 1.061 622 N HN 0.464 nan 8.380 nan 0.000 0.466 623 V N 4.290 123.997 119.914 -0.345 0.000 2.343 623 V HA -0.238 3.880 4.120 -0.003 0.000 0.247 623 V C 2.264 178.256 176.094 -0.169 0.000 1.051 623 V CA 1.725 63.912 62.300 -0.188 0.000 1.036 623 V CB -0.802 30.927 31.823 -0.156 0.000 0.654 623 V HN 0.733 nan 8.190 nan 0.000 0.451 624 N N 0.460 119.029 118.700 -0.219 0.000 2.104 624 N HA -0.160 4.578 4.740 -0.003 0.000 0.190 624 N C 1.532 176.964 175.510 -0.131 0.000 1.024 624 N CA 2.028 54.979 53.050 -0.166 0.000 0.853 624 N CB -0.222 38.153 38.487 -0.187 0.000 1.008 624 N HN 0.456 nan 8.380 nan 0.000 0.424 625 A N -1.663 121.072 122.820 -0.142 0.000 2.035 625 A HA 0.439 4.758 4.320 -0.003 0.000 0.208 625 A C 1.663 179.206 177.584 -0.069 0.000 1.206 625 A CA 0.815 52.791 52.037 -0.102 0.000 0.773 625 A CB -0.464 18.475 19.000 -0.102 0.000 0.878 625 A HN 0.490 nan 8.150 nan 0.000 0.469 626 G N -0.897 107.864 108.800 -0.066 0.000 2.168 626 G HA2 -0.229 3.729 3.960 -0.003 0.000 0.263 626 G HA3 -0.229 3.729 3.960 -0.003 0.000 0.263 626 G C 0.189 175.095 174.900 0.010 0.000 0.977 626 G CA 0.620 45.706 45.100 -0.024 0.000 0.659 626 G HN 0.460 nan 8.290 nan 0.000 0.533 627 L N -0.378 120.852 121.223 0.011 0.000 2.421 627 L HA 0.533 4.872 4.340 -0.003 0.000 0.263 627 L C 0.963 177.920 176.870 0.146 0.000 1.122 627 L CA -1.039 53.841 54.840 0.067 0.000 0.804 627 L CB 1.266 43.353 42.059 0.047 0.000 1.150 627 L HN 0.177 nan 8.230 nan 0.000 0.457 628 c N 2.015 120.740 118.600 0.208 0.000 2.401 628 c HA 0.337 4.905 4.570 -0.003 0.000 0.365 628 c C 0.390 174.677 174.090 0.329 0.000 1.250 628 c CA -0.714 55.776 56.329 0.267 0.000 2.131 628 c CB 0.937 43.603 42.510 0.260 0.000 2.445 628 c HN 0.489 nan 8.230 nan 0.000 0.550 629 L N 4.612 126.032 121.223 0.328 0.000 2.462 629 L HA 0.282 4.620 4.340 -0.003 0.000 0.272 629 L C -0.000 177.156 176.870 0.477 0.000 1.166 629 L CA 1.318 56.306 54.840 0.246 0.000 0.880 629 L CB 0.023 41.960 42.059 -0.203 0.000 1.142 629 L HN 0.672 nan 8.230 nan 0.000 0.473 630 D N 4.463 125.122 120.400 0.431 0.000 2.936 630 D HA 0.391 5.029 4.640 -0.003 0.000 0.238 630 D C -1.274 175.241 176.300 0.358 0.000 1.248 630 D CA -0.451 53.787 54.000 0.397 0.000 0.903 630 D CB 2.049 43.060 40.800 0.351 0.000 1.544 630 D HN 0.720 nan 8.370 nan 0.000 0.543 631 A N 4.052 127.037 122.820 0.274 0.000 2.376 631 A HA 0.202 4.520 4.320 -0.003 0.000 0.298 631 A C -0.351 177.295 177.584 0.104 0.000 1.271 631 A CA -0.421 51.738 52.037 0.203 0.000 0.926 631 A CB -0.333 18.728 19.000 0.101 0.000 