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 1gki_1_E DATA FIRST_RESID 76 DATA SEQUENCE QGEFGGAPFK RFLRGTRIVS GGKLKRMTRE KAKQVTVAGV PMPRDAEPRH DATA SEQUENCE LLVNGATGTG KSVLLRELAY TGLLRGDRMV IVDPNGDMLS KFGRDKDIIL DATA SEQUENCE NPYDQRTKGW SFFNEIRNDY DWQRYALSVV PRGKTDEAEE WASYGRLLLR DATA SEQUENCE ETAKKLALIG TPSMRELFHW TTIATFDDLR GFLEGTLAES LFAGSNEASK DATA SEQUENCE ALTSARFVLS DKLPEHVTMP DGDFSIRSWL EDPNGGNLFI TWREDMGPAL DATA SEQUENCE RPLISAWVDV VCTSILSLPE EPKRRLWLFI DELASLEKLA SLADALTKGR DATA SEQUENCE KAGLRVVAGL QSTSQLDDVY GVKEAQTLRA SFRSLVVLGG SRTDPKTNED DATA SEQUENCE MSLSLGEHEV ERDXXXXXXX XXXXXXXXLE RVRERVVMPA EIANLPDLTA DATA SEQUENCE YVGFAGNRPI AKVPLEIKQF ANRQPAFVE 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 76 Q HA 0.000 nan 4.340 nan 0.000 0.214 76 Q C 0.000 176.035 176.000 0.058 0.000 1.003 76 Q CA 0.000 55.848 55.803 0.075 0.000 1.022 76 Q CB 0.000 28.850 28.738 0.187 0.000 1.108 77 G N 1.034 109.874 108.800 0.067 0.000 2.799 77 G HA2 -0.234 3.726 3.960 -0.000 0.000 0.200 77 G HA3 -0.234 3.726 3.960 -0.000 0.000 0.200 77 G C 0.837 175.780 174.900 0.072 0.000 1.206 77 G CA 0.472 45.601 45.100 0.049 0.000 0.827 77 G HN 0.225 nan 8.290 nan 0.000 0.511 78 E N -0.242 120.028 120.200 0.117 0.000 2.024 78 E HA 0.304 4.654 4.350 -0.000 0.000 0.190 78 E C 0.660 177.418 176.600 0.262 0.000 0.974 78 E CA 0.301 56.799 56.400 0.163 0.000 0.810 78 E CB 0.163 29.970 29.700 0.178 0.000 0.775 78 E HN 0.303 nan 8.360 nan 0.000 0.453 79 F N 1.761 121.810 119.950 0.164 0.000 2.472 79 F HA 0.273 4.800 4.527 -0.000 0.000 0.364 79 F C 1.200 177.099 175.800 0.164 0.000 1.090 79 F CA -0.677 57.450 58.000 0.212 0.000 1.188 79 F CB 1.123 40.347 39.000 0.373 0.000 1.105 79 F HN -0.006 nan 8.300 nan 0.000 0.536 80 G N 4.604 113.165 108.800 -0.398 0.000 2.443 80 G HA2 0.037 3.997 3.960 -0.000 0.000 0.219 80 G HA3 0.037 3.997 3.960 -0.000 0.000 0.219 80 G C 0.899 175.389 174.900 -0.683 0.000 1.131 80 G CA 0.460 45.310 45.100 -0.416 0.000 0.775 80 G HN 0.968 nan 8.290 nan 0.000 0.547 81 G N -0.206 107.620 108.800 -1.624 0.000 2.516 81 G HA2 0.502 4.462 3.960 -0.000 0.000 0.276 81 G HA3 0.502 4.462 3.960 -0.000 0.000 0.276 81 G C 0.290 174.994 174.900 -0.325 0.000 1.390 81 G CA 0.062 44.599 45.100 -0.939 0.000 1.050 81 G HN 0.562 nan 8.290 nan 0.000 0.519 82 A N 0.198 123.071 122.820 0.087 0.000 2.477 82 A HA 0.536 4.856 4.320 -0.000 0.000 0.246 82 A C -1.973 175.861 177.584 0.418 0.000 1.078 82 A CA -0.704 51.453 52.037 0.200 0.000 0.770 82 A CB -0.182 18.928 19.000 0.184 0.000 1.011 82 A HN 0.417 nan 8.150 nan 0.000 0.494 83 P HA 0.324 nan 4.420 nan 0.000 0.268 83 P C -0.677 176.816 177.300 0.322 0.000 1.208 83 P CA 0.361 63.623 63.100 0.270 0.000 0.777 83 P CB 0.236 31.991 31.700 0.093 0.000 0.875 84 F N -0.647 119.389 119.950 0.143 0.000 2.611 84 F HA 0.622 5.149 4.527 -0.000 0.000 0.324 84 F C 1.200 177.027 175.800 0.045 0.000 1.061 84 F CA -1.225 56.817 58.000 0.070 0.000 0.954 84 F CB 1.130 40.136 39.000 0.009 0.000 1.301 84 F HN 0.143 nan 8.300 nan 0.000 0.482 85 K N 0.406 120.924 120.400 0.198 0.000 2.021 85 K HA 0.134 4.454 4.320 -0.000 0.000 0.205 85 K C 0.133 176.814 176.600 0.135 0.000 1.047 85 K CA 0.783 57.128 56.287 0.097 0.000 0.943 85 K CB 0.202 32.752 32.500 0.083 0.000 0.725 85 K HN 0.808 nan 8.250 nan 0.000 0.439 86 R N -0.100 120.555 120.500 0.259 0.000 2.651 86 R HA 0.163 4.503 4.340 -0.000 0.000 0.278 86 R C -1.821 174.669 176.300 0.317 0.000 1.010 86 R CA -0.660 55.591 56.100 0.252 0.000 0.896 86 R CB 1.116 31.487 30.300 0.118 0.000 1.211 86 R HN 0.008 nan 8.270 nan 0.000 0.456 87 F N 5.141 125.202 119.950 0.186 0.000 2.404 87 F HA 0.307 4.834 4.527 -0.000 0.000 0.345 87 F C -0.097 175.669 175.800 -0.057 0.000 1.110 87 F CA -0.372 57.637 58.000 0.016 0.000 1.130 87 F CB 0.899 39.975 39.000 0.126 0.000 1.129 87 F HN 0.531 nan 8.300 nan 0.000 0.500 88 L N 4.182 124.943 121.223 -0.771 0.000 2.379 88 L HA 0.345 4.685 4.340 -0.000 0.000 0.190 88 L C -0.034 176.529 176.870 -0.511 0.000 1.111 88 L CA 0.023 54.583 54.840 -0.467 0.000 0.820 88 L CB -0.065 41.776 42.059 -0.364 0.000 1.046 88 L HN 0.623 nan 8.230 nan 0.000 0.485 89 R N -1.700 118.291 120.500 -0.849 0.000 2.741 89 R HA 0.701 5.041 4.340 -0.000 0.000 0.274 89 R C -0.493 175.605 176.300 -0.338 0.000 1.029 89 R CA -0.323 55.554 56.100 -0.371 0.000 0.880 89 R CB 0.418 30.631 30.300 -0.147 0.000 1.264 89 R HN 0.157 nan 8.270 nan 0.000 0.465 90 G N -0.209 108.613 108.800 0.035 0.000 2.548 90 G HA2 -0.111 3.849 3.960 -0.000 0.000 0.208 90 G HA3 -0.111 3.849 3.960 -0.000 0.000 0.208 90 G C -0.935 174.126 174.900 0.267 0.000 1.308 90 G CA -0.452 44.707 45.100 0.098 0.000 0.924 90 G HN 0.709 nan 8.290 nan 0.000 0.540 91 T N 1.948 116.616 114.554 0.191 0.000 2.870 91 T HA 0.510 4.860 4.350 -0.000 0.000 0.300 91 T C 0.770 175.642 174.700 0.288 0.000 0.989 91 T CA 0.584 62.790 62.100 0.178 0.000 1.139 91 T CB 0.173 69.085 68.868 0.072 0.000 0.920 91 T HN 0.722 nan 8.240 nan 0.000 0.537 92 R N 2.922 123.531 120.500 0.182 0.000 2.514 92 R HA 0.730 5.070 4.340 -0.000 0.000 0.301 92 R C -0.819 175.538 176.300 0.094 0.000 0.962 92 R CA -0.892 55.266 56.100 0.098 0.000 0.882 92 R CB 1.487 31.634 30.300 -0.255 0.000 1.143 92 R HN 0.549 nan 8.270 nan 0.000 0.452 93 I N 2.741 123.400 120.570 0.149 0.000 2.460 93 I HA 0.486 4.656 4.170 -0.000 0.000 0.298 93 I C -1.034 175.171 176.117 0.146 0.000 0.989 93 I CA -1.137 60.267 61.300 0.173 0.000 1.173 93 I CB 1.848 40.006 38.000 0.263 0.000 1.338 93 I HN 0.462 nan 8.210 nan 0.000 0.456 94 V N 5.252 125.239 119.914 0.121 0.000 3.102 94 V HA 0.448 4.567 4.120 -0.000 0.000 0.312 94 V C -0.247 175.899 176.094 0.086 0.000 1.135 94 V CA -0.505 61.847 62.300 0.087 0.000 1.022 94 V CB 2.704 34.561 31.823 0.056 0.000 1.056 94 V HN 0.876 nan 8.190 nan 0.000 0.436 95 S N 1.513 117.252 115.700 0.064 0.000 2.585 95 S HA 0.307 4.776 4.470 -0.000 0.000 0.273 95 S C 1.367 175.991 174.600 0.041 0.000 1.339 95 S CA 0.234 58.463 58.200 0.050 0.000 1.028 95 S CB 1.234 64.457 63.200 0.037 0.000 0.906 95 S HN 1.303 nan 8.310 nan 0.000 0.528 96 G N 2.021 110.837 108.800 0.026 0.000 2.553 96 G HA2 -0.150 3.809 3.960 -0.000 0.000 0.218 96 G HA3 -0.150 3.809 3.960 -0.000 0.000 0.218 96 G C 1.413 176.334 174.900 0.036 0.000 1.195 96 G CA 0.786 45.901 45.100 0.024 0.000 0.779 96 G HN 1.097 nan 8.290 nan 0.000 0.577 97 G N 0.119 108.936 108.800 0.029 0.000 2.442 97 G HA2 -0.210 3.749 3.960 -0.000 0.000 0.219 97 G HA3 -0.210 3.749 3.960 -0.000 0.000 0.219 97 G C 1.733 176.654 174.900 0.035 0.000 1.141 97 G CA 1.296 46.414 45.100 0.031 0.000 0.763 97 G HN 0.472 nan 8.290 nan 0.000 0.554 98 K N -0.319 120.102 120.400 0.035 0.000 2.097 98 K HA -0.010 4.309 4.320 -0.000 0.000 0.205 98 K C 2.427 179.055 176.600 0.047 0.000 1.050 98 K CA 0.966 57.274 56.287 0.035 0.000 0.938 98 K CB -0.221 32.297 32.500 0.031 0.000 0.718 98 K HN 0.312 nan 8.250 nan 0.000 0.442 99 L N 1.852 123.113 121.223 0.063 0.000 2.056 99 L HA -0.135 4.205 4.340 -0.000 0.000 0.207 99 L C 1.869 178.799 176.870 0.101 0.000 1.078 99 L CA 1.758 56.654 54.840 0.093 0.000 0.749 99 L CB -0.304 41.823 42.059 0.113 0.000 0.901 99 L HN 0.009 nan 8.230 nan 0.000 0.433 100 K N -0.831 119.621 120.400 0.087 0.000 2.113 100 K HA -0.206 4.114 4.320 -0.000 0.000 0.208 100 K C 2.255 178.888 176.600 0.056 0.000 1.047 100 K CA 1.652 57.987 56.287 0.080 0.000 0.928 100 K CB -0.205 32.334 32.500 0.064 0.000 0.716 100 K HN 0.335 nan 8.250 nan 0.000 0.446 101 R N 0.391 120.918 120.500 0.044 0.000 2.061 101 R HA -0.024 4.316 4.340 -0.000 0.000 0.230 101 R C 2.457 178.773 176.300 0.028 0.000 1.140 101 R CA 1.636 57.754 56.100 0.030 0.000 0.940 101 R CB -0.266 30.049 30.300 0.024 0.000 0.839 101 R HN 0.201 nan 8.270 nan 0.000 0.429 102 M N 0.084 119.705 119.600 0.035 0.000 2.082 102 M HA -0.170 4.310 4.480 -0.000 0.000 0.258 102 M C 2.312 178.626 176.300 0.024 0.000 1.069 102 M CA 2.389 57.708 55.300 0.031 0.000 1.102 102 M CB -0.640 31.987 32.600 0.044 0.000 1.336 102 M HN 0.290 nan 8.290 nan 0.000 0.404 103 T N -2.230 112.346 114.554 0.037 0.000 3.088 103 T HA 0.041 4.391 4.350 -0.000 0.000 0.259 103 T C 0.893 175.575 174.700 -0.030 0.000 1.122 103 T CA -0.206 61.888 62.100 -0.010 0.000 1.095 103 T CB -0.245 68.616 68.868 -0.012 0.000 0.930 103 T HN 0.275 nan 8.240 nan 0.000 0.508 104 R N 1.415 121.915 120.500 0.000 0.000 2.583 104 R HA 0.170 4.510 4.340 -0.000 0.000 0.274 104 R C -0.314 175.976 176.300 -0.016 0.000 0.998 104 R CA 0.568 56.666 56.100 -0.003 0.000 1.081 104 R CB 0.235 30.541 30.300 0.009 0.000 0.940 104 R HN 0.474 nan 8.270 nan 0.000 0.413 105 E N 1.560 121.749 120.200 -0.019 0.000 2.416 105 E HA 0.155 4.505 4.350 -0.000 0.000 0.273 105 E C 0.027 176.618 176.600 -0.015 0.000 0.935 105 E CA -0.937 55.449 56.400 -0.023 0.000 0.784 105 E CB 1.676 31.353 29.700 -0.037 0.000 1.301 105 E HN 0.564 nan 8.360 nan 0.000 0.454 106 K N -0.109 120.282 120.400 -0.015 0.000 2.026 106 K HA -0.015 4.305 4.320 -0.000 0.000 0.208 106 K C 0.961 177.555 176.600 -0.010 0.000 1.048 106 K CA 0.916 57.196 56.287 -0.012 0.000 0.929 106 K CB -0.313 