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 3nwd_1_D DATA FIRST_RESID 104 DATA SEQUENCE IKAENTDANF YVcPPPTGAT VVQFEQPRRc PTRPEGQNYT EGIAVVFKEN DATA SEQUENCE IAPYKFKATM YYKDVTVSQV WFGHRSSQFM GIFEDRAPVP FEEVIDKINA DATA SEQUENCE KGVcRSTAKY VRNNLETTAF HRDDHETDME LKPANAATRT SRGWHTTDLK DATA SEQUENCE YNPSRVEAXX RYGTTVNcIV EEVDARSVYP YDEFVLATGD FVYMSPFYGY DATA SEQUENCE REGSHTEHTS YAADRFKQVD GFYARDLTTK ARATAPTTRN LLTTPKFTVA DATA SEQUENCE WDWVPKRPSV cTMTKWQEVD EMLRSEYGGS FRFSSDAIST TFTTNLTEYP DATA SEQUENCE LSRVDLGDcI GKDARDAMDR IFARRYNATH IKVGQPQYYL ANGGFLIAYQ DATA SEQUENCE PLLSNTLAEL YVREHLREQS RKPPXXXXXX XXXXXXXXVE RIKTTSSIEF DATA SEQUENCE ARLQFTYNHI QRHVNDMLGR VAIAWcELQN HELTLWNEAR KLNPNAIASV DATA SEQUENCE TVGRRVSARM LGDVMAVSTc VPVAADNVIV QNSMRISSRP GAcYSRPLVS DATA SEQUENCE FRYEDQGPLV EGQLGENNEL RLTRDAIEPc TVGHRRYFTF GGGYVYFEEY DATA SEQUENCE AYSHQLSRAD ITTVSTFIDL NITMLEDHEF VPLEVYTRHE IKDSGLLDYT DATA SEQUENCE EVQRRNQLHD LRFADIDTVI HA 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 104 I HA 0.000 nan 4.170 nan 0.000 0.288 104 I C 0.000 176.134 176.117 0.028 0.000 1.063 104 I CA 0.000 61.237 61.300 -0.106 0.000 1.566 104 I CB 0.000 37.831 38.000 -0.282 0.000 1.214 105 K N 2.705 123.153 120.400 0.080 0.000 2.731 105 K HA 0.793 5.113 4.320 -0.000 0.000 0.284 105 K C 0.254 177.043 176.600 0.315 0.000 1.027 105 K CA -0.537 55.843 56.287 0.156 0.000 1.040 105 K CB 0.835 33.385 32.500 0.082 0.000 1.334 105 K HN 0.575 nan 8.250 nan 0.000 0.498 106 A N 1.190 124.119 122.820 0.182 0.000 2.291 106 A HA 0.128 4.448 4.320 -0.000 0.000 0.311 106 A C 0.723 178.329 177.584 0.036 0.000 1.224 106 A CA -0.488 51.577 52.037 0.046 0.000 0.821 106 A CB 1.065 19.734 19.000 -0.551 0.000 1.172 106 A HN 0.865 nan 8.150 nan 0.000 0.494 107 E N 2.925 123.200 120.200 0.126 0.000 2.012 107 E HA -0.192 4.158 4.350 -0.000 0.000 0.197 107 E C -0.074 176.544 176.600 0.031 0.000 1.007 107 E CA 1.322 57.780 56.400 0.096 0.000 0.816 107 E CB -0.110 29.679 29.700 0.147 0.000 0.762 107 E HN 0.820 nan 8.360 nan 0.000 0.451 108 N N 0.145 118.850 118.700 0.007 0.000 2.442 108 N HA 0.010 4.750 4.740 -0.000 0.000 0.265 108 N C -0.201 175.249 175.510 -0.100 0.000 1.138 108 N CA 0.495 53.523 53.050 -0.035 0.000 0.956 108 N CB 1.306 39.774 38.487 -0.031 0.000 1.067 108 N HN 0.146 nan 8.380 nan 0.000 0.474 109 T N -2.851 111.662 114.554 -0.069 0.000 3.200 109 T HA 0.034 4.384 4.350 -0.000 0.000 0.284 109 T C -0.105 174.554 174.700 -0.069 0.000 1.009 109 T CA -0.627 61.429 62.100 -0.074 0.000 0.907 109 T CB -0.188 68.656 68.868 -0.040 0.000 1.120 109 T HN 0.494 nan 8.240 nan 0.000 0.534 110 D N 1.779 122.137 120.400 -0.071 0.000 2.994 110 D HA 0.515 5.155 4.640 -0.000 0.000 0.240 110 D C 0.314 176.561 176.300 -0.088 0.000 1.195 110 D CA -0.308 53.655 54.000 -0.061 0.000 0.957 110 D CB 0.080 40.855 40.800 -0.041 0.000 1.105 110 D HN 0.554 nan 8.370 nan 0.000 0.477 111 A N 0.835 123.584 122.820 -0.118 0.000 2.511 111 A HA 0.566 4.886 4.320 -0.000 0.000 0.293 111 A C -1.544 175.921 177.584 -0.198 0.000 1.098 111 A CA -1.036 50.903 52.037 -0.164 0.000 0.643 111 A CB 0.909 19.763 19.000 -0.244 0.000 1.302 111 A HN 0.276 nan 8.150 nan 0.000 0.446 112 N N -1.386 117.151 118.700 -0.272 0.000 2.469 112 N HA 0.817 5.557 4.740 -0.000 0.000 0.286 112 N C -1.452 173.685 175.510 -0.622 0.000 1.275 112 N CA -0.357 52.486 53.050 -0.344 0.000 0.790 112 N CB 1.512 39.804 38.487 -0.324 0.000 1.446 112 N HN 0.471 nan 8.380 nan 0.000 0.501 113 F N 0.222 119.846 119.950 -0.544 0.000 2.598 113 F HA 0.588 5.115 4.527 -0.000 0.000 0.327 113 F C -0.918 174.379 175.800 -0.837 0.000 1.057 113 F CA -0.395 57.313 58.000 -0.487 0.000 0.957 113 F CB 1.297 40.114 39.000 -0.304 0.000 1.278 113 F HN 0.314 nan 8.300 nan 0.000 0.484 114 Y N -0.306 120.057 120.300 0.105 0.000 2.513 114 Y HA 0.566 5.116 4.550 -0.000 0.000 0.340 114 Y C -1.100 174.778 175.900 -0.036 0.000 1.055 114 Y CA -1.295 56.819 58.100 0.023 0.000 1.020 114 Y CB 1.838 40.312 38.460 0.023 0.000 1.301 114 Y HN 0.136 nan 8.280 nan 0.000 0.453 115 V N 2.097 122.082 119.914 0.119 0.000 2.313 115 V HA 0.256 4.376 4.120 -0.000 0.000 0.278 115 V C -0.735 175.439 176.094 0.134 0.000 1.017 115 V CA -0.674 61.669 62.300 0.071 0.000 0.823 115 V CB 0.623 32.506 31.823 0.099 0.000 1.010 115 V HN 0.913 nan 8.190 nan 0.000 0.443 116 c N 7.263 125.929 118.600 0.111 0.000 2.248 116 c HA 0.452 5.022 4.570 -0.000 0.000 0.320 116 c C -2.086 172.052 174.090 0.081 0.000 1.065 116 c CA -1.413 54.971 56.329 0.091 0.000 1.558 116 c CB -0.285 42.266 42.510 0.069 0.000 1.787 116 c HN 0.611 nan 8.230 nan 0.000 0.426 117 P HA 0.264 nan 4.420 nan 0.000 0.278 117 P C -2.495 174.839 177.300 0.056 0.000 1.238 117 P CA -1.218 61.927 63.100 0.075 0.000 0.794 117 P CB -0.135 31.614 31.700 0.081 0.000 0.955 118 P HA -0.067 nan 4.420 nan 0.000 0.257 118 P C -2.089 175.231 177.300 0.034 0.000 1.144 118 P CA -0.065 63.058 63.100 0.039 0.000 0.761 118 P CB -0.999 30.722 31.700 0.035 0.000 0.734 119 P HA 0.039 nan 4.420 nan 0.000 0.273 119 P C -0.299 177.012 177.300 0.019 0.000 1.250 119 P CA 0.068 63.183 63.100 0.024 0.000 0.793 119 P CB 0.389 32.102 31.700 0.021 0.000 1.011 120 T N -3.840 110.724 114.554 0.016 0.000 2.902 120 T HA 0.458 4.808 4.350 -0.000 0.000 0.283 120 T C 1.519 176.223 174.700 0.007 0.000 1.009 120 T CA -0.375 61.733 62.100 0.012 0.000 1.051 120 T CB 1.051 69.926 68.868 0.012 0.000 0.999 120 T HN 0.452 nan 8.240 nan 0.000 0.474 121 G N 0.364 109.167 108.800 0.005 0.000 2.625 121 G HA2 0.132 4.092 3.960 -0.000 0.000 0.214 121 G HA3 0.132 4.092 3.960 -0.000 0.000 0.214 121 G C 1.538 176.438 174.900 0.001 0.000 1.132 121 G CA 0.400 45.501 45.100 0.001 0.000 0.782 121 G HN 1.078 nan 8.290 nan 0.000 0.538 122 A N 0.355 123.177 122.820 0.003 0.000 1.948 122 A HA 0.060 4.380 4.320 -0.000 0.000 0.220 122 A C 1.740 179.325 177.584 0.002 0.000 1.177 122 A CA 1.885 53.924 52.037 0.003 0.000 0.636 122 A CB -0.560 18.442 19.000 0.004 0.000 0.815 122 A HN 0.653 nan 8.150 nan 0.000 0.449 123 T N -1.694 112.861 114.554 0.003 0.000 2.847 123 T HA 0.579 4.929 4.350 -0.000 0.000 0.291 123 T C -0.719 173.981 174.700 -0.001 0.000 0.998 123 T CA -0.154 61.947 62.100 0.002 0.000 0.967 123 T CB 1.003 69.874 68.868 0.005 0.000 0.954 123 T HN 0.981 nan 8.240 nan 0.000 0.441 124 V N 1.214 121.125 119.914 -0.005 0.000 2.735 124 V HA 0.975 5.095 4.120 -0.000 0.000 0.310 124 V C -0.037 176.048 176.094 -0.015 0.000 1.061 124 V CA -0.992 61.300 62.300 -0.013 0.000 0.913 124 V CB 1.179 32.991 31.823 -0.020 0.000 1.005 124 V HN 1.111 nan 8.190 nan 0.000 0.428 125 V N 1.711 121.609 119.914 -0.025 0.000 3.158 125 V HA 0.920 5.040 4.120 -0.000 0.000 0.315 125 V C -0.778 175.278 176.094 -0.064 0.000 1.148 125 V CA -0.609 61.680 62.300 -0.019 0.000 1.042 125 V CB 1.757 33.591 31.823 0.018 0.000 1.101 125 V HN 1.377 nan 8.190 nan 0.000 0.448 126 Q N 0.280 120.060 119.800 -0.034 0.000 2.340 126 Q HA 0.565 4.905 4.340 -0.000 0.000 0.276 126 Q C -1.481 174.569 176.000 0.082 0.000 1.048 126 Q CA -0.745 55.011 55.803 -0.079 0.000 0.832 126 Q CB 2.157 30.866 28.738 -0.048 0.000 1.373 126 Q HN 0.698 nan 8.270 nan 0.000 0.409 127 F N 0.932 120.871 119.950 -0.019 0.000 2.450 127 F HA 0.102 4.629 4.527 -0.000 0.000 0.339 127 F C 1.070 176.849 175.800 -0.036 0.000 1.146 127 F CA -0.609 57.368 58.000 -0.037 0.000 1.267 127 F CB 0.765 39.746 39.000 -0.031 0.000 1.178 127 F HN 0.663 nan 8.300 nan 0.000 0.585 128 E N 2.308 122.594 120.200 0.144 0.000 2.344 128 E HA 0.001 4.351 4.350 -0.000 0.000 0.270 128 E C -0.512 176.121 176.600 0.056 0.000 1.021 128 E CA -0.898 55.537 56.400 0.059 0.000 0.887 128 E CB 0.693 30.396 29.700 0.004 0.000 0.997 128 E HN 0.393 nan 8.360 nan 0.000 0.429 129 Q N 3.443 123.270 119.800 0.046 0.000 2.443 129 Q HA 0.247 4.587 4.340 -0.000 0.000 0.232 129 Q C -2.094 173.920 176.000 0.023 0.000 1.026 129 Q CA -1.872 53.954 55.803 0.038 0.000 0.924 129 Q CB -0.269 28.487 28.738 0.030 0.000 1.256 129 Q HN 0.502 nan 8.270 nan 0.000 0.519 130 P HA -0.009 nan 4.420 nan 0.000 0.264 130 P C -0.395 176.916 177.300 0.018 0.000 1.183 130 P CA 0.544 63.652 63.100 0.015 0.000 0.763 130 P CB 0.504 32.209 31.700 0.008 0.000 0.807 131 R N 1.898 122.412 120.500 0.023 0.000 2.596 131 R HA 0.422 4.762 4.340 -0.000 0.000 0.267 131 R C 0.440 176.759 176.300 0.032 0.000 1.026 131 R CA -0.956 55.161 56.100 0.028 0.000 1.087 131 R CB 0.908 31.229 30.300 0.035 0.000 1.132 131 R HN 0.386 nan 8.270 nan 0.000 0.531 132 R N 1.206 121.724 120.500 0.030 0.000 2.288 132 R HA 0.117 4.457 4.340 -0.000 0.000 0.330 132 R C -0.713 175.609 176.300 0.037 0.000 1.069 132 R CA -0.240 55.878 56.100 0.030 0.000 0.941 132 R CB 0.149 30.463 30.300 0.023 0.000 0.998 132 R HN 0.568 nan 8.270 nan 0.000 0.452 133 c N 6.947 125.573 118.600 0.042 0.000 2.637 133 c HA 0.207 4.777 4.570 -0.000 0.000 0.418 133 c C -1.598 172.516 174.090 0.039 0.000 1.319 133 c CA -1.212 55.146 56.329 0.049 0.000 1.949 133 c CB -0.037 42.506 42.510 0.054 0.000 2.639 133 c HN 0.685 nan 8.230 nan 0.000 0.594 134 P HA 0.182 nan 4.420 nan 0.000 0.269 134 P C -0.186 177.128 177.300 0.024 0.000 1.211 134 P CA 0.330 63.447 63.100 0.028 0.000 0.781 134 P CB 0.299 32.016 31.700 0.027 0.000 0.877 135 T N -0.921 113.643 114.554 0.017 0.000 2.841 135 T HA 0.464 4.814 4.350 -0.000 0.000 0.283 135 T C -0.005 174.700 174.700 0.009 0.000 1.000 135 T CA -1.215 60.893 62.100 0.014 0.000 0.977 135 T CB 1.083 69.959 68.868 0.013 0.000 0.979 135 T HN 0.170 nan 8.240 nan 0.000 0.446 136 R N 2.534 123.038 120.500 0.006 0.000 2.585 136 R HA 0.240 4.580 4.340 -0.000 0.000 0.275 136 R C -2.099 174.201 176.300 0.001 0.000 1.018 136 R CA -0.940 55.161 56.100 0.001 0.000 1.072 136 R CB -0.342 29.957 30.300 -0.001 0.000 0.953 136 R HN 0.525 nan 8.270 nan 0.000 0.419 137 P HA 0.003 nan 4.420 nan 0.000 0.272 137 P C 0.425 177.722 177.300 -0.005 0.000 1.230 137 P CA -0.330 62.770 63.100 0.000 0.000 0.788 137 P CB 0.580 32.282 31.700 0.004 0.000 0.949 138 E N 0.623 120.819 120.200 -0.007 0.000 2.331 138 E HA -0.123 4.227 4.350 -0.000 0.000 0.199 138 E C 1.303 177.887 176.600 -0.026 0.000 1.008 138 E CA 1.517 57.909 56.400 -0.014 0.000 0.843 138 E CB -0.319 29.372 29.700 -0.016 0.000 0.761 138 E HN 0.763 nan 8.360 nan 0.000 0.507 139 G N 0.666 109.449 108.800 -0.029 0.000 3.050 139 G HA2 -0.248 3.712 3.960 -0.000 0.000 0.234 139 G HA3 -0.248 3.712 3.960 -0.000 0.000 0.234 139 G C -0.563 174.280 174.900 -0.096 0.000 1.521 139 G CA 0.080 45.152 45.100 -0.047 0.000 1.090 139 G HN 0.219 nan 8.290 nan 0.000 0.556 140 Q N 0.577 120.259 119.800 -0.197 0.000 2.743 140 Q HA 0.358 4.698 4.340 -0.000 0.000 0.219 140 Q C -1.401 174.186 176.000 -0.690 0.000 0.779 140 Q CA -0.390 55.172 55.803 -0.401 0.000 1.089 140 Q CB 0.101 28.554 28.738 -0.475 0.000 1.603 140 Q HN 0.653 nan 8.270 nan 0.000 0.511 141 N N 3.513 121.966 118.700 -0.412 0.000 2.452 141 N HA 0.147 4.887 4.740 -0.000 0.000 0.266 141 N C -0.974 174.302 175.510 -0.389 0.000 1.175 141 N CA 0.437 53.301 53.050 -0.310 0.000 0.945 141 N CB 0.259 38.672 38.487 -0.123 0.000 1.063 141 N HN 0.429 nan 8.380 nan 0.000 0.472 142 Y N 0.136 120.428 120.300 -0.013 0.000 2.330 142 Y HA 0.214 4.764 4.550 -0.000 0.000 0.336 142 Y C 0.836 176.724 175.900 -0.019 0.000 1.036 142 Y CA -0.814 57.265 58.100 -0.034 0.000 1.125 142 Y CB 1.193 39.632 38.460 -0.036 0.000 1.194 142 Y HN 0.234 nan 8.280 nan 0.000 0.469 143 T N 3.293 117.905 114.554 0.097 0.000 2.747 143 T HA 0.128 4.478 4.350 -0.000 0.000 0.301 143 T C -0.106 174.665 174.700 0.118 0.000 0.952 143 T CA -0.776 61.368 62.100 0.074 0.000 0.983 143 T CB 0.152 69.029 68.868 0.016 0.000 0.930 143 T HN 0.572 nan 8.240 nan 0.000 0.494 144 E N 1.750 122.016 120.200 0.110 0.000 2.415 144 E HA 0.432 4.782 4.350 -0.000 0.000 0.262 144 E C 0.401 177.014 176.600 0.021 0.000 1.038 144 E CA 0.060 56.503 56.400 0.071 0.000 0.921 144 E CB 0.406 30.132 29.700 0.043 0.000 0.950 144 E HN 0.880 nan 8.360 nan 0.000 0.438 145 G N 2.469 111.251 108.800 -0.029 0.000 2.596 145 G HA2 0.327 4.287 3.960 -0.000 0.000 0.296 145 G HA3 0.327 4.287 3.960 -0.000 0.000 0.296 145 G C -1.165 173.603 174.900 -0.220 0.000 1.513 145 G CA -0.888 44.033 45.100 -0.298 0.000 0.851 145 G HN 0.460 nan 8.290 nan 0.000 0.548 146 I N 0.820 121.162 120.570 -0.380 0.000 2.440 146 I HA 0.649 4.819 4.170 -0.000 0.000 0.294 146 I C 0.645 176.693 176.117 -0.116 0.000 0.995 146 I CA -0.510 60.695 61.300 -0.158 0.000 1.306 146 I CB 1.742 39.671 38.000 -0.118 0.000 1.407 146 I HN 0.728 nan 8.210 nan 0.000 0.501 147 A N 5.300 128.136 122.820 0.025 0.000 2.539 147 A HA 0.829 5.149 4.320 -0.000 0.000 0.296 147 A C -1.286 176.293 177.584 -0.009 0.000 1.073 147 A CA -0.513 51.561 52.037 0.061 0.000 0.700 147 A CB 1.915 21.025 19.000 0.184 0.000 1.296 147 A HN 0.390 nan 8.150 nan 0.000 0.405 148 V N 1.414 121.323 119.914 -0.009 0.000 2.531 148 V HA 0.468 4.588 4.120 -0.000 0.000 0.301 148 V C -0.560 175.500 176.094 -0.056 0.000 1.034 148 V CA -0.598 61.662 62.300 -0.066 0.000 0.865 148 V CB 1.621 33.433 31.823 -0.019 0.000 0.995 148 V HN 0.688 nan 8.190 nan 0.000 0.424 149 V N 5.625 125.442 119.914 -0.163 0.000 2.370 149 V HA 0.504 4.624 4.120 -0.000 0.000 0.279 149 V C -0.417 175.686 176.094 0.016 0.000 1.029 149 V CA -0.255 62.033 62.300 -0.020 0.000 0.870 149 V CB 0.969 32.777 31.823 -0.026 0.000 0.984 149 V HN 0.632 nan 8.190 nan 0.000 0.451 150 F N 4.135 124.214 119.950 0.214 0.000 2.440 150 F HA 0.708 5.235 4.527 -0.000 0.000 0.328 150 F C 0.459 176.389 175.800 0.217 0.000 1.070 150 F CA -0.652 57.478 58.000 0.216 0.000 1.011 150 F CB 1.637 40.718 39.000 0.134 0.000 1.226 150 F HN 0.444 nan 8.300 nan 0.000 0.491 151 K N -0.237 120.346 120.400 0.304 0.000 2.433 151 K HA 0.422 4.742 4.320 -0.000 0.000 0.252 151 K C -1.118 175.477 176.600 -0.008 0.000 1.015 151 K CA -1.054 55.258 56.287 0.042 0.000 0.860 151 K CB 1.790 34.229 32.500 -0.101 0.000 1.359 151 K HN 0.618 nan 8.250 nan 0.000 0.452 152 E N 1.647 121.767 120.200 -0.134 0.000 2.415 152 E HA -0.084 4.266 4.350 -0.000 0.000 0.260 152 E C -0.697 175.874 176.600 -0.048 0.000 1.016 152 E CA -0.231 56.108 56.400 -0.101 0.000 0.924 152 E CB 0.393 30.001 29.700 -0.154 0.000 0.961 152 E HN 0.485 nan 8.360 nan 0.000 0.459 153 N N 4.945 123.648 118.700 0.005 0.000 2.431 153 N HA -0.017 4.723 4.740 -0.000 0.000 0.265 153 N C 0.537 176.069 175.510 0.038 0.000 1.184 153 N CA 0.100 53.179 53.050 0.049 0.000 0.943 153 N CB 0.416 38.965 38.487 0.103 0.000 1.080 153 N HN 0.634 nan 8.380 nan 0.000 0.477 154 I N 0.471 121.060 120.570 0.031 0.000 4.057 154 I HA 0.467 4.637 4.170 -0.000 0.000 0.334 154 I C 0.479 176.630 176.117 0.057 0.000 1.308 154 I CA -0.560 60.754 61.300 0.024 0.000 1.125 154 I CB 0.232 38.228 38.000 -0.006 0.000 1.034 154 I HN 0.307 nan 8.210 nan 0.000 0.401 155 A N 2.996 125.865 122.820 0.083 0.000 2.363 155 A HA 0.628 4.948 4.320 -0.000 0.000 0.270 155 A C -2.434 175.247 177.584 0.161 0.000 1.121 155 A CA -1.113 50.982 52.037 0.097 0.000 0.800 155 A CB -0.494 18.559 19.000 0.088 0.000 1.052 155 A HN 0.139 nan 8.150 nan 0.000 0.493 156 P HA 0.143 nan 4.420 nan 0.000 0.275 156 P C -0.721 176.758 177.300 0.299 0.000 1.228 156 P CA -0.107 63.139 63.100 0.242 0.000 0.786 156 P CB 0.228 32.015 31.700 0.145 0.000 0.927 157 Y N 3.005 123.515 120.300 0.350 0.000 2.677 157 Y HA 0.035 4.585 4.550 -0.000 0.000 0.335 157 Y C 0.086 176.123 175.900 0.228 0.000 1.162 157 Y CA 0.447 58.687 58.100 0.233 0.000 1.483 157 Y CB 0.055 38.606 38.460 0.151 0.000 1.209 157 Y HN 0.181 nan 8.280 nan 0.000 0.528 158 K N 8.960 129.149 120.400 -0.352 0.000 2.293 158 K HA 0.368 4.688 4.320 -0.000 0.000 0.267 158 K C -1.303 175.063 176.600 -0.390 0.000 1.010 158 K CA -0.523 55.595 56.287 -0.282 0.000 0.875 158 K CB 0.944 33.346 32.500 -0.162 0.000 1.106 158 K HN 0.620 nan 8.250 nan 0.000 0.450 159 F N -0.581 119.066 119.950 -0.505 0.000 2.620 159 F HA 0.599 5.126 4.527 -0.000 0.000 0.320 159 F C -0.759 174.921 175.800 -0.199 0.000 1.069 159 F CA -1.427 56.356 58.000 -0.362 0.000 0.953 159 F CB 1.350 40.153 39.000 -0.328 0.000 1.322 159 F HN 0.028 nan 8.300 nan 0.000 0.479 160 K N 1.497 121.837 120.400 -0.099 0.000 2.156 160 K HA 0.858 5.178 4.320 -0.000 0.000 0.254 160 K C -0.794 175.795 176.600 -0.018 0.000 0.950 160 K CA -0.924 55.280 56.287 -0.138 0.000 0.849 160 K CB 2.030 34.511 32.500 -0.032 0.000 1.100 160 K HN 0.911 nan 8.250 nan 0.000 0.434 161 A N 1.059 123.841 122.820 -0.063 0.000 2.524 161 A HA 0.790 5.110 4.320 -0.000 0.000 0.289 161 A C -1.166 176.457 177.584 0.065 0.000 1.248 161 A CA -0.642 51.447 52.037 0.086 0.000 0.712 161 A CB 1.819 20.836 19.000 0.028 0.000 1.312 161 A HN 0.538 nan 8.150 nan 0.000 0.441 162 T N 1.057 115.675 114.554 0.106 0.000 2.916 162 T HA 0.569 4.919 4.350 -0.000 0.000 0.298 162 T C -0.646 173.963 174.700 -0.153 0.000 1.031 162 T CA -0.282 61.791 62.100 -0.045 0.000 0.993 162 T CB 1.176 70.005 68.868 -0.065 0.000 1.045 162 T HN 0.544 nan 8.240 nan 0.000 0.454 163 M N 2.798 122.245 119.600 -0.255 0.000 2.300 163 M HA 0.493 4.973 4.480 -0.000 0.000 0.348 163 M C -1.455 174.672 176.300 -0.287 0.000 1.151 163 M CA -0.669 54.550 55.300 -0.135 0.000 1.046 163 M CB 1.308 33.866 32.600 -0.071 0.000 1.647 163 M HN 0.630 nan 8.290 nan 0.000 0.451 164 Y N 3.258 123.738 120.300 0.299 0.000 2.363 164 Y HA 0.509 5.059 4.550 -0.000 0.000 0.325 164 Y C -0.806 175.279 175.900 0.309 0.000 0.984 164 Y CA -0.926 57.304 58.100 0.217 0.000 1.248 164 Y CB 0.717 39.263 38.460 0.143 0.000 1.116 164 Y HN 0.613 nan 8.280 nan 0.000 0.470 165 Y N -0.601 119.802 120.300 0.173 0.000 2.689 165 Y HA 0.774 5.324 4.550 -0.000 0.000 0.333 165 Y C -1.791 174.140 175.900 0.052 0.000 1.208 165 Y CA -1.840 56.326 58.100 0.111 0.000 1.055 165 Y CB 1.614 40.143 38.460 0.114 0.000 1.304 165 Y HN 0.207 nan 8.280 nan 0.000 0.455 166 K N 1.017 121.445 120.400 0.047 0.000 2.318 166 K HA 0.288 4.608 4.320 -0.000 0.000 0.249 166 K C -1.716 174.915 176.600 0.052 0.000 0.942 166 K CA -1.042 55.213 56.287 -0.053 0.000 0.808 166 K CB 1.837 34.323 32.500 -0.022 0.000 1.189 166 K HN 0.627 nan 8.250 nan 0.000 0.428 167 D N 2.508 122.916 120.400 0.013 0.000 2.479 167 D HA 0.124 4.764 4.640 -0.000 0.000 0.218 167 D C -0.591 175.740 176.300 0.051 0.000 1.131 167 D CA -0.165 53.871 54.000 0.060 0.000 0.916 167 D CB 0.882 41.713 40.800 0.052 0.000 1.022 167 D HN 0.095 nan 8.370 nan 0.000 0.515 168 V N 2.686 122.630 119.914 0.049 0.000 2.488 168 V HA 0.239 4.359 4.120 -0.000 0.000 0.277 168 V C 0.698 176.839 176.094 0.079 0.000 1.046 168 V CA 0.108 62.469 62.300 0.101 0.000 0.986 168 V CB 1.405 33.324 31.823 0.161 0.000 0.989 168 V HN 0.383 nan 8.190 nan 0.000 0.475 169 T N 4.534 119.171 114.554 0.138 0.000 2.881 169 T HA 0.519 4.869 4.350 -0.000 0.000 0.291 169 T C -0.575 174.255 174.700 0.216 0.000 0.990 169 T CA -0.406 61.771 62.100 0.128 0.000 0.976 169 T CB 1.570 70.508 68.868 0.116 0.000 0.970 169 T HN 0.311 nan 8.240 nan 0.000 0.438 170 V N 3.791 123.858 119.914 0.255 0.000 2.409 170 V HA 0.712 4.832 4.120 -0.000 0.000 0.291 170 V C -0.021 176.228 176.094 0.258 0.000 1.020 170 V CA -0.756 61.716 62.300 0.286 0.000 0.848 170 V CB 1.597 33.602 31.823 0.302 0.000 0.990 170 V HN 1.043 nan 8.190 nan 0.000 0.430 171 S N 3.276 119.133 115.700 0.263 0.000 2.521 171 S HA 0.859 5.329 4.470 -0.000 0.000 0.295 171 S C -0.445 174.330 174.600 0.291 0.000 1.098 171 S CA -0.518 57.851 58.200 0.280 0.000 0.999 171 S CB 1.837 65.245 63.200 0.347 0.000 1.034 171 S HN 1.079 nan 8.310 nan 0.000 0.483 172 Q N 1.384 121.356 119.800 0.287 0.000 2.282 172 Q HA 0.770 5.110 4.340 -0.000 0.000 0.260 172 Q C -0.669 175.416 176.000 0.142 0.000 0.964 172 Q CA -0.969 54.987 55.803 0.256 0.000 0.880 172 Q CB 1.447 30.363 28.738 0.297 0.000 1.286 172 Q HN 1.151 nan 8.270 nan 0.000 0.445 173 V N 0.242 120.136 119.914 -0.034 0.000 2.823 173 V HA 0.713 4.833 4.120 -0.000 0.000 0.312 173 V C -1.116 174.775 176.094 -0.339 0.000 1.072 173 V CA -1.131 60.980 62.300 -0.315 0.000 0.937 173 V CB 1.925 33.340 31.823 -0.680 0.000 1.013 173 V HN 0.992 nan 8.190 nan 0.000 0.430 174 W N 3.992 124.990 121.300 -0.503 0.000 2.376 174 W HA 0.723 5.383 4.660 -0.000 0.000 0.312 174 W C -1.221 175.024 176.519 -0.456 0.000 1.060 174 W CA -1.139 55.992 57.345 -0.357 0.000 1.221 174 W CB 1.337 30.702 29.460 -0.159 0.000 1.281 174 W HN 0.430 nan 8.180 nan 0.000 0.456 175 F N 5.839 125.369 119.950 -0.701 0.000 2.329 175 F HA 0.435 4.962 4.527 -0.000 0.000 0.362 175 F C 1.022 176.157 175.800 -1.108 0.000 1.113 175 F CA -0.769 56.825 58.000 -0.677 0.000 1.212 175 F CB 0.422 39.177 39.000 -0.408 0.000 1.509 175 F HN 0.429 nan 8.300 nan 0.000 0.546 176 G N 0.098 108.173 108.800 -1.208 0.000 2.325 176 G HA2 0.425 4.385 3.960 -0.000 0.000 0.298 176 G HA3 0.425 4.385 3.960 -0.000 0.000 0.298 176 G C -0.124 174.594 174.900 -0.303 0.000 1.134 176 G CA -0.419 44.055 45.100 -1.042 0.000 0.876 176 G HN 0.909 nan 8.290 nan 0.000 0.452 177 H N 0.485 119.444 119.070 -0.185 0.000 3.195 177 H HA 0.236 4.792 4.556 -0.000 0.000 0.302 177 H C 1.489 176.801 175.328 -0.028 0.000 0.950 177 H CA 1.214 57.213 56.048 -0.081 0.000 1.398 177 H CB -0.108 29.625 29.762 -0.048 0.000 1.377 177 H HN 1.156 nan 8.280 nan 0.000 0.572 178 R N 0.538 121.026 120.500 -0.020 0.000 3.919 178 R HA -0.152 4.188 4.340 -0.000 0.000 0.412 178 R C -0.121 176.193 176.300 0.023 0.000 1.102 178 R CA 1.149 57.252 56.100 0.006 0.000 1.082 178 R CB -1.676 28.634 30.300 0.017 0.000 1.671 178 R HN 1.410 nan 8.270 nan 0.000 0.540 179 S N -1.687 114.024 115.700 0.017 0.000 2.643 179 S HA 0.677 5.147 4.470 -0.000 0.000 0.266 179 S C -1.918 172.695 174.600 0.021 0.000 1.130 179 S CA 0.094 58.320 58.200 0.043 0.000 0.817 179 S CB 2.270 65.531 63.200 0.101 0.000 1.107 179 S HN 0.238 nan 8.310 nan 0.000 0.471 180 S N 1.414 117.129 115.700 0.024 0.000 2.599 180 S HA 0.408 4.878 4.470 -0.000 0.000 0.269 180 S C -1.575 172.977 174.600 -0.079 0.000 1.135 180 S CA -0.616 57.543 58.200 -0.068 0.000 1.027 180 S CB 1.498 64.646 63.200 -0.087 0.000 1.129 180 S HN 0.685 nan 8.310 nan 0.000 0.458 181 Q N 2.532 122.322 119.800 -0.017 0.000 2.377 181 Q HA 0.649 4.989 4.340 -0.000 0.000 0.271 181 Q C -1.150 174.808 176.000 -0.070 0.000 1.077 181 Q CA -0.736 55.072 55.803 0.008 0.000 0.820 181 Q CB 1.123 29.936 28.738 0.126 0.000 1.347 181 Q HN 0.500 nan 8.270 nan 0.000 0.444 182 F N 1.363 121.316 119.950 0.005 0.000 2.527 182 F HA 0.198 4.725 4.527 -0.000 0.000 0.316 182 F C 1.430 177.239 175.800 0.015 0.000 1.258 182 F CA 1.203 59.202 58.000 -0.001 0.000 1.314 182 F CB 0.645 39.647 39.000 0.004 0.000 1.200 182 F HN 0.736 nan 8.300 nan 0.000 0.577 183 M N 0.226 119.978 119.600 0.253 0.000 2.198 183 M HA 0.546 5.026 4.480 -0.000 0.000 0.326 183 M C 0.504 176.879 176.300 0.125 0.000 0.924 183 M CA 0.889 56.273 55.300 0.141 0.000 1.118 183 M CB -0.000 32.675 32.600 0.125 0.000 1.947 183 M HN 0.950 nan 8.290 nan 0.000 0.662 184 G N 1.099 109.995 108.800 0.160 0.000 1.873 184 G HA2 0.454 4.414 3.960 -0.000 0.000 0.199 184 G HA3 0.454 4.414 3.960 -0.000 0.000 0.199 184 G C -0.952 174.024 174.900 0.127 0.000 1.821 184 G CA -0.616 44.549 45.100 0.108 0.000 0.955 184 G HN 0.609 nan 8.290 nan 0.000 0.616 185 I N 1.804 122.417 120.570 0.071 0.000 2.474 185 I HA 0.483 4.653 4.170 -0.000 0.000 0.287 185 I C -0.294 175.909 176.117 0.142 0.000 1.048 185 I CA -0.553 60.786 61.300 0.066 0.000 1.383 185 I CB 1.307 39.245 38.000 -0.103 0.000 1.412 185 I HN 0.420 nan 8.210 nan 0.000 0.531 186 F N 6.266 126.220 119.950 0.006 0.000 2.496 186 F HA 0.432 4.959 4.527 -0.000 0.000 0.341 186 F C -0.454 175.365 175.800 0.032 0.000 1.134 186 F CA -0.421 57.585 58.000 0.009 0.000 0.968 186 F CB 0.852 39.851 39.000 -0.003 0.000 1.205 186 F HN 0.431 nan 8.300 nan 0.000 0.436 187 E N 3.765 123.666 120.200 -0.498 0.000 2.195 187 E HA 0.473 4.823 4.350 -0.000 0.000 0.271 187 E C -1.599 174.662 176.600 -0.565 0.000 0.923 187 E CA -0.936 55.225 56.400 -0.399 0.000 0.790 187 E CB 2.082 31.669 29.700 -0.188 0.000 1.155 187 E HN 0.519 nan 8.360 nan 0.000 0.402 188 D N 0.839 121.031 120.400 -0.347 0.000 2.769 188 D HA 0.156 4.796 4.640 -0.000 0.000 0.219 188 D C -1.435 174.806 176.300 -0.098 0.000 1.245 188 D CA -0.648 53.208 54.000 -0.240 0.000 0.801 188 D CB 1.113 41.764 40.800 -0.248 0.000 1.598 188 D HN 0.250 nan 8.370 nan 0.000 0.485 189 R N 1.663 122.123 120.500 -0.067 0.000 2.265 189 R HA 0.787 5.127 4.340 -0.000 0.000 0.319 189 R C -0.585 175.653 176.300 -0.103 0.000 1.006 189 R CA -0.852 55.252 56.100 0.007 0.000 0.880 189 R CB 1.677 31.975 30.300 -0.002 0.000 1.077 189 R HN 0.352 nan 8.270 nan 0.000 0.454 190 A N 5.200 127.921 122.820 -0.166 0.000 2.330 190 A HA 0.584 4.904 4.320 -0.000 0.000 0.327 190 A C -2.439 175.080 177.584 -0.110 0.000 1.155 190 A CA -2.136 49.614 52.037 -0.478 0.000 0.803 190 A CB 1.096 19.443 19.000 -1.088 0.000 1.208 190 A HN 0.385 nan 8.150 nan 0.000 0.477 191 P HA 0.210 nan 4.420 nan 0.000 0.269 191 P C -0.546 176.815 177.300 0.100 0.000 1.209 191 P CA -0.064 63.096 63.100 0.100 0.000 0.776 191 P CB 0.709 32.440 31.700 0.052 0.000 0.876 192 V N 5.888 125.898 119.914 0.161 0.000 2.368 192 V HA 0.187 4.307 4.120 -0.000 0.000 0.266 192 V C -1.904 174.238 176.094 0.080 0.000 1.045 192 V CA -1.736 60.630 62.300 0.110 0.000 0.899 192 V CB 0.418 32.319 31.823 0.129 0.000 1.006 192 V HN 0.550 nan 8.190 nan 0.000 0.470 193 P HA -0.055 nan 4.420 nan 0.000 0.266 193 P C 0.718 178.058 177.300 0.066 0.000 1.186 193 P CA 0.128 63.280 63.100 0.087 0.000 0.767 193 P CB 0.445 32.195 31.700 0.083 0.000 0.820 194 F N 3.207 123.134 119.950 -0.038 0.000 2.027 194 F HA -0.297 4.230 4.527 -0.000 0.000 0.297 194 F C 2.008 177.764 175.800 -0.074 0.000 1.129 194 F CA 1.964 59.918 58.000 -0.076 0.000 1.195 194 F CB -0.533 38.429 39.000 -0.063 0.000 0.960 194 F HN 0.408 nan 8.300 nan 0.000 0.485 195 E N -0.260 119.994 120.200 0.090 0.000 2.097 195 E HA -0.331 4.019 4.350 -0.000 0.000 0.196 195 E C 2.193 178.716 176.600 -0.130 0.000 1.000 195 E CA 1.690 58.073 56.400 -0.028 0.000 0.804 195 E CB -0.477 29.281 29.700 0.098 0.000 0.740 195 E HN 0.672 nan 8.360 nan 0.000 0.454 196 E N 0.675 120.825 120.200 -0.084 0.000 2.106 196 E HA -0.159 4.191 4.350 -0.000 0.000 0.192 196 E C 2.137 178.647 176.600 -0.151 0.000 0.984 196 E CA 1.002 57.352 56.400 -0.082 0.000 0.806 196 E CB 0.218 29.899 29.700 -0.032 0.000 0.750 196 E HN 0.039 nan 8.360 nan 0.000 0.458 197 V N 1.438 121.201 119.914 -0.252 0.000 2.307 197 V HA -0.249 3.871 4.120 -0.000 0.000 0.245 197 V C 2.377 178.260 176.094 -0.351 0.000 1.045 197 V CA 1.235 63.310 62.300 -0.376 0.000 1.024 197 V CB -0.354 31.093 31.823 -0.626 0.000 0.651 197 V HN 0.371 nan 8.190 nan 0.000 0.449 198 I N 0.260 120.567 120.570 -0.437 0.000 2.277 198 I HA -0.111 4.059 4.170 -0.000 0.000 0.243 198 I C 2.153 178.167 176.117 -0.171 0.000 1.094 198 I CA 1.538 62.641 61.300 -0.328 0.000 1.393 198 I CB -1.160 36.533 38.000 -0.513 0.000 1.078 198 I HN 0.346 nan 8.210 nan 0.000 0.417 199 D N 0.539 120.843 120.400 -0.160 0.000 2.249 199 D HA -0.072 4.568 4.640 -0.000 0.000 0.205 199 D C 2.100 178.359 176.300 -0.067 0.000 0.962 199 D CA 0.816 54.765 54.000 -0.086 0.000 0.860 199 D CB 0.266 41.031 40.800 -0.059 0.000 0.955 199 D HN 0.237 nan 8.370 nan 0.000 0.505 200 K N 0.051 120.404 120.400 -0.078 0.000 2.286 200 K HA 0.233 4.552 4.320 -0.000 0.000 0.203 200 K C 2.245 178.810 176.600 -0.060 0.000 1.078 200 K CA 0.035 56.288 56.287 -0.056 0.000 0.957 200 K CB 0.325 32.798 32.500 -0.045 0.000 1.018 200 K HN 0.150 nan 8.250 nan 0.000 0.484 201 I N 1.140 121.666 120.570 -0.073 0.000 2.244 201 I HA -0.163 4.007 4.170 -0.000 0.000 0.231 201 I C 1.781 177.863 176.117 -0.058 0.000 1.065 201 I CA 1.005 62.269 61.300 -0.059 0.000 1.358 201 I CB -0.423 37.556 38.000 -0.036 0.000 1.130 201 I HN 0.073 nan 8.210 nan 0.000 0.411 202 N N 0.427 119.103 118.700 -0.040 0.000 2.635 202 N HA -0.066 4.674 4.740 -0.000 0.000 0.191 202 N C 1.181 176.667 175.510 -0.039 0.000 1.155 202 N CA 0.883 53.930 53.050 -0.005 0.000 0.927 202 N CB 0.186 38.742 38.487 0.115 0.000 0.976 202 N HN 0.400 nan 8.380 nan 0.000 0.448 203 A N -0.229 122.560 122.820 -0.051 0.000 1.938 203 A HA 0.191 4.511 4.320 -0.000 0.000 0.207 203 A C 1.709 179.259 177.584 -0.055 0.000 1.292 203 A CA 0.586 52.591 52.037 -0.054 0.000 0.700 203 A CB 0.285 19.255 19.000 -0.051 0.000 0.947 203 A HN 0.230 nan 8.150 nan 0.000 0.476 204 K N -1.887 118.481 120.400 -0.054 0.000 2.425 204 K HA 0.343 4.663 4.320 -0.000 0.000 0.201 204 K C 0.567 177.132 176.600 -0.057 0.000 1.128 204 K CA 0.466 56.723 56.287 -0.050 0.000 1.000 204 K CB 0.982 33.459 32.500 -0.039 0.000 0.961 204 K HN 0.699 nan 8.250 nan 0.000 0.555 205 G N 2.266 111.025 108.800 -0.068 0.000 2.204 205 G HA2 -0.202 3.758 3.960 -0.000 0.000 0.244 205 G HA3 -0.202 3.758 3.960 -0.000 0.000 0.244 205 G C -0.063 174.795 174.900 -0.070 0.000 1.062 205 G CA 0.189 45.236 45.100 -0.088 0.000 0.798 205 G HN 0.234 nan 8.290 nan 0.000 0.496 206 V N -3.902 115.980 119.914 -0.053 0.000 3.156 206 V HA 0.938 5.058 4.120 -0.000 0.000 0.311 206 V C 0.241 176.316 176.094 -0.030 0.000 1.208 206 V CA -0.860 61.417 62.300 -0.039 0.000 1.063 206 V CB 1.998 33.803 31.823 -0.029 0.000 1.098 206 V HN 1.408 nan 8.190 nan 0.000 0.452 207 c N 1.010 119.596 118.600 -0.023 0.000 2.985 207 c HA 0.625 5.195 4.570 -0.000 0.000 0.332 207 c C -0.078 174.006 174.090 -0.010 0.000 1.164 207 c CA -0.505 55.815 56.329 -0.016 0.000 1.347 207 c CB 1.708 44.210 42.510 -0.014 0.000 1.764 207 c HN 1.133 nan 8.230 nan 0.000 0.489 208 R N 2.322 122.821 120.500 -0.002 0.000 2.590 208 R HA 0.241 4.581 4.340 -0.000 0.000 0.274 208 R C 1.092 177.399 176.300 0.011 0.000 1.061 208 R CA 0.546 56.652 56.100 0.010 0.000 1.081 208 R CB 0.796 31.102 30.300 0.010 0.000 0.984 208 R HN 0.896 nan 8.270 nan 0.000 0.448 209 S N -0.264 115.461 115.700 0.041 0.000 2.763 209 S HA 0.007 4.477 4.470 -0.000 0.000 0.237 209 S C 0.300 174.949 174.600 0.081 0.000 0.966 209 S CA -0.420 57.825 58.200 0.074 0.000 1.017 209 S CB -0.340 62.954 63.200 0.157 0.000 0.780 209 S HN 0.683 nan 8.310 nan 0.000 0.476 210 T N -2.361 112.193 114.554 0.000 0.000 2.896 210 T HA 0.800 5.150 4.350 -0.000 0.000 0.297 210 T C -0.905 173.760 174.700 -0.059 0.000 1.108 210 T CA -0.730 61.299 62.100 -0.120 0.000 1.004 210 T CB 1.803 70.516 68.868 -0.258 0.000 1.159 210 T HN 0.489 nan 8.240 nan 0.000 0.499 211 A N 2.018 124.805 122.820 -0.055 0.000 2.409 211 A HA 0.650 4.970 4.320 -0.000 0.000 0.300 211 A C -0.301 177.383 177.584 0.166 0.000 1.273 211 A CA -0.944 51.172 52.037 0.132 0.000 0.774 211 A CB 0.487 19.649 19.000 0.270 0.000 1.144 211 A HN 0.772 nan 8.150 nan 0.000 0.472 212 K N 2.929 123.412 120.400 0.139 0.000 2.360 212 K HA 0.464 4.784 4.320 -0.000 0.000 0.235 212 K C -1.027 175.671 176.600 0.163 0.000 1.077 212 K CA -0.183 56.144 56.287 0.066 0.000 1.035 212 K CB 0.193 32.700 32.500 0.011 0.000 1.623 212 K HN 0.772 nan 8.250 nan 0.000 0.462 213 Y N -2.286 118.027 120.300 0.020 0.000 2.665 213 Y HA 0.684 5.234 4.550 -0.000 0.000 0.336 213 Y C -0.824 175.103 175.900 0.044 0.000 1.085 213 Y CA -1.679 56.444 58.100 0.039 0.000 1.096 213 Y CB 0.920 39.411 38.460 0.052 0.000 1.301 213 Y HN -0.048 nan 8.280 nan 0.000 0.493 214 V N 2.297 122.289 119.914 0.130 0.000 2.435 214 V HA 0.808 4.928 4.120 -0.000 0.000 0.290 214 V C -1.221 174.951 176.094 0.131 0.000 1.030 214 V CA -0.448 61.874 62.300 0.037 0.000 0.881 214 V CB 1.271 33.132 31.823 0.062 0.000 0.983 214 V HN 0.912 nan 8.190 nan 0.000 0.445 215 R N 4.976 125.504 120.500 0.047 0.000 2.522 215 R HA 0.487 4.827 4.340 -0.000 0.000 0.283 215 R C -0.141 176.201 176.300 0.071 0.000 1.074 215 R CA -0.182 55.993 56.100 0.126 0.000 0.925 215 R CB 0.677 31.114 30.300 0.228 0.000 1.205 215 R HN 0.830 nan 8.270 nan 0.000 0.436 216 N N 3.416 122.163 118.700 0.078 0.000 2.721 216 N HA -0.228 4.512 4.740 -0.000 0.000 0.249 216 N C -1.132 174.395 175.510 0.029 0.000 1.072 216 N CA 1.407 54.487 53.050 0.050 0.000 0.710 216 N CB -1.063 37.452 38.487 0.047 0.000 0.993 216 N HN 0.836 nan 8.380 nan 0.000 0.547 217 N N -2.123 116.595 118.700 0.030 0.000 2.746 217 N HA -0.203 4.537 4.740 -0.000 0.000 0.250 217 N C -1.055 174.459 175.510 0.007 0.000 1.055 217 N CA 1.067 54.128 53.050 0.019 0.000 0.699 217 N CB -1.062 37.434 38.487 0.016 0.000 0.919 217 N HN 0.571 nan 8.380 nan 0.000 0.548 218 L N -0.693 120.527 121.223 -0.004 0.000 2.592 218 L HA 0.304 4.644 4.340 -0.000 0.000 0.258 218 L C -0.221 176.615 176.870 -0.057 0.000 0.926 218 L CA -0.519 54.307 54.840 -0.024 0.000 0.885 218 L CB 1.811 43.853 42.059 -0.028 0.000 1.380 218 L HN 0.161 nan 8.230 nan 0.000 0.415 219 E N 2.782 122.951 120.200 -0.051 0.000 1.852 219 E HA 0.104 4.454 4.350 -0.000 0.000 0.276 219 E C -0.613 175.917 176.600 -0.118 0.000 1.163 219 E CA -0.090 56.265 56.400 -0.076 0.000 1.117 219 E CB 0.254 29.936 29.700 -0.030 0.000 1.124 219 E HN 0.688 nan 8.360 nan 0.000 0.458 220 T N 2.242 116.657 114.554 -0.232 0.000 2.884 220 T HA 0.138 4.488 4.350 -0.000 0.000 0.298 220 T C -0.328 174.206 174.700 -0.277 0.000 0.998 220 T CA 0.020 61.969 62.100 -0.251 0.000 1.124 220 T CB 0.862 69.534 68.868 -0.327 0.000 0.931 220 T HN 0.222 nan 8.240 nan 0.000 0.531 221 T N 4.238 118.727 114.554 -0.108 0.000 2.864 221 T HA 0.654 5.004 4.350 -0.000 0.000 0.299 221 T C -0.558 174.121 174.700 -0.035 0.000 1.011 221 T CA -0.598 61.442 62.100 -0.100 0.000 0.975 221 T CB 1.182 70.017 68.868 -0.055 0.000 0.962 221 T HN 0.804 nan 8.240 nan 0.000 0.448 222 A N 3.356 126.142 122.820 -0.057 0.000 2.304 222 A HA 0.848 5.168 4.320 -0.000 0.000 0.323 222 A C -0.948 176.575 177.584 -0.102 0.000 1.195 222 A CA -0.585 51.496 52.037 0.073 0.000 0.826 222 A CB 0.326 19.445 19.000 0.200 0.000 1.184 222 A HN 0.708 nan 8.150 nan 0.000 0.496 223 F N 1.122 121.139 119.950 0.113 0.000 2.444 223 F HA 0.327 4.854 4.527 -0.000 0.000 0.342 223 F C 0.614 176.474 175.800 0.101 0.000 1.121 223 F CA -0.386 57.667 58.000 0.089 0.000 0.997 223 F CB 1.315 40.329 39.000 0.024 0.000 1.130 223 F HN 0.743 nan 8.300 nan 0.000 0.454 224 H N 4.628 123.790 119.070 0.154 0.000 3.004 224 H HA 0.172 4.728 4.556 -0.000 0.000 0.316 224 H C 0.830 176.146 175.328 -0.020 0.000 1.014 224 H CA 0.369 56.460 56.048 0.073 0.000 1.454 224 H CB 0.392 30.184 29.762 0.050 0.000 1.472 224 H HN 0.596 nan 8.280 nan 0.000 0.571 225 R N 3.074 123.184 120.500 -0.650 0.000 4.016 225 R HA -0.241 4.099 4.340 -0.000 0.000 0.385 225 R C -0.234 175.814 176.300 -0.421 0.000 1.158 225 R CA 1.029 56.558 56.100 -0.952 0.000 1.117 225 R CB -1.861 27.908 30.300 -0.885 0.000 1.635 225 R HN 0.991 nan 8.270 nan 0.000 0.560 226 D N -0.500 119.841 120.400 -0.098 0.000 3.039 226 D HA -0.187 4.453 4.640 -0.000 0.000 0.222 226 D C 0.192 176.416 176.300 -0.127 0.000 1.179 226 D CA 1.961 55.959 54.000 -0.003 0.000 0.880 226 D CB -0.613 40.190 40.800 0.004 0.000 1.115 226 D HN 0.488 nan 8.370 nan 0.000 0.416 227 D N -1.018 119.336 120.400 -0.077 0.000 2.348 227 D HA 0.214 4.854 4.640 -0.000 0.000 0.249 227 D C 0.364 176.680 176.300 0.027 0.000 1.110 227 D CA -0.243 53.724 54.000 -0.055 0.000 0.967 227 D CB 0.639 41.432 40.800 -0.011 0.000 1.139 227 D HN 0.045 nan 8.370 nan 0.000 0.466 228 H N 0.265 119.353 119.070 0.030 0.000 2.983 228 H HA 0.036 4.592 4.556 -0.000 0.000 0.361 228 H C 0.202 175.649 175.328 0.198 0.000 1.145 228 H CA 0.484 56.593 56.048 0.102 0.000 1.404 228 H CB 0.327 30.119 29.762 0.050 0.000 1.356 228 H HN 0.327 nan 8.280 nan 0.000 0.612 229 E N 1.017 121.439 120.200 0.369 0.000 2.529 229 E HA -0.031 4.319 4.350 -0.000 0.000 0.259 229 E C -0.795 175.909 176.600 0.173 0.000 0.966 229 E CA 0.291 56.839 56.400 0.247 0.000 0.937 229 E CB 0.341 30.157 29.700 0.193 0.000 0.923 229 E HN 0.542 nan 8.360 nan 0.000 0.468 230 T N 4.756 119.388 114.554 0.131 0.000 2.921 230 T HA 0.158 4.508 4.350 -0.000 0.000 0.297 230 T C -1.442 173.294 174.700 0.059 0.000 1.013 230 T CA -0.913 61.243 62.100 0.093 0.000 0.990 230 T CB 1.160 70.088 68.868 0.101 0.000 1.023 230 T HN 0.364 nan 8.240 nan 0.000 0.447 231 D N 3.818 124.242 120.400 0.039 0.000 2.422 231 D HA 0.247 4.887 4.640 -0.000 0.000 0.227 231 D C -0.092 176.213 176.300 0.008 0.000 1.190 231 D CA 0.032 54.043 54.000 0.018 0.000 0.905 231 D CB 0.378 41.184 40.800 0.010 0.000 1.034 231 D HN 0.424 nan 8.370 nan 0.000 0.507 232 M N 1.423 121.023 119.600 0.001 0.000 2.157 232 M HA 0.192 4.672 4.480 -0.000 0.000 0.354 232 M C 0.764 177.047 176.300 -0.029 0.000 1.170 232 M CA -0.593 54.700 55.300 -0.012 0.000 1.060 232 M CB 1.756 34.344 32.600 -0.021 0.000 1.615 232 M HN 0.034 nan 8.290 nan 0.000 0.460 233 E N 2.349 122.531 120.200 -0.030 0.000 2.442 233 E HA 0.192 4.542 4.350 -0.000 0.000 0.260 233 E C -0.960 175.611 176.600 -0.049 0.000 1.148 233 E CA 0.094 56.471 56.400 -0.038 0.000 0.976 233 E CB 0.644 30.325 29.700 -0.032 0.000 0.967 233 E HN 0.521 nan 8.360 nan 0.000 0.454 234 L N 1.552 122.747 121.223 -0.047 0.000 2.322 234 L HA 0.390 4.730 4.340 -0.000 0.000 0.279 234 L C -0.056 176.833 176.870 0.033 0.000 1.036 234 L CA -0.531 54.295 54.840 -0.023 0.000 0.807 234 L CB 1.036 43.080 42.059 -0.025 0.000 1.226 234 L HN 0.482 nan 8.230 nan 0.000 0.433 235 K N 1.991 122.434 120.400 0.072 0.000 2.375 235 K HA 0.671 4.991 4.320 -0.000 0.000 0.249 235 K C -2.926 173.869 176.600 0.324 0.000 0.942 235 K CA -2.207 54.170 56.287 0.150 0.000 0.806 235 K CB 1.796 34.273 32.500 -0.037 0.000 1.227 235 K HN 0.068 nan 8.250 nan 0.000 0.430 236 P HA -0.096 nan 4.420 nan 0.000 0.265 236 P C -0.587 176.691 177.300 -0.037 0.000 1.187 236 P CA 0.182 63.236 63.100 -0.076 0.000 0.766 236 P CB 0.545 32.235 31.700 -0.016 0.000 0.820 237 A N 3.571 126.273 122.820 -0.196 0.000 2.386 237 A HA 0.120 4.440 4.320 -0.000 0.000 0.246 237 A C 0.611 178.144 177.584 -0.085 0.000 1.089 237 A CA -0.147 51.828 52.037 -0.103 0.000 0.790 237 A CB -0.262 18.598 19.000 -0.232 0.000 1.042 237 A HN 0.527 nan 8.150 nan 0.000 0.497 238 N N 0.046 118.705 118.700 -0.067 0.000 2.340 238 N HA 0.316 5.056 4.740 -0.000 0.000 0.236 238 N C 0.298 175.764 175.510 -0.073 0.000 1.296 238 N CA 0.756 53.778 53.050 -0.048 0.000 0.896 238 N CB 0.234 38.696 38.487 -0.042 0.000 1.127 238 N HN 0.806 nan 8.380 nan 0.000 0.442 239 A N 0.160 122.948 122.820 -0.053 0.000 2.524 239 A HA 0.488 4.808 4.320 -0.000 0.000 0.250 239 A C -0.042 177.505 177.584 -0.061 0.000 1.078 239 A CA 0.036 52.039 52.037 -0.056 0.000 0.761 239 A CB -0.460 18.517 19.000 -0.038 0.000 1.012 239 A HN 0.695 nan 8.150 nan 0.000 0.500 240 A N 2.687 125.464 122.820 -0.071 0.000 2.488 240 A HA 0.659 4.979 4.320 -0.000 0.000 0.295 240 A C 0.030 177.575 177.584 -0.066 0.000 1.045 240 A CA 0.049 52.046 52.037 -0.068 0.000 0.703 240 A CB 0.531 19.483 19.000 -0.081 0.000 1.271 240 A HN 1.784 nan 8.150 nan 0.000 0.400 241 T N 0.222 114.744 114.554 -0.054 0.000 2.888 241 T HA 0.477 4.827 4.350 -0.000 0.000 0.301 241 T C 0.373 175.041 174.700 -0.055 0.000 1.001 241 T CA 0.025 62.096 62.100 -0.049 0.000 1.147 241 T CB -0.028 68.817 68.868 -0.038 0.000 0.931 241 T HN 1.014 nan 8.240 nan 0.000 0.541 242 R N 0.161 120.628 120.500 -0.055 0.000 3.152 242 R HA -0.122 4.218 4.340 -0.000 0.000 0.252 242 R C -0.393 175.865 176.300 -0.072 0.000 0.930 242 R CA 0.777 56.843 56.100 -0.058 0.000 0.642 242 R CB -2.746 27.524 30.300 -0.050 0.000 1.205 242 R HN 1.109 nan 8.270 nan 0.000 0.452 243 T N -2.680 111.824 114.554 -0.084 0.000 3.011 243 T HA 0.432 4.782 4.350 -0.000 0.000 0.303 243 T C 0.305 174.934 174.700 -0.119 0.000 0.997 243 T CA -0.418 61.620 62.100 -0.104 0.000 1.007 243 T CB 1.836 70.634 68.868 -0.116 0.000 1.017 243 T HN 0.278 nan 8.240 nan 0.000 0.443 244 S N 3.630 119.259 115.700 -0.118 0.000 2.566 244 S HA 0.263 4.733 4.470 -0.000 0.000 0.280 244 S C 0.617 175.105 174.600 -0.187 0.000 1.343 244 S CA -0.907 57.220 58.200 -0.122 0.000 1.036 244 S CB 0.146 63.285 63.200 -0.102 0.000 0.866 244 S HN 0.839 nan 8.310 nan 0.000 0.526 245 R N 0.669 121.036 120.500 -0.221 0.000 2.817 245 R HA 0.418 4.758 4.340 -0.000 0.000 0.264 245 R C 0.677 176.592 176.300 -0.642 0.000 1.009 245 R CA 0.687 56.495 56.100 -0.487 0.000 1.133 245 R CB -0.138 29.855 30.300 -0.511 0.000 1.013 245 R HN 0.892 nan 8.270 nan 0.000 0.453 246 G N 0.278 108.444 108.800 -1.056 0.000 2.698 246 G HA2 0.536 4.496 3.960 -0.000 0.000 0.293 246 G HA3 0.536 4.496 3.960 -0.000 0.000 0.293 246 G C -1.819 172.555 174.900 -0.877 0.000 1.437 246 G CA -0.664 44.014 45.100 -0.704 0.000 0.852 246 G HN 0.448 nan 8.290 nan 0.000 0.499 247 W N -0.559 120.747 121.300 0.010 0.000 3.042 247 W HA 0.617 5.277 4.660 -0.000 0.000 0.342 247 W C -0.218 176.378 176.519 0.129 0.000 1.240 247 W CA -0.573 56.815 57.345 0.073 0.000 1.166 247 W CB 2.268 31.735 29.460 0.012 0.000 1.469 247 W HN 1.072 nan 8.180 nan 0.000 0.579 248 H N -3.049 116.111 119.070 0.150 0.000 2.950 248 H HA 0.391 4.947 4.556 -0.000 0.000 0.307 248 H C -0.038 175.298 175.328 0.013 0.000 1.403 248 H CA -0.107 55.953 56.048 0.020 0.000 1.145 248 H CB 1.451 31.188 29.762 -0.042 0.000 1.844 248 H HN 0.222 nan 8.280 nan 0.000 0.515 249 T N -1.956 112.545 114.554 -0.089 0.000 3.401 249 T HA 0.150 4.500 4.350 -0.000 0.000 0.225 249 T C 0.658 175.257 174.700 -0.167 0.000 0.961 249 T CA 0.621 62.625 62.100 -0.159 0.000 1.429 249 T CB -0.775 68.023 68.868 -0.117 0.000 1.213 249 T HN 0.576 nan 8.240 nan 0.000 0.440 250 T N 2.410 116.882 114.554 -0.136 0.000 2.937 250 T HA 0.126 4.476 4.350 -0.000 0.000 0.316 250 T C 0.599 175.369 174.700 0.118 0.000 1.079 250 T CA 0.106 62.145 62.100 -0.101 0.000 1.131 250 T CB 0.667 69.380 68.868 -0.259 0.000 1.000 250 T HN 0.410 nan 8.240 nan 0.000 0.549 251 D N 0.505 120.987 120.400 0.136 0.000 2.597 251 D HA 0.123 4.763 4.640 -0.000 0.000 0.261 251 D C 0.616 177.010 176.300 0.156 0.000 1.023 251 D CA 0.317 54.441 54.000 0.207 0.000 0.927 251 D CB 0.397 41.296 40.800 0.164 0.000 1.168 251 D HN 0.575 nan 8.370 nan 0.000 0.491 252 L N -1.411 119.908 121.223 0.160 0.000 2.286 252 L HA 0.633 4.973 4.340 -0.000 0.000 0.265 252 L C -0.446 176.545 176.870 0.201 0.000 1.012 252 L CA -1.124 53.810 54.840 0.156 0.000 0.818 252 L CB 1.446 43.592 42.059 0.144 0.000 1.337 252 L HN -0.446 nan 8.230 nan 0.000 0.438 253 