1.141 631 A HN 0.555 nan 8.150 nan 0.000 0.539 632 Y N 3.638 123.954 120.300 0.028 0.000 2.805 632 Y HA -0.045 4.503 4.550 -0.003 0.000 0.331 632 Y C 1.089 176.924 175.900 -0.108 0.000 1.241 632 Y CA 1.661 59.733 58.100 -0.048 0.000 1.546 632 Y CB 0.091 38.563 38.460 0.020 0.000 1.248 632 Y HN 0.940 nan 8.280 nan 0.000 0.559 633 N N 3.233 121.416 118.700 -0.862 0.000 2.800 633 N HA -0.258 4.480 4.740 -0.003 0.000 0.250 633 N C 0.321 175.608 175.510 -0.372 0.000 1.078 633 N CA 1.376 53.997 53.050 -0.715 0.000 0.804 633 N CB -1.526 36.554 38.487 -0.678 0.000 1.135 633 N HN 1.348 nan 8.380 nan 0.000 0.565 634 A N -2.669 119.973 122.820 -0.295 0.000 2.799 634 A HA -0.050 4.268 4.320 -0.003 0.000 0.287 634 A C 0.951 178.447 177.584 -0.146 0.000 1.484 634 A CA 2.042 53.960 52.037 -0.198 0.000 0.813 634 A CB -2.039 16.842 19.000 -0.198 0.000 1.009 634 A HN 1.621 nan 8.150 nan 0.000 0.545 635 A N -0.705 122.044 122.820 -0.118 0.000 2.425 635 A HA 0.599 4.918 4.320 -0.003 0.000 0.242 635 A C 1.405 178.955 177.584 -0.057 0.000 1.077 635 A CA 0.960 52.954 52.037 -0.072 0.000 0.781 635 A CB 0.132 19.113 19.000 -0.032 0.000 1.020 635 A HN 1.801 nan 8.150 nan 0.000 0.494 636 T N -1.783 112.737 114.554 -0.058 0.000 3.004 636 T HA 0.529 4.878 4.350 -0.003 0.000 0.266 636 T C 0.677 175.342 174.700 -0.059 0.000 0.986 636 T CA 0.566 62.631 62.100 -0.059 0.000 0.902 636 T CB -0.309 68.515 68.868 -0.073 0.000 1.118 636 T HN 1.244 nan 8.240 nan 0.000 0.522 637 A N 2.170 124.951 122.820 -0.066 0.000 2.313 637 A HA 0.547 4.865 4.320 -0.003 0.000 0.261 637 A C 0.253 177.751 177.584 -0.143 0.000 1.090 637 A CA -0.641 51.331 52.037 -0.108 0.000 0.807 637 A CB -0.096 18.844 19.000 -0.100 0.000 1.055 637 A HN 0.373 nan 8.150 nan 0.000 0.492 638 N N 0.102 118.616 118.700 -0.310 0.000 2.292 638 N HA 0.249 4.988 4.740 -0.003 0.000 0.258 638 N C 1.169 176.526 175.510 -0.255 0.000 1.261 638 N CA 1.818 54.529 53.050 -0.565 0.000 0.845 638 N CB 0.472 38.204 38.487 -1.258 0.000 1.064 638 N HN 1.340 nan 8.380 nan 0.000 0.471 639 G N 0.872 109.709 108.800 0.062 0.000 2.175 639 G HA2 -0.286 3.672 3.960 -0.003 0.000 0.244 639 G HA3 -0.286 3.672 3.960 -0.003 0.000 0.244 639 G C 0.137 175.127 174.900 0.151 0.000 0.982 639 G CA 0.333 45.568 45.100 0.224 0.000 0.641 639 G HN 0.632 nan 8.290 nan 0.000 0.527 640 T N 2.408 117.035 114.554 0.122 0.000 2.829 640 T HA 0.443 4.791 4.350 -0.003 0.000 0.293 640 T C 0.857 175.661 174.700 0.174 0.000 0.970 640 T CA 0.789 62.967 62.100 0.131 0.000 1.168 640 T CB 1.036 69.966 68.868 