32.179 32.500 -0.013 0.000 0.713 106 K HN 0.359 nan 8.250 nan 0.000 0.439 107 A N 2.066 124.878 122.820 -0.013 0.000 2.240 107 A HA 0.255 4.575 4.320 -0.000 0.000 0.292 107 A C -0.143 177.437 177.584 -0.007 0.000 1.121 107 A CA -0.510 51.520 52.037 -0.010 0.000 0.851 107 A CB 0.336 19.329 19.000 -0.012 0.000 1.167 107 A HN 0.087 nan 8.150 nan 0.000 0.503 108 K N 0.643 121.041 120.400 -0.003 0.000 2.350 108 K HA 0.248 4.568 4.320 -0.000 0.000 0.279 108 K C -0.356 176.249 176.600 0.009 0.000 1.027 108 K CA 0.384 56.671 56.287 0.000 0.000 0.969 108 K CB 0.507 33.007 32.500 -0.001 0.000 0.954 108 K HN 0.674 nan 8.250 nan 0.000 0.474 109 Q N 0.443 120.249 119.800 0.009 0.000 2.496 109 Q HA 0.471 4.811 4.340 -0.000 0.000 0.286 109 Q C -0.584 175.434 176.000 0.030 0.000 1.103 109 Q CA -1.095 54.722 55.803 0.023 0.000 0.813 109 Q CB 2.120 30.860 28.738 0.004 0.000 1.444 109 Q HN 0.459 nan 8.270 nan 0.000 0.443 110 V N -2.155 117.795 119.914 0.059 0.000 2.975 110 V HA 0.836 4.956 4.120 -0.000 0.000 0.318 110 V C -0.198 175.936 176.094 0.067 0.000 1.077 110 V CA -0.691 61.631 62.300 0.037 0.000 1.000 110 V CB 1.474 33.315 31.823 0.030 0.000 1.066 110 V HN 0.929 nan 8.190 nan 0.000 0.452 111 T N -0.739 113.857 114.554 0.070 0.000 2.885 111 T HA 0.759 5.109 4.350 -0.000 0.000 0.285 111 T C -0.732 174.064 174.700 0.160 0.000 1.019 111 T CA -0.695 61.481 62.100 0.126 0.000 1.010 111 T CB 1.584 70.518 68.868 0.110 0.000 1.022 111 T HN 0.805 nan 8.240 nan 0.000 0.466 112 V N 2.420 122.471 119.914 0.228 0.000 2.326 112 V HA 0.653 4.773 4.120 -0.000 0.000 0.281 112 V C 0.842 177.016 176.094 0.133 0.000 1.015 112 V CA -0.219 62.202 62.300 0.203 0.000 0.823 112 V CB -0.037 31.952 31.823 0.276 0.000 1.009 112 V HN 1.610 nan 8.190 nan 0.000 0.436 113 A N 4.037 126.916 122.820 0.098 0.000 2.791 113 A HA 0.030 4.350 4.320 -0.000 0.000 0.292 113 A C 1.743 179.368 177.584 0.070 0.000 1.487 113 A CA 1.267 53.343 52.037 0.065 0.000 0.760 113 A CB -1.537 17.480 19.000 0.028 0.000 1.031 113 A HN 2.558 nan 8.150 nan 0.000 0.503 114 G N -3.668 105.186 108.800 0.091 0.000 2.184 114 G HA2 -0.026 3.934 3.960 -0.000 0.000 0.264 114 G HA3 -0.026 3.934 3.960 -0.000 0.000 0.264 114 G C 0.344 175.305 174.900 0.102 0.000 0.975 114 G CA 0.562 45.713 45.100 0.085 0.000 0.642 114 G HN 1.894 nan 8.290 nan 0.000 0.536 115 V N 3.140 123.141 119.914 0.144 0.000 2.370 115 V HA 0.457 4.577 4.120 -0.000 0.000 0.279 115 V C -1.505 174.730 176.094 0.234 0.000 1.029 115 V CA -1.691 60.728 62.300 0.198 0.000 0.870 115 V CB 1.667 33.648 31.823 0.264 0.000 0.984 115 V HN 0.201 nan 8.190 nan 0.000 0.451 116 P HA 0.024 nan 4.420 nan 0.000 0.263 116 P C -0.396 176.887 177.300 -0.029 0.000 1.195 116 P CA 0.007 63.147 63.100 0.067 0.000 0.762 116 P CB 0.617 32.334 31.700 0.029 0.000 0.799 117 M N 6.351 125.904 119.600 -0.079 0.000 2.162 117 M HA 0.324 4.804 4.480 -0.000 0.000 0.356 117 M C -2.398 173.668 176.300 -0.390 0.000 1.303 117 M CA -2.272 52.771 55.300 -0.428 0.000 1.116 117 M CB 0.828 33.384 32.600 -0.073 0.000 1.632 117 M HN 0.078 nan 8.290 nan 0.000 0.469 118 P HA -0.006 nan 4.420 nan 0.000 0.262 118 P C -0.059 177.126 177.300 -0.192 0.000 1.182 118 P CA -0.006 62.904 63.100 -0.317 0.000 0.761 118 P CB 0.428 31.928 31.700 -0.333 0.000 0.795 119 R N 3.395 123.825 120.500 -0.116 0.000 2.096 119 R HA -0.196 4.144 4.340 -0.000 0.000 0.240 119 R C 1.431 177.675 176.300 -0.094 0.000 1.139 119 R CA 2.467 58.520 56.100 -0.079 0.000 0.952 119 R CB -1.299 28.965 30.300 -0.060 0.000 0.854 119 R HN 0.678 nan 8.270 nan 0.000 0.436 120 D N -0.201 120.142 120.400 -0.096 0.000 2.309 120 D HA -0.082 4.558 4.640 -0.000 0.000 0.212 120 D C 1.437 177.673 176.300 -0.106 0.000 0.968 120 D CA 1.132 55.074 54.000 -0.096 0.000 0.882 120 D CB -0.020 40.734 40.800 -0.076 0.000 0.918 120 D HN 0.201 nan 8.370 nan 0.000 0.503 121 A N 0.172 122.929 122.820 -0.106 0.000 2.123 121 A HA -0.015 4.305 4.320 -0.000 0.000 0.214 121 A C 1.983 179.519 177.584 -0.079 0.000 1.152 121 A CA 0.455 52.447 52.037 -0.075 0.000 0.728 121 A CB -0.374 18.590 19.000 -0.059 0.000 0.814 121 A HN 0.188 nan 8.150 nan 0.000 0.464 122 E N 0.265 120.402 120.200 -0.106 0.000 2.038 122 E HA -0.143 4.206 4.350 -0.000 0.000 0.195 122 E C -0.810 175.589 176.600 -0.335 0.000 1.000 122 E CA 1.528 57.835 56.400 -0.156 0.000 0.803 122 E CB -0.651 28.934 29.700 -0.191 0.000 0.750 122 E HN 0.524 nan 8.360 nan 0.000 0.448 123 P HA -0.015 nan 4.420 nan 0.000 0.249 123 P C 0.250 177.104 177.300 -0.744 0.000 1.241 123 P CA 0.632 63.441 63.100 -0.486 0.000 0.781 123 P CB 0.250 31.751 31.700 -0.331 0.000 1.088 124 R N -0.945 119.220 120.500 -0.559 0.000 2.334 124 R HA 0.102 4.442 4.340 -0.000 0.000 0.216 124 R C 0.113 176.135 176.300 -0.463 0.000 0.905 124 R CA -0.049 55.764 56.100 -0.479 0.000 1.064 124 R CB -0.497 29.702 30.300 -0.169 0.000 1.046 124 R HN 0.367 nan 8.270 nan 0.000 0.508 125 H N -0.716 118.313 119.070 -0.067 0.000 4.747 125 H HA -0.187 4.369 4.556 -0.000 0.000 0.260 125 H C -0.860 174.586 175.328 0.198 0.000 0.537 125 H CA 0.323 56.365 56.048 -0.011 0.000 0.689 125 H CB -0.720 28.870 29.762 -0.287 0.000 0.913 125 H HN 0.097 nan 8.280 nan 0.000 0.306 126 L N 1.651 123.156 121.223 0.470 0.000 2.410 126 L HA 0.552 4.892 4.340 -0.000 0.000 0.270 126 L C -1.331 175.778 176.870 0.399 0.000 0.983 126 L CA -0.777 54.307 54.840 0.405 0.000 0.822 126 L CB 1.607 43.866 42.059 0.333 0.000 1.285 126 L HN 0.502 nan 8.230 nan 0.000 0.409 127 L N 6.109 127.456 121.223 0.207 0.000 2.298 127 L HA 0.625 4.965 4.340 -0.000 0.000 0.284 127 L C -1.145 175.713 176.870 -0.021 0.000 1.013 127 L CA -0.248 54.539 54.840 -0.089 0.000 0.824 127 L CB 1.711 43.584 42.059 -0.310 0.000 1.221 127 L HN 0.408 nan 8.230 nan 0.000 0.418 128 V N 5.205 125.112 119.914 -0.011 0.000 2.277 128 V HA 0.376 4.496 4.120 -0.000 0.000 0.269 128 V C -0.010 176.082 176.094 -0.003 0.000 1.036 128 V CA -0.602 61.710 62.300 0.020 0.000 0.821 128 V CB 0.745 32.608 31.823 0.065 0.000 1.052 128 V HN 0.816 nan 8.190 nan 0.000 0.462 129 N N 3.339 122.033 118.700 -0.009 0.000 2.438 129 N HA 0.739 5.479 4.740 -0.000 0.000 0.282 129 N C -0.129 175.389 175.510 0.013 0.000 1.037 129 N CA 0.262 53.306 53.050 -0.010 0.000 0.942 129 N CB 1.606 40.079 38.487 -0.022 0.000 1.136 129 N HN 0.843 nan 8.380 nan 0.000 0.481 130 G N 0.755 109.564 108.800 0.016 0.000 2.633 130 G HA2 0.551 4.511 3.960 -0.000 0.000 0.299 130 G HA3 0.551 4.511 3.960 -0.000 0.000 0.299 130 G C -1.125 173.788 174.900 0.023 0.000 1.501 130 G CA -0.349 44.766 45.100 0.024 0.000 0.887 130 G HN 0.729 nan 8.290 nan 0.000 0.561 131 A N 0.770 123.604 122.820 0.023 0.000 2.475 131 A HA 0.601 4.921 4.320 -0.000 0.000 0.239 131 A C 1.161 178.758 177.584 0.021 0.000 1.087 131 A CA 0.929 52.978 52.037 0.020 0.000 0.779 131 A CB 0.205 19.216 19.000 0.019 0.000 1.036 131 A HN 1.804 nan 8.150 nan 0.000 0.506 132 T N 0.007 114.572 114.554 0.020 0.000 2.867 132 T HA 0.423 4.773 4.350 -0.000 0.000 0.297 132 T C 1.271 175.980 174.700 0.016 0.000 0.989 132 T CA 1.508 63.620 62.100 0.020 0.000 1.159 132 T CB -0.511 68.368 68.868 0.018 0.000 0.928 132 T HN 2.380 nan 8.240 nan 0.000 0.538 133 G N 3.297 112.107 108.800 0.016 0.000 2.132 133 G HA2 -0.283 3.677 3.960 -0.000 0.000 0.234 133 G HA3 -0.283 3.677 3.960 -0.000 0.000 0.234 133 G C 0.753 175.661 174.900 0.013 0.000 0.989 133 G CA 0.894 46.001 45.100 0.013 0.000 0.676 133 G HN 1.252 nan 8.290 nan 0.000 0.522 134 T N -3.262 111.302 114.554 0.018 0.000 3.037 134 T HA 0.484 4.834 4.350 -0.000 0.000 0.251 134 T C 1.986 176.697 174.700 0.019 0.000 1.079 134 T CA 1.557 63.667 62.100 0.018 0.000 1.067 134 T CB 0.740 69.621 68.868 0.022 0.000 0.948 134 T HN 2.063 nan 8.240 nan 0.000 0.496 135 G N 1.148 109.962 108.800 0.025 0.000 2.200 135 G HA2 -0.155 3.805 3.960 -0.000 0.000 0.145 135 G HA3 -0.155 3.805 3.960 -0.000 0.000 0.145 135 G C 0.742 175.667 174.900 0.042 0.000 1.021 135 G CA 0.109 45.227 45.100 0.030 0.000 0.720 135 G HN 0.424 nan 8.290 nan 0.000 0.494 136 K N 0.767 121.193 120.400 0.044 0.000 2.044 136 K HA -0.081 4.238 4.320 -0.000 0.000 0.210 136 K C 2.582 179.222 176.600 0.066 0.000 1.049 136 K CA 1.818 58.140 56.287 0.057 0.000 0.927 136 K CB -0.219 32.314 32.500 0.056 0.000 0.713 136 K HN 0.310 nan 8.250 nan 0.000 0.443 137 S N 0.687 116.419 115.700 0.053 0.000 2.368 137 S HA -0.103 4.367 4.470 -0.000 0.000 0.225 137 S C 2.132 176.763 174.600 0.051 0.000 1.030 137 S CA 1.045 59.272 58.200 0.046 0.000 0.999 137 S CB -0.180 63.035 63.200 0.026 0.000 0.844 137 S HN 0.050 nan 8.310 nan 0.000 0.459 138 V N 2.025 121.974 119.914 0.057 0.000 2.295 138 V HA -0.154 3.966 4.120 -0.000 0.000 0.246 138 V C 2.192 178.341 176.094 0.091 0.000 1.049 138 V CA 1.646 63.994 62.300 0.079 0.000 1.024 138 V CB -0.577 31.285 31.823 0.065 0.000 0.648 138 V HN 0.425 nan 8.190 nan 0.000 0.447 139 L N -0.949 120.322 121.223 0.080 0.000 2.012 139 L HA -0.212 4.128 4.340 -0.000 0.000 0.210 139 L C 2.332 179.262 176.870 0.100 0.000 1.073 139 L CA 1.730 56.624 54.840 0.090 0.000 0.748 139 L CB -0.179 41.931 42.059 0.084 0.000 0.891 