K N 1.019 121.529 120.400 0.183 0.000 2.205 253 K HA 0.277 4.597 4.320 -0.000 0.000 0.279 253 K C -1.144 175.613 176.600 0.260 0.000 1.027 253 K CA -0.176 56.240 56.287 0.214 0.000 0.932 253 K CB 1.361 33.960 32.500 0.165 0.000 1.032 253 K HN 0.644 nan 8.250 nan 0.000 0.466 254 Y N 2.500 122.896 120.300 0.160 0.000 2.334 254 Y HA 0.304 4.854 4.550 -0.000 0.000 0.328 254 Y C -0.617 175.369 175.900 0.143 0.000 1.130 254 Y CA -0.449 57.723 58.100 0.120 0.000 1.163 254 Y CB 1.069 39.559 38.460 0.050 0.000 1.207 254 Y HN 0.519 nan 8.280 nan 0.000 0.471 255 N N 5.986 124.247 118.700 -0.730 0.000 2.242 255 N HA 0.368 5.108 4.740 -0.000 0.000 0.292 255 N C -2.945 172.165 175.510 -0.667 0.000 1.125 255 N CA -1.707 51.051 53.050 -0.487 0.000 0.783 255 N CB 1.857 40.249 38.487 -0.158 0.000 1.558 255 N HN 0.420 nan 8.380 nan 0.000 0.472 256 P HA -0.001 nan 4.420 nan 0.000 0.269 256 P C 0.002 177.319 177.300 0.028 0.000 1.211 256 P CA -0.014 63.049 63.100 -0.063 0.000 0.781 256 P CB 0.366 32.135 31.700 0.114 0.000 0.877 257 S N 1.157 116.849 115.700 -0.013 0.000 2.592 257 S HA 0.270 4.740 4.470 -0.000 0.000 0.271 257 S C 0.227 174.551 174.600 -0.459 0.000 1.326 257 S CA -0.778 57.346 58.200 -0.127 0.000 1.024 257 S CB 0.438 63.575 63.200 -0.105 0.000 0.921 257 S HN 0.353 nan 8.310 nan 0.000 0.527 258 R N 1.287 121.396 120.500 -0.651 0.000 2.488 258 R HA 0.236 4.576 4.340 -0.000 0.000 0.317 258 R C -1.251 174.387 176.300 -1.104 0.000 0.941 258 R CA 0.315 55.637 56.100 -1.298 0.000 1.076 258 R CB -0.881 29.056 30.300 -0.604 0.000 0.917 258 R HN 0.531 nan 8.270 nan 0.000 0.407 259 V N 5.833 124.829 119.914 -1.530 0.000 2.516 259 V HA 0.143 4.263 4.120 -0.000 0.000 0.271 259 V C -0.156 175.755 176.094 -0.304 0.000 0.992 259 V CA -0.840 61.116 62.300 -0.575 0.000 0.857 259 V CB 0.961 32.622 31.823 -0.269 0.000 1.047 259 V HN 0.870 nan 8.190 nan 0.000 0.455 260 E N 4.075 124.117 120.200 -0.263 0.000 2.558 260 E HA 0.346 4.696 4.350 -0.000 0.000 0.255 260 E C 0.785 177.296 176.600 -0.148 0.000 0.968 260 E CA 0.919 57.211 56.400 -0.179 0.000 0.939 260 E CB 0.615 30.220 29.700 -0.159 0.000 0.921 260 E HN 1.231 nan 8.360 nan 0.000 0.477 265 Y N -0.082 120.278 120.300 0.099 0.000 2.359 265 Y HA 0.441 4.991 4.550 -0.000 0.000 0.330 265 Y C 1.065 177.056 175.900 0.151 0.000 1.143 265 Y CA -0.185 57.986 58.100 0.120 0.000 1.318 265 Y CB 1.267 39.797 38.460 0.115 0.000 1.234 265 Y HN 0.632 nan 8.280 nan 0.000 0.522 266 G N 2.067 111.065 108.800 0.331 0.000 2.588 266 G HA2 0.410 4.370 3.960 -0.000 0.000 0.312 266 G HA3 0.410 4.370 3.960 -0.000 0.000 0.312 266 G C -0.690 174.434 174.900 0.374 0.000 1.257 266 G CA -0.641 44.644 45.100 0.309 0.000 0.994 266 G HN 0.531 nan 8.290 nan 0.000 0.498 267 T N 2.246 117.044 114.554 0.406 0.000 2.817 267 T HA 0.545 4.895 4.350 -0.000 0.000 0.293 267 T C 0.253 175.159 174.700 0.344 0.000 0.964 267 T CA 0.178 62.483 62.100 0.342 0.000 1.085 267 T CB 1.167 70.215 68.868 0.300 0.000 0.921 267 T HN 0.393 nan 8.240 nan 0.000 0.502 268 T N 2.484 117.236 114.554 0.331 0.000 2.887 268 T HA 0.625 4.975 4.350 -0.000 0.000 0.288 268 T C -0.716 174.189 174.700 0.342 0.000 1.021 268 T CA -0.610 61.721 62.100 0.386 0.000 1.000 268 T CB 1.560 70.635 68.868 0.345 0.000 1.034 268 T HN 0.324 nan 8.240 nan 0.000 0.467 269 V N 3.326 123.486 119.914 0.410 0.000 2.509 269 V HA 0.433 4.553 4.120 -0.000 0.000 0.289 269 V C -0.730 175.321 176.094 -0.072 0.000 1.026 269 V CA -0.934 61.453 62.300 0.145 0.000 0.872 269 V CB 1.462 33.377 31.823 0.152 0.000 1.017 269 V HN 0.832 nan 8.190 nan 0.000 0.436 270 N N 3.304 121.986 118.700 -0.031 0.000 2.621 270 N HA 0.223 4.963 4.740 -0.000 0.000 0.237 270 N C -0.444 175.022 175.510 -0.073 0.000 0.997 270 N CA -0.214 52.798 53.050 -0.063 0.000 0.918 270 N CB 1.171 39.660 38.487 0.003 0.000 1.122 270 N HN 0.687 nan 8.380 nan 0.000 0.510 271 c N 5.848 124.399 118.600 -0.080 0.000 2.651 271 c HA 0.372 4.942 4.570 -0.000 0.000 0.410 271 c C 0.237 174.262 174.090 -0.108 0.000 1.372 271 c CA -0.384 55.892 56.329 -0.088 0.000 1.707 271 c CB -1.836 40.646 42.510 -0.046 0.000 2.501 271 c HN 0.585 nan 8.230 nan 0.000 0.598 272 I N 6.151 126.545 120.570 -0.295 0.000 2.569 272 I HA 0.547 4.717 4.170 -0.000 0.000 0.296 272 I C -0.648 175.268 176.117 -0.334 0.000 1.028 272 I CA -0.623 60.456 61.300 -0.368 0.000 1.082 272 I CB 1.956 39.523 38.000 -0.722 0.000 1.264 272 I HN 0.234 nan 8.210 nan 0.000 0.429 273 V N 5.170 125.041 119.914 -0.071 0.000 2.532 273 V HA 0.318 4.438 4.120 -0.000 0.000 0.294 273 V C -0.644 175.533 176.094 0.137 0.000 1.036 273 V CA -0.588 61.711 62.300 -0.002 0.000 0.876 273 V CB 1.789 33.652 31.823 0.067 0.000 1.012 273 V HN 0.713 nan 8.190 nan 0.000 0.432 274 E N 3.257 123.472 120.200 0.025 0.000 2.199 274 E HA 0.481 4.831 4.350 -0.000 0.000 0.269 274 E C -0.840 175.761 176.600 0.002 0.000 0.899 274 E CA -0.752 55.653 56.400 0.008 0.000 0.772 274 E CB 2.613 32.292 29.700 -0.035 0.000 1.155 274 E HN 0.639 nan 8.360 nan 0.000 0.408 275 E N 1.594 121.814 120.200 0.032 0.000 2.338 275 E HA 0.244 4.594 4.350 -0.000 0.000 0.272 275 E C -0.117 176.446 176.600 -0.063 0.000 1.029 275 E CA -0.282 56.131 56.400 0.022 0.000 0.872 275 E CB 1.174 30.916 29.700 0.070 0.000 1.015 275 E HN 0.298 nan 8.360 nan 0.000 0.417 276 V N -0.851 119.012 119.914 -0.084 0.000 3.103 276 V HA 0.485 4.605 4.120 -0.000 0.000 0.311 276 V C -1.111 174.885 176.094 -0.164 0.000 1.322 276 V CA -1.117 61.103 62.300 -0.134 0.000 1.063 276 V CB 2.371 34.094 31.823 -0.167 0.000 1.090 276 V HN 0.493 nan 8.190 nan 0.000 0.462 277 D N 1.392 121.671 120.400 -0.202 0.000 2.425 277 D HA 0.646 5.286 4.640 -0.000 0.000 0.240 277 D C -0.441 175.649 176.300 -0.351 0.000 1.080 277 D CA 0.027 53.874 54.000 -0.254 0.000 0.836 277 D CB 2.069 42.754 40.800 -0.192 0.000 1.125 277 D HN 1.060 nan 8.370 nan 0.000 0.525 278 A N 3.386 125.850 122.820 -0.594 0.000 2.290 278 A HA 0.601 4.921 4.320 -0.000 0.000 0.310 278 A C 0.019 177.222 177.584 -0.634 0.000 1.202 278 A CA -0.562 50.998 52.037 -0.795 0.000 0.837 278 A CB 0.748 18.742 19.000 -1.677 0.000 1.139 278 A HN 0.501 nan 8.150 nan 0.000 0.509 279 R N 0.977 121.327 120.500 -0.251 0.000 2.686 279 R HA 0.722 5.062 4.340 -0.000 0.000 0.286 279 R C -0.827 175.566 176.300 0.156 0.000 0.969 279 R CA -0.372 55.706 56.100 -0.037 0.000 0.898 279 R CB 2.249 32.508 30.300 -0.068 0.000 1.183 279 R HN 0.686 nan 8.270 nan 0.000 0.456 280 S N 1.430 117.322 115.700 0.320 0.000 2.541 280 S HA 0.646 5.116 4.470 -0.000 0.000 0.271 280 S C -1.160 173.666 174.600 0.376 0.000 1.133 280 S CA -0.690 57.740 58.200 0.383 0.000 0.876 280 S CB 1.618 65.151 63.200 0.555 0.000 1.105 280 S HN 0.430 nan 8.310 nan 0.000 0.470 281 V N 2.235 122.177 119.914 0.048 0.000 3.074 281 V HA 0.698 4.818 4.120 -0.000 0.000 0.314 281 V C -0.538 174.966 176.094 -0.984 0.000 1.117 281 V CA -1.097 60.997 62.300 -0.344 0.000 1.014 281 V CB 1.013 32.777 31.823 -0.099 0.000 1.057 281 V HN 0.949 nan 8.190 nan 0.000 0.438 282 Y N 3.243 122.685 120.300 -1.430 0.000 2.987 282 Y HA 0.163 4.713 4.550 -0.000 0.000 0.339 282 Y C -1.530 174.150 175.900 -0.365 0.000 1.272 282 Y CA -0.053 57.516 58.100 -0.886 0.000 1.562 282 Y CB 0.762 39.027 38.460 -0.325 0.000 1.253 282 Y HN 0.611 nan 8.280 nan 0.000 0.604 283 P HA 0.030 nan 4.420 nan 0.000 0.253 283 P C -1.157 175.981 177.300 -0.270 0.000 1.281 283 P CA 0.535 63.108 63.100 -0.877 0.000 0.792 283 P CB -0.247 31.108 31.700 -0.574 0.000 1.193 284 Y N -0.865 119.400 120.300 -0.058 0.000 3.477 284 Y HA -0.215 4.335 4.550 -0.000 0.000 0.216 284 Y C 0.573 176.535 175.900 0.103 0.000 1.296 284 Y CA 0.466 58.610 58.100 0.073 0.000 1.535 284 Y CB -2.991 35.537 38.460 0.114 0.000 1.482 284 Y HN 0.209 nan 8.280 nan 0.000 0.597 285 D N 0.121 120.612 120.400 0.152 0.000 2.340 285 D HA 0.167 4.807 4.640 -0.000 0.000 0.217 285 D C 0.433 176.897 176.300 0.274 0.000 1.081 285 D CA 0.911 55.018 54.000 0.179 0.000 0.842 285 D CB 0.172 40.967 40.800 -0.008 0.000 0.934 285 D HN 0.714 nan 8.370 nan 0.000 0.511 286 E N -1.052 119.319 120.200 0.285 0.000 2.398 286 E HA 0.427 4.777 4.350 -0.000 0.000 0.280 286 E C -1.329 175.447 176.600 0.293 0.000 1.122 286 E CA -1.194 55.371 56.400 0.275 0.000 0.873 286 E CB 0.701 30.563 29.700 0.270 0.000 1.294 286 E HN 0.053 nan 8.360 nan 0.000 0.435 287 F N -0.598 119.348 119.950 -0.006 0.000 2.715 287 F HA 0.845 5.372 4.527 -0.000 0.000 0.318 287 F C -1.220 174.364 175.800 -0.360 0.000 1.141 287 F CA -0.863 57.076 58.000 -0.102 0.000 0.950 287 F CB 1.108 40.142 39.000 0.056 0.000 1.374 287 F HN 0.517 nan 8.300 nan 0.000 0.477 288 V N -0.568 119.186 119.914 -0.266 0.000 3.158 288 V HA 0.772 4.892 4.120 -0.000 0.000 0.311 288 V C -1.113 174.826 176.094 -0.258 0.000 1.181 288 V CA -1.058 60.930 62.300 -0.519 0.000 1.054 288 V CB 1.580 32.927 31.823 -0.795 0.000 1.085 288 V HN 1.038 nan 8.190 nan 0.000 0.446 289 L N 0.365 121.409 121.223 -0.299 0.000 2.422 289 L HA 0.808 5.148 4.340 -0.000 0.000 0.263 289 L C 1.690 178.419 176.870 -0.234 0.000 1.110 289 L CA -0.312 54.377 54.840 -0.252 0.000 1.065 289 L CB 1.102 43.000 42.059 -0.268 0.000 1.701 289 L HN 0.791 nan 8.230 nan 0.000 0.548 290 A N -0.760 121.932 122.820 -0.214 0.000 2.095 290 A HA -0.013 4.307 4.320 -0.000 0.000 0.212 290 A C 1.867 179.349 177.584 -0.171 0.000 1.162 290 A CA 1.025 52.955 52.037 -0.178 0.000 0.753 290 A CB -0.737 18.168 19.000 -0.159 0.000 0.840 290 A HN 0.820 nan 8.150 nan 0.000 0.468 291 T N -3.740 110.694 114.554 -0.201 0.000 3.113 291 T HA 0.311 4.661 4.350 -0.000 0.000 0.263 291 T C 1.426 176.023 174.700 -0.173 0.000 1.143 291 T CA 1.202 63.185 62.100 -0.197 0.000 1.090 291 T CB -0.284 68.422 68.868 -0.270 0.000 0.922 291 T HN 1.626 nan 8.240 nan 0.000 0.521 292 G N 1.128 109.822 108.800 -0.177 0.000 2.132 292 G HA2 -0.171 3.789 3.960 -0.000 0.000 0.234 292 G HA3 -0.171 3.789 3.960 -0.000 0.000 0.234 292 G C -0.528 174.303 174.900 -0.115 0.000 0.989 292 G CA -0.072 44.944 45.100 -0.141 0.000 0.676 292 G HN 0.591 nan 8.290 nan 0.000 0.522 293 D N -0.276 120.018 120.400 -0.176 0.000 2.198 293 D HA 0.548 5.188 4.640 -0.000 0.000 0.245 293 D C 0.034 176.232 176.300 -0.169 0.000 1.079 293 D CA -0.162 53.774 54.000 -0.107 0.000 0.854 293 D CB 0.931 41.629 40.800 -0.170 0.000 1.148 293 D HN 0.043 nan 8.370 nan 0.000 0.456 294 F N 1.033 120.859 119.950 -0.207 0.000 2.394 294 F HA 0.248 4.775 4.527 -0.000 0.000 0.340 294 F C 0.366 175.824 175.800 -0.571 0.000 1.105 294 F CA -0.391 57.331 58.000 -0.464 0.000 1.124 294 F CB 1.239 39.868 39.000 -0.618 0.000 1.145 294 F HN -0.036 nan 8.300 nan 0.000 0.505 295 V N 5.317 124.842 119.914 -0.649 0.000 2.380 295 V HA 0.142 4.262 4.120 -0.000 0.000 0.286 295 V C -0.925 174.857 176.094 -0.521 0.000 1.015 295 V CA -0.959 60.971 62.300 -0.618 0.000 0.834 295 V CB 0.705 31.918 31.823 -1.016 0.000 1.009 295 V HN 0.556 nan 8.190 nan 0.000 0.428 296 Y N 5.370 125.766 120.300 0.160 0.000 2.851 296 Y HA 0.562 5.112 4.550 -0.000 0.000 0.369 296 Y C 0.350 176.365 175.900 0.192 0.000 1.226 296 Y CA 0.028 58.208 58.100 0.135 0.000 1.949 296 Y CB 0.083 38.532 38.460 -0.019 0.000 2.059 296 Y HN 0.614 nan 8.280 nan 0.000 0.420 297 M N 0.414 120.157 119.600 0.239 0.000 2.465 297 M HA 0.360 4.840 4.480 -0.000 0.000 0.284 297 M C -0.982 175.535 176.300 0.361 0.000 1.212 297 M CA -0.637 54.805 55.300 0.237 0.000 0.910 297 M CB 1.892 34.576 32.600 0.140 0.000 1.725 297 M HN 0.086 nan 8.290 nan 0.000 0.477 298 S N 3.359 119.267 115.700 0.347 0.000 2.533 298 S HA 0.290 4.760 4.470 -0.000 0.000 0.282 298 S C -2.001 172.783 174.600 0.306 0.000 1.304 298 S CA -0.925 57.487 58.200 0.354 0.000 1.063 298 S CB 0.679 64.096 63.200 0.361 0.000 0.881 298 S HN 0.590 nan 8.310 nan 0.000 0.493 299 P HA -0.001 nan 4.420 nan 0.000 0.225 299 P C 0.116 177.260 177.300 -0.259 0.000 1.148 299 P CA 1.089 63.925 63.100 -0.442 0.000 0.779 299 P CB -0.012 30.841 31.700 -1.413 0.000 0.780 300 F N -3.622 116.361 119.950 0.054 0.000 2.660 300 F HA 0.176 4.703 4.527 -0.000 0.000 0.302 300 F C 1.023 177.125 175.800 0.504 0.000 1.103 300 F CA -0.795 57.215 58.000 0.016 0.000 1.340 300 F CB -0.690 38.217 39.000 -0.155 0.000 1.048 300 F HN -0.132 nan 8.300 nan 0.000 0.551 301 Y N 1.242 121.806 120.300 0.441 0.000 2.397 301 Y HA 0.526 5.076 4.550 -0.000 0.000 0.335 301 Y C 0.623 176.598 175.900 0.125 0.000 1.213 301 Y CA 0.429 58.642 58.100 0.189 0.000 1.391 301 Y CB 0.495 38.901 38.460 -0.090 0.000 1.293 301 Y HN 0.161 nan 8.280 nan 0.000 0.557 302 G N 2.927 111.280 108.800 -0.746 0.000 2.392 302 G HA2 -0.020 3.940 3.960 -0.000 0.000 0.260 302 G HA3 -0.020 3.940 3.960 -0.000 0.000 0.260 302 G C -1.011 173.571 174.900 -0.531 0.000 1.226 302 G CA -0.322 44.405 45.100 -0.620 0.000 0.913 302 G HN 0.574 nan 8.290 nan 0.000 0.483 303 Y N 0.271 120.410 120.300 -0.268 0.000 2.430 303 Y HA 0.364 4.914 4.550 -0.000 0.000 0.254 303 Y C 1.664 177.400 175.900 -0.274 0.000 1.088 303 Y CA -0.558 57.415 58.100 -0.212 0.000 1.267 303 Y CB 0.737 39.096 38.460 -0.167 0.000 1.204 303 Y HN -0.054 nan 8.280 nan 0.000 0.515 304 R N 1.929 122.227 120.500 -0.336 0.000 2.441 304 R HA 0.091 4.431 4.340 -0.000 0.000 0.284 304 R C 0.017 176.183 176.300 -0.223 0.000 1.070 304 R CA -0.170 55.723 56.100 -0.346 0.000 1.047 304 R CB 0.279 30.230 30.300 -0.581 0.000 1.016 304 R HN 0.311 nan 8.270 nan 0.000 0.477 305 E N 0.887 121.037 120.200 -0.084 0.000 2.360 305 E HA -0.258 4.092 4.350 -0.000 0.000 0.238 305 E C 0.551 177.171 176.600 0.033 0.000 1.186 305 E CA 0.444 56.850 56.400 0.010 0.000 0.719 305 E CB -1.370 28.389 29.700 0.098 0.000 1.236 305 E HN 1.152 nan 8.360 nan 0.000 0.386 306 G N 0.243 109.050 108.800 0.011 0.000 2.212 306 G HA2 -0.455 3.505 3.960 -0.000 0.000 0.267 306 G HA3 -0.455 3.505 3.960 -0.000 0.000 0.267 306 G C 0.922 175.860 174.900 0.062 0.000 1.002 306 G CA 1.154 46.278 45.100 0.039 0.000 0.729 306 G HN 0.938 nan 8.290 nan 0.000 0.517 307 S N -1.180 114.557 115.700 0.061 0.000 2.537 307 S HA -0.084 4.386 4.470 -0.000 0.000 0.240 307 S C 1.593 176.165 174.600 -0.048 0.000 0.981 307 S CA 1.462 59.727 58.200 0.108 0.000 0.948 307 S CB -0.277 63.095 63.200 0.288 0.000 0.759 307 S HN 0.771 nan 8.310 nan 0.000 0.531 308 H N 2.074 121.038 119.070 -0.176 0.000 2.546 308 H HA 0.029 4.585 4.556 -0.000 0.000 0.277 308 H C 2.027 177.308 175.328 -0.078 0.000 1.004 308 H CA 1.627 57.513 56.048 -0.270 0.000 1.231 308 H CB -0.290 29.416 29.762 -0.095 0.000 1.382 308 H HN 0.655 nan 8.280 nan 0.000 0.580 309 T N -2.440 112.133 114.554 0.033 0.000 3.113 309 T HA 0.005 4.355 4.350 -0.000 0.000 0.256 309 T C 0.901 175.649 174.700 0.080 0.000 1.131 309 T CA -0.163 61.972 62.100 0.057 0.000 1.074 309 T CB 0.129 69.038 68.868 0.068 0.000 0.944 309 T HN 0.141 nan 8.240 nan 0.000 0.516 310 E N 1.671 121.933 120.200 0.103 0.000 2.569 310 E HA 0.111 4.461 4.350 -0.000 0.000 0.258 310 E C -0.262 176.508 176.600 0.282 0.000 1.390 310 E CA 0.021 56.555 56.400 0.224 0.000 1.049 310 E CB 0.169 30.061 29.700 0.321 0.000 1.009 310 E HN 0.566 nan 8.360 nan 0.000 0.580 311 H N -0.890 118.293 119.070 0.189 0.000 2.502 311 H HA 0.303 4.859 4.556 -0.000 0.000 0.327 311 H C -0.918 174.416 175.328 0.010 0.000 1.099 311 H CA 0.072 56.178 56.048 0.097 0.000 1.323 311 H CB 0.981 30.786 29.762 0.071 0.000 1.450 311 H HN 0.207 nan 8.280 nan 0.000 0.502 312 T N 2.964 117.061 114.554 -0.762 0.000 2.991 312 T HA 0.259 4.609 4.350 -0.000 0.000 0.303 312 T C 0.044 174.332 174.700 -0.686 0.000 1.015 312 T CA -0.567 61.132 62.100 -0.668 0.000 1.007 312 T CB 0.915 69.364 68.868 -0.700 0.000 1.034 312 T HN 0.635 nan 8.240 nan 0.000 0.446 313 S N 3.139 118.527 115.700 -0.519 0.000 2.556 313 S HA 0.274 4.744 4.470 -0.000 0.000 0.216 313 S C -0.164 174.107 174.600 -0.548 0.000 0.970 313 S CA -0.022 57.865 58.200 -0.523 0.000 0.912 313 S CB -0.065 62.829 63.200 -0.511 0.000 0.790 313 S HN 0.710 nan 8.310 nan 0.000 0.504 314 Y N 0.720 120.927 120.300 -0.155 0.000 2.654 314 Y HA 0.750 5.300 4.550 -0.000 0.000 0.328 314 Y C 0.987 176.846 175.900 -0.068 0.000 1.174 314 Y CA -1.177 56.871 58.100 -0.086 0.000 1.293 314 Y CB -0.066 38.358 38.460 -0.061 0.000 1.464 314 Y HN 0.018 nan 8.280 nan 0.000 0.559 315 A N 0.228 123.151 122.820 0.173 0.000 2.523 315 A HA 0.559 4.879 4.320 -0.000 0.000 0.251 315 A C 1.208 178.880 177.584 0.145 0.000 1.706 315 A CA 0.601 52.708 52.037 0.116 0.000 0.847 315 A CB -0.987 18.075 19.000 0.104 0.000 1.571 315 A HN 0.907 nan 8.150 nan 0.000 0.625 316 A N -1.728 121.187 122.820 0.159 0.000 2.026 316 A HA 0.171 4.491 4.320 -0.000 0.000 0.198 316 A C 1.308 179.019 177.584 0.211 0.000 1.390 316 A CA 1.056 53.233 52.037 0.234 0.000 0.915 316 A CB -0.202 18.931 19.000 0.222 0.000 0.974 316 A HN 0.748 nan 8.150 nan 0.000 0.477 317 D N 0.055 120.530 120.400 0.124 0.000 2.371 317 D HA -0.074 4.566 4.640 -0.000 0.000 0.234 317 D C 1.383 177.719 176.300 0.059 0.000 1.049 317 D CA 0.303 54.343 54.000 0.067 0.000 0.907 317 D CB -0.260 40.564 40.800 0.040 0.000 0.891 317 D HN 0.451 nan 8.370 nan 0.000 0.531 318 R N -1.070 119.492 120.500 0.105 0.000 2.206 318 R HA 0.150 4.490 4.340 -0.000 0.000 0.198 318 R C 0.056 176.434 176.300 0.129 0.000 0.986 318 R CA -0.143 56.005 56.100 0.080 0.000 1.029 318 R CB 0.346 30.675 30.300 0.050 0.000 0.966 318 R HN 0.114 nan 8.270 nan 0.000 0.487 319 F N 1.956 121.934 119.950 0.047 0.000 2.420 319 F HA 0.378 4.905 4.527 -0.000 0.000 0.342 319 F C -0.786 175.052 175.800 0.063 0.000 1.113 319 F CA -0.501 57.548 58.000 0.082 0.000 1.059 319 F CB 0.904 40.003 39.000 0.165 0.000 1.128 319 F HN -0.372 nan 8.300 nan 0.000 0.475 320 K N 5.084 124.997 120.400 -0.812 0.000 2.501 320 K HA 0.242 4.562 4.320 -0.000 0.000 0.252 320 K C -1.570 174.509 176.600 -0.869 0.000 0.934 320 K CA -0.943 54.941 56.287 -0.671 0.000 0.797 320 K CB 2.445 34.587 32.500 -0.597 0.000 1.270 320 K HN 0.637 nan 8.250 nan 0.000 0.431 321 Q N 2.799 122.229 119.800 -0.617 0.000 2.357 321 Q HA 0.274 4.614 4.340 -0.000 0.000 0.266 321 Q C -1.220 174.660 176.000 -0.200 0.000 1.021 321 Q CA -0.649 54.853 55.803 -0.502 0.000 0.784 321 Q CB 1.458 29.858 28.738 -0.562 0.000 1.243 321 Q HN 0.372 nan 8.270 nan 0.000 0.465 322 V N 4.799 124.622 119.914 -0.152 0.000 2.313 322 V HA 0.092 4.212 4.120 -0.000 0.000 0.252 322 V C -0.598 175.509 176.094 0.022 0.000 1.112 322 V CA -0.379 61.919 62.300 -0.005 0.000 0.984 322 V CB 0.322 32.174 31.823 0.048 0.000 1.157 322 V HN 0.794 nan 8.190 nan 0.000 0.493 323 D N 4.031 124.438 120.400 0.013 0.000 2.417 323 D HA 0.438 5.078 4.640 -0.000 0.000 0.250 323 D C 1.124 177.450 176.300 0.043 0.000 1.166 323 D CA 1.240 55.246 54.000 0.010 0.000 0.881 323 D CB 0.798 41.596 40.800 -0.004 0.000 1.164 323 D HN 0.824 nan 8.370 nan 0.000 0.467 324 G N 2.284 111.092 108.800 0.013 0.000 2.248 324 G HA2 -0.275 3.685 3.960 -0.000 0.000 0.263 324 G HA3 -0.275 3.685 3.960 -0.000 0.000 0.263 324 G C -0.140 174.731 174.900 -0.048 0.000 1.082 324 G CA -0.612 44.464 45.100 -0.040 0.000 0.863 324 G HN 0.470 nan 8.290 nan 0.000 0.495 325 F N 1.304 121.150 119.950 -0.174 0.000 2.420 325 F HA 0.668 5.195 4.527 -0.000 0.000 0.352 325 F C 0.001 175.669 175.800 -0.220 0.000 1.108 325 F CA -1.454 56.481 58.000 -0.108 0.000 1.162 325 F CB 0.493 39.454 39.000 -0.065 0.000 1.118 325 F HN 0.139 nan 8.300 nan 0.000 0.510 326 Y N 6.126 125.937 120.300 -0.815 0.000 2.491 326 Y HA 0.561 5.111 4.550 -0.000 0.000 0.334 326 Y C 0.702 175.947 175.900 -1.091 0.000 0.969 326 Y CA -0.703 56.974 58.100 -0.705 0.000 1.241 326 Y CB 0.456 38.703 38.460 -0.354 0.000 1.105 326 Y HN 0.864 nan 8.280 nan 0.000 0.503 327 A N 3.972 126.299 122.820 -0.822 0.000 2.364 327 A HA 0.485 4.805 4.320 -0.000 0.000 0.258 327 A C 0.172 177.653 177.584 -0.171 0.000 1.131 327 A CA -0.314 51.488 52.037 -0.393 0.000 0.800 327 A CB 0.380 19.424 19.000 0.073 0.000 1.086 327 A HN 0.792 nan 8.150 nan 0.000 0.508 328 R N 0.391 120.856 120.500 -0.058 0.000 2.810 328 R HA 0.081 4.421 4.340 -0.000 0.000 0.280 328 R C -1.539 174.720 176.300 -0.068 0.000 1.517 328 R CA -0.524 55.538 56.100 -0.063 0.000 1.063 328 R CB 0.710 30.963 30.300 -0.079 0.000 1.275 328 R HN 0.955 nan 8.270 nan 0.000 0.464 329 D N 4.730 125.101 120.400 -0.049 0.000 2.570 329 D HA -0.071 4.569 4.640 -0.000 0.000 0.243 329 D C 1.147 177.367 176.300 -0.133 0.000 1.171 329 D CA 0.393 54.354 54.000 -0.066 0.000 0.879 329 D CB 0.921 41.723 40.800 0.004 0.000 1.143 329 D HN 0.572 nan 8.370 nan 0.000 0.511 330 L N 3.108 124.145 121.223 -0.310 0.000 2.095 330 L HA -0.129 4.211 4.340 -0.000 0.000 0.204 330 L C 2.529 179.286 176.870 -0.190 0.000 1.080 330 L CA 0.772 55.381 54.840 -0.386 0.000 0.759 330 L CB -0.638 40.920 42.059 -0.835 0.000 0.914 330 L HN 0.392 nan 8.230 nan 0.000 0.439 331 T N -0.765 113.778 114.554 -0.019 0.000 2.720 331 T HA -0.181 4.169 4.350 -0.000 0.000 0.268 331 T C 1.858 176.615 174.700 0.096 0.000 1.037 331 T CA 2.109 64.335 62.100 0.211 0.000 1.144 331 T CB -0.311 68.796 68.868 0.398 0.000 0.864 331 T HN 0.550 nan 8.240 nan 0.000 0.444 332 T N -0.981 113.608 114.554 0.057 0.000 3.065 332 T HA 0.179 4.529 4.350 -0.000 0.000 0.252 332 T C 0.920 