0.103 0.000 0.911 640 T HN 0.380 nan 8.240 nan 0.000 0.535 641 S N 3.518 119.319 115.700 0.168 0.000 2.564 641 S HA 0.307 4.775 4.470 -0.003 0.000 0.278 641 S C 0.316 175.029 174.600 0.188 0.000 1.333 641 S CA -0.763 57.526 58.200 0.149 0.000 1.048 641 S CB 0.307 63.548 63.200 0.069 0.000 0.900 641 S HN 0.442 nan 8.310 nan 0.000 0.505 642 L N 3.524 124.847 121.223 0.166 0.000 2.289 642 L HA 0.662 5.000 4.340 -0.003 0.000 0.285 642 L C 0.107 177.077 176.870 0.168 0.000 1.049 642 L CA -0.694 54.251 54.840 0.176 0.000 0.804 642 L CB 0.874 42.985 42.059 0.086 0.000 1.195 642 L HN 0.493 nan 8.230 nan 0.000 0.428 643 V N 1.092 121.146 119.914 0.233 0.000 3.156 643 V HA 0.571 4.689 4.120 -0.003 0.000 0.310 643 V C -0.465 175.813 176.094 0.307 0.000 1.234 643 V CA -1.085 61.369 62.300 0.257 0.000 1.065 643 V CB 2.186 34.196 31.823 0.313 0.000 1.088 643 V HN 0.548 nan 8.190 nan 0.000 0.451 644 L N 1.566 122.967 121.223 0.297 0.000 2.357 644 L HA 0.562 4.900 4.340 -0.003 0.000 0.273 644 L C -0.638 176.460 176.870 0.380 0.000 1.080 644 L CA -0.153 54.864 54.840 0.295 0.000 0.803 644 L CB 1.503 43.671 42.059 0.181 0.000 1.174 644 L HN 0.759 nan 8.230 nan 0.000 0.443 645 W N 1.463 122.848 121.300 0.142 0.000 3.296 645 W HA 0.163 4.821 4.660 -0.003 0.000 0.314 645 W C -0.422 176.155 176.519 0.096 0.000 1.238 645 W CA -0.633 56.784 57.345 0.120 0.000 1.193 645 W CB 2.225 31.765 29.460 0.133 0.000 1.383 645 W HN 0.404 nan 8.180 nan 0.000 0.545 646 S N 2.354 118.064 115.700 0.016 0.000 2.593 646 S HA 0.026 4.495 4.470 -0.003 0.000 0.300 646 S C 0.359 175.108 174.600 0.249 0.000 1.267 646 S CA 0.457 58.717 58.200 0.101 0.000 1.065 646 S CB -0.235 62.976 63.200 0.018 0.000 0.807 646 S HN 0.377 nan 8.310 nan 0.000 0.499 647 c N 4.063 122.762 118.600 0.164 0.000 2.644 647 c HA 0.608 5.176 4.570 -0.003 0.000 0.417 647 c C 1.614 175.781 174.090 0.128 0.000 1.304 647 c CA 0.383 56.805 56.329 0.155 0.000 2.035 647 c CB -0.289 42.291 42.510 0.116 0.000 2.673 647 c HN 1.251 nan 8.230 nan 0.000 0.602 648 G N 2.022 110.887 108.800 0.109 0.000 2.145 648 G HA2 -0.183 3.775 3.960 -0.003 0.000 0.145 648 G HA3 -0.183 3.775 3.960 -0.003 0.000 0.145 648 G C 0.431 175.365 174.900 0.056 0.000 1.017 648 G CA 0.448 45.590 45.100 0.071 0.000 0.682 648 G HN 0.970 nan 8.290 nan 0.000 0.504 649 T N -2.196 112.390 114.554 0.054 0.000 3.022 649 T HA 0.587 4.935 4.350 -0.003 0.000 0.250 649 T C 1.350 176.025 174.700 -0.042 0.000 1.060 649 T CA 1.299 63.405 62.100 0.009 0.000 1.013 649 T CB 1.216 70.076 68.868 -0.012 0.000 0.982 