139 L HN 0.234 nan 8.230 nan 0.000 0.431 140 L N -0.229 121.055 121.223 0.102 0.000 2.083 140 L HA -0.187 4.152 4.340 -0.000 0.000 0.209 140 L C 2.706 179.531 176.870 -0.075 0.000 1.083 140 L CA 1.567 56.471 54.840 0.106 0.000 0.752 140 L CB -0.696 41.456 42.059 0.153 0.000 0.899 140 L HN 0.207 nan 8.230 nan 0.000 0.433 141 R N -0.490 119.993 120.500 -0.028 0.000 2.075 141 R HA -0.203 4.137 4.340 -0.000 0.000 0.232 141 R C 2.285 178.559 176.300 -0.044 0.000 1.126 141 R CA 1.634 57.711 56.100 -0.039 0.000 0.963 141 R CB -0.117 30.207 30.300 0.039 0.000 0.858 141 R HN 0.491 nan 8.270 nan 0.000 0.435 142 E N 0.462 120.712 120.200 0.082 0.000 2.072 142 E HA -0.212 4.138 4.350 -0.000 0.000 0.191 142 E C 2.053 178.689 176.600 0.060 0.000 0.985 142 E CA 0.917 57.419 56.400 0.170 0.000 0.801 142 E CB -0.106 29.706 29.700 0.186 0.000 0.750 142 E HN 0.360 nan 8.360 nan 0.000 0.452 143 L N 0.490 121.712 121.223 -0.002 0.000 1.994 143 L HA -0.192 4.148 4.340 -0.000 0.000 0.208 143 L C 2.653 179.373 176.870 -0.250 0.000 1.071 143 L CA 1.420 56.227 54.840 -0.055 0.000 0.745 143 L CB -0.469 41.650 42.059 0.098 0.000 0.892 143 L HN 0.292 nan 8.230 nan 0.000 0.431 144 A N -0.796 121.747 122.820 -0.462 0.000 1.892 144 A HA -0.340 3.980 4.320 -0.000 0.000 0.218 144 A C 2.122 179.335 177.584 -0.617 0.000 1.188 144 A CA 2.065 53.648 52.037 -0.757 0.000 0.631 144 A CB -1.156 17.236 19.000 -1.013 0.000 0.822 144 A HN 0.587 nan 8.150 nan 0.000 0.447 145 Y N 1.874 121.702 120.300 -0.787 0.000 2.053 145 Y HA -0.282 4.268 4.550 -0.000 0.000 0.277 145 Y C 2.928 178.596 175.900 -0.387 0.000 1.159 145 Y CA 2.906 60.523 58.100 -0.805 0.000 1.125 145 Y CB -1.091 37.038 38.460 -0.552 0.000 0.969 145 Y HN 0.445 nan 8.280 nan 0.000 0.492 146 T N -2.367 111.929 114.554 -0.430 0.000 2.881 146 T HA -0.085 4.264 4.350 -0.000 0.000 0.270 146 T C 2.162 176.667 174.700 -0.325 0.000 1.068 146 T CA 1.211 63.062 62.100 -0.415 0.000 1.131 146 T CB -1.300 67.477 68.868 -0.151 0.000 0.871 146 T HN 0.441 nan 8.240 nan 0.000 0.479 147 G N 1.376 109.973 108.800 -0.339 0.000 2.408 147 G HA2 0.035 3.995 3.960 -0.000 0.000 0.217 147 G HA3 0.035 3.995 3.960 -0.000 0.000 0.217 147 G C 1.513 176.306 174.900 -0.177 0.000 1.150 147 G CA 0.522 45.464 45.100 -0.263 0.000 0.776 147 G HN 0.525 nan 8.290 nan 0.000 0.542 148 L N 0.043 121.100 121.223 -0.277 0.000 2.093 148 L HA 0.049 4.388 4.340 -0.000 0.000 0.208 148 L C 2.821 179.583 176.870 -0.180 0.000 1.085 148 L CA 0.404 55.127 54.840 -0.195 0.000 0.755 148 L CB -0.333 41.576 42.059 -0.251 0.000 0.904 148 L HN 0.173 nan 8.230 nan 0.000 0.435 149 L N -0.483 120.557 121.223 -0.305 0.000 2.131 149 L HA -0.208 4.132 4.340 -0.000 0.000 0.210 149 L C 2.623 179.416 176.870 -0.127 0.000 1.092 149 L CA 1.124 55.816 54.840 -0.246 0.000 0.759 149 L CB -0.453 41.381 42.059 -0.374 0.000 0.903 149 L HN 0.254 nan 8.230 nan 0.000 0.435 150 R N 0.166 120.606 120.500 -0.101 0.000 2.299 150 R HA 0.004 4.344 4.340 -0.000 0.000 0.197 150 R C 1.143 177.443 176.300 -0.002 0.000 0.971 150 R CA 0.672 56.754 56.100 -0.031 0.000 1.030 150 R CB 0.146 30.451 30.300 0.009 0.000 0.932 150 R HN 0.393 nan 8.270 nan 0.000 0.477 151 G N 1.237 110.032 108.800 -0.008 0.000 2.137 151 G HA2 -0.204 3.756 3.960 -0.000 0.000 0.237 151 G HA3 -0.204 3.756 3.960 -0.000 0.000 0.237 151 G C -0.748 174.183 174.900 0.053 0.000 1.002 151 G CA 0.205 45.315 45.100 0.017 0.000 0.702 151 G HN 0.399 nan 8.290 nan 0.000 0.515 152 D N 0.076 120.534 120.400 0.098 0.000 2.339 152 D HA 0.440 5.079 4.640 -0.000 0.000 0.245 152 D C 1.073 177.482 176.300 0.180 0.000 1.115 152 D CA -0.078 54.029 54.000 0.179 0.000 0.917 152 D CB 0.818 41.856 40.800 0.398 0.000 1.192 152 D HN 0.396 nan 8.370 nan 0.000 0.428 153 R N 0.488 121.087 120.500 0.166 0.000 2.532 153 R HA 0.700 5.040 4.340 -0.000 0.000 0.272 153 R C 0.257 176.721 176.300 0.274 0.000 1.032 153 R CA -0.547 55.644 56.100 0.151 0.000 1.089 153 R CB 1.062 31.370 30.300 0.013 0.000 1.098 153 R HN 0.511 nan 8.270 nan 0.000 0.526 154 M N -1.539 118.233 119.600 0.287 0.000 2.643 154 M HA 0.395 4.875 4.480 -0.000 0.000 0.276 154 M C -1.578 174.906 176.300 0.306 0.000 1.200 154 M CA -1.155 54.358 55.300 0.354 0.000 0.863 154 M CB 1.891 34.741 32.600 0.416 0.000 1.711 154 M HN 0.188 nan 8.290 nan 0.000 0.492 155 V N 2.866 122.959 119.914 0.299 0.000 2.384 155 V HA 0.580 4.699 4.120 -0.000 0.000 0.287 155 V C -0.547 175.636 176.094 0.149 0.000 1.020 155 V CA -0.413 61.989 62.300 0.170 0.000 0.850 155 V CB 1.745 33.688 31.823 0.201 0.000 0.987 155 V HN 0.721 nan 8.190 nan 0.000 0.436 156 I N 4.971 125.527 120.570 -0.023 0.000 2.382 156 I HA 0.322 4.492 4.170 -0.000 0.000 0.285 156 I C -0.199 175.995 176.117 0.128 0.000 1.007 156 I CA -0.824 60.509 61.300 0.055 0.000 1.142 156 I CB 2.052 39.952 38.000 -0.167 0.000 1.289 156 I HN 0.270 nan 8.210 nan 0.000 0.453 157 V N 4.999 125.056 119.914 0.237 0.000 2.364 157 V HA 0.002 4.122 4.120 -0.000 0.000 0.252 157 V C -0.047 176.238 176.094 0.317 0.000 1.075 157 V CA 0.257 62.765 62.300 0.347 0.000 1.033 157 V CB 0.097 32.132 31.823 0.354 0.000 1.116 157 V HN 0.629 nan 8.190 nan 0.000 0.488 158 D N 7.281 127.822 120.400 0.235 0.000 2.454 158 D HA 0.382 5.022 4.640 -0.000 0.000 0.225 158 D C -2.681 173.372 176.300 -0.412 0.000 1.081 158 D CA -2.128 51.876 54.000 0.007 0.000 0.864 158 D CB 1.791 42.665 40.800 0.124 0.000 1.040 158 D HN 0.253 nan 8.370 nan 0.000 0.517 159 P HA 0.166 nan 4.420 nan 0.000 0.271 159 P C -0.186 176.719 177.300 -0.657 0.000 1.216 159 P CA -0.182 62.230 63.100 -1.146 0.000 0.771 159 P CB 0.478 31.802 31.700 -0.626 0.000 0.864 160 N N 2.228 120.508 118.700 -0.699 0.000 2.678 160 N HA -0.212 4.528 4.740 -0.000 0.000 0.250 160 N C 0.845 176.204 175.510 -0.251 0.000 1.136 160 N CA 1.662 54.476 53.050 -0.393 0.000 0.757 160 N CB -1.843 36.472 38.487 -0.287 0.000 1.135 160 N HN 0.892 nan 8.380 nan 0.000 0.565 161 G N 0.453 109.111 108.800 -0.236 0.000 2.321 161 G HA2 -0.371 3.588 3.960 -0.000 0.000 0.287 161 G HA3 -0.371 3.588 3.960 -0.000 0.000 0.287 161 G C 0.637 175.455 174.900 -0.138 0.000 1.018 161 G CA 1.291 46.318 45.100 -0.121 0.000 0.855 161 G HN 0.650 nan 8.290 nan 0.000 0.507 162 D N -0.425 119.881 120.400 -0.157 0.000 2.084 162 D HA -0.101 4.539 4.640 -0.000 0.000 0.194 162 D C 2.598 178.774 176.300 -0.207 0.000 0.990 162 D CA 1.612 55.512 54.000 -0.167 0.000 0.826 162 D CB -0.102 40.607 40.800 -0.151 0.000 0.971 162 D HN 0.335 nan 8.370 nan 0.000 0.453 163 M N -0.175 119.351 119.600 -0.123 0.000 2.159 163 M HA -0.077 4.402 4.480 -0.000 0.000 0.263 163 M C 2.266 178.535 176.300 -0.052 0.000 1.063 163 M CA 0.697 55.946 55.300 -0.086 0.000 1.110 163 M CB -0.790 31.917 32.600 0.178 0.000 1.374 163 M HN 0.252 nan 8.290 nan 0.000 0.411 164 L N 0.948 122.108 121.223 -0.105 0.000 2.017 164 L HA -0.168 4.172 4.340 -0.000 0.000 0.208 164 L C 2.636 179.213 176.870 -0.488 0.000 1.073 164 L CA 2.432 56.865 54.840 -0.679 0.000 0.745 164 L CB -0.903 40.845 42.059 -0.518 0.000 0.894 164 L HN 0.402 nan 8.230 nan 0.000 0.432 165 S N -1.628 113.879 115.700 -0.323 0.000 2.474 165 S HA -0.105 4.365 4.470 -0.000 0.000 0.235 165 S C 1.767 176.191 174.600 -0.293 0.000 0.997 165 S CA 0.741 58.786 58.200 -0.259 0.000 0.949 165 S CB -0.414 62.674 63.200 -0.187 0.000 0.766 165 S HN 0.513 nan 8.310 nan 0.000 0.517 166 K N 0.208 120.327 120.400 -0.468 0.000 2.240 166 K HA 0.262 4.582 4.320 -0.000 0.000 0.202 166 K C 0.675 176.957 176.600 -0.529 0.000 1.053 166 K CA 0.658 56.557 56.287 -0.648 0.000 0.973 166 K CB -0.282 31.465 32.500 -1.255 0.000 0.924 166 K HN 0.548 nan 8.250 nan 0.000 0.477 167 F N 0.939 120.858 119.950 -0.051 0.000 2.682 167 F HA 0.324 4.851 4.527 -0.000 0.000 0.308 167 F C 1.149 176.981 175.800 0.053 0.000 1.093 167 F CA -1.193 56.833 58.000 0.043 0.000 1.244 167 F CB -0.378 38.685 39.000 0.104 0.000 1.052 167 F HN -0.168 nan 8.300 nan 0.000 0.573 168 G N 1.431 110.166 108.800 -0.109 0.000 2.343 168 G HA2 0.436 4.396 3.960 -0.000 0.000 0.254 168 G HA3 0.436 4.396 3.960 -0.000 0.000 0.254 168 G C 0.103 174.956 174.900 -0.079 0.000 1.277 168 G CA -0.233 44.679 45.100 -0.312 0.000 0.909 168 G HN 0.155 nan 8.290 nan 0.000 0.502 169 R N 1.162 121.678 120.500 0.026 0.000 2.843 169 R HA 0.409 4.749 4.340 -0.000 0.000 0.232 169 R C 0.489 176.803 176.300 0.024 0.000 1.305 169 R CA -0.723 55.405 56.100 0.047 0.000 1.096 169 R CB 0.717 31.076 30.300 0.100 0.000 1.455 169 R HN 0.411 nan 8.270 nan 0.000 0.520 170 D N 0.240 120.660 120.400 0.034 0.000 2.213 170 D HA -0.093 4.547 4.640 -0.000 0.000 0.205 170 D C 0.979 177.311 176.300 0.054 0.000 0.961 170 D CA 1.118 55.133 54.000 0.026 0.000 0.853 170 D CB 0.126 40.940 40.800 0.022 0.000 0.967 170 D HN 0.434 nan 8.370 nan 0.000 0.496 171 K N 0.355 120.805 120.400 0.084 0.000 2.459 171 K HA 0.032 4.352 4.320 -0.000 0.000 0.193 171 K C -0.129 176.571 176.600 0.166 0.000 1.030 171 K CA 0.240 56.595 56.287 0.114 0.000 1.026 171 K CB 0.234 32.802 32.500 0.114 0.000 0.809 171 K HN -0.065 nan 8.250 nan 0.000 0.504 172 D N 1.402 121.901 120.400 0.164 0.000 2.339 172 D HA 0.172 