175.621 174.700 0.003 0.000 1.099 332 T CA 0.197 62.318 62.100 0.034 0.000 1.063 332 T CB -0.278 68.612 68.868 0.036 0.000 0.948 332 T HN 0.459 nan 8.240 nan 0.000 0.506 333 K N 0.360 120.746 120.400 -0.024 0.000 3.193 333 K HA -0.146 4.174 4.320 -0.000 0.000 0.294 333 K C 0.125 176.703 176.600 -0.035 0.000 1.185 333 K CA 0.375 56.637 56.287 -0.041 0.000 0.866 333 K CB -2.282 30.200 32.500 -0.031 0.000 1.227 333 K HN 0.656 nan 8.250 nan 0.000 0.467 334 A N 1.775 124.580 122.820 -0.025 0.000 2.252 334 A HA 0.490 4.810 4.320 -0.000 0.000 0.309 334 A C 0.253 177.821 177.584 -0.027 0.000 1.285 334 A CA -0.511 51.514 52.037 -0.020 0.000 0.900 334 A CB 0.750 19.748 19.000 -0.004 0.000 1.157 334 A HN 0.285 nan 8.150 nan 0.000 0.536 335 R N 2.445 122.922 120.500 -0.037 0.000 2.697 335 R HA 0.261 4.601 4.340 -0.000 0.000 0.265 335 R C 0.633 176.924 176.300 -0.016 0.000 1.009 335 R CA 0.959 57.033 56.100 -0.044 0.000 1.099 335 R CB 0.047 30.309 30.300 -0.064 0.000 0.965 335 R HN 0.979 nan 8.270 nan 0.000 0.428 336 A N 2.785 125.599 122.820 -0.010 0.000 2.507 336 A HA 0.078 4.397 4.320 -0.000 0.000 0.235 336 A C 1.336 178.958 177.584 0.062 0.000 1.070 336 A CA 0.420 52.468 52.037 0.019 0.000 0.768 336 A CB -0.174 18.820 19.000 -0.011 0.000 1.011 336 A HN 0.984 nan 8.150 nan 0.000 0.502 337 T N -0.480 114.108 114.554 0.056 0.000 2.732 337 T HA 0.338 4.688 4.350 -0.000 0.000 0.261 337 T C 0.790 175.553 174.700 0.104 0.000 1.040 337 T CA 1.111 63.250 62.100 0.066 0.000 1.145 337 T CB -0.343 68.552 68.868 0.046 0.000 0.866 337 T HN 1.579 nan 8.240 nan 0.000 0.427 338 A N 2.308 125.165 122.820 0.061 0.000 2.384 338 A HA 0.782 5.102 4.320 -0.000 0.000 0.312 338 A C -2.696 174.780 177.584 -0.180 0.000 1.113 338 A CA -2.177 49.867 52.037 0.013 0.000 0.779 338 A CB 1.115 20.119 19.000 0.006 0.000 1.307 338 A HN 0.337 nan 8.150 nan 0.000 0.436 339 P HA 0.480 nan 4.420 nan 0.000 0.276 339 P C -0.380 176.762 177.300 -0.263 0.000 1.261 339 P CA 0.045 62.689 63.100 -0.759 0.000 0.800 339 P CB 1.367 32.478 31.700 -0.982 0.000 1.066 340 T N -1.722 112.751 114.554 -0.135 0.000 2.889 340 T HA 0.285 4.635 4.350 -0.000 0.000 0.315 340 T C -0.686 174.055 174.700 0.067 0.000 1.291 340 T CA -0.438 61.678 62.100 0.026 0.000 1.028 340 T CB 0.434 69.366 68.868 0.106 0.000 1.235 340 T HN 0.212 nan 8.240 nan 0.000 0.491 341 T N 3.813 118.406 114.554 0.065 0.000 4.219 341 T HA 0.232 4.582 4.350 -0.000 0.000 0.263 341 T C 0.477 175.157 174.700 -0.033 0.000 1.217 341 T CA -0.295 61.820 62.100 0.024 0.000 1.145 341 T CB -0.790 68.105 68.868 0.045 0.000 1.298 341 T HN 0.475 nan 8.240 nan 0.000 0.999 342 R N 2.957 123.406 120.500 -0.085 0.000 2.570 342 R HA 0.098 4.438 4.340 -0.000 0.000 0.277 342 R C -0.210 175.845 176.300 -0.410 0.000 1.039 342 R CA 0.143 56.081 56.100 -0.271 0.000 1.065 342 R CB 0.072 30.025 30.300 -0.578 0.000 0.964 342 R HN 0.223 nan 8.270 nan 0.000 0.428 343 N N 3.754 122.089 118.700 -0.608 0.000 2.400 343 N HA 0.349 5.089 4.740 -0.000 0.000 0.288 343 N C -1.368 173.789 175.510 -0.588 0.000 1.024 343 N CA -0.425 52.122 53.050 -0.838 0.000 0.894 343 N CB 1.388 38.991 38.487 -1.474 0.000 1.173 343 N HN 0.308 nan 8.380 nan 0.000 0.487 344 L N 2.676 123.663 121.223 -0.394 0.000 2.377 344 L HA 0.442 4.782 4.340 -0.000 0.000 0.270 344 L C -0.840 176.108 176.870 0.130 0.000 0.991 344 L CA -0.490 54.347 54.840 -0.005 0.000 0.851 344 L CB 1.406 43.468 42.059 0.004 0.000 1.218 344 L HN 0.314 nan 8.230 nan 0.000 0.420 345 L N 2.560 124.049 121.223 0.444 0.000 2.329 345 L HA 0.763 5.103 4.340 -0.000 0.000 0.279 345 L C -0.203 176.728 176.870 0.101 0.000 1.014 345 L CA 0.280 55.314 54.840 0.323 0.000 0.814 345 L CB 2.075 44.389 42.059 0.426 0.000 1.257 345 L HN 0.504 nan 8.230 nan 0.000 0.424 346 T N 3.261 117.784 114.554 -0.052 0.000 2.842 346 T HA 0.427 4.777 4.350 -0.000 0.000 0.308 346 T C 0.024 174.527 174.700 -0.329 0.000 1.041 346 T CA -0.380 61.641 62.100 -0.131 0.000 0.964 346 T CB 0.599 69.457 68.868 -0.016 0.000 0.972 346 T HN 0.827 nan 8.240 nan 0.000 0.460 347 T N 1.753 115.958 114.554 -0.581 0.000 2.788 347 T HA 0.292 4.642 4.350 -0.000 0.000 0.287 347 T C -1.687 172.840 174.700 -0.289 0.000 1.007 347 T CA -1.740 60.020 62.100 -0.566 0.000 1.005 347 T CB 0.568 68.874 68.868 -0.937 0.000 1.012 347 T HN 0.066 nan 8.240 nan 0.000 0.530 348 P HA -0.041 nan 4.420 nan 0.000 0.217 348 P C 1.185 178.467 177.300 -0.030 0.000 1.148 348 P CA 1.262 64.356 63.100 -0.010 0.000 0.828 348 P CB 0.097 31.827 31.700 0.051 0.000 0.783 349 K N -2.248 118.104 120.400 -0.080 0.000 2.352 349 K HA 0.159 4.479 4.320 -0.000 0.000 0.194 349 K C 0.618 177.276 176.600 0.096 0.000 1.038 349 K CA 0.442 56.732 56.287 0.005 0.000 1.023 349 K CB 0.325 32.877 32.500 0.087 0.000 0.840 349 K HN 0.267 nan 8.250 nan 0.000 0.519 350 F N -2.514 117.408 119.950 -0.045 0.000 3.169 350 F HA 0.413 4.940 4.527 -0.000 0.000 0.325 350 F C -1.500 174.342 175.800 0.070 0.000 1.175 350 F CA -1.139 56.872 58.000 0.018 0.000 0.887 350 F CB 1.173 40.128 39.000 -0.075 0.000 1.457 350 F HN -0.435 nan 8.300 nan 0.000 0.496 351 T N 1.668 116.517 114.554 0.491 0.000 2.949 351 T HA 0.553 4.903 4.350 -0.000 0.000 0.300 351 T C -1.751 173.335 174.700 0.642 0.000 0.988 351 T CA -0.585 61.741 62.100 0.376 0.000 0.993 351 T CB 1.434 70.484 68.868 0.302 0.000 0.984 351 T HN 0.833 nan 8.240 nan 0.000 0.442 352 V N 3.172 123.428 119.914 0.570 0.000 2.435 352 V HA 0.911 5.031 4.120 -0.000 0.000 0.290 352 V C -0.523 175.980 176.094 0.681 0.000 1.030 352 V CA -0.488 62.169 62.300 0.594 0.000 0.881 352 V CB 0.928 33.084 31.823 0.555 0.000 0.983 352 V HN 1.079 nan 8.190 nan 0.000 0.445 353 A N 6.749 129.978 122.820 0.683 0.000 2.365 353 A HA 1.009 5.329 4.320 -0.000 0.000 0.318 353 A C -1.181 176.837 177.584 0.723 0.000 1.091 353 A CA -0.474 51.954 52.037 0.651 0.000 0.763 353 A CB 1.206 20.470 19.000 0.441 0.000 1.248 353 A HN 1.818 nan 8.150 nan 0.000 0.442 354 W N 0.889 122.292 121.300 0.171 0.000 3.419 354 W HA 0.549 5.209 4.660 -0.000 0.000 0.298 354 W C -1.863 174.746 176.519 0.149 0.000 1.260 354 W CA -0.840 56.610 57.345 0.174 0.000 1.199 354 W CB 0.566 30.173 29.460 0.245 0.000 1.349 354 W HN 0.503 nan 8.180 nan 0.000 0.557 355 D N 2.364 122.821 120.400 0.096 0.000 2.371 355 D HA 0.016 4.656 4.640 -0.000 0.000 0.256 355 D C -0.426 175.842 176.300 -0.053 0.000 1.193 355 D CA 0.498 54.499 54.000 0.001 0.000 0.881 355 D CB 0.501 41.368 40.800 0.112 0.000 1.143 355 D HN 0.527 nan 8.370 nan 0.000 0.473 356 W N 3.833 124.958 121.300 -0.292 0.000 2.158 356 W HA 0.317 4.977 4.660 -0.000 0.000 0.339 356 W C -0.405 176.100 176.519 -0.024 0.000 1.294 356 W CA -0.185 57.044 57.345 -0.193 0.000 1.231 356 W CB 0.536 29.887 29.460 -0.181 0.000 1.143 356 W HN 0.219 nan 8.180 nan 0.000 0.571 357 V N 3.197 122.525 119.914 -0.977 0.000 3.114 357 V HA 0.631 4.751 4.120 -0.000 0.000 0.308 357 V C -2.646 172.633 176.094 -1.359 0.000 1.168 357 V CA -3.079 58.721 62.300 -0.834 0.000 1.015 357 V CB 1.341 33.003 31.823 -0.268 0.000 1.050 357 V HN 0.500 nan 8.190 nan 0.000 0.433 358 P HA 0.221 nan 4.420 nan 0.000 0.270 358 P C 0.092 177.050 177.300 -0.570 0.000 1.227 358 P CA -0.017 62.774 63.100 -0.515 0.000 0.788 358 P CB 0.858 32.441 31.700 -0.195 0.000 0.926 359 K N 1.570 121.520 120.400 -0.749 0.000 2.118 359 K HA 0.045 4.365 4.320 -0.000 0.000 0.214 359 K C 1.976 178.096 176.600 -0.799 0.000 1.023 359 K CA 0.299 55.732 56.287 -1.424 0.000 0.948 359 K CB -0.176 31.590 32.500 -1.224 0.000 0.851 359 K HN 0.117 nan 8.250 nan 0.000 0.455 360 R N 0.688 120.904 120.500 -0.474 0.000 2.134 360 R HA -0.148 4.192 4.340 -0.000 0.000 0.248 360 R C -0.828 175.342 176.300 -0.217 0.000 1.143 360 R CA 2.149 58.076 56.100 -0.289 0.000 0.957 360 R CB -1.315 28.877 30.300 -0.180 0.000 0.867 360 R HN 0.400 nan 8.270 nan 0.000 0.441 361 P HA 0.012 nan 4.420 nan 0.000 0.222 361 P C 0.697 177.950 177.300 -0.079 0.000 1.153 361 P CA 1.278 64.317 63.100 -0.103 0.000 0.798 361 P CB 0.179 31.833 31.700 -0.076 0.000 0.796 362 S N -0.460 115.160 115.700 -0.134 0.000 2.446 362 S HA 0.064 4.534 4.470 -0.000 0.000 0.225 362 S C 1.276 175.891 174.600 0.024 0.000 1.016 362 S CA 0.467 58.664 58.200 -0.005 0.000 0.943 362 S CB -0.392 62.833 63.200 0.041 0.000 0.786 362 S HN 0.115 nan 8.310 nan 0.000 0.508 363 V N -2.114 117.707 119.914 -0.155 0.000 3.126 363 V HA 0.885 5.005 4.120 -0.000 0.000 0.314 363 V C -0.629 175.420 176.094 -0.075 0.000 1.138 363 V CA -1.252 60.966 62.300 -0.136 0.000 1.034 363 V CB 1.450 33.004 31.823 -0.448 0.000 1.075 363 V HN 0.144 nan 8.190 nan 0.000 0.442 364 c N 1.619 120.223 118.600 0.007 0.000 3.199 364 c HA 0.577 5.147 4.570 -0.000 0.000 0.392 364 c C 1.251 175.399 174.090 0.096 0.000 1.050 364 c CA 0.510 56.861 56.329 0.037 0.000 1.222 364 c CB 1.134 43.667 42.510 0.038 0.000 1.595 364 c HN 1.401 nan 8.230 nan 0.000 0.560 365 T N 1.681 116.278 114.554 0.071 0.000 3.160 365 T HA 0.230 4.580 4.350 -0.000 0.000 0.257 365 T C 0.571 175.283 174.700 0.020 0.000 1.147 365 T CA 0.473 62.600 62.100 0.044 0.000 1.064 365 T CB -0.158 68.677 68.868 -0.054 0.000 0.949 365 T HN 0.582 nan 8.240 nan 0.000 0.526 366 M N 1.176 120.803 119.600 0.044 0.000 2.644 366 M HA 0.527 5.007 4.480 -0.000 0.000 0.304 366 M C -0.928 175.489 176.300 0.195 0.000 1.215 366 M CA -0.475 54.877 55.300 0.087 0.000 0.871 366 M CB 1.992 34.614 32.600 0.036 0.000 1.740 366 M HN -0.092 nan 8.290 nan 0.000 0.464 367 T N 0.909 115.636 114.554 0.289 0.000 2.921 367 T HA 0.289 4.639 4.350 -0.000 0.000 0.297 367 T C -0.459 174.447 174.700 0.343 0.000 1.013 367 T CA -0.775 61.509 62.100 0.307 0.000 0.990 367 T CB 2.190 71.166 68.868 0.181 0.000 1.023 367 T HN 0.546 nan 8.240 nan 0.000 0.447 368 K N 1.921 122.448 120.400 0.212 0.000 2.453 368 K HA -0.005 4.315 4.320 -0.000 0.000 0.280 368 K C -0.044 176.533 176.600 -0.037 0.000 1.045 368 K CA 0.135 56.219 56.287 -0.338 0.000 1.059 368 K CB 0.322 32.643 32.500 -0.297 0.000 0.901 368 K HN 0.698 nan 8.250 nan 0.000 0.475 369 W N 3.751 124.895 121.300 -0.260 0.000 2.850 369 W HA 0.142 4.802 4.660 -0.000 0.000 0.260 369 W C -0.324 176.126 176.519 -0.114 0.000 1.129 369 W CA 0.536 57.823 57.345 -0.096 0.000 1.587 369 W CB 0.798 30.271 29.460 0.022 0.000 1.041 369 W HN 0.417 nan 8.180 nan 0.000 0.614 370 Q N 1.308 120.916 119.800 -0.321 0.000 2.331 370 Q HA 0.239 4.579 4.340 -0.000 0.000 0.272 370 Q C -1.488 174.330 176.000 -0.303 0.000 1.062 370 Q CA -0.409 55.108 55.803 -0.476 0.000 0.806 370 Q CB 2.183 30.477 28.738 -0.741 0.000 1.312 370 Q HN 0.162 nan 8.270 nan 0.000 0.431 371 E N 1.389 121.445 120.200 -0.240 0.000 2.134 371 E HA 0.450 4.800 4.350 -0.000 0.000 0.278 371 E C -0.821 175.704 176.600 -0.125 0.000 0.959 371 E CA -0.524 55.782 56.400 -0.156 0.000 0.783 371 E CB 1.861 31.494 29.700 -0.112 0.000 1.095 371 E HN 0.141 nan 8.360 nan 0.000 0.399 372 V N 4.288 124.153 119.914 -0.081 0.000 2.350 372 V HA 0.037 4.157 4.120 -0.000 0.000 0.285 372 V C 0.126 176.233 176.094 0.021 0.000 1.014 372 V CA -0.522 61.754 62.300 -0.040 0.000 0.831 372 V CB 1.328 33.138 31.823 -0.022 0.000 1.000 372 V HN 0.650 nan 8.190 nan 0.000 0.433 373 D N 2.502 122.921 120.400 0.031 0.000 2.078 373 D HA -0.094 4.546 4.640 -0.000 0.000 0.193 373 D C 0.753 177.150 176.300 0.162 0.000 0.990 373 D CA 1.479 55.540 54.000 0.103 0.000 0.827 373 D CB 0.252 41.078 40.800 0.043 0.000 0.975 373 D HN 0.661 nan 8.370 nan 0.000 0.451 374 E N -0.024 120.245 120.200 0.114 0.000 2.028 374 E HA 0.284 4.634 4.350 -0.000 0.000 0.266 374 E C -0.695 175.982 176.600 0.128 0.000 0.962 374 E CA -0.363 56.113 56.400 0.127 0.000 0.784 374 E CB 1.094 30.853 29.700 0.098 0.000 1.114 374 E HN -0.015 nan 8.360 nan 0.000 0.414 375 M N 4.573 124.281 119.600 0.179 0.000 2.006 375 M HA 0.260 4.740 4.480 -0.000 0.000 0.314 375 M C -1.720 174.764 176.300 0.307 0.000 0.926 375 M CA -0.412 55.050 55.300 0.270 0.000 0.906 375 M CB 0.455 33.270 32.600 0.358 0.000 1.422 375 M HN 0.357 nan 8.290 nan 0.000 0.397 376 L N 4.502 125.816 121.223 0.151 0.000 2.325 376 L HA 0.402 4.742 4.340 -0.000 0.000 0.284 376 L C 0.369 177.123 176.870 -0.194 0.000 1.089 376 L CA -0.288 54.578 54.840 0.043 0.000 0.836 376 L CB 0.274 42.323 42.059 -0.017 0.000 1.184 376 L HN 0.659 nan 8.230 nan 0.000 0.444 377 R N 3.268 123.498 120.500 -0.449 0.000 2.308 377 R HA 0.464 4.804 4.340 -0.000 0.000 0.305 377 R C -0.633 175.345 176.300 -0.536 0.000 1.053 377 R CA -0.188 55.217 56.100 -1.158 0.000 0.957 377 R CB 1.023 30.256 30.300 -1.779 0.000 1.022 377 R HN 0.740 nan 8.270 nan 0.000 0.461 378 S N 2.196 117.649 115.700 -0.412 0.000 2.566 378 S HA 0.165 4.635 4.470 -0.000 0.000 0.273 378 S C -1.008 173.675 174.600 0.138 0.000 1.157 378 S CA -1.091 57.078 58.200 -0.051 0.000 0.938 378 S CB 1.598 64.859 63.200 0.102 0.000 1.087 378 S HN 0.772 nan 8.310 nan 0.000 0.474 379 E N 1.895 122.235 120.200 0.234 0.000 2.313 379 E HA 0.438 4.788 4.350 -0.000 0.000 0.276 379 E C -1.698 175.015 176.600 0.188 0.000 1.031 379 E CA -0.546 55.985 56.400 0.219 0.000 0.857 379 E CB 0.791 30.550 29.700 0.099 0.000 1.040 379 E HN 0.737 nan 8.360 nan 0.000 0.408 380 Y N 2.428 122.737 120.300 0.015 0.000 2.333 380 Y HA 0.343 4.893 4.550 -0.000 0.000 0.319 380 Y C 0.040 175.944 175.900 0.006 0.000 1.200 380 Y CA 0.280 58.383 58.100 0.004 0.000 1.084 380 Y CB 1.521 39.992 38.460 0.018 0.000 1.268 380 Y HN 0.711 nan 8.280 nan 0.000 0.422 381 G N 3.249 111.786 108.800 -0.438 0.000 2.225 381 G HA2 0.092 4.052 3.960 -0.000 0.000 0.264 381 G HA3 0.092 4.052 3.960 -0.000 0.000 0.264 381 G C 0.948 175.779 174.900 -0.115 0.000 1.060 381 G CA 0.796 45.728 45.100 -0.280 0.000 0.833 381 G HN 2.206 nan 8.290 nan 0.000 0.498 382 G N -2.320 106.406 108.800 -0.123 0.000 2.198 382 G HA2 0.083 4.043 3.960 -0.000 0.000 0.260 382 G HA3 0.083 4.043 3.960 -0.000 0.000 0.260 382 G C 0.307 175.151 174.900 -0.094 0.000 1.025 382 G CA 0.951 45.989 45.100 -0.103 0.000 0.769 382 G HN 1.839 nan 8.290 nan 0.000 0.507 383 S N -1.573 114.081 115.700 -0.077 0.000 2.625 383 S HA 0.799 5.269 4.470 -0.000 0.000 0.271 383 S C -0.900 173.696 174.600 -0.006 0.000 1.161 383 S CA -0.810 57.362 58.200 -0.046 0.000 0.820 383 S CB 1.459 64.704 63.200 0.076 0.000 1.137 383 S HN 0.281 nan 8.310 nan 0.000 0.470 384 F N 1.705 121.704 119.950 0.082 0.000 2.380 384 F HA 0.636 5.163 4.527 -0.000 0.000 0.321 384 F C 0.753 176.574 175.800 0.034 0.000 1.103 384 F CA -0.872 57.123 58.000 -0.010 0.000 1.067 384 F CB 0.819 39.798 39.000 -0.036 0.000 1.265 384 F HN 0.305 nan 8.300 nan 0.000 0.517 385 R N 1.270 121.818 120.500 0.079 0.000 2.533 385 R HA 0.412 4.752 4.340 -0.000 0.000 0.288 385 R C -2.017 174.138 176.300 -0.241 0.000 1.039 385 R CA -0.569 55.572 56.100 0.068 0.000 0.909 385 R CB 1.536 31.896 30.300 0.099 0.000 1.195 385 R HN 0.341 nan 8.270 nan 0.000 0.438 386 F N 1.444 121.452 119.950 0.098 0.000 2.434 386 F HA 0.224 4.751 4.527 -0.000 0.000 0.367 386 F C 0.294 176.223 175.800 0.214 0.000 1.093 386 F CA -0.793 57.250 58.000 0.071 0.000 1.085 386 F CB 1.938 40.940 39.000 0.004 0.000 1.322 386 F HN 0.328 nan 8.300 nan 0.000 0.452 387 S N 0.737 116.606 115.700 0.281 0.000 2.466 387 S HA 0.281 4.751 4.470 -0.000 0.000 0.313 387 S C 0.073 174.895 174.600 0.370 0.000 1.078 387 S CA -0.654 57.778 58.200 0.388 0.000 1.115 387 S CB 1.073 64.452 63.200 0.298 0.000 1.006 387 S HN 0.438 nan 8.310 nan 0.000 0.487 388 S N 2.512 118.392 115.700 0.299 0.000 2.494 388 S HA 0.061 4.531 4.470 -0.000 0.000 0.312 388 S C 1.085 175.696 174.600 0.018 0.000 1.121 388 S CA -0.588 57.693 58.200 0.134 0.000 1.068 388 S CB -0.044 63.190 63.200 0.057 0.000 1.141 388 S HN 0.804 nan 8.310 nan 0.000 0.527 389 D N 4.746 125.244 120.400 0.163 0.000 2.218 389 D HA -0.147 4.493 4.640 -0.000 0.000 0.204 389 D C 1.809 178.062 176.300 -0.079 0.000 0.976 389 D CA 1.166 55.245 54.000 0.132 0.000 0.853 389 D CB 0.037 40.950 40.800 0.188 0.000 0.939 389 D HN 0.738 nan 8.370 nan 0.000 0.481 390 A N 1.106 123.883 122.820 -0.072 0.000 1.940 390 A HA -0.154 4.166 4.320 -0.000 0.000 0.219 390 A C 2.281 179.760 177.584 -0.175 0.000 1.176 390 A CA 1.748 53.723 52.037 -0.102 0.000 0.631 390 A CB -0.546 18.406 19.000 -0.080 0.000 0.814 390 A HN 0.574 nan 8.150 nan 0.000 0.446 391 I N -5.902 114.514 120.570 -0.257 0.000 4.147 391 I HA 0.286 4.456 4.170 -0.000 0.000 0.329 391 I C 0.004 175.821 176.117 -0.500 0.000 1.424 391 I CA 0.343 61.454 61.300 -0.315 0.000 1.127 391 I CB 0.219 38.044 38.000 -0.292 0.000 1.128 391 I HN 0.039 nan 8.210 nan 0.000 0.417 392 S N 1.327 116.543 115.700 -0.807 0.000 3.667 392 S HA -0.132 4.338 4.470 -0.000 0.000 0.405 392 S C 0.036 173.654 174.600 -1.636 0.000 0.913 392 S CA 0.953 58.152 58.200 -1.669 0.000 1.288 392 S CB -2.228 60.493 63.200 -0.798 0.000 0.905 392 S HN 0.769 nan 8.310 nan 0.000 0.550 393 T N 1.207 114.905 114.554 -1.426 0.000 2.956 393 T HA 0.642 4.992 4.350 -0.000 0.000 0.312 393 T C -0.396 174.227 174.700 -0.128 0.000 1.151 393 T CA -0.685 61.041 62.100 -0.623 0.000 1.024 393 T CB 2.314 70.883 68.868 -0.499 0.000 1.140 393 T HN 0.195 nan 8.240 nan 0.000 0.473 394 T N 2.590 117.046 114.554 -0.163 0.000 2.881 394 T HA 0.696 5.046 4.350 -0.000 0.000 0.290 394 T C -1.168 173.379 174.700 -0.255 0.000 1.000 394 T CA -0.492 61.629 62.100 0.036 0.000 0.978 394 T CB 0.544 69.542 68.868 0.218 0.000 0.997 394 T HN 0.362 nan 8.240 nan 0.000 0.443 395 F N 1.076 121.125 119.950 0.164 0.000 2.523 395 F HA 0.700 5.227 4.527 -0.000 0.000 0.329 395 F C 0.796 176.749 175.800 0.255 0.000 1.061 395 F CA -0.850 57.246 58.000 0.161 0.000 0.967 395 F CB 1.907 40.967 39.000 0.099 0.000 1.218 395 F HN 0.312 nan 8.300 nan 0.000 0.480 396 T N 0.319 115.135 114.554 0.437 0.000 2.841 396 T HA 0.619 4.969 4.350 -0.000 0.000 0.285 396 T C -0.325 174.583 174.700 0.347 0.000 0.991 396 T CA -0.811 61.507 62.100 0.363 0.000 0.966 396 T CB 1.579 70.612 68.868 0.275 0.000 0.962 396 T HN 0.815 nan 8.240 nan 0.000 0.438 397 T N 0.596 115.362 114.554 0.353 0.000 2.804 397 T HA 0.605 4.955 4.350 -0.000 0.000 0.290 397 T C -0.393 174.460 174.700 0.257 0.000 1.099 397 T CA -0.941 61.352 62.100 0.322 0.000 1.011 397 T CB 1.263 70.366 68.868 0.392 0.000 1.291 397 T HN 0.287 nan 8.240 nan 0.000 0.523 398 N N -0.111 118.732 118.700 0.239 0.000 2.366 398 N HA 0.398 5.138 4.740 -0.000 0.000 0.277 398 N C 0.757 176.329 175.510 0.103 0.000 1.275 398 N CA -0.753 52.381 53.050 0.140 0.000 0.964 398 N CB 0.224 38.794 38.487 0.138 0.000 1.167 398 N HN 0.595 nan 8.380 nan 0.000 0.568 399 L N 0.078 121.285 121.223 -0.026 0.000 2.611 399 L HA 0.176 4.516 4.340 -0.000 0.000 0.229 399 L C 0.082 177.041 176.870 0.148 0.000 1.137 399 L CA 0.464 55.205 54.840 -0.165 0.000 0.901 399 L CB -0.185 41.720 42.059 -0.258 0.000 1.098 399 L HN 0.272 nan 8.230 nan 0.000 0.456 400 T N -0.720 113.980 114.554 0.243 0.000 2.863 400 T HA 0.305 4.655 4.350 -0.000 0.000 0.285 400 T C 0.042 174.881 174.700 0.233 0.000 1.009 400 T CA -0.687 61.547 62.100 0.223 0.000 0.989 400 T CB 2.249 71.188 68.868 0.118 0.000 1.004 400 T HN 0.045 nan 8.240 nan 0.000 0.455 401 E N 0.773 121.005 120.200 0.053 0.000 2.435 401 E HA 0.076 4.426 4.350 -0.000 0.000 0.256 401 E C -1.101 175.520 176.600 0.033 0.000 1.245 401 E CA -0.071 56.221 56.400 -0.180 0.000 0.989 401 E CB 0.504 30.078 29.700 -0.210 0.000 0.983 401 E HN 0.553 nan 8.360 nan 0.000 0.480 402 Y N 1.004 121.261 120.300 -0.071 0.000 2.345 402 Y HA 0.262 4.812 4.550 -0.000 0.000 0.331 402 Y C -2.293 173.575 175.900 -0.053 0.000 0.959 402 Y CA -2.743 55.347 58.100 -0.017 0.000 1.204 402 Y CB 1.179 39.654 38.460 0.024 0.000 1.135 402 Y HN 0.217 nan 8.280 nan 0.000 0.477 403 P HA 0.065 nan 4.420 nan 0.000 0.264 403 P C 0.489 177.656 177.300 -0.220 0.000 1.229 403 P CA 0.413 63.364 63.100 -0.248 0.000 0.780 403 P CB 0.576 32.112 31.700 -0.273 0.000 0.808 404 L N 1.887 123.017 121.223 -0.156 0.000 2.549 404 L HA -0.172 4.168 4.340 -0.000 0.000 0.230 404 L C 2.155 178.954 176.870 -0.119 0.000 1.162 404 L CA 1.196 55.944 54.840 -0.153 0.000 0.834 404 L CB -0.773 41.105 42.059 -0.302 0.000 0.947 404 L HN 0.410 nan 8.230 nan 0.000 0.452 405 S N 0.202 115.827 115.700 -0.125 0.000 2.368 405 S HA -0.195 4.275 4.470 -0.000 0.000 0.225 405 S C 1.941 176.492 174.600 -0.082 0.000 1.030 405 S CA 0.660 58.802 58.200 -0.097 0.000 0.999 405 S CB -0.327 62.816 63.200 -0.095 0.000 0.844 405 S HN 0.453 nan 8.310 nan 0.000 0.459 406 R N 0.907 121.340 120.500 -0.112 0.000 2.339 406 R HA 0.210 4.550 4.340 -0.000 0.000 0.199 406 R C -0.211 176.090 176.300 0.002 0.000 1.018 406 R CA 0.096 56.150 56.100 -0.076 0.000 1.036 406 R CB -0.345 29.863 30.300 -0.154 0.000 0.899 406 R HN 0.302 nan 8.270 nan 0.000 0.473 407 V N 1.318 121.237 119.914 0.009 0.000 2.686 407 V HA 0.059 4.179 4.120 -0.000 0.000 0.295 407 V C 0.060 176.152 176.094 -0.003 0.000 1.057 407 V CA -0.587 61.726 62.300 0.023 0.000 1.012 407 V CB 1.671 33.492 31.823 -0.003 0.000 1.006 407 V HN 0.001 nan 8.190 nan 0.000 0.477 408 D N 3.479 123.885 120.400 0.010 0.000 2.349 408 D HA 0.432 5.072 4.640 -0.000 0.000 0.232 408 D C 0.576 176.902 176.300 0.044 0.000 1.071 408 D CA -0.318 53.706 