649 T HN 2.188 nan 8.240 nan 0.000 0.508 650 G N 0.474 109.247 108.800 -0.044 0.000 2.369 650 G HA2 0.149 4.107 3.960 -0.003 0.000 0.307 650 G HA3 0.149 4.107 3.960 -0.003 0.000 0.307 650 G C -0.861 173.973 174.900 -0.110 0.000 1.327 650 G CA -0.124 44.930 45.100 -0.077 0.000 0.963 650 G HN -0.051 nan 8.290 nan 0.000 0.590 651 D N 0.420 120.740 120.400 -0.134 0.000 2.311 651 D HA -0.100 4.538 4.640 -0.003 0.000 0.212 651 D C 2.241 178.367 176.300 -0.290 0.000 0.972 651 D CA 1.273 55.159 54.000 -0.189 0.000 0.887 651 D CB 0.018 40.722 40.800 -0.160 0.000 0.915 651 D HN 0.511 nan 8.370 nan 0.000 0.497 652 N N 0.406 118.955 118.700 -0.252 0.000 2.571 652 N HA -0.157 4.582 4.740 -0.003 0.000 0.189 652 N C 0.756 176.082 175.510 -0.306 0.000 1.154 652 N CA 0.448 53.318 53.050 -0.299 0.000 0.907 652 N CB -0.098 38.273 38.487 -0.194 0.000 0.977 652 N HN 0.307 nan 8.380 nan 0.000 0.449 653 Q N -0.482 119.164 119.800 -0.255 0.000 2.171 653 Q HA 0.248 4.586 4.340 -0.003 0.000 0.218 653 Q C -0.437 175.425 176.000 -0.231 0.000 0.822 653 Q CA -0.086 55.668 55.803 -0.083 0.000 0.987 653 Q CB 0.912 29.691 28.738 0.067 0.000 1.144 653 Q HN 0.272 nan 8.270 nan 0.000 0.494 654 K N 0.328 120.387 120.400 -0.568 0.000 2.207 654 K HA 0.467 4.785 4.320 -0.003 0.000 0.255 654 K C -1.320 174.833 176.600 -0.745 0.000 0.941 654 K CA -0.279 55.751 56.287 -0.428 0.000 0.825 654 K CB 1.364 33.728 32.500 -0.227 0.000 1.119 654 K HN -0.086 nan 8.250 nan 0.000 0.430 655 W N 0.008 121.285 121.300 -0.038 0.000 3.083 655 W HA 0.272 4.930 4.660 -0.003 0.000 0.333 655 W C -0.411 176.079 176.519 -0.048 0.000 1.217 655 W CA -0.719 56.595 57.345 -0.052 0.000 1.170 655 W CB 1.627 31.035 29.460 -0.087 0.000 1.437 655 W HN 0.480 nan 8.180 nan 0.000 0.557 656 T N -1.325 113.354 114.554 0.209 0.000 2.829 656 T HA 0.666 5.015 4.350 -0.003 0.000 0.280 656 T C -0.980 173.778 174.700 0.096 0.000 0.999 656 T CA -0.773 61.395 62.100 0.113 0.000 0.983 656 T CB 1.526 70.438 68.868 0.072 0.000 0.968 656 T HN 0.296 nan 8.240 nan 0.000 0.446 657 V N 2.484 122.421 119.914 0.038 0.000 2.575 657 V HA 0.356 4.474 4.120 -0.003 0.000 0.281 657 V C 0.503 176.605 176.094 0.012 0.000 1.087 657 V CA -0.582 61.718 62.300 0.000 0.000 1.193 657 V CB -0.506 31.258 31.823 -0.099 0.000 1.426 657 V HN 1.230 nan 8.190 nan 0.000 0.623 658 T N 0.000 114.576 114.554 0.037 0.000 3.816 658 T HA 0.000 4.348 4.350 -0.003 0.000 0.228 658 T CA 0.000 62.124 62.100 0.040 0.000 1.349 658 T CB 0.000 68.890 68.868 0.037 0.000 0.612 658 T HN 0.000 nan 8.240 nan 0.000 0.658