4.811 4.640 -0.000 0.000 0.245 172 D C 0.136 176.527 176.300 0.151 0.000 1.115 172 D CA -0.270 53.873 54.000 0.237 0.000 0.917 172 D CB 0.939 41.926 40.800 0.312 0.000 1.192 172 D HN -0.039 nan 8.370 nan 0.000 0.428 173 I N 1.522 122.182 120.570 0.150 0.000 2.488 173 I HA 0.378 4.548 4.170 -0.000 0.000 0.299 173 I C 0.416 176.466 176.117 -0.113 0.000 0.984 173 I CA -0.505 60.740 61.300 -0.092 0.000 1.250 173 I CB 1.035 38.830 38.000 -0.343 0.000 1.389 173 I HN 0.181 nan 8.210 nan 0.000 0.488 174 I N 5.914 126.338 120.570 -0.243 0.000 2.499 174 I HA 0.362 4.532 4.170 -0.000 0.000 0.288 174 I C -0.824 175.083 176.117 -0.351 0.000 1.048 174 I CA -0.515 60.668 61.300 -0.196 0.000 1.062 174 I CB 2.337 40.264 38.000 -0.122 0.000 1.238 174 I HN 0.214 nan 8.210 nan 0.000 0.426 175 L N 6.607 127.589 121.223 -0.402 0.000 2.318 175 L HA 0.524 4.864 4.340 -0.000 0.000 0.277 175 L C -0.657 176.066 176.870 -0.246 0.000 1.008 175 L CA -0.293 54.161 54.840 -0.644 0.000 0.846 175 L CB 1.117 42.325 42.059 -1.418 0.000 1.220 175 L HN 0.556 nan 8.230 nan 0.000 0.423 176 N N 5.410 124.121 118.700 0.019 0.000 2.697 176 N HA 0.173 4.913 4.740 -0.000 0.000 0.271 176 N C -2.340 173.322 175.510 0.252 0.000 1.149 176 N CA -1.073 52.151 53.050 0.289 0.000 0.939 176 N CB 2.522 41.187 38.487 0.297 0.000 1.534 176 N HN 0.092 nan 8.380 nan 0.000 0.556 177 P HA -0.110 nan 4.420 nan 0.000 0.220 177 P C 0.322 177.445 177.300 -0.296 0.000 1.144 177 P CA 1.311 64.384 63.100 -0.045 0.000 0.800 177 P CB 0.128 31.728 31.700 -0.165 0.000 0.772 178 Y N -1.199 119.238 120.300 0.229 0.000 2.467 178 Y HA 0.268 4.818 4.550 -0.000 0.000 0.250 178 Y C 1.004 177.039 175.900 0.225 0.000 1.155 178 Y CA -0.593 57.662 58.100 0.257 0.000 1.249 178 Y CB 0.032 38.700 38.460 0.346 0.000 1.146 178 Y HN -0.064 nan 8.280 nan 0.000 0.524 179 D N 0.407 120.952 120.400 0.242 0.000 2.193 179 D HA 0.050 4.690 4.640 -0.000 0.000 0.244 179 D C 0.805 177.054 176.300 -0.085 0.000 1.064 179 D CA 0.021 54.007 54.000 -0.023 0.000 0.845 179 D CB 1.424 42.267 40.800 0.072 0.000 1.148 179 D HN 0.099 nan 8.370 nan 0.000 0.464 180 Q N 2.789 122.487 119.800 -0.170 0.000 2.142 180 Q HA -0.242 4.098 4.340 -0.000 0.000 0.213 180 Q C 1.497 177.443 176.000 -0.090 0.000 1.004 180 Q CA 1.736 57.467 55.803 -0.121 0.000 0.883 180 Q CB -0.003 28.649 28.738 -0.144 0.000 0.939 180 Q HN 0.530 nan 8.270 nan 0.000 0.413 181 R N 0.009 120.447 120.500 -0.102 0.000 2.307 181 R HA 0.032 4.372 4.340 -0.000 0.000 0.199 181 R C 1.161 177.403 176.300 -0.097 0.000 1.000 181 R CA 0.190 56.235 56.100 -0.091 0.000 1.023 181 R CB -0.188 30.052 30.300 -0.100 0.000 0.908 181 R HN 0.071 nan 8.270 nan 0.000 0.473 182 T N 1.094 115.596 114.554 -0.087 0.000 2.906 182 T HA 0.002 4.352 4.350 -0.000 0.000 0.320 182 T C 0.304 174.928 174.700 -0.126 0.000 1.088 182 T CA -0.103 61.927 62.100 -0.117 0.000 1.120 182 T CB 0.505 69.338 68.868 -0.059 0.000 1.000 182 T HN -0.068 nan 8.240 nan 0.000 0.550 183 K N 2.187 122.453 120.400 -0.224 0.000 2.098 183 K HA 0.454 4.774 4.320 -0.000 0.000 0.244 183 K C 0.581 177.175 176.600 -0.010 0.000 1.014 183 K CA -0.490 55.694 56.287 -0.171 0.000 0.917 183 K CB 0.570 32.796 32.500 -0.456 0.000 1.072 183 K HN 0.771 nan 8.250 nan 0.000 0.477 184 G N 0.017 108.883 108.800 0.109 0.000 2.356 184 G HA2 0.388 4.348 3.960 -0.000 0.000 0.298 184 G HA3 0.388 4.348 3.960 -0.000 0.000 0.298 184 G C -1.513 173.605 174.900 0.363 0.000 1.145 184 G CA -0.380 44.834 45.100 0.190 0.000 0.850 184 G HN 0.567 nan 8.290 nan 0.000 0.487 185 W N 1.465 122.876 121.300 0.185 0.000 3.213 185 W HA 0.615 5.275 4.660 -0.000 0.000 0.318 185 W C -0.683 176.019 176.519 0.305 0.000 1.248 185 W CA -0.749 56.760 57.345 0.273 0.000 1.187 185 W CB 2.152 31.819 29.460 0.345 0.000 1.403 185 W HN 0.812 nan 8.180 nan 0.000 0.556 186 S N 3.643 118.829 115.700 -0.858 0.000 2.537 186 S HA 0.308 4.778 4.470 -0.000 0.000 0.270 186 S C 0.062 173.721 174.600 -1.568 0.000 1.142 186 S CA -0.376 57.326 58.200 -0.830 0.000 0.870 186 S CB 0.298 63.395 63.200 -0.173 0.000 1.112 186 S HN 0.932 nan 8.310 nan 0.000 0.466 187 F N 2.598 121.829 119.950 -1.199 0.000 2.546 187 F HA 0.238 4.765 4.527 -0.000 0.000 0.298 187 F C 1.128 176.634 175.800 -0.491 0.000 1.120 187 F CA 0.505 58.072 58.000 -0.721 0.000 1.456 187 F CB -0.755 38.106 39.000 -0.232 0.000 1.088 187 F HN 0.526 nan 8.300 nan 0.000 0.572 188 F N 1.628 120.890 119.950 -1.147 0.000 2.161 188 F HA -0.206 4.321 4.527 -0.000 0.000 0.300 188 F C 1.923 177.370 175.800 -0.590 0.000 1.089 188 F CA 1.488 58.959 58.000 -0.881 0.000 1.282 188 F CB -0.760 37.913 39.000 -0.545 0.000 1.010 188 F HN 0.004 nan 8.300 nan 0.000 0.485 189 N N 0.122 118.625 118.700 -0.327 0.000 2.513 189 N HA -0.143 4.597 4.740 -0.000 0.000 0.187 189 N C 1.246 176.613 175.510 -0.239 0.000 1.056 189 N CA 0.933 53.838 53.050 -0.242 0.000 0.907 189 N CB -0.337 38.022 38.487 -0.214 0.000 0.954 189 N HN 0.365 nan 8.380 nan 0.000 0.445 190 E N -0.254 119.729 120.200 -0.362 0.000 2.460 190 E HA 0.112 4.462 4.350 -0.000 0.000 0.200 190 E C 0.265 176.580 176.600 -0.476 0.000 1.011 190 E CA -0.129 56.002 56.400 -0.448 0.000 0.912 190 E CB 0.611 29.821 29.700 -0.816 0.000 0.953 190 E HN 0.220 nan 8.360 nan 0.000 0.494 191 I N 2.158 122.430 120.570 -0.497 0.000 2.517 191 I HA 0.032 4.202 4.170 -0.000 0.000 0.285 191 I C 1.432 177.336 176.117 -0.357 0.000 1.106 191 I CA 0.602 61.575 61.300 -0.544 0.000 1.402 191 I CB 0.335 37.762 38.000 -0.955 0.000 1.399 191 I HN -0.017 nan 8.210 nan 0.000 0.535 192 R N 3.834 124.156 120.500 -0.297 0.000 2.576 192 R HA 0.266 4.606 4.340 -0.000 0.000 0.237 192 R C -0.043 176.156 176.300 -0.169 0.000 0.917 192 R CA -0.144 55.845 56.100 -0.185 0.000 1.002 192 R CB 0.772 31.002 30.300 -0.117 0.000 1.428 192 R HN 0.608 nan 8.270 nan 0.000 0.603 193 N N 0.245 118.780 118.700 -0.274 0.000 2.697 193 N HA 0.044 4.784 4.740 -0.000 0.000 0.272 193 N C -0.317 175.066 175.510 -0.212 0.000 1.381 193 N CA -0.427 52.501 53.050 -0.204 0.000 0.797 193 N CB 1.752 40.091 38.487 -0.247 0.000 1.523 193 N HN -0.190 nan 8.380 nan 0.000 0.518 194 D N -0.135 120.274 120.400 0.015 0.000 2.144 194 D HA -0.159 4.481 4.640 -0.000 0.000 0.200 194 D C 1.686 178.094 176.300 0.181 0.000 0.978 194 D CA 1.463 55.575 54.000 0.186 0.000 0.833 194 D CB -0.033 40.909 40.800 0.238 0.000 0.961 194 D HN 0.653 nan 8.370 nan 0.000 0.470 195 Y N -0.845 119.523 120.300 0.114 0.000 2.574 195 Y HA 0.057 4.607 4.550 -0.000 0.000 0.294 195 Y C 1.232 177.179 175.900 0.078 0.000 1.142 195 Y CA 0.604 58.761 58.100 0.096 0.000 1.314 195 Y CB -0.478 38.013 38.460 0.052 0.000 0.991 195 Y HN -0.129 nan 8.280 nan 0.000 0.555 196 D N 0.122 120.275 120.400 -0.411 0.000 2.269 196 D HA -0.117 4.523 4.640 -0.000 0.000 0.208 196 D C 1.309 177.610 176.300 0.001 0.000 0.963 196 D CA 0.935 54.774 54.000 -0.269 0.000 0.864 196 D CB -0.419 40.184 40.800 -0.328 0.000 0.936 196 D HN 0.559 nan 8.370 nan 0.000 0.505 197 W N 1.270 122.639 121.300 0.115 0.000 2.353 197 W HA -0.186 4.474 4.660 -0.000 0.000 0.319 197 W C 2.700 179.309 176.519 0.149 0.000 1.207 197 W CA 0.610 58.057 57.345 0.171 0.000 1.291 197 W CB -0.481 29.052 29.460 0.122 0.000 1.159 197 W HN -0.047 nan 8.180 nan 0.000 0.478 198 Q N 1.181 121.180 119.800 0.332 0.000 2.084 198 Q HA -0.209 4.131 4.340 -0.000 0.000 0.202 198 Q C 2.185 178.251 176.000 0.110 0.000 0.978 198 Q CA 1.950 57.870 55.803 0.194 0.000 0.844 198 Q CB -0.541 28.287 28.738 0.151 0.000 0.898 198 Q HN 0.210 nan 8.270 nan 0.000 0.426 199 R N -1.197 119.336 120.500 0.055 0.000 2.113 199 R HA -0.211 4.129 4.340 -0.000 0.000 0.244 199 R C 1.375 177.513 176.300 -0.270 0.000 1.142 199 R CA 2.016 58.030 56.100 -0.143 0.000 0.953 199 R CB -0.330 29.805 30.300 -0.275 0.000 0.860 199 R HN 0.469 nan 8.270 nan 0.000 0.438 200 Y N -1.162 119.210 120.300 0.120 0.000 2.482 200 Y HA 0.248 4.798 4.550 -0.000 0.000 0.270 200 Y C 1.989 177.910 175.900 0.035 0.000 1.152 200 Y CA 0.230 58.412 58.100 0.136 0.000 1.292 200 Y CB 0.395 38.996 38.460 0.235 0.000 1.070 200 Y HN 0.202 nan 8.280 nan 0.000 0.528 201 A N -0.304 122.593 122.820 0.127 0.000 2.014 201 A HA -0.076 4.244 4.320 -0.000 0.000 0.218 201 A C 1.875 179.455 177.584 -0.006 0.000 1.163 201 A CA 0.974 53.004 52.037 -0.012 0.000 0.652 201 A CB -0.483 18.554 19.000 0.061 0.000 0.808 201 A HN 0.337 nan 8.150 nan 0.000 0.449 202 L N -0.078 121.161 121.223 0.028 0.000 2.291 202 L HA 0.006 4.346 4.340 -0.000 0.000 0.214 202 L C 2.298 179.189 176.870 0.034 0.000 1.120 202 L CA 1.786 56.638 54.840 0.019 0.000 0.799 202 L CB -0.741 41.322 42.059 0.007 0.000 0.925 202 L HN 0.337 nan 8.230 nan 0.000 0.446 203 S N -1.872 113.870 115.700 0.071 0.000 2.427 203 S HA -0.012 4.458 4.470 -0.000 0.000 0.224 203 S C 1.972 176.626 174.600 0.090 0.000 1.047 203 S CA 0.653 58.927 58.200 0.125 0.000 0.953 203 S CB 0.083 63.447 63.200 0.274 0.000 0.824 203 S HN 0.196 nan 8.310 nan 0.000 0.502 204 V N 1.632 121.552 119.914 0.010 0.000 2.358 204 V HA -0.004 4.116 4.120 -0.000 0.000 0.246 204 V C 0.767 176.826 176.094 -0.059 0.000 1.047 204 V CA 1.043 63.279 62.300 -0.106 0.000 1.035 204 V CB -0.360 31.189 31.823 -0.457 0.000 0.658 204 V HN 0.281 nan 8.190 nan 0.000 0.452 205 V N 3.320 123.205 119.914 -0.049 0.000 2.257 205 V HA 0.309 4.429 4.120 -0.000 0.000 0.269 205 V C -2.027 174.069 176.094 0.004 0.000 1.040 205 V CA -1.715 60.578 62.300 -0.012 0.000 0.813 205 V CB 0.805 32.625 31.823 -0.004 0.000 1.065 205 V HN 0.319 nan 8.190 nan 0.000 0.457 206 P HA 0.122 nan 4.420 nan 0.000 0.272 206 P C -0.155 177.135 177.300 -0.018 0.000 1.254 206 P CA -0.446 62.651 63.100 -0.005 0.000 0.795 206 P CB 0.790 32.479 31.700 -0.018 0.000 1.022 207 R N -0.293 120.184 120.500 -0.038 0.000 2.679 207 R HA 0.249 4.589 4.340 -0.000 0.000 0.268 207 R C 1.017 177.276 176.300 -0.069 0.000 1.044 207 R CA 0.211 56.280 56.100 -0.051 0.000 1.105 207 R CB -0.641 29.623 30.300 -0.059 0.000 0.989 207 R HN 0.622 nan 8.270 nan 0.000 0.447 208 G N 1.022 109.785 108.800 -0.062 0.000 2.527 208 G HA2 -0.000 3.960 3.960 -0.000 0.000 0.248 208 G HA3 -0.000 3.960 3.960 -0.000 0.000 0.248 208 G C 0.827 175.672 174.900 -0.092 0.000 1.231 208 G CA -0.380 44.681 45.100 -0.065 0.000 0.838 208 G HN 0.638 nan 8.290 nan 0.000 0.570 209 K N -0.285 120.066 120.400 -0.082 0.000 2.057 209 K HA -0.053 4.267 4.320 -0.000 0.000 0.206 209 K C 1.421 177.968 176.600 -0.088 0.000 1.050 209 K CA 1.563 57.798 56.287 -0.087 0.000 0.935 209 K CB -0.123 32.341 32.500 -0.060 0.000 0.715 209 K HN 0.628 nan 8.250 nan 0.000 0.439 210 T N -2.145 112.343 114.554 -0.110 0.000 2.950 210 T HA 0.191 4.540 4.350 -0.000 0.000 0.288 210 T C 0.453 175.046 174.700 -0.177 0.000 1.035 210 T CA -0.928 61.094 62.100 -0.130 0.000 1.028 210 T CB 1.497 70.280 68.868 -0.141 0.000 1.109 210 T HN -0.059 nan 8.240 nan 0.000 0.514 211 D N 0.293 120.594 120.400 -0.165 0.000 2.133 211 D HA -0.137 4.503 4.640 -0.000 0.000 0.195 211 D C 1.693 177.820 176.300 -0.289 0.000 0.997 211 D CA 1.519 55.410 54.000 -0.181 0.000 0.840 211 D CB -0.039 40.679 40.800 -0.137 0.000 0.947 211 D HN 0.859 nan 8.370 nan 0.000 0.452 212 E N 0.188 120.161 120.200 -0.378 0.000 2.106 212 E HA -0.110 4.239 4.350 -0.000 0.000 0.192 212 E C 1.965 177.910 176.600 -1.092 0.000 0.984 212 E CA 0.830 56.837 56.400 -0.654 0.000 0.806 212 E CB 0.056 29.384 29.700 -0.621 0.000 0.750 212 E HN 0.167 nan 8.360 nan 0.000 0.458 213 A N 0.952 123.298 122.820 -0.790 0.000 1.969 213 A HA -0.196 4.124 4.320 -0.000 0.000 0.218 213 A C 1.989 179.423 177.584 -0.250 0.000 1.169 213 A CA 1.676 53.390 52.037 -0.538 0.000 0.635 213 A CB -0.402 18.491 19.000 -0.179 0.000 0.810 213 A HN 0.256 nan 8.150 nan 0.000 0.445 214 E N 0.394 120.441 120.200 -0.254 0.000 2.152 214 E HA -0.160 4.190 4.350 -0.000 0.000 0.192 214 E C 1.875 178.359 176.600 -0.194 0.000 0.983 214 E CA 1.468 57.773 56.400 -0.159 0.000 0.818 214 E CB -0.310 29.306 29.700 -0.141 0.000 0.758 214 E HN 0.695 nan 8.360 nan 0.000 0.467 215 E N -0.720 119.287 120.200 -0.321 0.000 2.077 215 E HA -0.176 4.174 4.350 -0.000 0.000 0.193 215 E C 1.445 177.830 176.600 -0.358 0.000 0.989 215 E CA 1.281 57.446 56.400 -0.393 0.000 0.800 215 E CB -0.205 29.256 29.700 -0.398 0.000 0.746 215 E HN 0.371 nan 8.360 nan 0.000 0.452 216 W N 0.543 121.765 121.300 -0.130 0.000 2.355 216 W HA -0.046 4.614 4.660 -0.000 0.000 0.309 216 W C 2.534 179.068 176.519 0.025 0.000 1.206 216 W CA 0.922 58.289 57.345 0.037 0.000 1.284 216 W CB -1.359 28.162 29.460 0.102 0.000 1.145 216 W HN 0.206 nan 8.180 nan 0.000 0.502 217 A N 1.080 124.028 122.820 0.214 0.000 1.892 217 A HA -0.297 4.022 4.320 -0.000 0.000 0.218 217 A C 2.280 179.911 177.584 0.079 0.000 1.188 217 A CA 3.490 55.603 52.037 0.127 0.000 0.631 217 A CB -1.348 17.686 19.000 0.057 0.000 0.822 217 A HN 0.310 nan 8.150 nan 0.000 0.447 218 S N -1.168 114.519 115.700 -0.021 0.000 2.370 218 S HA -0.243 4.227 4.470 -0.000 0.000 0.226 218 S C 1.936 176.593 174.600 0.094 0.000 1.033 218 S CA 1.547 59.725 58.200 -0.036 0.000 1.011 218 S CB -1.007 62.094 63.200 -0.165 0.000 0.852 218 S HN 0.669 nan 8.310 nan 0.000 0.457 219 Y N 1.962 122.378 120.300 0.193 0.000 2.181 219 Y HA 0.007 4.557 4.550 -0.000 0.000 0.288 219 Y C 3.082 179.142 175.900 0.266 0.000 1.146 219 Y CA 0.335 58.606 58.100 0.286 0.000 1.164 219 Y CB -0.841 37.829 38.460 0.350 0.000 0.982 219 Y HN 0.476 nan 8.280 nan 0.000 0.515 220 G N 0.304 109.303 108.800 0.332 0.000 2.418 220 G HA2 -0.228 3.731 3.960 -0.000 0.000 0.217 220 G HA3 -0.228 3.731 3.960 -0.000 0.000 0.217 220 G C 1.638 176.625 174.900 0.146 0.000 1.158 220 G CA 0.677 45.894 45.100 0.196 0.000 0.771 220 G HN 0.304 nan 8.290 nan 0.000 0.545 221 R N -0.496 120.082 120.500 0.130 0.000 2.092 221 R HA 0.034 4.374 4.340 -0.000 0.000 0.231 221 R C 2.446 178.816 176.300 0.117 0.000 1.119 221 R CA 0.986 57.139 56.100 0.088 0.000 0.970 221 R CB -0.572 29.768 30.300 0.065 0.000 0.864 221 R HN 0.392 nan 8.270 nan 0.000 0.440 222 L N 1.334 122.660 121.223 0.172 0.000 1.989 222 L HA -0.158 4.182 4.340 -0.000 0.000 0.211 222 L C 2.102 179.091 176.870 0.198 0.000 1.071 222 L CA 1.590 56.528 54.840 0.163 0.000 0.749 222 L CB -0.721 41.443 42.059 0.175 0.000 0.890 222 L HN 0.109 nan 8.230 nan 0.000 0.431 223 L N -0.893 120.510 121.223 0.301 0.000 2.046 223 L HA -0.158 4.182 4.340 -0.000 0.000 0.208 223 L C 2.332 179.260 176.870 0.096 0.000 1.077 223 L CA 1.991 56.957 54.840 0.211 0.000 0.747 223 L CB -0.941 41.152 42.059 0.057 0.000 0.896 223 L HN 0.450 nan 8.230 nan 0.000 0.432 224 L N 0.345 121.615 121.223 0.078 0.000 1.994 224 L HA -0.194 4.146 4.340 -0.000 0.000 0.208 224 L C 2.852 179.758 176.870 0.059 0.000 1.071 224 L CA 2.362 57.230 54.840 0.047 0.000 0.745 224 L CB -0.862 41.186 42.059 -0.019 0.000 0.892 224 L HN 0.530 nan 8.230 nan 0.000 0.431 225 R N -1.134 119.405 120.500 0.064 0.000 2.096 225 R HA -0.116 4.223 4.340 -0.000 0.000 0.235 225 R C 1.817 178.030 176.300 -0.144 0.000 1.127 225 R CA 1.474 57.606 56.100 0.053 0.000 0.968 225 R CB -0.783 29.594 30.300 0.128 0.000 0.861 225 R HN 0.352 nan 8.270 nan 0.000 0.440 226 E N 0.679 120.822 120.200 -0.095 0.000 2.107 226 E HA -0.072 4.278 4.350 -0.000 0.000 0.191 226 E C 2.021 178.505 176.600 -0.194 0.000 0.982 226 E CA 1.701 57.999 56.400 -0.171 0.000 0.809 226 E CB -0.297 29.338 29.700 -0.107 0.000 0.756 226 E HN 0.419 nan 8.360 nan 0.000 0.459 227 T N 1.214 115.726 114.554 -0.071 0.000 2.777 227 T HA -0.060 4.290 4.350 -0.000 0.000 0.266 227 T C 1.933 176.701 174.700 0.113 0.000 1.040 227 T CA 1.386 63.517 62.100 0.053 0.000 1.141 227 T CB -0.131 68.841 68.868 0.173 0.000 0.868 227 T HN 0.244 nan 8.240 nan 0.000 0.444 228 A N 1.409 124.262 122.820 0.055 0.000 1.930 228 A HA -0.026 4.294 4.320 -0.000 0.000 0.217 228 A C 2.235 179.694 177.584 -0.208 0.000 1.175 228 A CA 1.485 53.602 52.037 0.134 0.000 0.627 228 A CB -0.444 18.662 19.000 0.177 0.000 0.815 228 A HN 0.403 nan 8.150 nan 0.000 0.443 229 K N -0.090 119.864 120.400 -0.743 0.000 2.026 229 K HA -0.200 4.120 4.320 -0.000 0.000 0.208 229 K C 2.209 178.603 176.600 -0.344 0.000 1.048 229 K CA 1.876 57.563 56.287 -0.999 0.000 0.929 229 K CB -0.172 31.744 32.500 -0.973 0.000 0.713 229 K HN 0.467 nan 8.250 nan 0.000 0.439 230 K N 0.771 121.027 120.400 -0.240 0.000 2.025 230 K HA -0.111 4.209 4.320 -0.000 0.000 0.207 230 K C 2.184 178.811 176.600 0.045 0.000 1.049 230 K CA 1.058 57.254 56.287 -0.153 0.000 0.933 230 K CB -0.080 32.194 32.500 -0.376 0.000 0.714 230 K HN 0.106 nan 8.250 nan 0.000 0.438 231 L N 0.609 121.947 121.223 0.192 0.000 2.013 231 L HA -0.225 4.115 4.340 -0.000 0.000 0.212 231 L C 2.654 179.588 176.870 0.106 0.000 1.073 231 L CA 1.451 56.433 54.840 0.237 0.000 0.753 231 L CB -0.615 41.630 42.059 0.308 0.000 0.890 231 L HN 0.341 nan 8.230 nan 0.000 0.432 232 A N -0.353 122.541 122.820 0.124 0.000 1.902 232 A HA -0.197 4.123 4.320 -0.000 0.000 0.217 232 A C 2.292 179.921 177.584 0.076 0.000 1.181 232 A CA 1.321 53.419 52.037 0.103 0.000 0.623 232 A CB -0.670 18.559 19.000 0.382 0.000 0.818 232 A HN 0.347 nan 8.150 nan 0.000 0.443 233 L N 0.281 121.542 121.223 0.064 0.000 1.989 233 L HA -0.168 4.172 4.340 -0.000 0.000 0.211 233 L C 2.368 179.258 176.870 0.032 0.000 1.071 233 L CA 2.405 57.268 54.840 0.039 0.000 0.749 233 L CB -0.506 41.550 42.059 -0.005 0.000 0.890 233 L HN 0.704 nan 8.230 nan 0.000 0.431 234 I N -2.624 117.971 120.570 0.041 0.000 3.528 234 I HA 0.130 4.300 4.170 -0.000 0.000 0.298 234 I C 1.189 177.329 176.117 0.037 0.000 1.281 234 I CA 0.731 62.060 61.300 0.048 0.000 1.269 234 I CB -0.865 37.188 38.000 0.088 0.000 1.013 234 I HN 0.423 nan 8.210 nan 0.000 0.512 235 G N 2.171 110.983 108.800 0.020 0.000 2.148 235 G HA2 -0.292 3.668 3.960 -0.000 0.000 0.254 235 G HA3 -0.292 3.668 3.960 -0.000 0.000 0.254 235 G C 0.419 175.299 174.900 -0.032 0.000 0.981 235 G CA 0.484 45.579 45.100 -0.007 0.000 0.670 235 G HN 0.773 nan 8.290 nan 0.000 0.528 236 T N -1.412 113.125 114.554 -0.029 0.000 3.444 236 T HA 0.601 4.951 4.350 -0.000 0.000 0.265 236 T C -1.924 172.690 174.700 -0.144 0.000 1.537 236 T CA -1.083 60.985 62.100 -0.053 0.000 1.530 236 T CB 1.872 70.751 68.868 0.017 0.000 0.958 236 T HN 0.198 nan 8.240 nan 