54.000 0.041 0.000 0.832 408 D CB 1.037 41.896 40.800 0.100 0.000 1.086 408 D HN 0.546 nan 8.370 nan 0.000 0.504 409 L N 2.531 123.762 121.223 0.013 0.000 4.625 409 L HA -0.242 4.098 4.340 -0.000 0.000 0.428 409 L C 1.318 178.164 176.870 -0.039 0.000 1.129 409 L CA 0.801 55.630 54.840 -0.017 0.000 0.978 409 L CB -1.238 40.840 42.059 0.031 0.000 2.043 409 L HN 0.566 nan 8.230 nan 0.000 0.847 410 G N -0.854 107.915 108.800 -0.053 0.000 3.452 410 G HA2 0.190 4.150 3.960 -0.000 0.000 0.258 410 G HA3 0.190 4.150 3.960 -0.000 0.000 0.258 410 G C 0.677 175.505 174.900 -0.119 0.000 1.305 410 G CA 0.222 45.269 45.100 -0.088 0.000 1.514 410 G HN 0.295 nan 8.290 nan 0.000 0.593 411 D N 0.215 120.560 120.400 -0.093 0.000 2.144 411 D HA -0.164 4.476 4.640 -0.000 0.000 0.199 411 D C 2.776 179.030 176.300 -0.076 0.000 0.984 411 D CA 1.505 55.452 54.000 -0.088 0.000 0.834 411 D CB -0.299 40.455 40.800 -0.077 0.000 0.955 411 D HN 0.504 nan 8.370 nan 0.000 0.465 412 c N 0.364 118.933 118.600 -0.052 0.000 2.411 412 c HA -0.092 4.478 4.570 -0.000 0.000 0.279 412 c C 2.623 176.692 174.090 -0.035 0.000 1.288 412 c CA -0.177 56.151 56.329 -0.001 0.000 1.764 412 c CB -1.513 41.030 42.510 0.054 0.000 1.974 412 c HN 0.241 nan 8.230 nan 0.000 0.498 413 I N 2.301 122.746 120.570 -0.209 0.000 2.069 413 I HA -0.096 4.074 4.170 -0.000 0.000 0.237 413 I C 3.104 179.092 176.117 -0.215 0.000 1.053 413 I CA 2.069 63.062 61.300 -0.511 0.000 1.311 413 I CB -1.407 36.238 38.000 -0.591 0.000 1.030 413 I HN 0.493 nan 8.210 nan 0.000 0.398 414 G N 1.989 110.701 108.800 -0.147 0.000 2.545 414 G HA2 -0.313 3.647 3.960 -0.000 0.000 0.217 414 G HA3 -0.313 3.647 3.960 -0.000 0.000 0.217 414 G C 1.616 176.561 174.900 0.075 0.000 1.218 414 G CA 1.462 46.557 45.100 -0.010 0.000 0.787 414 G HN 0.522 nan 8.290 nan 0.000 0.571 415 K N 0.186 120.614 120.400 0.047 0.000 2.032 415 K HA -0.091 4.229 4.320 -0.000 0.000 0.209 415 K C 1.894 178.566 176.600 0.120 0.000 1.048 415 K CA 1.625 57.954 56.287 0.071 0.000 0.927 415 K CB -0.438 32.091 32.500 0.048 0.000 0.712 415 K HN 0.137 nan 8.250 nan 0.000 0.441 416 D N 1.634 122.136 120.400 0.171 0.000 2.097 416 D HA -0.129 4.511 4.640 -0.000 0.000 0.195 416 D C 2.143 178.621 176.300 0.297 0.000 0.989 416 D CA 1.709 55.863 54.000 0.257 0.000 0.827 416 D CB -0.401 40.649 40.800 0.416 0.000 0.966 416 D HN 0.376 nan 8.370 nan 0.000 0.456 417 A N 1.502 124.562 122.820 0.400 0.000 1.849 417 A HA -0.256 4.064 4.320 -0.000 0.000 0.217 417 A C 2.214 179.901 177.584 0.172 0.000 1.202 417 A CA 1.878 54.126 52.037 0.351 0.000 0.629 417 A CB -0.678 18.555 19.000 0.387 0.000 0.834 417 A HN 0.129 nan 8.150 nan 0.000 0.447 418 R N -0.420 120.164 120.500 0.141 0.000 2.122 418 R HA -0.200 4.139 4.340 -0.000 0.000 0.236 418 R C 1.887 178.229 176.300 0.070 0.000 1.129 418 R CA 1.872 58.020 56.100 0.079 0.000 0.925 418 R CB -0.779 29.563 30.300 0.070 0.000 0.850 418 R HN 0.530 nan 8.270 nan 0.000 0.431 419 D N 0.098 120.547 120.400 0.081 0.000 2.170 419 D HA -0.223 4.417 4.640 -0.000 0.000 0.193 419 D C 1.712 178.051 176.300 0.065 0.000 1.004 419 D CA 1.844 55.886 54.000 0.069 0.000 0.860 419 D CB -0.290 40.554 40.800 0.073 0.000 0.931 419 D HN 0.390 nan 8.370 nan 0.000 0.448 420 A N 0.100 122.963 122.820 0.071 0.000 1.874 420 A HA -0.068 4.252 4.320 -0.000 0.000 0.214 420 A C 2.240 179.859 177.584 0.059 0.000 1.189 420 A CA 1.145 53.215 52.037 0.054 0.000 0.615 420 A CB -0.508 18.516 19.000 0.039 0.000 0.830 420 A HN 0.124 nan 8.150 nan 0.000 0.443 421 M N -0.125 119.507 119.600 0.054 0.000 2.149 421 M HA -0.163 4.317 4.480 -0.000 0.000 0.261 421 M C 1.321 177.672 176.300 0.086 0.000 1.064 421 M CA 1.584 56.913 55.300 0.047 0.000 1.102 421 M CB -0.549 32.046 32.600 -0.008 0.000 1.369 421 M HN 0.329 nan 8.290 nan 0.000 0.408 422 D N -0.210 120.230 120.400 0.068 0.000 2.123 422 D HA -0.123 4.517 4.640 -0.000 0.000 0.200 422 D C 1.933 178.318 176.300 0.141 0.000 0.976 422 D CA 1.051 55.105 54.000 0.090 0.000 0.831 422 D CB -0.436 40.395 40.800 0.051 0.000 0.974 422 D HN 0.352 nan 8.370 nan 0.000 0.469 423 R N 0.767 121.327 120.500 0.100 0.000 2.081 423 R HA -0.079 4.261 4.340 -0.000 0.000 0.235 423 R C 2.320 178.677 176.300 0.095 0.000 1.131 423 R CA 0.979 57.130 56.100 0.084 0.000 0.960 423 R CB -0.275 30.058 30.300 0.055 0.000 0.856 423 R HN 0.142 nan 8.270 nan 0.000 0.436 424 I N 0.186 120.824 120.570 0.113 0.000 2.252 424 I HA -0.242 3.928 4.170 -0.000 0.000 0.245 424 I C 2.186 178.413 176.117 0.183 0.000 1.102 424 I CA 0.991 62.363 61.300 0.118 0.000 1.385 424 I CB -0.406 37.673 38.000 0.133 0.000 1.064 424 I HN 0.173 nan 8.210 nan 0.000 0.414 425 F N 2.169 122.189 119.950 0.118 0.000 2.043 425 F HA -0.327 4.200 4.527 -0.000 0.000 0.297 425 F C 2.568 178.434 175.800 0.110 0.000 1.121 425 F CA 1.787 59.892 58.000 0.175 0.000 1.199 425 F CB -0.486 38.575 39.000 0.102 0.000 0.968 425 F HN 0.024 nan 8.300 nan 0.000 0.478 426 A N 0.252 123.161 122.820 0.149 0.000 1.948 426 A HA -0.281 4.039 4.320 -0.000 0.000 0.220 426 A C 2.366 179.899 177.584 -0.084 0.000 1.177 426 A CA 2.018 54.066 52.037 0.018 0.000 0.636 426 A CB -0.949 18.105 19.000 0.090 0.000 0.815 426 A HN 0.548 nan 8.150 nan 0.000 0.449 427 R N -1.468 118.992 120.500 -0.067 0.000 2.148 427 R HA 0.012 4.352 4.340 -0.000 0.000 0.223 427 R C 2.177 178.366 176.300 -0.186 0.000 1.088 427 R CA 1.570 57.610 56.100 -0.099 0.000 0.985 427 R CB -0.077 30.183 30.300 -0.068 0.000 0.880 427 R HN 0.523 nan 8.270 nan 0.000 0.451 428 R N -2.148 118.176 120.500 -0.293 0.000 2.551 428 R HA 0.090 4.430 4.340 -0.000 0.000 0.202 428 R C 0.738 176.674 176.300 -0.608 0.000 0.861 428 R CA 0.056 55.858 56.100 -0.495 0.000 1.018 428 R CB 0.362 30.232 30.300 -0.717 0.000 1.435 428 R HN 0.174 nan 8.270 nan 0.000 0.659 429 Y N -0.209 119.849 120.300 -0.403 0.000 2.498 429 Y HA 0.184 4.734 4.550 -0.000 0.000 0.259 429 Y C 1.751 177.165 175.900 -0.811 0.000 1.086 429 Y CA -0.056 57.753 58.100 -0.484 0.000 1.287 429 Y CB 0.174 38.389 38.460 -0.408 0.000 1.146 429 Y HN 0.093 nan 8.280 nan 0.000 0.523 430 N N 1.580 119.663 118.700 -1.028 0.000 2.037 430 N HA -0.244 4.496 4.740 -0.000 0.000 0.196 430 N C 1.856 177.256 175.510 -0.183 0.000 1.034 430 N CA 2.099 54.717 53.050 -0.720 0.000 0.861 430 N CB -0.301 38.003 38.487 -0.305 0.000 1.039 430 N HN 0.369 nan 8.380 nan 0.000 0.427 431 A N -0.893 121.846 122.820 -0.136 0.000 1.874 431 A HA -0.059 4.261 4.320 -0.000 0.000 0.214 431 A C 2.349 179.920 177.584 -0.021 0.000 1.189 431 A CA 2.278 54.286 52.037 -0.049 0.000 0.615 431 A CB -1.207 17.761 19.000 -0.053 0.000 0.830 431 A HN 0.598 nan 8.150 nan 0.000 0.443 432 T N -2.319 112.233 114.554 -0.004 0.000 2.770 432 T HA 0.079 4.429 4.350 -0.000 0.000 0.258 432 T C 0.960 175.609 174.700 -0.085 0.000 1.039 432 T CA 1.209 63.302 62.100 -0.011 0.000 1.143 432 T CB -0.404 68.525 68.868 0.102 0.000 0.866 432 T HN 0.520 nan 8.240 nan 0.000 0.428 433 H N 0.878 120.010 119.070 0.103 0.000 2.771 433 H HA 0.751 5.307 4.556 -0.000 0.000 0.344 433 H C -0.520 174.972 175.328 0.273 0.000 1.260 433 H CA -1.293 54.859 56.048 0.175 0.000 1.276 433 H CB 1.104 30.997 29.762 0.219 0.000 1.881 433 H HN 0.464 nan 8.280 nan 0.000 0.615 434 I N -2.743 118.075 120.570 0.413 0.000 2.802 434 I HA 0.439 4.609 4.170 -0.000 0.000 0.298 434 I C -0.976 175.236 176.117 0.160 0.000 1.176 434 I CA -1.123 60.396 61.300 0.364 0.000 1.025 434 I CB 1.890 40.007 38.000 0.194 0.000 1.243 434 I HN 0.272 nan 8.210 nan 0.000 0.424 435 K N 2.954 123.307 120.400 -0.078 0.000 2.414 435 K HA 0.472 4.792 4.320 -0.000 0.000 0.272 435 K C -0.850 175.695 176.600 -0.091 0.000 0.993 435 K CA -0.460 55.711 56.287 -0.194 0.000 0.964 435 K CB 1.046 33.314 32.500 -0.386 0.000 0.925 435 K HN 0.498 nan 8.250 nan 0.000 0.487 436 V N 2.848 122.712 119.914 -0.082 0.000 2.276 436 V HA 0.336 4.456 4.120 -0.000 0.000 0.268 436 V C 0.457 176.531 176.094 -0.034 0.000 1.032 436 V CA -0.008 62.271 62.300 -0.036 0.000 0.810 436 V CB -0.029 31.789 31.823 -0.008 0.000 1.060 436 V HN 1.129 nan 8.190 nan 0.000 0.446 437 G N 4.681 113.459 108.800 -0.035 0.000 2.681 437 G HA2 -0.176 3.784 3.960 -0.000 0.000 0.220 437 G HA3 -0.176 3.784 3.960 -0.000 0.000 0.220 437 G C -0.500 174.377 174.900 -0.038 0.000 1.353 437 G CA -0.448 44.640 45.100 -0.021 0.000 0.872 437 G HN 0.596 nan 8.290 nan 0.000 0.557 438 Q N 0.747 120.538 119.800 -0.014 0.000 2.260 438 Q HA 0.520 4.860 4.340 -0.000 0.000 0.238 438 Q C -2.073 173.918 176.000 -0.015 0.000 0.948 438 Q CA -1.376 54.419 55.803 -0.014 0.000 0.895 438 Q CB 0.629 29.374 28.738 0.012 0.000 1.218 438 Q HN 0.463 nan 8.270 nan 0.000 0.470 439 P HA -0.106 nan 4.420 nan 0.000 0.267 439 P C -1.212 176.054 177.300 -0.057 0.000 1.201 439 P CA 0.437 63.489 63.100 -0.080 0.000 0.775 439 P CB 0.454 32.110 31.700 -0.073 0.000 0.854 440 Q N 0.554 120.264 119.800 -0.149 0.000 2.397 440 Q HA 0.566 4.906 4.340 -0.000 0.000 0.275 440 Q C -1.335 174.480 176.000 -0.309 0.000 1.090 440 Q CA -0.554 55.201 55.803 -0.081 0.000 0.809 440 Q CB 1.961 30.793 28.738 0.156 0.000 1.362 440 Q HN 0.379 nan 8.270 nan 0.000 0.431 441 Y N 0.564 120.739 120.300 -0.209 0.000 2.391 441 Y HA 0.533 5.083 4.550 -0.000 0.000 0.341 441 Y C -1.175 174.536 175.900 -0.314 0.000 0.965 441 Y CA -0.717 57.315 58.100 -0.114 0.000 1.067 441 Y CB 1.403 39.850 38.460 -0.022 0.000 1.199 441 Y HN 0.503 nan 8.280 nan 0.000 0.450 442 Y N 2.328 122.748 120.300 0.200 0.000 2.545 442 Y HA 0.607 5.157 4.550 -0.000 0.000 0.348 442 Y C -1.084 174.867 175.900 0.084 0.000 1.002 442 Y CA -1.263 56.942 58.100 0.176 0.000 1.039 442 Y CB 1.860 40.403 38.460 0.138 0.000 1.271 442 Y HN 0.481 nan 8.280 nan 0.000 0.467 443 L N 2.454 123.829 121.223 0.253 0.000 2.296 443 L HA 0.918 5.258 4.340 -0.000 0.000 0.286 443 L C -0.407 176.572 176.870 0.182 0.000 1.023 443 L CA -0.313 54.580 54.840 0.088 0.000 0.812 443 L CB 0.704 42.706 42.059 -0.095 0.000 1.223 443 L HN 0.764 nan 8.230 nan 0.000 0.421 444 A N 3.776 126.715 122.820 0.199 0.000 2.269 444 A HA 0.640 4.960 4.320 -0.000 0.000 0.327 444 A C -0.390 177.384 177.584 0.316 0.000 1.112 444 A CA -0.797 51.420 52.037 0.300 0.000 0.865 444 A CB 0.406 19.646 19.000 0.400 0.000 1.227 444 A HN 0.756 nan 8.150 nan 0.000 0.498 445 N N -0.161 118.748 118.700 0.349 0.000 2.492 445 N HA 0.429 5.169 4.740 -0.000 0.000 0.262 445 N C 0.910 176.700 175.510 0.467 0.000 1.202 445 N CA 1.532 54.761 53.050 0.299 0.000 0.926 445 N CB 0.991 39.617 38.487 0.231 0.000 1.078 445 N HN 1.260 nan 8.380 nan 0.000 0.454 446 G N 0.242 109.203 108.800 0.268 0.000 2.201 446 G HA2 -0.065 3.895 3.960 -0.000 0.000 0.212 446 G HA3 -0.065 3.895 3.960 -0.000 0.000 0.212 446 G C 0.608 175.532 174.900 0.040 0.000 0.994 446 G CA 0.155 45.454 45.100 0.332 0.000 0.644 446 G HN 1.298 nan 8.290 nan 0.000 0.508 447 G N -0.951 107.863 108.800 0.023 0.000 2.149 447 G HA2 -0.116 3.844 3.960 -0.000 0.000 0.235 447 G HA3 -0.116 3.844 3.960 -0.000 0.000 0.235 447 G C 0.066 174.798 174.900 -0.280 0.000 1.018 447 G CA 0.310 45.313 45.100 -0.161 0.000 0.728 447 G HN 1.203 nan 8.290 nan 0.000 0.508 448 F N -0.560 119.440 119.950 0.083 0.000 2.415 448 F HA 0.647 5.174 4.527 -0.000 0.000 0.348 448 F C 0.460 176.263 175.800 0.005 0.000 1.119 448 F CA -1.200 56.840 58.000 0.068 0.000 1.069 448 F CB 1.653 40.744 39.000 0.152 0.000 1.124 448 F HN 0.104 nan 8.300 nan 0.000 0.472 449 L N 5.717 127.043 121.223 0.172 0.000 2.275 449 L HA 0.554 4.894 4.340 -0.000 0.000 0.288 449 L C -0.769 176.201 176.870 0.167 0.000 1.046 449 L CA -0.315 54.588 54.840 0.105 0.000 0.805 449 L CB 0.498 42.587 42.059 0.049 0.000 1.193 449 L HN 0.442 nan 8.230 nan 0.000 0.426 450 I N 5.804 126.424 120.570 0.083 0.000 2.354 450 I HA 0.471 4.641 4.170 -0.000 0.000 0.286 450 I C 0.117 176.281 176.117 0.077 0.000 1.007 450 I CA -0.672 60.611 61.300 -0.028 0.000 1.167 450 I CB 1.533 39.304 38.000 -0.382 0.000 1.320 450 I HN 0.786 nan 8.210 nan 0.000 0.458 451 A N 6.914 129.790 122.820 0.093 0.000 2.320 451 A HA 0.513 4.833 4.320 -0.000 0.000 0.287 451 A C -1.224 176.333 177.584 -0.046 0.000 1.181 451 A CA 0.014 51.945 52.037 -0.177 0.000 0.831 451 A CB 0.250 19.196 19.000 -0.090 0.000 1.102 451 A HN 0.651 nan 8.150 nan 0.000 0.513 452 Y N 0.911 121.096 120.300 -0.192 0.000 2.524 452 Y HA 0.588 5.138 4.550 -0.000 0.000 0.347 452 Y C -0.508 175.375 175.900 -0.029 0.000 1.005 452 Y CA -0.585 57.494 58.100 -0.035 0.000 1.025 452 Y CB 1.976 40.507 38.460 0.118 0.000 1.275 452 Y HN 0.718 nan 8.280 nan 0.000 0.460 453 Q N 6.933 126.265 119.800 -0.780 0.000 2.280 453 Q HA 0.450 4.790 4.340 -0.000 0.000 0.259 453 Q C -2.969 172.571 176.000 -0.767 0.000 0.964 453 Q CA -2.240 53.222 55.803 -0.567 0.000 0.844 453 Q CB 2.571 31.117 28.738 -0.321 0.000 1.334 453 Q HN 0.382 nan 8.270 nan 0.000 0.423 454 P HA 0.101 nan 4.420 nan 0.000 0.269 454 P C -1.101 176.061 177.300 -0.231 0.000 1.217 454 P CA 0.171 63.105 63.100 -0.277 0.000 0.783 454 P CB 0.532 32.205 31.700 -0.045 0.000 0.898 455 L N 1.438 122.567 121.223 -0.156 0.000 2.409 455 L HA 0.466 4.806 4.340 -0.000 0.000 0.272 455 L C -0.732 176.204 176.870 0.109 0.000 0.980 455 L CA -0.872 53.902 54.840 -0.110 0.000 0.826 455 L CB 1.763 43.564 42.059 -0.430 0.000 1.268 455 L HN 0.179 nan 8.230 nan 0.000 0.407 456 L N 1.736 123.066 121.223 0.178 0.000 2.296 456 L HA 0.382 4.722 4.340 -0.000 0.000 0.286 456 L C 1.068 178.025 176.870 0.145 0.000 1.023 456 L CA 0.474 55.411 54.840 0.163 0.000 0.812 456 L CB 1.876 43.989 42.059 0.089 0.000 1.223 456 L HN 0.645 nan 8.230 nan 0.000 0.421 457 S N 3.507 119.217 115.700 0.017 0.000 2.547 457 S HA -0.043 4.427 4.470 -0.000 0.000 0.235 457 S C 1.083 175.559 174.600 -0.206 0.000 0.980 457 S CA 1.271 59.265 58.200 -0.343 0.000 0.941 457 S CB -0.509 62.564 63.200 -0.212 0.000 0.763 457 S HN 0.918 nan 8.310 nan 0.000 0.532 458 N N -0.315 118.348 118.700 -0.062 0.000 2.292 458 N HA -0.177 4.563 4.740 -0.000 0.000 0.219 458 N C 1.039 176.533 175.510 -0.027 0.000 1.011 458 N CA 2.491 55.526 53.050 -0.026 0.000 2.776 458 N CB -2.165 36.306 38.487 -0.026 0.000 0.819 458 N HN 0.410 nan 8.380 nan 0.000 0.457 459 T N -0.091 114.434 114.554 -0.050 0.000 2.822 459 T HA 0.089 4.439 4.350 -0.000 0.000 0.270 459 T C 1.297 175.989 174.700 -0.012 0.000 1.064 459 T CA 1.970 64.052 62.100 -0.031 0.000 1.131 459 T CB -0.323 68.522 68.868 -0.038 0.000 0.858 459 T HN 0.649 nan 8.240 nan 0.000 0.483 460 L N 0.033 121.252 121.223 -0.007 0.000 2.625 460 L HA 0.936 5.276 4.340 -0.000 0.000 0.255 460 L C 1.262 178.140 176.870 0.013 0.000 1.493 460 L CA -0.168 54.676 54.840 0.006 0.000 0.796 460 L CB -0.567 41.499 42.059 0.011 0.000 1.064 460 L HN 0.278 nan 8.230 nan 0.000 0.516 461 A N -1.037 121.791 122.820 0.013 0.000 2.238 461 A HA 0.400 4.720 4.320 -0.000 0.000 0.208 461 A C 1.970 179.567 177.584 0.021 0.000 1.177 461 A CA 1.380 53.429 52.037 0.020 0.000 0.804 461 A CB -0.334 18.678 19.000 0.021 0.000 0.823 461 A HN 1.477 nan 8.150 nan 0.000 0.482 462 E N -0.827 119.383 120.200 0.018 0.000 2.118 462 E HA -0.057 4.293 4.350 -0.000 0.000 0.195 462 E C 1.913 178.525 176.600 0.020 0.000 0.992 462 E CA 1.892 58.303 56.400 0.017 0.000 0.804 462 E CB -1.416 28.293 29.700 0.015 0.000 0.741 462 E HN 1.304 nan 8.360 nan 0.000 0.458 463 L N -0.645 120.592 121.223 0.024 0.000 2.610 463 L HA 0.417 4.757 4.340 -0.000 0.000 0.232 463 L C 2.747 179.635 176.870 0.030 0.000 1.149 463 L CA 1.666 56.522 54.840 0.027 0.000 0.872 463 L CB -2.491 39.586 42.059 0.030 0.000 0.992 463 L HN 0.851 nan 8.230 nan 0.000 0.447 464 Y N -1.260 119.057 120.300 0.028 0.000 2.193 464 Y HA -0.137 4.413 4.550 -0.000 0.000 0.285 464 Y C 2.628 178.544 175.900 0.027 0.000 1.166 464 Y CA 2.485 60.602 58.100 0.028 0.000 1.181 464 Y CB -0.884 37.591 38.460 0.026 0.000 0.976 464 Y HN 0.340 nan 8.280 nan 0.000 0.520 465 V N 0.195 120.123 119.914 0.025 0.000 2.273 465 V HA -0.151 3.969 4.120 -0.000 0.000 0.242 465 V C 2.933 179.044 176.094 0.028 0.000 1.035 465 V CA 2.390 64.704 62.300 0.024 0.000 1.013 465 V CB -1.486 30.349 31.823 0.021 0.000 0.652 465 V HN 0.729 nan 8.190 nan 0.000 0.452 466 R N 0.323 120.841 120.500 0.029 0.000 2.127 466 R HA -0.180 4.160 4.340 -0.000 0.000 0.238 466 R C 2.210 178.535 176.300 0.041 0.000 1.134 466 R CA 2.439 58.559 56.100 0.032 0.000 0.975 466 R CB -1.663 28.655 30.300 0.030 0.000 0.865 466 R HN 0.752 nan 8.270 nan 0.000 0.447 467 E N -0.639 119.587 120.200 0.043 0.000 2.031 467 E HA -0.201 4.149 4.350 -0.000 0.000 0.193 467 E C 2.363 178.998 176.600 0.059 0.000 0.994 467 E CA 2.371 58.803 56.400 0.053 0.000 0.800 467 E CB -1.677 28.053 29.700 0.049 0.000 0.752 467 E HN 1.047 nan 8.360 nan 0.000 0.447 468 H N 0.577 119.675 119.070 0.047 0.000 2.265 468 H HA -0.058 4.498 4.556 -0.000 0.000 0.293 468 H C 2.576 177.937 175.328 0.056 0.000 1.089 468 H CA 2.002 58.078 56.048 0.047 0.000 1.244 468 H CB -0.893 28.889 29.762 0.033 0.000 1.355 468 H HN 0.376 nan 8.280 nan 0.000 0.485 469 L N 0.060 121.313 121.223 0.049 0.000 1.990 469 L HA -0.264 4.076 4.340 -0.000 0.000 0.213 469 L C 3.482 180.392 176.870 0.067 0.000 1.072 469 L CA 2.327 57.197 54.840 0.050 0.000 0.755 469 L CB -0.973 41.111 42.059 0.041 0.000 0.889 469 L HN 0.743 nan 8.230 nan 0.000 0.432 470 R N 0.220 120.764 120.500 0.074 0.000 2.105 470 R HA -0.158 4.182 4.340 -0.000 0.000 0.239 470 R C 1.763 178.143 176.300 0.134 0.000 1.135 470 R CA 1.685 57.843 56.100 0.097 0.000 0.967 470 R CB -1.167 29.191 30.300 0.097 0.000 0.861 470 R HN 0.397 nan 8.270 nan 0.000 0.442 471 E N 0.423 120.702 120.200 0.131 0.000 2.403 471 E HA 0.019 4.369 4.350 -0.000 0.000 0.187 471 E C 0.601 177.284 176.600 0.139 0.000 1.073 471 E CA 0.289 56.789 56.400 0.166 0.000 0.888 471 E CB 0.636 30.425 29.700 0.148 0.000 1.035 471 E HN 0.774 nan 8.360 nan 0.000 0.471 472 Q N -0.902 118.965 119.800 0.111 0.000 2.164 472 Q HA 0.067 4.407 4.340 -0.000 0.000 0.226 472 Q C 1.429 177.478 176.000 0.082 0.000 0.813 472 Q CA 0.117 55.971 55.803 0.085 0.000 0.978 472 Q CB 0.730 29.505 28.738 0.061 0.000 1.149 472 Q HN 0.132 nan 8.270 nan 0.000 0.489 473 S N -0.329 115.431 115.700 0.099 0.000 2.603 473 S HA -0.011 4.459 4.470 -0.000 0.000 0.229 473 S C 1.726 176.384 174.600 0.096 0.000 0.972 473 S CA 0.670 58.921 58.200 0.085 0.000 0.935 473 S CB -0.163 63.088 63.200 0.084 0.000 0.769 473 S HN 0.375 nan 8.310 nan 0.000 0.536 474 R N 0.524 121.099 120.500 0.124 0.000 2.437 474 R HA 0.535 4.875 4.340 -0.000 0.000 0.257 474 R C 0.807 177.148 176.300 0.068 0.000 0.927 474 R CA 0.539 56.715 56.100 0.127 0.000 1.078 474 R CB -1.522 28.913 30.300 0.226 0.000 1.161 474 R HN 0.688 nan 8.270 nan 0.000 0.529 475 K N 2.553 122.986 120.400 0.056 0.000 2.436 475 K HA 0.353 4.673 4.320 -0.000 0.000 0.282 475 K C -2.311 174.295 176.600 0.010 0.000 1.044 475 K CA -1.266 55.038 56.287 0.030 0.000 1.028 475 K CB -0.627 31.891 32.500 0.030 0.000 0.919 475 K HN 0.346 nan 8.250 nan 0.000 0.474 476 P HA 0.173 nan 4.420 nan 0.000 0.266 476 P C -1.938 175.345 177.300 -0.029 0.000 1.215 476 P CA -0.727 62.353 63.100 -0.034 0.000 0.763 476 P CB 0.036 31.698 31.700 -0.063 0.000 0.806 493 E N 0.868 121.089 120.200 0.034 0.000 2.435 493 E HA 0.710 5.060 4.350 -0.000 0.000 0.277 493 E C -1.305 175.291 176.600 -0.006 0.000 1.106 493 E CA -1.254 55.160 56.400 0.024 0.000 0.868 493 E CB 2.224 31.941 29.700 0.029 0.000 1.454 493 E HN 1.040 nan 8.360 nan 0.000 0.452 494 R N 0.669 121.144 120.500 -0.043 0.000 2.740 494 R HA 0.591 4.931 4.340 -0.000 0.000 0.273 494 R C -1.404 174.844 176.300 -0.088 0.000 0.998 494 R CA -0.707 55.329 56.100 -0.108 0.000 0.900 494 R CB 1.713 31.872 30.300 -0.236 0.000 1.223 494 R HN 0.626 nan 8.270 nan 0.000 0.466 495 I N 3.356 123.862 120.570 -0.107 0.000 2.359 495 I HA 0.312 4.482 4.170 -0.000 0.000 0.294 495 I C 0.018 176.056 176.117 -0.131 0.000 0.987 495 I CA -0.707 60.527 61.300 -0.111 0.000 1.225 495 I CB 1.840 39.758 38.000 -0.136 0.000 1.366 495 I HN 0.470 nan 8.210 nan 0.000 0.466 496 K N 3.803 124.129 120.400 -0.123 0.000 2.087 496 K HA 0.583 4.903 4.320 -0.000 0.000 0.255 496 K C -0.697 175.789 176.600 -0.190 0.000 0.988 496 K CA -0.470 55.735 56.287 -0.136 0.000 0.915 496 K CB 1.593 34.031 32.500 -0.104 0.000 1.043 496 K HN 0.496 nan 8.250 nan 0.000 0.457 497 T N 0.368 114.785 114.554 -0.228 0.000 2.916 497 T HA 0.097 4.447 4.350 -0.000 0.000 0.298 497 T C -0.569 173.972 174.700 -0.265 0.000 1.031 497 T CA -0.633 61.247 62.100 -0.367 0.000 0.993 497 T CB 1.807 70.342 68.868 -0.555 0.000 1.045 497 T HN 0.548 nan 8.240 nan 0.000 0.454 498 T N 1.201 115.628 114.554 -0.212 0.000 2.930 498 T HA 0.129 4.479 4.350 -0.000 0.000 0.306 498 T C 1.373 176.070 174.700 -0.005 0.000 1.045 498 T CA -0.212 61.865 62.100 -0.038 0.000 1.134 498 T CB 0.275 69.214 68.868 0.120 0.000 0.961 498 T HN 0.516 nan 8.240 nan 0.000 0.545 499 S N 2.852 118.557 115.700 0.009 0.000 2.453 499 S HA 0.062 4.532 4.470 -0.000 0.000 0.231 499 S C 0.930 175.578 174.600 0.079 0.000 1.005 499 S CA 0.174 58.381 58.200 0.012 0.000 0.949 499 S CB 0.065 63.266 63.200 0.001 0.000 0.774 499 S HN 0.689 nan 8.310 nan 0.000 0.510 500 S N 0.647 116.441 115.700 