0.000 0.684 237 P HA 0.178 nan 4.420 nan 0.000 0.238 237 P C -0.201 176.626 177.300 -0.787 0.000 1.729 237 P CA 0.148 62.672 63.100 -0.961 0.000 1.055 237 P CB -0.208 30.842 31.700 -1.083 0.000 1.980 238 S N 2.365 117.906 115.700 -0.265 0.000 2.437 238 S HA 0.352 4.822 4.470 -0.000 0.000 0.305 238 S C 1.346 176.094 174.600 0.247 0.000 1.109 238 S CA -0.715 57.480 58.200 -0.008 0.000 1.099 238 S CB 0.596 63.810 63.200 0.022 0.000 1.004 238 S HN -0.051 nan 8.310 nan 0.000 0.475 239 M N 3.972 123.752 119.600 0.300 0.000 2.229 239 M HA 0.046 4.526 4.480 -0.000 0.000 0.264 239 M C 1.978 178.462 176.300 0.307 0.000 1.063 239 M CA 1.328 56.854 55.300 0.376 0.000 1.114 239 M CB -1.225 31.564 32.600 0.315 0.000 1.387 239 M HN 0.718 nan 8.290 nan 0.000 0.420 240 R N -0.008 120.619 120.500 0.212 0.000 2.073 240 R HA -0.137 4.202 4.340 -0.000 0.000 0.234 240 R C 2.186 178.622 176.300 0.227 0.000 1.134 240 R CA 1.223 57.436 56.100 0.188 0.000 0.952 240 R CB -0.022 30.334 30.300 0.093 0.000 0.850 240 R HN 0.228 nan 8.270 nan 0.000 0.433 241 E N 0.425 120.733 120.200 0.180 0.000 2.077 241 E HA -0.179 4.171 4.350 -0.000 0.000 0.193 241 E C 1.894 178.664 176.600 0.283 0.000 0.989 241 E CA 0.820 57.322 56.400 0.170 0.000 0.800 241 E CB -0.286 29.506 29.700 0.154 0.000 0.746 241 E HN 0.143 nan 8.360 nan 0.000 0.452 242 L N 0.217 121.649 121.223 0.350 0.000 2.012 242 L HA -0.143 4.197 4.340 -0.000 0.000 0.210 242 L C 2.255 179.305 176.870 0.301 0.000 1.073 242 L CA 1.605 56.670 54.840 0.375 0.000 0.748 242 L CB -0.810 41.511 42.059 0.436 0.000 0.891 242 L HN 0.097 nan 8.230 nan 0.000 0.431 243 F N -0.657 119.397 119.950 0.173 0.000 2.171 243 F HA -0.239 4.288 4.527 -0.000 0.000 0.300 243 F C 2.603 178.450 175.800 0.079 0.000 1.090 243 F CA 1.876 59.945 58.000 0.116 0.000 1.293 243 F CB -0.286 38.782 39.000 0.112 0.000 1.013 243 F HN 0.453 nan 8.300 nan 0.000 0.486 244 H N -1.225 117.838 119.070 -0.011 0.000 2.293 244 H HA -0.213 4.343 4.556 -0.000 0.000 0.300 244 H C 2.087 177.261 175.328 -0.257 0.000 1.082 244 H CA 2.454 58.379 56.048 -0.206 0.000 1.308 244 H CB -1.035 28.569 29.762 -0.264 0.000 1.375 244 H HN 0.422 nan 8.280 nan 0.000 0.495 245 W N 0.564 121.610 121.300 -0.423 0.000 2.358 245 W HA -0.172 4.488 4.660 -0.000 0.000 0.303 245 W C 2.726 179.042 176.519 -0.337 0.000 1.208 245 W CA 1.827 58.901 57.345 -0.452 0.000 1.274 245 W CB -0.297 28.973 29.460 -0.316 0.000 1.138 245 W HN 0.423 nan 8.180 nan 0.000 0.515 246 T N -4.202 110.342 114.554 -0.018 0.000 3.055 246 T HA -0.049 4.301 4.350 -0.000 0.000 0.265 246 T C 1.294 175.841 174.700 -0.255 0.000 1.111 246 T CA 1.474 63.508 62.100 -0.109 0.000 1.118 246 T CB -0.379 68.458 68.868 -0.052 0.000 0.909 246 T HN 0.188 nan 8.240 nan 0.000 0.501 247 T N -2.300 112.005 114.554 -0.415 0.000 3.046 247 T HA 0.410 4.760 4.350 -0.000 0.000 0.270 247 T C 1.330 175.799 174.700 -0.385 0.000 0.920 247 T CA -0.404 61.422 62.100 -0.456 0.000 0.874 247 T CB 0.153 68.611 68.868 -0.684 0.000 1.214 247 T HN 0.228 nan 8.240 nan 0.000 0.536 248 I N 1.735 122.064 120.570 -0.400 0.000 3.443 248 I HA 0.481 4.651 4.170 -0.000 0.000 0.277 248 I C 1.663 177.617 176.117 -0.271 0.000 1.169 248 I CA 0.046 61.189 61.300 -0.261 0.000 1.419 248 I CB -1.254 36.685 38.000 -0.101 0.000 1.331 248 I HN 0.327 nan 8.210 nan 0.000 0.458 249 A N 2.522 125.026 122.820 -0.525 0.000 2.587 249 A HA 0.174 4.494 4.320 -0.000 0.000 0.233 249 A C 0.954 178.471 177.584 -0.110 0.000 1.049 249 A CA 0.485 52.292 52.037 -0.382 0.000 0.754 249 A CB -0.535 18.216 19.000 -0.414 0.000 0.977 249 A HN 0.547 nan 8.150 nan 0.000 0.509 250 T N 0.254 114.794 114.554 -0.023 0.000 2.903 250 T HA 0.177 4.527 4.350 -0.000 0.000 0.314 250 T C 0.888 175.659 174.700 0.118 0.000 1.078 250 T CA 0.240 62.370 62.100 0.050 0.000 1.114 250 T CB 0.068 68.969 68.868 0.056 0.000 0.987 250 T HN 0.451 nan 8.240 nan 0.000 0.548 251 F N 1.812 121.724 119.950 -0.062 0.000 2.063 251 F HA -0.163 4.364 4.527 -0.000 0.000 0.298 251 F C 1.952 177.739 175.800 -0.021 0.000 1.105 251 F CA 2.432 60.393 58.000 -0.065 0.000 1.215 251 F CB -0.711 38.243 39.000 -0.077 0.000 0.972 251 F HN 0.682 nan 8.300 nan 0.000 0.483 252 D N -0.210 120.284 120.400 0.158 0.000 2.084 252 D HA -0.172 4.468 4.640 -0.000 0.000 0.194 252 D C 2.002 178.344 176.300 0.070 0.000 0.990 252 D CA 1.599 55.649 54.000 0.083 0.000 0.826 252 D CB -0.688 40.166 40.800 0.090 0.000 0.971 252 D HN 0.262 nan 8.370 nan 0.000 0.453 253 D N 0.419 120.894 120.400 0.125 0.000 2.133 253 D HA -0.146 4.494 4.640 -0.000 0.000 0.195 253 D C 2.240 178.698 176.300 0.264 0.000 0.997 253 D CA 0.394 54.534 54.000 0.235 0.000 0.840 253 D CB -0.348 40.631 40.800 0.298 0.000 0.947 253 D HN 0.188 nan 8.370 nan 0.000 0.452 254 L N 0.779 122.110 121.223 0.180 0.000 1.994 254 L HA -0.193 4.147 4.340 -0.000 0.000 0.208 254 L C 2.660 179.480 176.870 -0.083 0.000 1.071 254 L CA 1.303 56.186 54.840 0.071 0.000 0.745 254 L CB -0.075 41.944 42.059 -0.065 0.000 0.892 254 L HN -0.034 nan 8.230 nan 0.000 0.431 255 R N -0.350 120.067 120.500 -0.137 0.000 2.119 255 R HA -0.197 4.143 4.340 -0.000 0.000 0.246 255 R C 2.100 178.339 176.300 -0.101 0.000 1.146 255 R CA 1.515 57.533 56.100 -0.136 0.000 0.962 255 R CB -0.987 29.243 30.300 -0.117 0.000 0.863 255 R HN 0.569 nan 8.270 nan 0.000 0.442 256 G N 0.673 109.443 108.800 -0.050 0.000 2.459 256 G HA2 -0.308 3.652 3.960 -0.000 0.000 0.217 256 G HA3 -0.308 3.652 3.960 -0.000 0.000 0.217 256 G C 1.237 176.070 174.900 -0.112 0.000 1.183 256 G CA 0.542 45.618 45.100 -0.040 0.000 0.776 256 G HN 0.309 nan 8.290 nan 0.000 0.552 257 F N 1.271 120.993 119.950 -0.380 0.000 2.250 257 F HA 0.041 4.568 4.527 -0.000 0.000 0.301 257 F C 2.284 177.818 175.800 -0.445 0.000 1.077 257 F CA 0.878 58.494 58.000 -0.641 0.000 1.348 257 F CB -0.116 37.965 39.000 -1.533 0.000 1.040 257 F HN 0.051 nan 8.300 nan 0.000 0.509 258 L N -0.174 120.782 121.223 -0.445 0.000 2.240 258 L HA -0.064 4.276 4.340 -0.000 0.000 0.211 258 L C 0.773 177.443 176.870 -0.333 0.000 1.106 258 L CA 0.314 54.904 54.840 -0.416 0.000 0.793 258 L CB -0.680 41.257 42.059 -0.203 0.000 0.927 258 L HN -0.034 nan 8.230 nan 0.000 0.446 259 E N 0.469 120.516 120.200 -0.255 0.000 2.694 259 E HA 0.026 4.376 4.350 -0.000 0.000 0.250 259 E C 1.021 177.492 176.600 -0.215 0.000 0.963 259 E CA 0.697 56.986 56.400 -0.185 0.000 0.949 259 E CB 0.181 29.802 29.700 -0.131 0.000 0.911 259 E HN 0.397 nan 8.360 nan 0.000 0.500 260 G N 2.827 111.524 108.800 -0.172 0.000 2.238 260 G HA2 -0.264 3.696 3.960 -0.000 0.000 0.217 260 G HA3 -0.264 3.696 3.960 -0.000 0.000 0.217 260 G C 0.460 175.254 174.900 -0.177 0.000 0.996 260 G CA 0.131 45.132 45.100 -0.164 0.000 0.632 260 G HN 0.671 nan 8.290 nan 0.000 0.503 261 T N -0.920 113.507 114.554 -0.212 0.000 2.936 261 T HA 0.705 5.054 4.350 -0.000 0.000 0.282 261 T C 1.651 176.261 174.700 -0.150 0.000 1.003 261 T CA -0.203 61.776 62.100 -0.201 0.000 1.005 261 T CB 1.623 70.335 68.868 -0.260 0.000 1.097 261 T HN 0.250 nan 8.240 nan 0.000 0.532 262 L N 0.472 121.617 121.223 -0.131 0.000 2.265 262 L HA 0.028 4.368 4.340 -0.000 0.000 0.215 262 L C 2.816 179.607 176.870 -0.133 0.000 1.117 262 L CA 1.243 56.016 54.840 -0.112 0.000 0.782 262 L CB -0.733 41.271 42.059 -0.091 0.000 0.914 262 L HN 0.916 nan 8.230 nan 0.000 0.441 263 A N -0.695 122.046 122.820 -0.133 0.000 2.238 263 A HA -0.103 4.217 4.320 -0.000 0.000 0.208 263 A C 2.123 179.651 177.584 -0.094 0.000 1.177 263 A CA 0.457 52.415 52.037 -0.132 0.000 0.804 263 A CB -0.309 18.694 19.000 0.004 0.000 0.823 263 A HN 0.447 nan 8.150 nan 0.000 0.482 264 E N 0.222 120.354 120.200 -0.112 0.000 2.021 264 E HA -0.195 4.155 4.350 -0.000 0.000 0.200 264 E C 1.816 178.371 176.600 -0.074 0.000 1.015 264 E CA 1.882 58.223 56.400 -0.098 0.000 0.824 264 E CB -0.097 29.539 29.700 -0.107 0.000 0.762 264 E HN 0.520 nan 8.360 nan 0.000 0.454 265 S N 0.097 115.744 115.700 -0.088 0.000 2.458 265 S HA 0.072 4.542 4.470 -0.000 0.000 0.223 265 S C 1.931 176.470 174.600 -0.102 0.000 1.019 265 S CA 0.078 58.232 58.200 -0.075 0.000 0.937 265 S CB -0.027 63.133 63.200 -0.067 0.000 0.788 265 S HN 0.241 nan 8.310 nan 0.000 0.511 266 L N 0.067 121.180 121.223 -0.185 0.000 2.081 266 L HA -0.093 4.247 4.340 -0.000 0.000 0.212 266 L C 1.023 177.694 176.870 -0.332 0.000 1.080 266 L CA 1.448 56.103 54.840 -0.309 0.000 0.754 266 L CB -0.458 41.306 42.059 -0.491 0.000 0.893 266 L HN 0.322 nan 8.230 nan 0.000 0.433 267 F N -0.213 119.672 119.950 -0.109 0.000 2.798 267 F HA 0.430 4.957 4.527 -0.000 0.000 0.291 267 F C 0.619 176.351 175.800 -0.113 0.000 1.174 267 F CA -0.564 57.353 58.000 -0.138 0.000 1.392 267 F CB 0.203 39.092 39.000 -0.185 0.000 0.966 267 F HN -0.016 nan 8.300 nan 0.000 0.509 268 A N -0.939 121.919 122.820 0.063 0.000 2.612 268 A HA 0.660 4.980 4.320 -0.000 0.000 0.293 268 A C 0.510 178.106 177.584 0.019 0.000 1.075 268 A CA -0.012 52.050 52.037 0.042 0.000 0.680 268 A CB 0.981 19.993 19.000 0.020 0.000 1.279 268 A HN 0.446 nan 8.150 nan 0.000 0.411 269 G N -0.664 108.151 108.800 0.025 0.000 2.201 269 G HA2 0.298 4.258 3.960 -0.000 0.000 0.212 269 G HA3 0.298 4.258 3.960 -0.000 0.000 0.212 269 G C 0.323 175.235 174.900 0.020 0.000 0.994 269 G CA 0.772 45.881 45.100 0.015 0.000 0.644 269 G HN 2.711 nan 8.290 nan 0.000 0.508 270 S N -1.579 114.140 115.700 0.031 0.000 2.615 270 S HA 0.561 5.031 4.470 -0.000 0.000 0.268 270 S C 0.505 175.131 174.600 0.044 0.000 1.146 270 S CA 0.167 58.386 58.200 0.031 0.000 0.818 270 S CB 0.724 63.939 63.200 0.025 0.000 1.111 270 S HN -0.009 nan 8.310 nan 0.000 0.465 271 N N 0.950 119.673 118.700 0.039 0.000 2.142 271 N HA -0.100 4.640 4.740 -0.000 0.000 0.186 271 N C 1.496 177.037 175.510 0.053 0.000 1.023 271 N CA 1.731 54.807 53.050 0.043 0.000 0.852 271 N CB -0.606 37.901 38.487 0.033 0.000 0.998 271 N HN 0.793 nan 8.380 nan 0.000 0.424 272 E N 1.482 121.711 120.200 0.049 0.000 2.049 272 E HA -0.123 4.227 4.350 -0.000 0.000 0.198 272 E C 1.828 178.452 176.600 0.040 0.000 1.007 272 E CA 1.616 58.048 56.400 0.053 0.000 0.809 272 E CB -0.465 29.266 29.700 0.051 0.000 0.749 272 E HN 0.307 nan 8.360 nan 0.000 0.450 273 A N -0.131 122.712 122.820 0.039 0.000 1.892 273 A HA -0.237 4.083 4.320 -0.000 0.000 0.218 273 A C 2.498 180.150 177.584 0.114 0.000 1.188 273 A CA 2.306 54.375 52.037 0.053 0.000 0.631 273 A CB -1.000 18.031 19.000 0.051 0.000 0.822 273 A HN 0.319 nan 8.150 nan 0.000 0.447 274 S N -0.712 115.065 115.700 0.127 0.000 2.368 274 S HA -0.168 4.302 4.470 -0.000 0.000 0.225 274 S C 2.018 176.723 174.600 0.174 0.000 1.030 274 S CA 1.591 59.921 58.200 0.217 0.000 0.999 274 S CB -0.259 63.060 63.200 0.198 0.000 0.844 274 S HN 0.677 nan 8.310 nan 0.000 0.459 275 K N 1.422 121.878 120.400 0.093 0.000 2.026 275 K HA -0.100 4.220 4.320 -0.000 0.000 0.208 275 K C 2.250 178.886 176.600 0.060 0.000 1.048 275 K CA 1.252 57.585 56.287 0.076 0.000 0.929 275 K CB -0.385 32.167 32.500 0.087 0.000 0.713 275 K HN 0.289 nan 8.250 nan 0.000 0.439 276 A N 1.897 124.701 122.820 -0.027 0.000 1.883 276 A HA -0.190 4.130 4.320 -0.000 0.000 0.217 276 A C 2.179 179.686 177.584 -0.129 0.000 1.186 276 A CA 1.447 53.316 52.037 -0.280 0.000 0.624 276 A CB -0.759 17.845 19.000 -0.660 0.000 0.822 276 A HN 0.438 nan 8.150 nan 0.000 0.444 277 L N -0.574 120.556 121.223 -0.155 0.000 2.042 277 L HA -0.178 4.162 4.340 -0.000 0.000 0.210 277 L C 2.651 179.388 176.870 -0.221 0.000 1.076 277 L CA 2.259 56.745 54.840 -0.590 0.000 0.749 277 L CB -0.706 40.971 42.059 -0.637 0.000 0.893 277 L HN 0.424 nan 8.230 nan 0.000 0.432 278 T N -0.834 113.753 114.554 0.054 0.000 2.788 278 T HA -0.161 4.189 4.350 -0.000 0.000 0.268 278 T C 2.029 176.711 174.700 -0.029 0.000 1.044 278 T CA 1.588 63.691 62.100 0.005 0.000 1.139 278 T CB -0.077 68.789 68.868 -0.004 0.000 0.867 278 T HN 0.364 nan 8.240 nan 0.000 0.454 279 S N 1.311 117.041 115.700 0.050 0.000 2.356 279 S HA -0.046 4.424 4.470 -0.000 0.000 0.223 279 S C 2.607 177.283 174.600 0.126 0.000 1.032 279 S CA 0.981 59.225 58.200 0.072 0.000 1.005 279 S CB -0.611 62.727 63.200 0.229 0.000 0.867 279 S HN 0.602 nan 8.310 nan 0.000 0.449 280 A N 2.512 125.398 122.820 0.109 0.000 1.883 280 A HA -0.174 4.146 4.320 -0.000 0.000 0.217 280 A C 2.178 179.752 177.584 -0.017 0.000 1.186 280 A CA 1.319 53.404 52.037 0.080 0.000 0.624 280 A CB -0.527 18.449 19.000 -0.040 0.000 0.822 280 A HN 0.320 nan 8.150 nan 0.000 0.444 281 R N -1.272 119.147 120.500 -0.136 0.000 2.094 281 R HA -0.164 4.176 4.340 -0.000 0.000 0.239 281 R C 2.008 178.230 176.300 -0.131 0.000 1.137 281 R CA 1.785 57.764 56.100 -0.200 0.000 0.943 281 R CB -1.104 29.003 30.300 -0.321 0.000 0.850 281 R HN 0.648 nan 8.270 nan 0.000 0.433 282 F N 0.742 120.648 119.950 -0.074 0.000 2.065 282 F HA -0.267 4.260 4.527 -0.000 0.000 0.298 282 F C 2.714 178.495 175.800 -0.032 0.000 1.112 282 F CA 1.178 59.132 58.000 -0.077 0.000 1.212 282 F CB -0.539 38.368 39.000 -0.155 0.000 0.975 282 F HN -0.204 nan 8.300 nan 0.000 0.476 283 V N -0.018 120.009 119.914 0.188 0.000 2.231 283 V HA -0.334 3.786 4.120 -0.000 0.000 0.248 283 V C 2.238 178.402 176.094 0.115 0.000 1.054 283 V CA 1.628 64.017 62.300 0.149 0.000 1.015 283 V CB -0.717 31.206 31.823 0.166 0.000 0.638 283 V HN 0.210 nan 8.190 nan 0.000 0.444 284 L N 0.961 122.234 121.223 0.082 0.000 2.131 284 L HA -0.127 4.213 4.340 -0.000 0.000 0.210 284 L C 2.708 179.653 176.870 0.126 0.000 1.092 284 L CA 2.324 57.206 54.840 0.070 0.000 0.759 284 L CB -1.365 40.708 42.059 0.024 0.000 0.903 284 L HN 0.607 nan 8.230 nan 0.000 0.435 285 S N -1.825 113.940 115.700 0.109 0.000 2.447 285 S HA -0.134 4.336 4.470 -0.000 0.000 0.233 285 S C 1.577 176.310 174.600 0.221 0.000 1.006 285 S CA 1.096 59.401 58.200 0.176 0.000 0.957 285 S CB -0.197 63.068 63.200 0.108 0.000 0.773 285 S HN 0.429 nan 8.310 nan 0.000 0.507 286 D N 1.021 121.522 120.400 0.168 0.000 2.216 286 D HA 0.103 4.743 4.640 -0.000 0.000 0.208 286 D C 1.951 178.324 176.300 0.122 0.000 0.960 286 D CA 0.726 54.806 54.000 0.133 0.000 0.861 286 D CB 0.058 40.920 40.800 0.104 0.000 0.985 286 D HN 0.311 nan 8.370 nan 0.000 0.493 287 K N 0.808 121.282 120.400 0.124 0.000 2.044 287 K HA 0.111 4.431 4.320 -0.000 0.000 0.204 287 K C 2.448 179.164 176.600 0.192 0.000 1.045 287 K CA 0.101 56.459 56.287 0.119 0.000 0.951 287 K CB -0.762 31.777 32.500 0.065 0.000 0.738 287 K HN 0.157 nan 8.250 nan 0.000 0.443 288 L N 1.303 122.637 121.223 0.185 0.000 2.043 288 L HA -0.190 4.150 4.340 -0.000 0.000 0.212 288 L C -0.637 176.351 176.870 0.196 0.000 1.075 288 L CA 1.479 56.456 54.840 0.229 0.000 0.752 288 L CB -1.862 40.407 42.059 0.350 0.000 0.891 288 L HN 0.084 nan 8.230 nan 0.000 0.432 289 P HA -0.267 nan 4.420 nan 0.000 0.218 289 P C 1.320 178.592 177.300 -0.047 0.000 1.132 289 P CA 1.678 64.720 63.100 -0.097 0.000 0.968 289 P CB -0.030 31.672 31.700 0.004 0.000 0.783 290 E N -2.043 118.167 120.200 0.016 0.000 2.265 290 E HA -0.190 4.160 4.350 -0.000 0.000 0.196 290 E C 2.049 178.628 176.600 -0.035 0.000 0.996 290 E CA 1.004 57.393 56.400 -0.019 0.000 0.832 290 E CB -0.807 28.849 29.700 -0.074 0.000 0.756 290 E HN 0.535 nan 8.360 nan 0.000 0.491 291 H N -0.319 118.762 119.070 0.018 0.000 2.357 291 H HA -0.024 4.532 4.556 -0.000 0.000 0.301 291 H C 2.217 177.609 175.328 0.106 0.000 1.082 291 H CA 1.180 57.296 56.048 0.112 0.000 1.342 291 H CB 0.214 30.061 29.762 0.141 0.000 1.389 291 H HN 0.005 nan 8.280 nan 0.000 0.511 292 V N 0.975 120.972 119.914 0.140 0.000 2.270 292 V HA -0.202 3.918 4.120 -0.000 0.000 0.245 292 V C 2.605 178.707 176.094 0.014 0.000 1.043 292 V CA 2.208 64.533 62.300 0.041 0.000 1.014 292 V CB -0.841 30.875 31.823 -0.179 0.000 0.645 292 V HN 0.574 nan 8.190 nan 0.000 0.447 293 T N -2.635 111.900 114.554 -0.032 0.000 3.227 293 T HA 0.033 4.383 4.350 -0.000 0.000 0.257 293 T C 0.715 175.384 174.700 -0.052 0.000 1.162 293 T CA 0.261 62.332 62.100 -0.048 0.000 1.051 293 T CB -0.345 68.487 68.868 -0.060 0.000 0.953 293 T HN 0.112 nan 8.240 nan 0.000 0.535 294 M N 2.676 122.295 119.600 0.032 0.000 2.185 294 M HA 0.352 4.832 4.480 -0.000 0.000 0.357 294 M C -2.465 173.893 176.300 0.097 0.000 1.260 294 M CA -2.560 52.795 55.300 0.091 0.000 1.124 294 M CB 0.866 33.619 32.600 0.255 0.000 1.600 294 M HN -0.045 nan 8.290 nan 0.000 0.467 295 P HA -0.020 nan 4.420 nan 0.000 0.262 295 P C -0.701 176.664 177.300 0.109 0.000 1.182 295 P CA 0.233 63.368 63.100 0.058 0.000 0.761 295 P CB 0.387 32.106 31.700 0.032 0.000 0.795 296 D N 1.709 122.159 120.400 0.083 0.000 2.304 296 D HA 0.466 5.106 4.640 -0.000 0.000 0.250 296 D C 0.493 176.849 176.300 0.093 0.000 1.107 296 D CA 0.553 54.610 54.000 0.095 0.000 0.885 296 D CB 1.247 42.084 40.800 0.063 0.000 1.192 296 D HN 0.445 nan 8.370 nan 0.000 0.436 297 G N 1.045 109.917 108.800 0.119 0.000 2.682 297 G HA2 0.226 4.186 3.960 -0.000 0.000 0.303 297 G HA3 0.226 4.186 3.960 -0.000 0.000 0.303 297 G C -0.623 174.348 174.900 0.119 0.000 1.341 297 G CA -0.606 44.565 45.100 0.118 0.000 0.784 297 G HN 0.418 nan 8.290 nan 0.000 0.497 298 D N -1.075 119.403 120.400 0.130 0.000 2.424 298 D HA 0.183 4.823 4.640 -0.000 0.000 0.220 298 D C 0.177 176.566 176.300 0.149 0.000 1.150 298 D CA -0.707 53.350 54.000 0.095 0.000 0.831 298 D CB -0.072 40.760 40.800 0.053 0.000 0.981 298 D HN 0.150 nan 8.370 nan 0.000 0.500 299 F N 1.916 121.938 119.950 0.120 0.000 2.572 299 F HA 0.290 4.817 4.527 -0.000 0.000 0.370 299 F C 0.182 176.132 175.800 0.251 0.000 1.103 299 F CA 0.096 58.194 58.000 0.163 0.000 1.286 299 F CB 0.973 40.061 39.000 0.148 0.000 1.105 299 F HN -0.094 nan 8.300 nan 0.000 0.583 300 S N 6.948 122.267 115.700 -0.634 0.000 2.707 300 S HA 0.389 4.859 4.470 -0.000 0.000 0.303 300 S C 0.874 175.175 174.600 -0.498 0.000 1.132 300 S CA -0.859 57.156 58.200 -0.309 0.000 1.046 300 S CB 0.562 63.665 63.200 -0.161 0.000 1.004 300 S HN 0.728 nan 8.310 nan 0.000 0.483 301 I N 4.432 124.931 120.570 -0.118 0.000 2.335 301 I HA -0.190 3.980 4.170 -0.000 0.000 0.251 301 I C 2.594 178.817 176.117 0.176 0.000 1.129 301 I CA 1.030 62.370 61.300 0.065 0.000 1.402 301 I CB -0.172 37.937 38.000 0.181 0.000 1.069 301 I HN 0.649 nan 8.210 nan 0.000 0.424 302 R N 0.354 120.911 120.500 