0.156 0.000 2.449 500 S HA 0.500 4.970 4.470 -0.000 0.000 0.310 500 S C -0.152 174.642 174.600 0.323 0.000 1.096 500 S CA -0.674 57.646 58.200 0.200 0.000 1.095 500 S CB 0.862 64.169 63.200 0.179 0.000 1.007 500 S HN 0.164 nan 8.310 nan 0.000 0.474 501 I N 4.592 125.260 120.570 0.163 0.000 3.884 501 I HA 0.379 4.549 4.170 -0.000 0.000 0.330 501 I C 1.093 177.090 176.117 -0.201 0.000 1.451 501 I CA 0.184 61.457 61.300 -0.045 0.000 1.165 501 I CB -0.117 37.884 38.000 0.002 0.000 1.097 501 I HN 0.632 nan 8.210 nan 0.000 0.404 502 E N 0.215 120.398 120.200 -0.029 0.000 2.299 502 E HA -0.104 4.246 4.350 -0.000 0.000 0.193 502 E C 1.866 178.433 176.600 -0.056 0.000 0.998 502 E CA 0.807 57.181 56.400 -0.044 0.000 0.851 502 E CB -0.399 29.321 29.700 0.034 0.000 0.795 502 E HN 0.685 nan 8.360 nan 0.000 0.492 503 F N 0.367 120.303 119.950 -0.023 0.000 2.325 503 F HA 0.186 4.713 4.527 -0.000 0.000 0.299 503 F C 2.117 177.883 175.800 -0.056 0.000 1.090 503 F CA 0.752 58.736 58.000 -0.026 0.000 1.392 503 F CB -0.459 38.541 39.000 -0.001 0.000 1.053 503 F HN -0.060 nan 8.300 nan 0.000 0.521 504 A N 1.436 123.648 122.820 -1.013 0.000 1.874 504 A HA 0.018 4.338 4.320 -0.000 0.000 0.214 504 A C 2.341 179.655 177.584 -0.451 0.000 1.189 504 A CA 0.785 52.322 52.037 -0.833 0.000 0.615 504 A CB -0.641 17.582 19.000 -1.295 0.000 0.830 504 A HN 0.385 nan 8.150 nan 0.000 0.443 505 R N -0.978 119.282 120.500 -0.401 0.000 2.152 505 R HA -0.074 4.266 4.340 -0.000 0.000 0.232 505 R C 1.879 178.143 176.300 -0.059 0.000 1.117 505 R CA 1.073 57.028 56.100 -0.241 0.000 0.981 505 R CB -0.445 29.713 30.300 -0.237 0.000 0.870 505 R HN 0.427 nan 8.270 nan 0.000 0.451 506 L N 1.011 122.196 121.223 -0.062 0.000 2.005 506 L HA -0.166 4.174 4.340 -0.000 0.000 0.207 506 L C 2.448 179.364 176.870 0.078 0.000 1.072 506 L CA 1.790 56.641 54.840 0.019 0.000 0.744 506 L CB -0.609 41.464 42.059 0.023 0.000 0.895 506 L HN 0.011 nan 8.230 nan 0.000 0.433 507 Q N -0.811 119.021 119.800 0.053 0.000 2.014 507 Q HA -0.302 4.038 4.340 -0.000 0.000 0.207 507 Q C 2.210 178.300 176.000 0.148 0.000 0.993 507 Q CA 2.439 58.297 55.803 0.093 0.000 0.850 507 Q CB -0.838 27.939 28.738 0.065 0.000 0.916 507 Q HN 0.464 nan 8.270 nan 0.000 0.417 508 F N 0.323 120.247 119.950 -0.042 0.000 2.045 508 F HA -0.364 4.163 4.527 -0.000 0.000 0.297 508 F C 1.976 177.776 175.800 -0.000 0.000 1.114 508 F CA 2.513 60.494 58.000 -0.032 0.000 1.207 508 F CB -0.882 38.013 39.000 -0.176 0.000 0.964 508 F HN 0.134 nan 8.300 nan 0.000 0.486 509 T N -0.219 114.468 114.554 0.222 0.000 2.595 509 T HA -0.306 4.044 4.350 -0.000 0.000 0.264 509 T C 1.465 176.202 174.700 0.061 0.000 1.058 509 T CA 1.845 64.006 62.100 0.102 0.000 1.166 509 T CB -1.133 67.810 68.868 0.126 0.000 0.863 509 T HN 0.529 nan 8.240 nan 0.000 0.415 510 Y N 2.551 122.852 120.300 0.002 0.000 2.002 510 Y HA -0.342 4.208 4.550 -0.000 0.000 0.268 510 Y C 2.162 178.054 175.900 -0.014 0.000 1.177 510 Y CA 2.110 60.209 58.100 -0.001 0.000 1.111 510 Y CB -0.863 37.600 38.460 0.006 0.000 0.952 510 Y HN 0.336 nan 8.280 nan 0.000 0.491 511 N N -1.105 117.697 118.700 0.170 0.000 2.011 511 N HA -0.297 4.443 4.740 -0.000 0.000 0.199 511 N C 1.776 177.218 175.510 -0.112 0.000 1.047 511 N CA 1.583 54.645 53.050 0.019 0.000 0.863 511 N CB -0.663 37.836 38.487 0.019 0.000 1.056 511 N HN 0.483 nan 8.380 nan 0.000 0.427 512 H N 0.419 119.324 119.070 -0.275 0.000 2.362 512 H HA -0.163 4.393 4.556 -0.000 0.000 0.294 512 H C 2.179 177.399 175.328 -0.179 0.000 1.113 512 H CA 1.524 57.398 56.048 -0.290 0.000 1.253 512 H CB -0.170 29.328 29.762 -0.439 0.000 1.363 512 H HN 0.284 nan 8.280 nan 0.000 0.494 513 I N 0.405 120.935 120.570 -0.067 0.000 2.193 513 I HA -0.260 3.910 4.170 -0.000 0.000 0.240 513 I C 2.879 178.916 176.117 -0.133 0.000 1.084 513 I CA 0.941 62.189 61.300 -0.087 0.000 1.365 513 I CB -0.448 37.473 38.000 -0.131 0.000 1.064 513 I HN 0.268 nan 8.210 nan 0.000 0.410 514 Q N 1.323 120.941 119.800 -0.302 0.000 2.029 514 Q HA -0.282 4.058 4.340 -0.000 0.000 0.209 514 Q C 2.464 178.373 176.000 -0.152 0.000 0.999 514 Q CA 1.977 57.604 55.803 -0.292 0.000 0.857 514 Q CB -0.062 28.448 28.738 -0.381 0.000 0.926 514 Q HN 0.334 nan 8.270 nan 0.000 0.415 515 R N -0.300 120.117 120.500 -0.138 0.000 2.122 515 R HA -0.223 4.117 4.340 -0.000 0.000 0.236 515 R C 2.255 178.516 176.300 -0.064 0.000 1.129 515 R CA 2.178 58.213 56.100 -0.110 0.000 0.925 515 R CB -1.634 28.578 30.300 -0.148 0.000 0.850 515 R HN 0.591 nan 8.270 nan 0.000 0.431 516 H N 0.894 119.889 119.070 -0.125 0.000 2.265 516 H HA -0.110 4.446 4.556 -0.000 0.000 0.295 516 H C 2.100 177.382 175.328 -0.076 0.000 1.084 516 H CA 2.421 58.416 56.048 -0.089 0.000 1.261 516 H CB -0.368 29.347 29.762 -0.078 0.000 1.360 516 H HN -0.042 nan 8.280 nan 0.000 0.487 517 V N 0.992 120.850 119.914 -0.093 0.000 2.215 517 V HA -0.398 3.722 4.120 -0.000 0.000 0.249 517 V C 2.250 178.249 176.094 -0.159 0.000 1.054 517 V CA 2.365 64.581 62.300 -0.139 0.000 1.012 517 V CB -0.733 31.043 31.823 -0.078 0.000 0.639 517 V HN 0.577 nan 8.190 nan 0.000 0.448 518 N N 0.491 119.121 118.700 -0.116 0.000 2.021 518 N HA -0.202 4.538 4.740 -0.000 0.000 0.198 518 N C 1.460 176.909 175.510 -0.101 0.000 1.041 518 N CA 1.951 54.946 53.050 -0.092 0.000 0.862 518 N CB -0.853 37.593 38.487 -0.068 0.000 1.048 518 N HN 0.519 nan 8.380 nan 0.000 0.427 519 D N -0.467 119.865 120.400 -0.114 0.000 2.271 519 D HA -0.117 4.523 4.640 -0.000 0.000 0.207 519 D C 1.698 177.918 176.300 -0.134 0.000 0.983 519 D CA 0.776 54.713 54.000 -0.105 0.000 0.878 519 D CB -0.013 40.732 40.800 -0.092 0.000 0.920 519 D HN 0.226 nan 8.370 nan 0.000 0.479 520 M N -0.640 118.837 119.600 -0.205 0.000 2.276 520 M HA 0.098 4.578 4.480 -0.000 0.000 0.262 520 M C 2.237 178.464 176.300 -0.122 0.000 1.098 520 M CA 0.617 55.796 55.300 -0.203 0.000 1.167 520 M CB -0.917 31.478 32.600 -0.341 0.000 1.337 520 M HN 0.025 nan 8.290 nan 0.000 0.446 521 L N -0.173 120.980 121.223 -0.117 0.000 2.081 521 L HA -0.192 4.148 4.340 -0.000 0.000 0.212 521 L C 2.503 179.338 176.870 -0.058 0.000 1.080 521 L CA 1.469 56.259 54.840 -0.082 0.000 0.754 521 L CB -1.570 40.441 42.059 -0.081 0.000 0.893 521 L HN 0.418 nan 8.230 nan 0.000 0.433 522 G N 0.078 108.844 108.800 -0.056 0.000 2.529 522 G HA2 -0.297 3.663 3.960 -0.000 0.000 0.219 522 G HA3 -0.297 3.663 3.960 -0.000 0.000 0.219 522 G C 1.695 176.585 174.900 -0.017 0.000 1.177 522 G CA 0.892 45.972 45.100 -0.032 0.000 0.773 522 G HN 0.333 nan 8.290 nan 0.000 0.573 523 R N -0.206 120.278 120.500 -0.026 0.000 2.105 523 R HA -0.051 4.289 4.340 -0.000 0.000 0.239 523 R C 2.647 178.954 176.300 0.010 0.000 1.135 523 R CA 1.191 57.285 56.100 -0.010 0.000 0.967 523 R CB -0.598 29.688 30.300 -0.023 0.000 0.861 523 R HN 0.345 nan 8.270 nan 0.000 0.442 524 V N 1.132 121.047 119.914 0.003 0.000 2.216 524 V HA -0.271 3.849 4.120 -0.000 0.000 0.243 524 V C 2.526 178.667 176.094 0.078 0.000 1.044 524 V CA 2.017 64.336 62.300 0.031 0.000 0.995 524 V CB -1.004 30.814 31.823 -0.009 0.000 0.633 524 V HN 0.423 nan 8.190 nan 0.000 0.446 525 A N 0.026 122.867 122.820 0.035 0.000 1.915 525 A HA -0.284 4.036 4.320 -0.000 0.000 0.220 525 A C 2.164 179.833 177.584 0.141 0.000 1.198 525 A CA 2.605 54.680 52.037 0.064 0.000 0.647 525 A CB -0.779 18.226 19.000 0.007 0.000 0.825 525 A HN 0.544 nan 8.150 nan 0.000 0.456 526 I N -0.538 120.084 120.570 0.087 0.000 2.076 526 I HA -0.333 3.837 4.170 -0.000 0.000 0.237 526 I C 3.030 179.203 176.117 0.094 0.000 1.059 526 I CA 1.361 62.708 61.300 0.079 0.000 1.317 526 I CB -0.663 37.363 38.000 0.043 0.000 1.037 526 I HN 0.383 nan 8.210 nan 0.000 0.398 527 A N 0.728 123.597 122.820 0.082 0.000 1.948 527 A HA -0.280 4.040 4.320 -0.000 0.000 0.220 527 A C 2.253 179.893 177.584 0.093 0.000 1.177 527 A CA 1.785 53.858 52.037 0.059 0.000 0.636 527 A CB -1.220 17.812 19.000 0.054 0.000 0.815 527 A HN 0.775 nan 8.150 nan 0.000 0.449 528 W N 0.091 121.379 121.300 -0.019 0.000 2.354 528 W HA -0.249 4.411 4.660 -0.000 0.000 0.315 528 W C 2.563 179.081 176.519 -0.001 0.000 1.206 528 W CA 1.870 59.208 57.345 -0.012 0.000 1.290 528 W CB -0.867 28.585 29.460 -0.013 0.000 1.152 528 W HN 0.479 nan 8.180 nan 0.000 0.489 529 c N 1.964 120.695 118.600 0.218 0.000 2.393 529 c HA -0.253 4.317 4.570 -0.000 0.000 0.276 529 c C 2.506 176.603 174.090 0.011 0.000 1.215 529 c CA 2.296 58.688 56.329 0.105 0.000 1.743 529 c CB -1.225 41.360 42.510 0.126 0.000 2.044 529 c HN 0.465 nan 8.230 nan 0.000 0.464 530 E N -0.036 120.177 120.200 0.021 0.000 2.070 530 E HA -0.269 4.081 4.350 -0.000 0.000 0.197 530 E C 1.991 178.570 176.600 -0.035 0.000 1.004 530 E CA 1.633 58.043 56.400 0.017 0.000 0.805 530 E CB -0.438 29.231 29.700 -0.052 0.000 0.744 530 E HN 0.674 nan 8.360 nan 0.000 0.451 531 L N 1.461 122.591 121.223 -0.155 0.000 1.970 531 L HA -0.251 4.089 4.340 -0.000 0.000 0.212 531 L C 2.151 178.917 176.870 -0.173 0.000 1.071 531 L CA 1.898 56.609 54.840 -0.215 0.000 0.751 531 L CB -0.573 41.282 42.059 -0.340 0.000 0.889 531 L HN 0.029 nan 8.230 nan 0.000 0.432 532 Q N -0.128 119.492 119.800 -0.300 0.000 2.248 532 Q HA -0.192 4.148 4.340 -0.000 0.000 0.208 532 Q C 2.044 178.008 176.000 -0.061 0.000 0.984 532 Q CA 1.613 57.280 55.803 -0.226 0.000 0.875 532 Q CB -0.845 27.731 28.738 -0.270 0.000 0.910 532 Q HN 0.623 nan 8.270 nan 0.000 0.433 533 N N -0.076 118.632 118.700 0.014 0.000 2.135 533 N HA -0.104 4.636 4.740 -0.000 0.000 0.186 533 N C 1.601 177.165 175.510 0.088 0.000 1.027 533 N CA 1.097 54.187 53.050 0.067 0.000 0.849 533 N CB -0.487 38.064 38.487 0.106 0.000 1.002 533 N HN 0.391 nan 8.380 nan 0.000 0.425 534 H N 0.907 119.962 119.070 -0.024 0.000 2.428 534 H HA 0.094 4.650 4.556 -0.000 0.000 0.296 534 H C 1.632 176.971 175.328 0.017 0.000 1.062 534 H CA 0.838 56.882 56.048 -0.005 0.000 1.350 534 H CB 0.068 29.819 29.762 -0.018 0.000 1.403 534 H HN 0.192 nan 8.280 nan 0.000 0.533 535 E N 0.374 120.660 120.200 0.142 0.000 2.085 535 E HA -0.150 4.200 4.350 -0.000 0.000 0.194 535 E C 2.262 179.026 176.600 0.272 0.000 0.994 535 E CA 0.525 57.024 56.400 0.165 0.000 0.801 535 E CB -0.475 29.319 29.700 0.157 0.000 0.743 535 E HN 0.297 nan 8.360 nan 0.000 0.453 536 L N 1.455 122.795 121.223 0.194 0.000 2.043 536 L HA -0.178 4.162 4.340 -0.000 0.000 0.212 536 L C 2.132 179.125 176.870 0.205 0.000 1.075 536 L CA 1.970 56.928 54.840 0.197 0.000 0.752 536 L CB -1.104 41.006 42.059 0.085 0.000 0.891 536 L HN 0.045 nan 8.230 nan 0.000 0.432 537 T N -0.104 114.520 114.554 0.118 0.000 2.778 537 T HA -0.224 4.126 4.350 -0.000 0.000 0.269 537 T C 1.904 176.653 174.700 0.083 0.000 1.050 537 T CA 1.944 64.091 62.100 0.078 0.000 1.137 537 T CB -0.300 68.582 68.868 0.022 0.000 0.860 537 T HN 0.349 nan 8.240 nan 0.000 0.468 538 L N -1.426 119.842 121.223 0.075 0.000 2.049 538 L HA 0.033 4.373 4.340 -0.000 0.000 0.203 538 L C 2.415 179.284 176.870 -0.003 0.000 1.074 538 L CA 1.183 56.013 54.840 -0.016 0.000 0.749 538 L CB -0.604 41.382 42.059 -0.121 0.000 0.907 538 L HN 0.319 nan 8.230 nan 0.000 0.439 539 W N 0.928 122.235 121.300 0.012 0.000 2.359 539 W HA -0.183 4.477 4.660 -0.000 0.000 0.275 539 W C 2.481 179.100 176.519 0.166 0.000 1.217 539 W CA 0.707 58.066 57.345 0.023 0.000 1.196 539 W CB -0.500 28.888 29.460 -0.121 0.000 1.129 539 W HN 0.215 nan 8.180 nan 0.000 0.566 540 N N 0.260 119.177 118.700 0.362 0.000 2.051 540 N HA -0.150 4.590 4.740 -0.000 0.000 0.192 540 N C 1.562 177.176 175.510 0.174 0.000 1.049 540 N CA 1.466 54.695 53.050 0.299 0.000 0.845 540 N CB -0.890 37.717 38.487 0.201 0.000 1.031 540 N HN 0.114 nan 8.380 nan 0.000 0.425 541 E N 1.115 121.377 120.200 0.102 0.000 2.209 541 E HA -0.087 4.263 4.350 -0.000 0.000 0.196 541 E C 1.743 178.371 176.600 0.046 0.000 0.993 541 E CA 0.573 57.005 56.400 0.054 0.000 0.819 541 E CB -0.228 29.486 29.700 0.024 0.000 0.745 541 E HN 0.343 nan 8.360 nan 0.000 0.477 542 A N 1.998 124.848 122.820 0.050 0.000 1.897 542 A HA -0.184 4.136 4.320 -0.000 0.000 0.215 542 A C 2.148 179.780 177.584 0.079 0.000 1.181 542 A CA 1.455 53.500 52.037 0.012 0.000 0.620 542 A CB -0.505 18.433 19.000 -0.102 0.000 0.821 542 A HN 0.299 nan 8.150 nan 0.000 0.443 543 R N 0.098 120.702 120.500 0.173 0.000 2.341 543 R HA -0.023 4.317 4.340 -0.000 0.000 0.213 543 R C 1.248 177.609 176.300 0.101 0.000 1.082 543 R CA 1.429 57.640 56.100 0.185 0.000 1.017 543 R CB -0.374 30.091 30.300 0.275 0.000 0.860 543 R HN 0.408 nan 8.270 nan 0.000 0.473 544 K N 0.681 121.124 120.400 0.073 0.000 2.439 544 K HA 0.051 4.371 4.320 -0.000 0.000 0.197 544 K C 1.548 178.171 176.600 0.039 0.000 1.041 544 K CA 0.738 57.051 56.287 0.044 0.000 0.970 544 K CB 0.123 32.643 32.500 0.033 0.000 0.773 544 K HN 0.284 nan 8.250 nan 0.000 0.479 545 L N -0.755 120.493 121.223 0.042 0.000 2.433 545 L HA 0.095 4.435 4.340 -0.000 0.000 0.200 545 L C 0.939 177.835 176.870 0.043 0.000 1.059 545 L CA 0.306 55.167 54.840 0.034 0.000 0.835 545 L CB 0.214 42.285 42.059 0.020 0.000 1.076 545 L HN 0.076 nan 8.230 nan 0.000 0.481 546 N N -0.253 118.479 118.700 0.054 0.000 2.723 546 N HA 0.177 4.917 4.740 -0.000 0.000 0.290 546 N C -2.137 173.423 175.510 0.082 0.000 1.882 546 N CA -1.007 52.080 53.050 0.062 0.000 0.851 546 N CB 1.541 40.062 38.487 0.057 0.000 1.234 546 N HN -0.122 nan 8.380 nan 0.000 0.491 547 P HA -0.174 nan 4.420 nan 0.000 0.217 547 P C 0.917 178.270 177.300 0.088 0.000 1.162 547 P CA 1.583 64.737 63.100 0.091 0.000 0.901 547 P CB 0.365 32.102 31.700 0.061 0.000 0.793 548 N N -0.453 118.286 118.700 0.065 0.000 2.037 548 N HA -0.197 4.543 4.740 -0.000 0.000 0.196 548 N C 1.773 177.315 175.510 0.054 0.000 1.034 548 N CA 1.965 55.046 53.050 0.051 0.000 0.861 548 N CB -1.422 37.091 38.487 0.043 0.000 1.039 548 N HN 0.100 nan 8.380 nan 0.000 0.427 549 A N 0.652 123.511 122.820 0.064 0.000 1.851 549 A HA -0.109 4.211 4.320 -0.000 0.000 0.216 549 A C 2.216 179.864 177.584 0.107 0.000 1.195 549 A CA 1.392 53.471 52.037 0.069 0.000 0.622 549 A CB -0.903 18.139 19.000 0.069 0.000 0.831 549 A HN 0.152 nan 8.150 nan 0.000 0.444 550 I N 0.272 120.933 120.570 0.152 0.000 2.099 550 I HA -0.272 3.897 4.170 -0.000 0.000 0.239 550 I C 2.962 179.205 176.117 0.209 0.000 1.066 550 I CA 1.602 63.053 61.300 0.252 0.000 1.324 550 I CB -0.776 37.415 38.000 0.318 0.000 1.037 550 I HN 0.335 nan 8.210 nan 0.000 0.401 551 A N -0.526 122.401 122.820 0.179 0.000 1.917 551 A HA -0.263 4.057 4.320 -0.000 0.000 0.219 551 A C 2.503 180.132 177.584 0.075 0.000 1.182 551 A CA 2.462 54.586 52.037 0.144 0.000 0.633 551 A CB -1.124 17.942 19.000 0.110 0.000 0.819 551 A HN 0.442 nan 8.150 nan 0.000 0.448 552 S N -1.066 114.663 115.700 0.049 0.000 2.365 552 S HA -0.165 4.305 4.470 -0.000 0.000 0.225 552 S C 1.852 176.454 174.600 0.002 0.000 1.039 552 S CA 1.470 59.670 58.200 0.000 0.000 1.033 552 S CB -0.589 62.593 63.200 -0.030 0.000 0.887 552 S HN 0.424 nan 8.310 nan 0.000 0.447 553 V N 1.552 121.488 119.914 0.037 0.000 2.970 553 V HA -0.090 4.030 4.120 -0.000 0.000 0.260 553 V C 1.944 178.009 176.094 -0.049 0.000 1.100 553 V CA 1.770 64.086 62.300 0.026 0.000 1.122 553 V CB -0.774 31.118 31.823 0.115 0.000 0.721 553 V HN 0.550 nan 8.190 nan 0.000 0.483 554 T N -0.724 113.798 114.554 -0.053 0.000 2.978 554 T HA -0.027 4.323 4.350 -0.000 0.000 0.262 554 T C 1.606 176.260 174.700 -0.077 0.000 1.063 554 T CA 1.507 63.525 62.100 -0.136 0.000 1.140 554 T CB 0.231 69.054 68.868 -0.074 0.000 0.886 554 T HN 0.389 nan 8.240 nan 0.000 0.470 555 V N 0.083 119.981 119.914 -0.028 0.000 3.590 555 V HA 0.388 4.508 4.120 -0.000 0.000 0.265 555 V C 1.962 178.039 176.094 -0.029 0.000 1.239 555 V CA 0.560 62.848 62.300 -0.020 0.000 1.117 555 V CB -0.439 31.383 31.823 -0.002 0.000 0.818 555 V HN 0.590 nan 8.190 nan 0.000 0.451 556 G N 2.035 110.815 108.800 -0.034 0.000 2.143 556 G HA2 -0.263 3.697 3.960 -0.000 0.000 0.249 556 G HA3 -0.263 3.697 3.960 -0.000 0.000 0.249 556 G C 0.226 175.107 174.900 -0.033 0.000 0.981 556 G CA 0.336 45.417 45.100 -0.031 0.000 0.665 556 G HN 0.796 nan 8.290 nan 0.000 0.528 557 R N -1.669 118.805 120.500 -0.043 0.000 2.643 557 R HA 0.702 5.042 4.340 -0.000 0.000 0.269 557 R C -0.356 175.876 176.300 -0.114 0.000 1.037 557 R CA -1.308 54.751 56.100 -0.069 0.000 0.894 557 R CB 1.018 31.294 30.300 -0.041 0.000 1.238 557 R HN -0.036 nan 8.270 nan 0.000 0.459 558 R N 1.647 122.008 120.500 -0.232 0.000 2.473 558 R HA 0.125 4.465 4.340 -0.000 0.000 0.315 558 R C 0.004 176.191 176.300 -0.188 0.000 0.972 558 R CA 0.099 55.997 56.100 -0.336 0.000 1.047 558 R CB 0.178 29.948 30.300 -0.882 0.000 0.932 558 R HN 0.568 nan 8.270 nan 0.000 0.411 559 V N -0.918 118.934 119.914 -0.103 0.000 3.049 559 V HA 0.615 4.735 4.120 -0.000 0.000 0.309 559 V C -0.042 176.046 176.094 -0.010 0.000 1.148 559 V CA -1.185 61.093 62.300 -0.038 0.000 0.990 559 V CB 2.333 34.148 31.823 -0.014 0.000 1.039 559 V HN 0.687 nan 8.190 nan 0.000 0.430 560 S N 1.889 117.596 115.700 0.012 0.000 2.537 560 S HA 0.927 5.397 4.470 -0.000 0.000 0.275 560 S C -0.074 174.542 174.600 0.027 0.000 1.272 560 S CA 0.092 58.307 58.200 0.026 0.000 1.050 560 S CB 1.192 64.414 63.200 0.037 0.000 0.961 560 S HN 2.356 nan 8.310 nan 0.000 0.496 561 A N 2.658 125.497 122.820 0.032 0.000 2.572 561 A HA 0.923 5.243 4.320 -0.000 0.000 0.295 561 A C -0.599 177.003 177.584 0.030 0.000 1.072 561 A CA -1.292 50.764 52.037 0.031 0.000 0.691 561 A CB 1.529 20.554 19.000 0.042 0.000 1.291 561 A HN 1.179 nan 8.150 nan 0.000 0.404 562 R N 1.057 121.569 120.500 0.019 0.000 2.594 562 R HA 0.530 4.870 4.340 -0.000 0.000 0.265 562 R C -1.392 174.908 176.300 0.000 0.000 1.070 562 R CA -0.954 55.155 56.100 0.015 0.000 0.909 562 R CB 0.856 31.166 30.300 0.017 0.000 1.243 562 R HN 0.481 nan 8.270 nan 0.000 0.455 563 M N 3.451 123.050 119.600 -0.002 0.000 2.435 563 M HA 0.073 4.553 4.480 -0.000 0.000 0.338 563 M C -0.120 176.170 176.300 -0.018 0.000 1.628 563 M CA -0.421 54.868 55.300 -0.019 0.000 1.215 563 M CB 0.020 32.611 32.600 -0.015 0.000 1.905 563 M HN 0.591 nan 8.290 nan 0.000 0.457 564 L N 4.835 126.043 121.223 -0.025 0.000 2.796 564 L HA 0.383 4.723 4.340 -0.000 0.000 0.235 564 L C 0.957 177.812 176.870 -0.025 0.000 1.344 564 L CA 0.874 55.702 54.840 -0.020 0.000 1.245 564 L CB -0.804 41.243 42.059 -0.019 0.000 1.556 564 L HN 0.982 nan 8.230 nan 0.000 0.423 565 G N 0.681 109.466 108.800 -0.023 0.000 2.972 565 G HA2 -0.312 3.648 3.960 -0.000 0.000 0.265 565 G HA3 -0.312 3.648 3.960 -0.000 0.000 0.265 565 G C 0.659 175.537 174.900 -0.036 0.000 1.506 565 G CA 0.235 45.321 45.100 -0.025 0.000 1.016 565 G HN 0.315 nan 8.290 nan 0.000 0.563 566 D N 0.777 121.150 120.400 -0.045 0.000 2.388 566 D HA 0.280 4.920 4.640 -0.000 0.000 0.208 566 D C 1.871 178.110 176.300 -0.100 0.000 1.035 566 D CA 1.114 55.077 54.000 -0.063 0.000 0.875 566 D CB 0.550 41.321 40.800 -0.050 0.000 0.984 566 D HN 0.805 nan 8.370 nan 0.000 0.508 567 V N -1.384 118.477 119.914 -0.089 0.000 3.665 567 V HA 0.501 4.621 4.120 -0.000 0.000 0.279 567 V C 0.125 176.151 176.094 -0.113 0.000 1.000 567 V CA -0.842 61.390 62.300 -0.112 0.000 0.935 567 V CB 1.379 33.158 31.823 -0.074 0.000 1.240 567 V HN -0.060 nan 8.190 nan 0.000 0.418 568 M N 1.327 120.865 119.600 -0.103 0.000 2.149 568 M HA 0.692 5.172 4.480 -0.000 0.000 0.273 568 M C -0.478 175.800 176.300 -0.036 0.000 0.972 568 M CA -0.591 54.665 55.300 -0.073 0.000 0.984 568 M CB 1.239 33.781 32.600 -0.097 0.000 1.699 568 M HN 1.157 nan 8.290 nan 0.000 0.462 569 A N 4.028 126.837 122.820 -0.020 0.000 2.440 569 A HA 0.595 4.915 4.320 -0.000 0.000 0.251 569 A C -0.405 177.181 177.584 0.004 0.000 1.089 569 A CA -0.313 51.720 52.037 -0.006 0.000 0.779 569 A CB 0.093 19.092 19.000 -0.002 0.000 1.022 569 A HN 0.959 nan 8.150 nan 0.000 0.492 570 V N -0.355 119.563 119.914 0.007 0.000 3.078 570 V HA 0.962 5.082 4.120 -0.000 0.000 0.311 570 V C -0.236 175.867 176.094 0.015 0.000 1.138 570 V CA -0.525 61.783 62.300 0.014 0.000 1.007 570 V CB 1.818 33.651 31.823 0.017 0.000 1.045 570 V HN 0.936 nan 8.190 nan 0.000 0.432 571 S N 0.468 116.179 115.700 0.018 0.000 2.543 571 S HA 0.589 5.059 4.470 -0.000 0.000 0.273 571 S C -0.227 174.386 174.600 0.021 0.000 1.152 571 S CA -0.564 57.648 58.200 0.020 0.000 0.910 571 S CB 1.981 65.195 63.200 0.024 0.000 1.105 571 S HN 1.104 nan 8.310 nan 0.000 0.465 572 T N 1.664 116.230 114.554 0.021 0.000 2.734 572 T HA 0.260 4.610 4.350 -0.000 0.000 0.314 572 T C 0.183 174.906 174.700 0.039 0.000 1.057 572 T CA -0.188 61.925 62.100 0.021 0.000 1.047 572 T CB 0.027 68.911 68.868 0.026 0.000 0.991 572 T HN 0.689 nan 8.240 nan 0.000 0.540 573 c N 1.751 120.379 118.600 0.046 0.000 2.435 573 c HA 0.699 5.269 4.570 -0.000 0.000 0.333 573 c C 0.339 174.553 174.090 0.207 0.000 1.202 573 c CA -0.967 55.430 56.329 0.113 0.000 1.830 573 c CB 0.850 43.398 42.510 0.063 0.000 2.326 573 c HN 0.800 nan 8.230 nan 0.000 0.507 574 V N 0.832 120.888 119.914 0.238 0.000 2.398 574 V HA 0.518 4.638 4.120 -0.000 0.000 0.286 574 V C -2.719 173.506 176.094 0.219 0.000 1.026 574 V CA -2.136 60.295 62.300 0.219 0.000 0.868 574 V CB 0.678 32.600 31.823 0.164 0.000 0.982 574 V HN 0.732 nan 8.190 nan 0.000 0.443 575 P HA 0.330 nan 4.420 nan 0.000 0.269 575 P C -0.743 176.522 177.300 -0.058 0.000 1.209 575 P CA -0.020 62.998 63.100 -0.138 0.000 0.776 575 P CB 0.937 32.602 31.700 -0.058 0.000 0.876 576 V N 1.966 121.791 119.914 -0.148 0.000 2.569 576 V HA 0.513 4.633 4.120 -0.000 0.000 0.301 576 V C 0.406 176.487 176.094 -0.022 0.000 1.044 576 V CA -0.983 61.280 62.300 -0.061 0.000 0.874 576 V CB 1.349 33.066 31.823 -0.175 0.000 1.002 576 V HN 0.734 nan 8.190 nan 0.000 0.424 577 A N 3.715 126.534 122.820 -0.001 0.000 2.433 577 A HA 0.560 4.880 4.320 -0.000 0.000 0.250 577 A C 1.584 179.191 177.584 0.038 0.000 1.113 577 A CA 0.778 52.823 52.037 0.013 0.000 0.794 577 A CB 0.200 19.207 19.000 0.012 0.000 1.067 577 A HN 1.466 nan 8.150 nan 0.000 0.510 578 A N -0.795 122.049 122.820 0.040 0.000 1.975 578 A HA 0.032 4.352 4.320 -0.000 0.000 0.215 578 A C 1.352 178.937 177.584 0.002 0.000 1.170 578 A CA 1.446 53.511 52.037 0.046 0.000 0.656 578 A CB -0.370 18.643 19.000 0.021 0.000 0.821 578 A HN 0.734 nan 8.150 nan 0.000 0.449 579 D N 0.753 121.153 120.400 0.001 0.000 2.378 579 D HA -0.056 4.584 4.640 -0.000 0.000 0.222 579 D C 0.038 176.332 176.300 -0.010 0.000 0.980 579 D CA 0.605 54.604 54.000 -0.002 0.000 0.907 579 D CB -0.137 40.665 40.800 0.002 0.000 0.899 579 D HN 0.332 nan 8.370 nan 0.000 0.527 580 N N 0.161 118.848 118.700 -0.021 0.000 2.401 580 N HA 0.114 4.854 4.740 -0.000 0.000 0.264 580 N C -0.794 174.682 175.510 -0.056 0.000 1.238 580 N CA 0.009 53.042 53.050 -0.029 0.000 0.889 580 N CB 1.780 40.257 38.487 -0.016 0.000 1.196 580 N HN -0.096 nan 8.380 nan 0.000 0.511 581 V N 1.376 121.243 119.914 -0.078 0.000 2.808 581 V HA 0.596 4.716 4.120 -0.000 0.000 0.308 581 V C -0.270 175.812 176.094 -0.020 0.000 1.099 581 V CA -0.983 61.239 62.300 -0.130 0.000 0.920 581 V CB 2.693 34.261 31.823 -0.424 0.000 1.014 581 V HN 0.144 nan 8.190 nan 0.000 0.425 582 I N 1.342 121.910 120.570 -0.004 0.000 3.095 582 I HA 0.890 5.060 4.170 -0.000 0.000 0.310 582 I C -1.407 174.707 176.117 -0.005 0.000 1.196 582 I CA -1.109 60.215 61.300 0.039 0.000 0.985 582 I CB 2.497 40.493 38.000 -0.006 0.000 1.250 582 I HN 0.274 nan 8.210 nan 0.000 0.446 583 V N 2.371 122.261 119.914 -0.040 0.000 2.581 583 V HA 0.374 4.494 4.120 -0.000 0.000 0.303 583 V C -0.075 175.976 176.094 -0.071 0.000 1.041 583 V CA -0.669 61.568 62.300 -0.105 0.000 0.907 583 V CB 1.648 33.357 31.823 -0.189 0.000 0.994 583 V HN 0.694 nan 8.190 nan 0.000 0.442 584 Q N 2.391 122.144 119.800 -0.079 0.000 2.337 584 Q HA 0.141 4.481 4.340 -0.000 0.000 0.270 584 Q C 0.703 176.749 176.000 0.078 0.000 1.002 584 Q CA 0.051 55.825 55.803 -0.049 0.000 0.888 584 Q CB 0.737 29.403 28.738 -0.120 0.000 1.222 584 Q HN 0.680 nan 8.270 nan 0.000 0.400 585 N N 0.493 119.227 118.700 0.056 0.000 2.120 585 N HA -0.108 4.632 4.740 -0.000 0.000 0.188 585 N C 0.581 176.259 175.510 0.281 0.000 1.024 585 N CA 0.804 53.918 53.050 0.106 0.000 0.852 585 N CB 0.076 38.574 38.487 0.019 0.000 1.003 585 N HN 0.358 nan 8.380 nan 0.000 0.424 586 S N -0.759 115.064 115.700 0.204 0.000 2.593 586 S HA 0.478 4.948 4.470 -0.000 0.000 0.297 586 S C 0.376 175.100 174.600 0.207 0.000 1.112 586 S CA -0.602 57.742 58.200 0.240 0.000 1.043 586 S CB 0.865 64.158 63.200 0.154 0.000 1.054 586 S HN 0.062 nan 8.310 nan 0.000 0.516 587 M N 2.841 122.609 119.600 0.279 0.000 2.412 587 M HA 0.267 4.747 4.480 -0.000 0.000 0.315 587 M C -0.159 176.371 176.300 0.382 0.000 1.092 587 M CA -0.018 55.459 55.300 0.295 0.000 0.974 587 M CB 0.395 33.161 32.600 0.277 0.000 1.437 587 M HN 0.380 nan 8.290 nan 0.000 0.524 588 R N 1.227 121.864 120.500 0.229 0.000 2.393 588 R HA 0.545 4.885 4.340 -0.000 0.000 0.310 588 R C -0.583 175.738 176.300 0.035 0.000 0.968 588 R CA -0.529 55.587 56.100 0.027 0.000 0.867 588 R CB 1.739 32.026 30.300 -0.021 0.000 1.124 588 R HN 0.205 nan 8.270 nan 0.000 0.450 589 I N 3.122 123.615 120.570 -0.129 0.000 2.278 589 I HA -0.043 4.127 4.170 -0.000 0.000 0.296 589 I C 1.593 177.659 176.117 -0.085 0.000 1.121 589 I CA 0.001 61.227 61.300 -0.123 0.000 1.267 589 I CB 0.957 38.778 38.000 -0.299 0.000 1.447 589 I HN 0.795 nan 8.210 nan 0.000 0.509 590 S N 2.919 118.601 115.700 -0.029 0.000 2.400 590 S HA -0.211 4.259 4.470 -0.000 0.000 0.232 590 S C 1.965 176.542 174.600 -0.038 0.000 1.025 590 S CA 1.376 59.558 58.200 -0.029 0.000 0.993 590 S CB -0.371 62.825 63.200 -0.006 0.000 0.808 590 S HN 0.751 nan 8.310 nan 0.000 0.478 591 S N 1.093 116.770 115.700 -0.038 0.000 2.461 591 S HA 0.233 4.703 4.470 -0.000 0.000 0.228 591 S C 1.110 175.675 174.600 -0.058 0.000 1.005 591 S CA 0.418 58.594 58.200 -0.039 0.000 0.942 591 S CB -0.570 62.613 63.200 -0.029 0.000 0.776 591 S HN 0.896 nan 8.310 nan 0.000 0.514 592 R N 1.508 121.957 120.500 -0.085 0.000 2.513 592 R HA 0.695 5.035 4.340 -0.000 0.000 0.283 592 R C -3.424 172.803 176.300 -0.122 0.000 1.535 592 R CA -2.054 53.985 56.100 -0.102 0.000 1.315 592 R CB -0.619 29.607 30.300 -0.124 0.000 1.163 592 R HN 0.333 nan 8.270 nan 0.000 0.573 593 P HA 0.215 nan 4.420 nan 0.000 0.268 593 P C 1.171 178.401 177.300 -0.117 0.000 1.208 593 P CA 1.792 64.829 63.100 -0.104 0.000 0.777 593 P CB 1.250 32.906 31.700 -0.073 0.000 0.875 594 G N 1.062 109.780 108.800 -0.136 0.000 2.189 594 G HA2 -0.222 3.738 3.960 -0.000 0.000 0.267 594 G HA3 -0.222 3.738 3.960 -0.000 0.000 0.267 594 G C 0.355 175.158 174.900 -0.162 0.000 0.975 594 G CA 0.232 45.252 45.100 -0.134 0.000 0.644 594 G HN 0.878 nan 8.290 nan 0.000 0.537 595 A N -0.256 122.447 122.820 -0.194 0.000 2.536 595 A HA 0.687 5.006 4.320 -0.000 0.000 0.329 595 A C 0.591 177.978 177.584 -0.327 0.000 1.321 595 A CA 0.282 52.185 52.037 -0.224 0.000 0.804 595 A CB 0.271 19.156 19.000 -0.191 0.000 1.126 595 A HN 0.784 nan 8.150 nan 0.000 0.480 596 c N 0.024 118.400 118.600 -0.373 0.000 2.478 596 c HA 0.622 5.192 4.570 -0.000 0.000 0.379 596 c C 0.230 174.120 174.090 -0.334 0.000 1.470 596 c CA -0.588 55.466 56.329 -0.457 0.000 2.066 596 c CB -0.023 41.947 42.510 -0.901 0.000 2.001 596 c HN 0.701 nan 8.230 nan 0.000 0.550 597 Y N 0.296 120.574 120.300 -0.036 0.000 2.352 597 Y HA 0.303 4.853 4.550 -0.000 0.000 0.326 597 Y C 1.568 177.532 175.900 0.106 0.000 1.166 597 Y CA 0.102 58.212 58.100 0.017 0.000 1.182 597 Y CB 1.264 39.707 38.460 -0.029 0.000 1.216 597 Y HN 0.783 nan 8.280 nan 0.000 0.474 598 S N 1.170 117.017 115.700 0.244 0.000 2.492 598 S HA 0.329 4.799 4.470 -0.000 0.000 0.218 598 S C 0.351 175.007 174.600 0.093 0.000 1.016 598 S CA -0.143 58.179 58.200 0.204 0.000 0.916 598 S CB 0.316 63.611 63.200 0.158 0.000 0.791 598 S HN 0.638 nan 8.310 nan 0.000 0.513 599 R N 1.392 121.874 120.500 -0.031 0.000 2.522 599 R HA 0.457 4.797 4.340 -0.000 0.000 0.283 599 R C -3.255 172.791 176.300 -0.423 0.000 1.074 599 R CA -1.995 53.904 56.100 -0.334 0.000 0.925 599 R CB 1.805 31.966 30.300 -0.232 0.000 1.205 599 R HN 0.130 nan 8.270 nan 0.000 0.436 600 P HA -0.042 nan 4.420 nan 0.000 0.269 600 P C -0.535 176.465 177.300 -0.499 0.000 1.205 600 P CA 0.230 62.930 63.100 -0.666 0.000 0.780 600 P CB 0.581 31.777 31.700 -0.841 0.000 0.858 601 L N 0.921 121.861 121.223 -0.472 0.000 2.352 601 L HA 0.724 5.064 4.340 -0.000 0.000 0.269 601 L C 0.559 177.299 176.870 -0.216 0.000 1.034 601 L CA -0.856 53.775 54.840 -0.348 0.000 0.806 601 L CB 1.225 43.046 42.059 -0.397 0.000 1.244 601 L HN 0.213 nan 8.230 nan 0.000 0.447 602 V N -2.163 117.670 119.914 -0.135 0.000 3.112 602 V HA 0.826 4.946 4.120 -0.000 0.000 0.310 602 V C -0.665 175.407 176.094 -0.037 0.000 1.364 602 V CA -0.569 61.685 62.300 -0.077 0.000 1.058 602 V CB 1.984 33.775 31.823 -0.054 0.000 1.079 602 V HN 0.744 nan 8.190 nan 0.000 0.463 603 S N 0.382 116.075 115.700 -0.012 0.000 2.537 603 S HA 0.941 5.411 4.470 -0.000 0.000 0.271 603 S C -1.272 173.323 174.600 -0.008 0.000 1.148 603 S CA -0.403 57.751 58.200 -0.076 0.000 0.868 603 S CB 1.683 64.805 63.200 -0.131 0.000 1.115 603 S HN 1.714 nan 8.310 nan 0.000 0.461 604 F N -0.463 119.363 119.950 -0.207 0.000 2.693 604 F HA 0.832 5.359 4.527 -0.000 0.000 0.309 604 F C -1.059 174.558 175.800 -0.306 0.000 1.129 604 F CA -1.297 56.543 58.000 -0.266 0.000 0.948 604 F CB 1.272 40.072 39.000 -0.333 0.000 1.315 604 F HN 0.589 nan 8.300 nan 0.000 0.447 605 R N 0.984 121.421 120.500 -0.106 0.000 2.561 605 R HA 0.489 4.829 4.340 -0.000 0.000 0.297 605 R C -1.011 175.241 176.300 -0.079 0.000 0.969 605 R CA -0.779 55.226 56.100 -0.158 0.000 0.879 605 R CB 1.285 31.542 30.300 -0.071 0.000 1.178 605 R HN 0.811 nan 8.270 nan 0.000 0.445 606 Y N 0.936 121.315 120.300 0.132 0.000 2.163 606 Y HA -0.055 4.495 4.550 -0.000 0.000 0.288 606 Y C 0.310 176.245 175.900 0.059 0.000 1.136 606 Y CA 1.029 59.196 58.100 0.110 0.000 1.147 606 Y CB 0.015 38.537 38.460 0.102 0.000 0.987 606 Y HN 0.562 nan 8.280 nan 0.000 0.509 607 E N 0.094 120.416 120.200 0.202 0.000 2.283 607 E HA 0.070 4.420 4.350 -0.000 0.000 0.267 607 E C 0.361 176.999 176.600 0.064 0.000 1.045 607 E CA -0.156 56.310 56.400 0.111 0.000 0.884 607 E CB 0.632 30.387 29.700 0.091 0.000 1.106 607 E HN 0.066 nan 8.360 nan 0.000 0.408 608 D N 0.941 121.367 120.400 0.044 0.000 2.221 608 D HA -0.150 4.490 4.640 -0.000 0.000 0.204 608 D C -0.221 176.090 176.300 0.018 0.000 0.982 608 D CA 1.354 55.370 54.000 0.026 0.000 0.857 608 D CB 0.108 40.920 40.800 0.021 0.000 0.934 608 D HN 0.306 nan 8.370 nan 0.000 0.475 609 Q N -0.385 119.430 119.800 0.024 0.000 2.464 609 Q HA 0.621 4.961 4.340 -0.000 0.000 0.256 609 Q C -0.205 175.808 176.000 0.022 0.000 1.020 609 Q CA -0.591 55.222 55.803 0.016 0.000 0.716 609 Q CB 2.203 30.950 28.738 0.014 0.000 1.230 609 Q HN 0.120 nan 8.270 nan 0.000 0.494 610 G N 2.045 110.853 108.800 0.013 0.000 2.506 610 G HA2 0.468 4.428 3.960 -0.000 0.000 0.292 610 G HA3 0.468 4.428 3.960 -0.000 0.000 0.292 610 G C -3.149 171.744 174.900 -0.013 0.000 1.425 610 G CA -0.897 44.214 45.100 0.017 0.000 0.788 610 G HN 0.175 nan 8.290 nan 0.000 0.490 611 P HA 0.447 nan 4.420 nan 0.000 0.273 611 P C -0.498 176.732 177.300 -0.118 0.000 1.258 611 P CA -0.237 62.831 63.100 -0.053 0.000 0.802 611 P CB 0.473 32.151 31.700 -0.036 0.000 1.040 612 L N -0.607 120.517 121.223 -0.166 0.000 2.386 612 L HA 0.417 4.757 4.340 -0.000 0.000 0.271 612 L C -0.679 175.970 176.870 -0.368 0.000 0.993 612 L CA -1.185 53.484 54.840 -0.285 0.000 0.819 612 L CB 2.106 44.039 42.059 -0.210 0.000 1.294 612 L HN -0.006 nan 8.230 nan 0.000 0.414 613 V N 1.728 121.228 119.914 -0.689 0.000 2.432 613 V HA 0.138 4.258 4.120 -0.000 0.000 0.275 613 V C 0.333 176.147 176.094 -0.467 0.000 1.043 613 V CA -0.429 61.484 62.300 -0.645 0.000 0.925 613 V CB 1.432 32.657 31.823 -0.996 0.000 0.985 613 V HN 0.741 nan 8.190 nan 0.000 0.466 614 E N 3.783 123.845 120.200 -0.230 0.000 1.936 614 E HA 0.517 4.867 4.350 -0.000 0.000 0.267 614 E C 0.102 176.664 176.600 -0.065 0.000 1.076 614 E CA -0.139 56.181 56.400 -0.132 0.000 0.870 614 E CB 0.455 30.100 29.700 -0.092 0.000 1.093 614 E HN 0.883 nan 8.360 nan 0.000 0.411 615 G N 3.073 111.860 108.800 -0.021 0.000 2.694 615 G HA2 0.249 4.209 3.960 -0.000 0.000 0.290 615 G HA3 0.249 4.209 3.960 -0.000 0.000 0.290 615 G C -0.754 174.146 174.900 -0.001 0.000 1.386 615 G CA -0.718 44.403 45.100 0.035 0.000 0.872 615 G HN 0.556 nan 8.290 nan 0.000 0.475 616 Q N -1.246 118.542 119.800 -0.021 0.000 2.177 616 Q HA 0.729 5.069 4.340 -0.000 0.000 0.183 616 Q C -0.901 175.069 176.000 -0.049 0.000 1.040 616 Q CA -0.642 55.108 55.803 -0.088 0.000 1.089 616 Q CB 1.142 29.820 28.738 -0.099 0.000 1.130 616 Q HN 0.445 nan 8.270 nan 0.000 0.575 617 L N -0.917 120.249 121.223 -0.094 0.000 2.333 617 L HA 0.794 5.134 4.340 -0.000 0.000 0.269 617 L C -0.545 176.310 176.870 -0.024 0.000 1.010 617 L CA -0.117 54.696 54.840 -0.044 0.000 0.818 617 L CB 2.021 44.037 42.059 -0.071 0.000 1.306 617 L HN 0.847 nan 8.230 nan 0.000 0.430 618 G N 1.779 110.606 108.800 0.044 0.000 3.140 618 G HA2 0.507 4.467 3.960 -0.000 0.000 0.271 618 G HA3 0.507 4.467 3.960 -0.000 0.000 0.271 618 G C -1.048 173.914 174.900 0.104 0.000 1.370 618 G CA -0.681 44.456 45.100 0.062 0.000 1.014 618 G HN 0.647 nan 8.290 nan 0.000 0.541 619 E N 0.320 120.585 120.200 0.109 0.000 2.410 619 E HA 0.092 4.442 4.350 -0.000 0.000 0.255 619 E C -0.137 176.528 176.600 0.109 0.000 1.194 619 E CA -0.154 56.320 56.400 0.124 0.000 0.955 619 E CB 0.300 30.067 29.700 0.110 0.000 0.988 619 E HN 0.402 nan 8.360 nan 0.000 0.461 620 N N 1.459 120.215 118.700 0.093 0.000 2.708 620 N HA -0.232 4.508 4.740 -0.000 0.000 0.249 620 N C -0.804 174.747 175.510 0.068 0.000 1.097 620 N CA 1.123 54.211 53.050 0.062 0.000 0.710 620 N CB -1.504 37.014 38.487 0.051 0.000 1.032 620 N HN 0.590 nan 8.380 nan 0.000 0.551 621 N N -0.951 117.792 118.700 0.072 0.000 2.714 621 N HA -0.225 4.515 4.740 -0.000 0.000 0.250 621 N C -0.211 175.463 175.510 0.275 0.000 1.117 621 N CA 1.470 54.563 53.050 0.071 0.000 0.719 621 N CB -1.012 37.180 38.487 -0.493 0.000 1.081 621 N HN 0.803 nan 8.380 nan 0.000 0.557 622 E N 0.892 121.218 120.200 0.210 0.000 2.259 622 E HA 0.158 4.508 4.350 -0.000 0.000 0.281 622 E C -0.159 176.518 176.600 0.129 0.000 1.037 622 E CA -0.383 56.123 56.400 0.178 0.000 0.854 622 E CB 0.436 30.209 29.700 0.122 0.000 1.051 622 E HN 0.256 nan 8.360 nan 0.000 0.409 623 L N 6.311 127.554 121.223 0.033 0.000 2.401 623 L HA 0.243 4.582 4.340 -0.000 0.000 0.283 623 L C 0.544 177.427 176.870 0.022 0.000 1.151 623 L CA -0.488 54.306 54.840 -0.076 0.000 0.942 623 L CB -0.047 41.695 42.059 -0.529 0.000 1.283 623 L HN 0.344 nan 8.230 nan 0.000 0.442 624 R N 3.291 123.825 120.500 0.058 0.000 2.446 624 R HA 0.040 4.380 4.340 -0.000 0.000 0.314 624 R C 0.816 177.180 176.300 0.107 0.000 1.003 624 R CA -0.065 56.080 56.100 0.074 0.000 1.018 624 R CB 0.658 30.987 30.300 0.048 0.000 0.945 624 R HN 0.587 nan 8.270 nan 0.000 0.419 625 L N 1.537 122.839 121.223 0.131 0.000 1.988 625 L HA -0.076 4.264 4.340 -0.000 0.000 0.207 625 L C 1.070 177.988 176.870 0.081 0.000 1.071 625 L CA 1.468 56.391 54.840 0.140 0.000 0.744 625 L CB -0.439 41.709 42.059 0.148 0.000 0.893 625 L HN 0.467 nan 8.230 nan 0.000 0.433 626 T N 1.451 116.046 114.554 0.069 0.000 2.799 626 T HA 0.144 4.494 4.350 -0.000 0.000 0.296 626 T C 0.528 175.258 174.700 0.051 0.000 0.947 626 T CA -0.196 61.936 62.100 0.053 0.000 1.141 626 T CB 0.255 69.153 68.868 0.050 0.000 0.891 626 T HN 0.145 nan 8.240 nan 0.000 0.533 627 R N 3.011 123.542 120.500 0.052 0.000 4.138 627 R HA 0.090 4.430 4.340 -0.000 0.000 0.206 627 R C 0.508 176.871 176.300 0.104 0.000 1.667 627 R CA -0.202 55.940 56.100 0.070 0.000 1.481 627 R CB -0.068 30.275 30.300 0.073 0.000 1.388 627 R HN 0.668 nan 8.270 nan 0.000 0.776 628 D N -0.462 119.984 120.400 0.077 0.000 2.398 628 D HA -0.005 4.635 4.640 -0.000 0.000 0.210 628 D C 0.212 176.554 176.300 0.070 0.000 1.094 628 D CA -0.214 53.825 54.000 0.066 0.000 0.839 628 D CB 0.461 41.288 40.800 0.046 0.000 0.963 628 D HN 0.137 nan 8.370 nan 0.000 0.506 629 A N 1.286 124.160 122.820 0.089 0.000 2.437 629 A HA 0.529 4.849 4.320 -0.000 0.000 0.303 629 A C -0.087 177.576 177.584 0.131 0.000 1.324 629 A CA -0.261 51.830 52.037 0.090 0.000 0.983 629 A CB -0.447 18.594 19.000 0.067 0.000 1.142 629 A HN 0.299 nan 8.150 nan 0.000 0.541 630 I N 1.951 122.566 120.570 0.076 0.000 2.686 630 I HA 0.428 4.598 4.170 -0.000 0.000 0.295 630 I C -0.450 175.675 176.117 0.014 0.000 1.114 630 I CA -0.548 60.765 61.300 0.022 0.000 1.038 630 I CB 2.603 40.562 38.000 -0.069 0.000 1.238 630 I HN 0.845 nan 8.210 nan 0.000 0.420 631 E N 5.765 125.968 120.200 0.005 0.000 2.292 631 E HA 0.584 4.934 4.350 -0.000 0.000 0.272 631 E C -2.947 173.623 176.600 -0.049 0.000 0.881 631 E CA -2.218 54.192 56.400 0.017 0.000 0.754 631 E CB 2.322 32.081 29.700 0.100 0.000 1.201 631 E HN 0.090 nan 8.360 nan 0.000 0.425 632 P HA -0.049 nan 4.420 nan 0.000 0.268 632 P C -0.305 176.915 177.300 -0.133 0.000 1.208 632 P CA -0.374 62.665 63.100 -0.102 0.000 0.777 632 P CB 0.393 32.059 31.700 -0.056 0.000 0.875 633 c N 2.273 120.732 118.600 -0.236 0.000 2.538 633 c HA 0.167 4.737 4.570 -0.000 0.000 0.408 633 c C 0.939 174.989 174.090 -0.066 0.000 1.421 633 c CA 0.520 56.648 56.329 -0.334 0.000 1.642 633 c CB -1.475 40.841 42.510 -0.323 0.000 2.553 633 c HN 0.515 nan 8.230 nan 0.000 0.604 634 T N 2.845 117.472 114.554 0.122 0.000 2.908 634 T HA 0.522 4.872 4.350 -0.000 0.000 0.290 634 T C -0.117 174.731 174.700 0.247 0.000 1.034 634 T CA -0.511 61.708 62.100 0.198 0.000 1.010 634 T CB 1.422 70.447 68.868 0.261 0.000 1.068 634 T HN 0.429 nan 8.240 nan 0.000 0.481 635 V N 1.223 121.237 119.914 0.167 0.000 2.785 635 V HA 0.566 4.686 4.120 -0.000 0.000 0.300 635 V C 1.350 177.531 176.094 0.146 0.000 1.062 635 V CA -0.054 62.331 62.300 0.142 0.000 1.029 635 V CB 0.905 32.782 31.823 0.089 0.000 1.024 635 V HN 1.246 nan 8.190 nan 0.000 0.477 636 G N 1.687 110.561 108.800 0.122 0.000 2.366 636 G HA2 -0.283 3.677 3.960 -0.000 0.000 0.299 636 G HA3 -0.283 3.677 3.960 -0.000 0.000 0.299 636 G C 0.297 175.249 174.900 0.086 0.000 1.020 636 G CA 0.572 45.726 45.100 0.090 0.000 1.026 636 G HN 1.059 nan 8.290 nan 0.000 0.512 637 H N 0.745 119.803 119.070 -0.018 0.000 3.014 637 H HA 0.327 4.883 4.556 -0.000 0.000 0.266 637 H C 0.785 175.994 175.328 -0.199 0.000 1.455 637 H CA -0.361 55.603 56.048 -0.139 0.000 1.402 637 H CB 0.168 29.732 29.762 -0.329 0.000 1.626 637 H HN 0.442 nan 8.280 nan 0.000 0.520 638 R N 3.155 123.471 120.500 -0.307 0.000 2.404 638 R HA 0.448 4.788 4.340 -0.000 0.000 0.291 638 R C -0.147 175.884 176.300 -0.449 0.000 1.025 638 R CA -0.713 55.222 56.100 -0.275 0.000 0.991 638 R CB 1.058 31.371 30.300 0.022 0.000 1.053 638 R HN 0.445 nan 8.270 nan 0.000 0.479 639 R N 2.378 122.563 120.500 -0.525 0.000 2.535 639 R HA 0.257 4.597 4.340 -0.000 0.000 0.274 639 R C -1.623 174.272 176.300 -0.674 0.000 1.090 639 R CA -0.886 54.865 56.100 -0.581 0.000 0.930 639 R CB 1.356 31.347 30.300 -0.515 0.000 1.223 639 R HN 0.552 nan 8.270 nan 0.000 0.441 640 Y N 2.315 122.271 120.300 -0.572 0.000 2.429 640 Y HA 0.631 5.181 4.550 -0.000 0.000 0.342 640 Y C -0.101 175.410 175.900 -0.649 0.000 1.004 640 Y CA -0.640 57.247 58.100 -0.356 0.000 1.075 640 Y CB 1.679 40.005 38.460 -0.223 0.000 1.214 640 Y HN 0.378 nan 8.280 nan 0.000 0.455 641 F N -0.170 120.010 119.950 0.384 0.000 2.578 641 F HA 0.396 4.923 4.527 -0.000 0.000 0.311 641 F C -0.036 176.049 175.800 0.475 0.000 1.094 641 F CA -1.398 56.809 58.000 0.347 0.000 0.923 641 F CB 1.965 41.071 39.000 0.177 0.000 1.230 641 F HN 0.421 nan 8.300 nan 0.000 0.450 642 T N -0.215 114.664 114.554 0.542 0.000 2.928 642 T HA 0.334 4.684 4.350 -0.000 0.000 0.305 642 T C -0.953 173.936 174.700 0.316 0.000 1.035 642 T CA 0.111 62.317 62.100 0.177 0.000 1.145 642 T CB 0.472 69.393 68.868 0.087 0.000 0.963 642 T HN 0.484 nan 8.240 nan 0.000 0.545 643 F N 2.650 122.579 119.950 -0.035 0.000 3.055 643 F HA 0.506 5.033 4.527 -0.000 0.000 0.358 643 F C 0.538 176.360 175.800 0.036 0.000 1.262 643 F CA 0.200 58.267 58.000 0.113 0.000 1.172 643 F CB 0.657 39.796 39.000 0.231 0.000 1.503 643 F HN 1.259 nan 8.300 nan 0.000 0.621 644 G N 3.730 112.315 108.800 -0.358 0.000 2.574 644 G HA2 -0.214 3.746 3.960 -0.000 0.000 0.286 644 G HA3 -0.214 3.746 3.960 -0.000 0.000 0.286 644 G C 0.986 175.722 174.900 -0.274 0.000 1.212 644 G CA 0.147 45.011 45.100 -0.394 0.000 0.979 644 G HN 1.716 nan 8.290 nan 0.000 0.557 645 G N 0.687 109.371 108.800 -0.194 0.000 3.181 645 G HA2 0.603 4.563 3.960 -0.000 0.000 0.219 645 G HA3 0.603 4.563 3.960 -0.000 0.000 0.219 645 G C 0.703 175.535 174.900 -0.114 0.000 1.182 645 G CA 1.497 46.516 45.100 -0.134 0.000 0.791 645 G HN 1.784 nan 8.290 nan 0.000 0.537 646 G N -1.132 107.585 108.800 -0.139 0.000 2.896 646 G HA2 0.568 4.528 3.960 -0.000 0.000 0.247 646 G HA3 0.568 4.528 3.960 -0.000 0.000 0.247 646 G C -1.648 173.130 174.900 -0.203 0.000 1.187 646 G CA -0.849 44.200 45.100 -0.085 0.000 0.837 646 G HN 0.029 nan 8.290 nan 0.000 0.559 647 Y N -2.049 118.393 120.300 0.236 0.000 2.633 647 Y HA 0.703 5.253 4.550 -0.000 0.000 0.339 647 Y C -0.348 175.769 175.900 0.362 0.000 1.045 647 Y CA -0.904 57.381 58.100 0.308 0.000 1.098 647 Y CB 2.523 41.126 38.460 0.238 0.000 1.296 647 Y HN 0.418 nan 8.280 nan 0.000 0.494 648 V N 1.836 122.069 119.914 0.532 0.000 2.577 648 V HA 0.436 4.556 4.120 -0.000 0.000 0.303 648 V C -1.986 174.261 176.094 0.255 0.000 1.042 648 V CA -0.679 61.824 62.300 0.339 0.000 0.872 648 V CB 1.252 33.230 31.823 0.259 0.000 0.998 648 V HN 0.651 nan 8.190 nan 0.000 0.423 649 Y N 6.861 126.985 120.300 -0.292 0.000 2.320 649 Y HA 0.692 5.242 4.550 -0.000 0.000 0.334 649 Y C -1.197 174.414 175.900 -0.481 0.000 1.055 649 Y CA -1.352 56.431 58.100 -0.529 0.000 1.143 649 Y CB 1.549 39.454 38.460 -0.925 0.000 1.193 649 Y HN 0.609 nan 8.280 nan 0.000 0.477 650 F N 4.980 124.355 119.950 -0.958 0.000 2.434 650 F HA 0.292 4.819 4.527 -0.000 0.000 0.355 650 F C -0.213 175.017 175.800 -0.949 0.000 1.115 650 F CA -0.796 56.786 58.000 -0.696 0.000 1.010 650 F CB 1.236 40.123 39.000 -0.188 0.000 1.234 650 F HN 0.497 nan 8.300 nan 0.000 0.439 651 E N 3.796 123.533 120.200 -0.772 0.000 2.174 651 E HA 0.198 4.548 4.350 -0.000 0.000 0.282 651 E C -0.320 176.201 176.600 -0.131 0.000 0.992 651 E CA -0.228 55.881 56.400 -0.485 0.000 0.803 651 E CB 0.631 30.149 29.700 -0.303 0.000 1.090 651 E HN 0.482 nan 8.360 nan 0.000 0.396 652 E N 3.591 123.768 120.200 -0.037 0.000 2.252 652 E HA -0.274 4.076 4.350 -0.000 0.000 0.218 652 E C -0.759 176.012 176.600 0.285 0.000 1.253 652 E CA 1.073 57.556 56.400 0.137 0.000 0.705 652 E CB -1.826 27.951 29.700 0.128 0.000 1.172 652 E HN 0.820 nan 8.360 nan 0.000 0.369 653 Y N -3.920 116.525 120.300 0.241 0.000 3.978 653 Y HA -0.322 4.228 4.550 -0.000 0.000 0.219 653 Y C 0.684 176.766 175.900 0.303 0.000 1.153 653 Y CA 0.995 59.242 58.100 0.245 0.000 1.718 653 Y CB -1.588 36.927 38.460 0.090 0.000 1.541 653 Y HN 0.493 nan 8.280 nan 0.000 0.640 654 A N -0.758 122.272 122.820 0.349 0.000 2.374 654 A HA 0.596 4.916 4.320 -0.000 0.000 0.305 654 A C -0.794 176.677 177.584 -0.188 0.000 1.053 654 A CA -0.860 51.300 52.037 0.205 0.000 0.726 654 A CB 0.616 19.678 19.000 0.104 0.000 1.229 654 A HN 0.265 nan 8.150 nan 0.000 0.431 655 Y N 2.413 122.298 120.300 -0.692 0.000 2.811 655 Y HA 0.136 4.686 4.550 -0.000 0.000 0.334 655 Y C 1.070 176.602 175.900 -0.612 0.000 1.247 655 Y CA 1.749 59.024 58.100 -1.376 0.000 1.526 655 Y CB 0.757 38.684 38.460 -0.890 0.000 1.284 655 Y HN 0.617 nan 8.280 nan 0.000 0.586 656 S N 3.514 118.469 115.700 -1.243 0.000 2.811 656 S HA 0.157 4.627 4.470 -0.000 0.000 0.237 656 S C -0.862 173.423 174.600 -0.525 0.000 1.038 656 S CA 0.522 58.393 58.200 -0.548 0.000 0.881 656 S CB 0.166 63.272 63.200 -0.157 0.000 0.815 656 S HN 0.894 nan 8.310 nan 0.000 0.582 657 H N -0.349 118.096 119.070 -1.041 0.000 2.901 657 H HA 0.382 4.938 4.556 -0.000 0.000 0.267 657 H C -1.757 173.470 175.328 -0.168 0.000 1.434 657 H CA -0.817 54.955 56.048 -0.460 0.000 1.215 657 H CB 0.100 29.804 29.762 -0.097 0.000 1.825 657 H HN 0.111 nan 8.280 nan 0.000 0.470 658 Q N 0.298 120.228 119.800 0.218 0.000 2.207 658 Q HA 0.789 5.129 4.340 -0.000 0.000 0.237 658 Q C -0.250 175.934 176.000 0.306 0.000 0.998 658 Q CA -0.963 55.009 55.803 0.282 0.000 0.951 658 Q CB 2.446 31.424 28.738 0.401 0.000 1.213 658 Q HN 0.562 nan 8.270 nan 0.000 0.499 659 L N -3.801 117.604 121.223 0.303 0.000 3.020 659 L HA 0.601 4.941 4.340 -0.000 0.000 0.273 659 L C -0.974 176.054 176.870 0.264 0.000 1.018 659 L CA -1.073 53.929 54.840 0.271 0.000 0.950 659 L CB 1.630 43.854 42.059 0.274 0.000 1.510 659 L HN 0.523 nan 8.230 nan 0.000 0.404 660 S N -0.759 115.065 115.700 0.206 0.000 2.713 660 S HA 0.527 4.997 4.470 -0.000 0.000 0.283 660 S C 0.884 175.633 174.600 0.249 0.000 1.161 660 S CA -0.603 57.708 58.200 0.186 0.000 0.999 660 S CB 1.645 64.913 63.200 0.112 0.000 1.039 660 S HN 0.794 nan 8.310 nan 0.000 0.548 661 R N 1.322 121.974 120.500 0.253 0.000 2.152 661 R HA -0.074 4.266 4.340 -0.000 0.000 0.232 661 R C 2.303 178.677 176.300 0.124 0.000 1.117 661 R CA 1.255 57.531 56.100 0.293 0.000 0.981 661 R CB -0.747 29.705 30.300 0.253 0.000 0.870 661 R HN 0.681 nan 8.270 nan 0.000 0.451 662 A N 2.045 124.920 122.820 0.091 0.000 1.908 662 A HA -0.212 4.108 4.320 -0.000 0.000 0.218 662 A C 1.486 179.085 177.584 0.024 0.000 1.181 662 A CA 1.862 53.928 52.037 0.047 0.000 0.627 662 A CB -0.373 18.654 19.000 0.044 0.000 0.818 662 A HN 0.195 nan 8.150 nan 0.000 0.445 663 D N -0.310 120.112 120.400 0.036 0.000 2.263 663 D HA -0.025 4.615 4.640 -0.000 0.000 0.208 663 D C 0.596 176.866 176.300 -0.051 0.000 0.971 663 D CA 0.746 54.750 54.000 0.006 0.000 0.867 663 D CB -0.163 40.660 40.800 0.038 0.000 0.929 663 D HN 0.483 nan 8.370 nan 0.000 0.492 664 I N 1.522 122.049 120.570 -0.072 0.000 2.359 664 I HA 0.057 4.227 4.170 -0.000 0.000 0.294 664 I C 0.537 176.587 176.117 -0.111 0.000 0.987 664 I CA -0.718 60.489 61.300 -0.155 0.000 1.225 664 I CB 1.643 39.476 38.000 -0.278 0.000 1.366 664 I HN -0.192 nan 8.210 nan 0.000 0.466 665 T N 1.690 116.172 114.554 -0.121 0.000 2.902 665 T HA 0.107 4.457 4.350 -0.000 0.000 0.301 665 T C 0.164 174.808 174.700 -0.094 0.000 1.012 665 T CA -0.422 61.623 62.100 -0.092 0.000 1.151 665 T CB 0.198 69.011 68.868 -0.092 0.000 0.946 665 T HN 0.562 nan 8.240 nan 0.000 0.542 666 T N 3.763 118.277 114.554 -0.066 0.000 2.771 666 T HA 0.548 4.898 4.350 -0.000 0.000 0.281 666 T C 0.487 175.143 174.700 -0.073 0.000 0.982 666 T CA -0.787 61.274 62.100 -0.065 0.000 0.978 666 T CB 1.015 69.862 68.868 -0.035 0.000 0.930 666 T HN 0.858 nan 8.240 nan 0.000 0.447 667 V N 1.159 121.016 119.914 -0.095 0.000 2.837 667 V HA 0.872 4.992 4.120 -0.000 0.000 0.310 667 V C 0.190 176.191 176.094 -0.154 0.000 1.059 667 V CA -0.820 61.417 62.300 -0.105 0.000 1.004 667 V CB 1.785 33.546 31.823 -0.103 0.000 1.045 667 V HN 0.763 nan 8.190 nan 0.000 0.465 668 S N 0.710 116.309 115.700 -0.169 0.000 2.482 668 S HA 0.521 4.991 4.470 -0.000 0.000 0.303 668 S C 0.856 175.275 174.600 -0.300 0.000 1.091 668 S CA 0.103 58.124 58.200 -0.299 0.000 1.057 668 S CB 1.647 64.735 63.200 -0.187 0.000 1.031 668 S HN 1.275 nan 8.310 nan 0.000 0.485 669 T N 1.837 116.090 114.554 -0.503 0.000 3.081 669 T HA 0.319 4.669 4.350 -0.000 0.000 0.250 669 T C 0.210 174.854 174.700 -0.093 0.000 1.100 669 T CA 0.004 61.938 62.100 -0.277 0.000 1.038 669 T CB -0.432 68.288 68.868 -0.246 0.000 0.962 669 T HN 0.379 nan 8.240 nan 0.000 0.516 670 F N 1.658 121.611 119.950 0.006 0.000 2.389 670 F HA 0.479 5.006 4.527 -0.000 0.000 0.337 670 F C 0.773 176.580 175.800 0.012 0.000 1.112 670 F CA -2.870 55.138 58.000 0.014 0.000 1.192 670 F CB 0.262 39.273 39.000 0.019 0.000 1.185 670 F HN 0.007 nan 8.300 nan 0.000 0.552 671 I N 3.373 124.078 120.570 0.226 0.000 2.307 671 I HA 0.124 4.294 4.170 -0.000 0.000 0.287 671 I C 0.071 176.253 176.117 0.108 0.000 1.054 671 I CA -0.738 60.638 61.300 0.127 0.000 1.218 671 I CB 0.036 38.090 38.000 0.090 0.000 1.398 671 I HN 0.440 nan 8.210 nan 0.000 0.475 672 D N 5.487 125.945 120.400 0.097 0.000 2.390 672 D HA 0.194 4.834 4.640 -0.000 0.000 0.236 672 D C -0.190 176.139 176.300 0.048 0.000 1.189 672 D CA 0.320 54.363 54.000 0.071 0.000 0.887 672 D CB 1.362 42.199 40.800 0.062 0.000 1.198 672 D HN 0.218 nan 8.370 nan 0.000 0.444 673 L N 2.026 123.268 121.223 0.032 0.000 2.752 673 L HA 0.184 4.524 4.340 -0.000 0.000 0.257 673 L C -1.467 175.410 176.870 0.012 0.000 0.968 673 L CA -0.562 54.291 54.840 0.023 0.000 0.953 673 L CB 1.111 43.185 42.059 0.025 0.000 1.286 673 L HN 0.173 nan 8.230 nan 0.000 0.443 674 N N 5.770 124.476 118.700 0.011 0.000 2.462 674 N HA 0.523 5.263 4.740 -0.000 0.000 0.242 674 N C -1.226 174.285 175.510 0.001 0.000 1.010 674 N CA -0.093 52.960 53.050 0.005 0.000 0.939 674 N CB 0.589 39.080 38.487 0.007 0.000 1.127 674 N HN 0.633 nan 8.380 nan 0.000 0.509 675 I N 1.893 122.460 120.570 -0.005 0.000 2.474 675 I HA 0.342 4.512 4.170 -0.000 0.000 0.294 675 I C 0.050 176.161 176.117 -0.009 0.000 1.005 675 I CA -0.777 60.518 61.300 -0.008 0.000 1.113 675 I CB 2.079 40.071 38.000 -0.015 0.000 1.289 675 I HN 0.496 nan 8.210 nan 0.000 0.436 676 T N 3.449 117.998 114.554 -0.008 0.000 2.876 676 T HA 0.611 4.961 4.350 -0.000 0.000 0.289 676 T C -0.248 174.448 174.700 -0.007 0.000 1.014 676 T CA -0.947 61.149 62.100 -0.007 0.000 0.986 676 T CB 1.493 70.358 68.868 -0.006 0.000 1.021 676 T HN 0.386 nan 8.240 nan 0.000 0.458 677 M N 2.202 121.798 119.600 -0.006 0.000 2.207 677 M HA 0.264 4.744 4.480 -0.000 0.000 0.311 677 M C 0.049 176.349 176.300 -0.000 0.000 1.127 677 M CA -0.770 54.528 55.300 -0.004 0.000 1.181 677 M CB 0.189 32.787 32.600 -0.002 0.000 1.409 677 M HN 0.553 nan 8.290 nan 0.000 0.461 678 L N 3.339 124.565 121.223 0.005 0.000 2.369 678 L HA 0.121 4.461 4.340 -0.000 0.000 0.279 678 L C 0.427 177.305 176.870 0.014 0.000 1.108 678 L CA -0.158 54.687 54.840 0.009 0.000 0.852 678 L CB 0.103 42.172 42.059 0.016 0.000 1.169 678 L HN 0.568 nan 8.230 nan 0.000 0.452 679 E N 3.876 124.081 120.200 0.007 0.000 2.459 679 E HA -0.043 4.307 4.350 -0.000 0.000 0.264 679 E C -0.806 175.814 176.600 0.034 0.000 1.055 679 E CA -0.038 56.370 56.400 0.012 0.000 0.957 679 E CB 0.242 29.942 29.700 0.000 0.000 0.952 679 E HN 0.563 nan 8.360 nan 0.000 0.448 680 D N 0.827 121.249 120.400 0.037 0.000 2.368 680 D HA 0.121 4.761 4.640 -0.000 0.000 0.240 680 D C 0.104 176.456 176.300 0.087 0.000 1.169 680 D CA 0.528 54.559 54.000 0.052 0.000 0.906 680 D CB 0.571 41.387 40.800 0.027 0.000 1.187 680 D HN 0.476 nan 8.370 nan 0.000 0.435 681 H N 0.243 119.261 119.070 -0.087 0.000 3.123 681 H HA 0.136 4.692 4.556 -0.000 0.000 0.346 681 H C -1.552 173.576 175.328 -0.333 0.000 1.138 681 H CA -0.484 55.430 56.048 -0.223 0.000 1.273 681 H CB 1.903 31.491 29.762 -0.290 0.000 1.926 681 H HN 0.448 nan 8.280 nan 0.000 0.524 682 E N 4.357 124.024 120.200 -0.889 0.000 2.179 682 E HA 0.308 4.658 4.350 -0.000 0.000 0.275 682 E C -1.299 174.767 176.600 -0.889 0.000 0.945 682 E CA -0.830 55.194 56.400 -0.625 0.000 0.792 682 E CB 1.121 30.638 29.700 -0.305 0.000 1.125 682 E HN 0.272 nan 8.360 nan 0.000 0.397 683 F N 4.205 124.036 119.950 -0.197 0.000 2.361 683 F HA 0.224 4.751 4.527 -0.000 0.000 0.364 683 F C 0.167 175.926 175.800 -0.067 0.000 1.117 683 F CA -0.916 57.019 58.000 -0.109 0.000 1.071 683 F CB 1.278 40.264 39.000 -0.024 0.000 1.188 683 F HN 0.187 nan 8.300 nan 0.000 0.464 684 V N 1.304 121.254 119.914 0.059 0.000 2.785 684 V HA 0.569 4.689 4.120 -0.000 0.000 0.300 684 V C -2.273 173.856 176.094 0.058 0.000 1.062 684 V CA -2.452 59.869 62.300 0.034 0.000 1.029 684 V CB 0.392 32.212 31.823 -0.005 0.000 1.024 684 V HN 0.492 nan 8.190 nan 0.000 0.477 685 P HA 0.299 nan 4.420 nan 0.000 0.257 685 P C -0.930 176.389 177.300 0.033 0.000 1.189 685 P CA 0.293 63.416 63.100 0.038 0.000 0.780 685 P CB 0.109 31.827 31.700 0.031 0.000 0.772 686 L N 3.864 125.107 121.223 0.035 0.000 2.406 686 L HA 0.398 4.738 4.340 -0.000 0.000 0.270 686 L C -0.595 176.281 176.870 0.011 0.000 0.982 686 L CA -0.220 54.633 54.840 0.022 0.000 0.843 686 L CB 1.420 43.498 42.059 0.033 0.000 1.225 686 L HN 0.277 nan 8.230 nan 0.000 0.412 687 E N 3.338 123.536 120.200 -0.003 0.000 2.248 687 E HA 0.372 4.722 4.350 -0.000 0.000 0.267 687 E C 0.331 176.890 176.600 -0.069 0.000 0.877 687 E CA -0.838 55.555 56.400 -0.013 0.000 0.759 687 E CB 2.423 32.130 29.700 0.010 0.000 1.182 687 E HN 0.412 nan 8.360 nan 0.000 0.418 688 V N 1.649 121.496 119.914 -0.111 0.000 2.244 688 V HA -0.162 3.958 4.120 -0.000 0.000 0.244 688 V C 0.126 175.912 176.094 -0.513 0.000 1.042 688 V CA 1.362 63.465 62.300 -0.329 0.000 1.006 688 V CB -0.431 31.198 31.823 -0.324 0.000 0.641 688 V HN 0.560 nan 8.190 nan 0.000 0.446 689 Y N -0.125 120.184 120.300 0.015 0.000 2.361 689 Y HA 0.502 5.052 4.550 -0.000 0.000 0.337 689 Y C 0.522 176.425 175.900 0.004 0.000 0.965 689 Y CA -0.986 57.123 58.100 0.014 0.000 1.091 689 Y CB 1.305 39.772 38.460 0.011 0.000 1.182 689 Y HN 0.085 nan 8.280 nan 0.000 0.450 690 T N -0.872 113.770 114.554 0.148 0.000 2.898 690 T HA 0.167 4.516 4.350 -0.000 0.000 0.301 690 T C 1.200 175.891 174.700 -0.016 0.000 1.049 690 T CA -0.730 61.406 62.100 0.061 0.000 1.095 690 T CB 0.904 69.852 68.868 0.133 0.000 0.976 690 T HN 0.889 nan 8.240 nan 0.000 0.539 691 R N 1.199 121.588 120.500 -0.185 0.000 2.200 691 R HA -0.165 4.175 4.340 -0.000 0.000 0.234 691 R C 1.566 177.741 176.300 -0.208 0.000 1.127 691 R CA 1.579 57.551 56.100 -0.213 0.000 0.989 691 R CB -0.820 29.320 30.300 -0.268 0.000 0.869 691 R HN 0.773 nan 8.270 nan 0.000 0.459 692 H N 1.337 120.431 119.070 0.041 0.000 2.395 692 H HA 0.017 4.573 4.556 -0.000 0.000 0.299 692 H C 1.559 176.909 175.328 0.037 0.000 1.070 692 H CA 1.330 57.398 56.048 0.033 0.000 1.356 692 H CB -0.087 29.693 29.762 0.031 0.000 1.401 692 H HN 0.491 nan 8.280 nan 0.000 0.524 693 E N 0.322 120.615 120.200 0.155 0.000 2.204 693 E HA -0.108 4.242 4.350 -0.000 0.000 0.195 693 E C 1.853 178.480 176.600 0.045 0.000 0.990 693 E CA 0.662 57.133 56.400 0.118 0.000 0.821 693 E CB 0.054 29.865 29.700 0.185 0.000 0.750 693 E HN 0.262 nan 8.360 nan 0.000 0.477 694 I N 1.456 122.038 120.570 0.020 0.000 2.235 694 I HA -0.182 3.988 4.170 -0.000 0.000 0.241 694 I C 2.689 178.800 176.117 -0.010 0.000 1.085 694 I CA 1.710 62.995 61.300 -0.026 0.000 1.378 694 I CB -0.582 37.399 38.000 -0.032 0.000 1.076 694 I HN -0.032 nan 8.210 nan 0.000 0.415 695 K N -0.249 120.158 120.400 0.012 0.000 2.360 695 K HA -0.221 4.099 4.320 -0.000 0.000 0.201 695 K C 1.697 178.316 176.600 0.030 0.000 1.046 695 K CA 2.031 58.333 56.287 0.026 0.000 0.940 695 K CB -1.180 31.350 32.500 0.050 0.000 0.748 695 K HN 0.522 nan 8.250 nan 0.000 0.465 696 D N -0.433 119.987 120.400 0.032 0.000 2.301 696 D HA -0.078 4.562 4.640 -0.000 0.000 0.206 696 D C 2.044 178.348 176.300 0.006 0.000 0.979 696 D CA 1.433 55.449 54.000 0.027 0.000 0.874 696 D CB 0.091 40.916 40.800 0.041 0.000 0.968 696 D HN 0.427 nan 8.370 nan 0.000 0.510 697 S N -0.713 114.979 115.700 -0.014 0.000 2.469 697 S HA 0.014 4.484 4.470 -0.000 0.000 0.238 697 S C 1.511 176.096 174.600 -0.025 0.000 0.998 697 S CA 0.475 58.653 58.200 -0.037 0.000 0.957 697 S CB -0.837 62.316 63.200 -0.078 0.000 0.764 697 S HN 0.246 nan 8.310 nan 0.000 0.514 698 G N 1.831 110.625 108.800 -0.011 0.000 2.389 698 G HA2 0.430 4.390 3.960 -0.000 0.000 0.287 698 G HA3 0.430 4.390 3.960 -0.000 0.000 0.287 698 G C 0.512 175.415 174.900 0.004 0.000 1.126 698 G CA -0.484 44.614 45.100 -0.002 0.000 1.073 698 G HN 0.310 nan 8.290 nan 0.000 0.429 699 L N 3.356 124.578 121.223 -0.001 0.000 2.043 699 L HA 0.068 4.408 4.340 -0.000 0.000 0.212 699 L C 0.826 177.703 176.870 0.011 0.000 1.075 699 L CA 1.568 56.410 54.840 0.002 0.000 0.752 699 L CB -0.256 41.801 42.059 -0.004 0.000 0.891 699 L HN 0.416 nan 8.230 nan 0.000 0.432 700 L N 0.268 121.502 121.223 0.019 0.000 2.372 700 L HA 0.384 4.724 4.340 -0.000 0.000 0.274 700 L C -1.222 175.680 176.870 0.053 0.000 0.988 700 L CA -0.504 54.355 54.840 0.032 0.000 0.833 700 L CB 1.024 43.104 42.059 0.034 0.000 1.236 700 L HN 0.034 nan 8.230 nan 0.000 0.410 701 D N 2.406 122.836 120.400 0.051 0.000 2.365 701 D HA 0.036 4.676 4.640 -0.000 0.000 0.237 701 D C 0.825 177.180 176.300 0.092 0.000 1.190 701 D CA 0.024 54.064 54.000 0.067 0.000 0.867 701 D CB 0.566 41.390 40.800 0.040 0.000 1.050 701 D HN 0.493 nan 8.370 nan 0.000 0.491 702 Y N 3.150 123.453 120.300 0.005 0.000 2.193 702 Y HA -0.309 4.241 4.550 -0.000 0.000 0.285 702 Y C 2.122 178.028 175.900 0.010 0.000 1.166 702 Y CA 2.500 60.604 58.100 0.007 0.000 1.181 702 Y CB -0.490 37.975 38.460 0.008 0.000 0.976 702 Y HN 0.497 nan 8.280 nan 0.000 0.520 703 T N -1.850 112.671 114.554 -0.055 0.000 2.701 703 T HA -0.212 4.138 4.350 -0.000 0.000 0.263 703 T C 1.858 176.484 174.700 -0.123 0.000 1.040 703 T CA 1.273 63.295 62.100 -0.131 0.000 1.147 703 T CB -0.699 68.157 68.868 -0.019 0.000 0.865 703 T HN 0.433 nan 8.240 nan 0.000 0.426 704 E N 1.483 121.649 120.200 -0.056 0.000 2.049 704 E HA -0.156 4.194 4.350 -0.000 0.000 0.198 704 E C 2.332 178.898 176.600 -0.057 0.000 1.007 704 E CA 1.579 57.955 56.400 -0.040 0.000 0.809 704 E CB -0.602 29.092 29.700 -0.011 0.000 0.749 704 E HN 0.440 nan 8.360 nan 0.000 0.450 705 V N 1.956 121.833 119.914 -0.063 0.000 2.219 705 V HA -0.302 3.817 4.120 -0.000 0.000 0.248 705 V C 2.804 178.840 176.094 -0.097 0.000 1.053 705 V CA 2.282 64.548 62.300 -0.057 0.000 1.009 705 V CB -0.803 30.999 31.823 -0.035 0.000 0.636 705 V HN 0.299 nan 8.190 nan 0.000 0.445 706 Q N -0.338 119.331 119.800 -0.217 0.000 2.096 706 Q HA -0.272 4.068 4.340 -0.000 0.000 0.208 706 Q C 2.372 178.298 176.000 -0.123 0.000 0.993 706 Q CA 2.224 57.891 55.803 -0.228 0.000 0.862 706 Q CB -0.578 27.890 28.738 -0.450 0.000 0.915 706 Q HN 0.629 nan 8.270 nan 0.000 0.416 707 R N 0.490 120.922 120.500 -0.113 0.000 2.097 707 R HA -0.181 4.159 4.340 -0.000 0.000 0.236 707 R C 2.374 178.656 176.300 -0.029 0.000 1.135 707 R CA 1.906 57.969 56.100 -0.062 0.000 0.934 707 R CB -0.222 30.046 30.300 -0.053 0.000 0.846 707 R HN 0.129 nan 8.270 nan 0.000 0.431 708 R N 0.064 120.553 120.500 -0.020 0.000 2.083 708 R HA -0.151 4.189 4.340 -0.000 0.000 0.237 708 R C 1.940 178.273 176.300 0.054 0.000 1.137 708 R CA 2.121 58.229 56.100 0.014 0.000 0.951 708 R CB -0.284 30.027 30.300 0.019 0.000 0.851 708 R HN 0.303 nan 8.270 nan 0.000 0.434 709 N N 0.888 119.612 118.700 0.040 0.000 2.036 709 N HA -0.203 4.537 4.740 -0.000 0.000 0.195 709 N C 1.575 177.134 175.510 0.082 0.000 1.037 709 N CA 1.701 54.792 53.050 0.068 0.000 0.855 709 N CB -0.303 38.191 38.487 0.013 0.000 1.033 709 N HN 0.416 nan 8.380 nan 0.000 0.423 710 Q N -0.338 119.480 119.800 0.031 0.000 2.488 710 Q HA 0.098 4.438 4.340 -0.000 0.000 0.211 710 Q C 1.363 177.392 176.000 0.049 0.000 0.967 710 Q CA 0.290 56.111 55.803 0.030 0.000 0.926 710 Q CB 0.161 28.896 28.738 -0.005 0.000 0.992 710 Q HN 0.401 nan 8.270 nan 0.000 0.506 711 L N -0.368 120.890 121.223 0.058 0.000 2.567 711 L HA -0.023 4.317 4.340 -0.000 0.000 0.225 711 L C 2.239 179.163 176.870 0.091 0.000 1.119 711 L CA 0.026 54.891 54.840 0.042 0.000 0.871 711 L CB -0.215 41.845 42.059 0.001 0.000 1.036 711 L HN 0.347 nan 8.230 nan 0.000 0.459 712 H N 1.186 120.303 119.070 0.078 0.000 2.289 712 H HA -0.239 4.317 4.556 -0.000 0.000 0.296 712 H C 1.161 176.602 175.328 0.188 0.000 1.091 712 H CA 2.265 58.425 56.048 0.187 0.000 1.274 712 H CB 0.162 30.011 29.762 0.144 0.000 1.364 712 H HN 0.301 nan 8.280 nan 0.000 0.490 713 D N -0.048 120.544 120.400 0.320 0.000 2.351 713 D HA -0.061 4.579 4.640 -0.000 0.000 0.216 713 D C 2.227 178.596 176.300 0.115 0.000 0.968 713 D CA 0.355 54.487 54.000 0.219 0.000 0.899 713 D CB -0.040 40.835 40.800 0.124 0.000 0.907 713 D HN 0.370 nan 8.370 nan 0.000 0.514 714 L N -0.722 120.535 121.223 0.056 0.000 2.408 714 L HA 0.185 4.525 4.340 -0.000 0.000 0.215 714 L C 1.906 178.709 176.870 -0.112 0.000 1.081 714 L CA 0.290 55.119 54.840 -0.019 0.000 0.840 714 L CB 0.296 42.339 42.059 -0.027 0.000 1.002 714 L HN -0.173 nan 8.230 nan 0.000 0.468 715 R N -1.250 119.115 120.500 -0.225 0.000 2.334 715 R HA 0.153 4.493 4.340 -0.000 0.000 0.216 715 R C 0.485 176.242 176.300 -0.905 0.000 0.905 715 R CA 0.429 56.181 56.100 -0.579 0.000 1.064 715 R CB 0.463 30.297 30.300 -0.777 0.000 1.046 715 R HN 0.232 nan 8.270 nan 0.000 0.508 716 F N -1.557 118.351 119.950 -0.070 0.000 2.975 716 F HA 0.408 4.935 4.527 -0.000 0.000 0.366 716 F C 0.261 176.065 175.800 0.007 0.000 1.071 716 F CA -0.555 57.416 58.000 -0.048 0.000 1.102 716 F CB 1.095 40.040 39.000 -0.092 0.000 1.176 716 F HN -0.131 nan 8.300 nan 0.000 0.545 717 A N -0.287 122.619 122.820 0.143 0.000 2.602 717 A HA 0.601 4.921 4.320 -0.000 0.000 0.290 717 A C -2.002 175.615 177.584 0.054 0.000 1.114 717 A CA -0.517 51.583 52.037 0.104 0.000 0.683 717 A CB 1.322 20.397 19.000 0.126 0.000 1.281 717 A HN -0.065 nan 8.150 nan 0.000 0.416 718 D N 0.574 121.000 120.400 0.042 0.000 2.344 718 D HA 0.456 5.096 4.640 -0.000 0.000 0.239 718 D C 0.550 176.866 176.300 0.027 0.000 1.064 718 D CA -0.374 53.642 54.000 0.026 0.000 0.829 718 D CB 0.763 41.575 40.800 0.019 0.000 1.129 718 D HN 0.530 nan 8.370 nan 0.000 0.506 719 I N 0.043 120.627 120.570 0.024 0.000 3.812 719 I HA 0.339 4.509 4.170 -0.000 0.000 0.319 719 I C -0.371 175.757 176.117 0.017 0.000 1.353 719 I CA -0.088 61.225 61.300 0.022 0.000 1.170 719 I CB 0.249 38.262 38.000 0.022 0.000 1.057 719 I HN 0.059 nan 8.210 nan 0.000 0.411 720 D N 0.350 120.761 120.400 0.017 0.000 2.403 720 D HA 0.079 4.719 4.640 -0.000 0.000 0.280 720 D C 0.657 176.970 176.300 0.021 0.000 1.091 720 D CA 0.441 54.450 54.000 0.016 0.000 0.884 720 D CB 0.399 41.206 40.800 0.012 0.000 1.427 720 D HN 0.150 nan 8.370 nan 0.000 0.504 721 T N 1.763 116.331 114.554 0.023 0.000 2.928 721 T HA 0.268 4.618 4.350 -0.000 0.000 0.305 721 T C 0.293 175.013 174.700 0.033 0.000 1.035 721 T CA 0.210 62.327 62.100 0.029 0.000 1.145 721 T CB 1.288 70.169 68.868 0.023 0.000 0.963 721 T HN -0.255 nan 8.240 nan 0.000 0.545 722 V N 4.666 124.612 119.914 0.053 0.000 2.769 722 V HA 0.510 4.630 4.120 -0.000 0.000 0.312 722 V C -0.233 175.910 176.094 0.081 0.000 1.061 722 V CA -1.043 61.296 62.300 0.065 0.000 0.931 722 V CB 2.016 33.886 31.823 0.078 0.000 1.010 722 V HN 0.667 nan 8.190 nan 0.000 0.433 723 I N 4.157 124.752 120.570 0.041 0.000 2.460 723 I HA 0.473 4.643 4.170 -0.000 0.000 0.298 723 I C 0.609 176.732 176.117 0.010 0.000 0.989 723 I CA -0.170 61.100 61.300 -0.050 0.000 1.173 723 I CB 1.507 39.465 38.000 -0.070 0.000 1.338 723 I HN 0.925 nan 8.210 nan 0.000 0.456 724 H N 2.911 121.981 119.070 -0.001 0.000 3.540 724 H HA 0.433 4.989 4.556 -0.000 0.000 0.259 724 H C 0.467 175.794 175.328 -0.001 0.000 1.197 724 H CA -0.303 55.745 56.048 -0.001 0.000 1.136 724 H CB 0.076 29.838 29.762 -0.000 0.000 1.605 724 H HN 0.510 nan 8.280 nan 0.000 0.657 725 A N 0.000 122.695 122.820 -0.208 0.000 2.254 725 A HA 0.000 4.320 4.320 -0.000 0.000 0.244 725 A CA 0.000 51.973 52.037 -0.107 0.000 0.836 725 A CB 0.000 18.917 19.000 -0.139 0.000 0.831 725 A HN 0.000 nan 8.150 nan 0.000 0.486