0.095 0.000 2.062 302 R HA -0.099 4.241 4.340 -0.000 0.000 0.231 302 R C 2.556 178.891 176.300 0.058 0.000 1.136 302 R CA 1.743 57.902 56.100 0.099 0.000 0.948 302 R CB -0.465 29.869 30.300 0.058 0.000 0.845 302 R HN 0.249 nan 8.270 nan 0.000 0.430 303 S N 0.463 116.158 115.700 -0.008 0.000 2.359 303 S HA -0.206 4.264 4.470 -0.000 0.000 0.224 303 S C 1.402 176.011 174.600 0.014 0.000 1.035 303 S CA 1.354 59.540 58.200 -0.023 0.000 1.018 303 S CB -0.425 62.733 63.200 -0.069 0.000 0.876 303 S HN 0.481 nan 8.310 nan 0.000 0.448 304 W N 2.453 123.640 121.300 -0.189 0.000 2.321 304 W HA -0.135 4.525 4.660 -0.000 0.000 0.306 304 W C 1.633 178.151 176.519 -0.002 0.000 1.217 304 W CA 1.213 58.504 57.345 -0.090 0.000 1.257 304 W CB -0.520 28.889 29.460 -0.085 0.000 1.145 304 W HN 0.203 nan 8.180 nan 0.000 0.509 305 L N 0.284 121.512 121.223 0.009 0.000 2.131 305 L HA -0.190 4.150 4.340 -0.000 0.000 0.210 305 L C 2.280 179.030 176.870 -0.200 0.000 1.092 305 L CA 1.708 56.436 54.840 -0.187 0.000 0.759 305 L CB -0.769 41.321 42.059 0.052 0.000 0.903 305 L HN 0.069 nan 8.230 nan 0.000 0.435 306 E N -0.763 119.371 120.200 -0.109 0.000 2.216 306 E HA -0.128 4.221 4.350 -0.000 0.000 0.192 306 E C 0.488 177.021 176.600 -0.112 0.000 0.988 306 E CA 0.166 56.514 56.400 -0.087 0.000 0.834 306 E CB 0.041 29.717 29.700 -0.040 0.000 0.772 306 E HN 0.241 nan 8.360 nan 0.000 0.479 307 D N 0.990 121.303 120.400 -0.145 0.000 2.352 307 D HA 0.026 4.666 4.640 -0.000 0.000 0.245 307 D C -1.873 174.320 176.300 -0.177 0.000 1.224 307 D CA -2.339 51.586 54.000 -0.125 0.000 0.879 307 D CB 1.227 41.980 40.800 -0.079 0.000 1.057 307 D HN -0.180 nan 8.370 nan 0.000 0.491 308 P HA -0.105 nan 4.420 nan 0.000 0.215 308 P C 0.864 178.108 177.300 -0.094 0.000 1.153 308 P CA 0.808 63.839 63.100 -0.115 0.000 0.853 308 P CB 0.243 31.901 31.700 -0.070 0.000 0.788 309 N N -0.427 118.241 118.700 -0.055 0.000 2.520 309 N HA -0.037 4.703 4.740 -0.000 0.000 0.185 309 N C 1.242 176.754 175.510 0.003 0.000 1.068 309 N CA 0.700 53.741 53.050 -0.015 0.000 0.911 309 N CB -0.595 37.895 38.487 0.006 0.000 0.961 309 N HN 0.154 nan 8.380 nan 0.000 0.446 310 G N -0.361 108.408 108.800 -0.053 0.000 2.614 310 G HA2 0.353 4.313 3.960 -0.000 0.000 0.239 310 G HA3 0.353 4.313 3.960 -0.000 0.000 0.239 310 G C 0.770 175.709 174.900 0.065 0.000 1.240 310 G CA 0.012 45.114 45.100 0.002 0.000 0.842 310 G HN 0.185 nan 8.290 nan 0.000 0.584 311 G N 0.081 109.063 108.800 0.304 0.000 2.975 311 G HA2 0.355 4.314 3.960 -0.000 0.000 0.159 311 G HA3 0.355 4.314 3.960 -0.000 0.000 0.159 311 G C 0.052 175.224 174.900 0.454 0.000 1.525 311 G CA -0.642 44.644 45.100 0.311 0.000 1.075 311 G HN 0.596 nan 8.290 nan 0.000 0.574 312 N N -0.382 118.607 118.700 0.482 0.000 2.430 312 N HA 0.384 5.124 4.740 -0.000 0.000 0.298 312 N C -1.227 174.526 175.510 0.406 0.000 1.130 312 N CA -0.470 52.867 53.050 0.479 0.000 0.894 312 N CB 2.426 41.055 38.487 0.236 0.000 1.209 312 N HN 0.220 nan 8.380 nan 0.000 0.503 313 L N 1.873 123.192 121.223 0.160 0.000 2.287 313 L HA 0.469 4.809 4.340 -0.000 0.000 0.287 313 L C -1.223 175.492 176.870 -0.257 0.000 1.022 313 L CA -0.632 54.057 54.840 -0.251 0.000 0.814 313 L CB 0.266 41.846 42.059 -0.798 0.000 1.217 313 L HN 0.380 nan 8.230 nan 0.000 0.420 314 F N 5.702 125.572 119.950 -0.133 0.000 2.361 314 F HA 0.411 4.938 4.527 -0.000 0.000 0.364 314 F C 0.314 176.055 175.800 -0.098 0.000 1.117 314 F CA -0.403 57.560 58.000 -0.062 0.000 1.071 314 F CB 1.203 40.177 39.000 -0.042 0.000 1.188 314 F HN 0.240 nan 8.300 nan 0.000 0.464 315 I N 4.055 124.691 120.570 0.110 0.000 2.291 315 I HA 0.228 4.398 4.170 -0.000 0.000 0.290 315 I C 0.279 176.614 176.117 0.364 0.000 1.050 315 I CA -0.216 61.176 61.300 0.153 0.000 1.245 315 I CB 0.563 38.685 38.000 0.203 0.000 1.405 315 I HN 0.589 nan 8.210 nan 0.000 0.478 316 T N 2.294 117.046 114.554 0.328 0.000 2.940 316 T HA 0.790 5.140 4.350 -0.000 0.000 0.288 316 T C -1.010 173.984 174.700 0.489 0.000 1.045 316 T CA -0.678 61.592 62.100 0.284 0.000 1.018 316 T CB 2.125 71.062 68.868 0.115 0.000 1.151 316 T HN 0.675 nan 8.240 nan 0.000 0.529 317 W N -0.667 120.676 121.300 0.071 0.000 3.173 317 W HA 0.609 5.269 4.660 -0.000 0.000 0.313 317 W C -1.769 174.690 176.519 -0.099 0.000 1.228 317 W CA -1.197 56.160 57.345 0.020 0.000 1.185 317 W CB 0.854 30.346 29.460 0.054 0.000 1.390 317 W HN 0.764 nan 8.180 nan 0.000 0.568 318 R N 2.303 122.728 120.500 -0.125 0.000 2.308 318 R HA 0.153 4.493 4.340 -0.000 0.000 0.305 318 R C 1.016 177.286 176.300 -0.049 0.000 1.053 318 R CA -0.460 55.474 56.100 -0.276 0.000 0.957 318 R CB 1.442 31.492 30.300 -0.418 0.000 1.022 318 R HN 0.762 nan 8.270 nan 0.000 0.461 319 E N 1.613 121.743 120.200 -0.117 0.000 2.136 319 E HA -0.296 4.054 4.350 -0.000 0.000 0.202 319 E C 1.175 177.820 176.600 0.074 0.000 1.019 319 E CA 2.068 58.492 56.400 0.040 0.000 0.819 319 E CB 0.060 29.742 29.700 -0.030 0.000 0.739 319 E HN 0.653 nan 8.360 nan 0.000 0.458 320 D N -0.159 120.237 120.400 -0.007 0.000 2.310 320 D HA -0.179 4.461 4.640 -0.000 0.000 0.212 320 D C 1.460 177.753 176.300 -0.012 0.000 0.965 320 D CA 1.020 55.011 54.000 -0.016 0.000 0.879 320 D CB -0.157 40.613 40.800 -0.051 0.000 0.921 320 D HN 0.263 nan 8.370 nan 0.000 0.510 321 M N -0.223 119.383 119.600 0.011 0.000 2.356 321 M HA 0.294 4.773 4.480 -0.000 0.000 0.262 321 M C 1.836 178.153 176.300 0.028 0.000 1.097 321 M CA 0.069 55.359 55.300 -0.017 0.000 0.991 321 M CB 1.136 33.673 32.600 -0.105 0.000 1.450 321 M HN 0.082 nan 8.290 nan 0.000 0.495 322 G N 2.903 111.773 108.800 0.116 0.000 2.553 322 G HA2 -0.213 3.746 3.960 -0.000 0.000 0.218 322 G HA3 -0.213 3.746 3.960 -0.000 0.000 0.218 322 G C -0.658 174.181 174.900 -0.101 0.000 1.195 322 G CA 0.847 45.959 45.100 0.019 0.000 0.779 322 G HN 0.317 nan 8.290 nan 0.000 0.577 323 P HA -0.075 nan 4.420 nan 0.000 0.218 323 P C 1.889 179.150 177.300 -0.064 0.000 1.148 323 P CA 1.979 65.048 63.100 -0.052 0.000 0.822 323 P CB -0.150 31.537 31.700 -0.022 0.000 0.784 324 A N 0.020 122.804 122.820 -0.059 0.000 1.929 324 A HA -0.035 4.284 4.320 -0.000 0.000 0.216 324 A C 2.238 179.779 177.584 -0.071 0.000 1.176 324 A CA 1.013 53.021 52.037 -0.047 0.000 0.628 324 A CB -1.295 17.683 19.000 -0.038 0.000 0.816 324 A HN 0.166 nan 8.150 nan 0.000 0.444 325 L N -1.150 119.999 121.223 -0.123 0.000 2.592 325 L HA 0.138 4.478 4.340 -0.000 0.000 0.227 325 L C 2.261 178.956 176.870 -0.291 0.000 1.127 325 L CA -0.022 54.706 54.840 -0.188 0.000 0.884 325 L CB -0.258 41.697 42.059 -0.174 0.000 1.065 325 L HN 0.414 nan 8.230 nan 0.000 0.457 326 R N 1.618 121.972 120.500 -0.243 0.000 2.097 326 R HA -0.161 4.179 4.340 -0.000 0.000 0.236 326 R C -0.445 175.737 176.300 -0.197 0.000 1.135 326 R CA 2.072 58.031 56.100 -0.235 0.000 0.934 326 R CB -0.975 29.236 30.300 -0.148 0.000 0.846 326 R HN 0.214 nan 8.270 nan 0.000 0.431 327 P HA -0.165 nan 4.420 nan 0.000 0.223 327 P C 1.403 178.606 177.300 -0.162 0.000 1.151 327 P CA 1.167 64.211 63.100 -0.095 0.000 0.787 327 P CB -0.036 31.653 31.700 -0.018 0.000 0.788 328 L N -0.681 120.338 121.223 -0.341 0.000 2.102 328 L HA -0.008 4.332 4.340 -0.000 0.000 0.202 328 L C 2.605 179.007 176.870 -0.781 0.000 1.076 328 L CA 1.036 55.449 54.840 -0.712 0.000 0.761 328 L CB -0.479 41.065 42.059 -0.857 0.000 0.921 328 L HN -0.184 nan 8.230 nan 0.000 0.444 329 I N -0.602 119.659 120.570 -0.514 0.000 2.286 329 I HA -0.285 3.885 4.170 -0.000 0.000 0.248 329 I C 2.446 178.487 176.117 -0.128 0.000 1.115 329 I CA 1.105 62.252 61.300 -0.254 0.000 1.392 329 I CB -0.198 37.606 38.000 -0.326 0.000 1.065 329 I HN 0.190 nan 8.210 nan 0.000 0.418 330 S N 0.590 116.200 115.700 -0.150 0.000 2.423 330 S HA -0.088 4.382 4.470 -0.000 0.000 0.231 330 S C 2.156 176.756 174.600 -0.001 0.000 1.014 330 S CA 1.151 59.322 58.200 -0.048 0.000 0.965 330 S CB -0.178 62.991 63.200 -0.051 0.000 0.785 330 S HN 0.548 nan 8.310 nan 0.000 0.495 331 A N 0.931 123.713 122.820 -0.063 0.000 1.874 331 A HA -0.018 4.302 4.320 -0.000 0.000 0.214 331 A C 1.819 179.471 177.584 0.113 0.000 1.189 331 A CA 0.735 52.793 52.037 0.035 0.000 0.615 331 A CB -0.727 18.310 19.000 0.062 0.000 0.830 331 A HN 0.586 nan 8.150 nan 0.000 0.443 332 W N 0.308 121.571 121.300 -0.061 0.000 2.358 332 W HA -0.111 4.549 4.660 -0.000 0.000 0.303 332 W C 2.306 178.815 176.519 -0.018 0.000 1.208 332 W CA 1.210 58.471 57.345 -0.141 0.000 1.274 332 W CB -1.285 28.017 29.460 -0.264 0.000 1.138 332 W HN 0.181 nan 8.180 nan 0.000 0.515 333 V N 0.336 120.394 119.914 0.240 0.000 2.343 333 V HA -0.302 3.818 4.120 -0.000 0.000 0.247 333 V C 1.830 178.028 176.094 0.172 0.000 1.051 333 V CA 2.440 64.850 62.300 0.182 0.000 1.036 333 V CB -1.082 30.829 31.823 0.148 0.000 0.654 333 V HN 0.033 nan 8.190 nan 0.000 0.451 334 D N -0.307 120.194 120.400 0.168 0.000 2.144 334 D HA -0.140 4.500 4.640 -0.000 0.000 0.200 334 D C 2.023 178.449 176.300 0.210 0.000 0.978 334 D CA 1.127 55.223 54.000 0.161 0.000 0.833 334 D CB 0.027 40.910 40.800 0.138 0.000 0.961 334 D HN 0.192 nan 8.370 nan 0.000 0.470 335 V N -0.084 120.010 119.914 0.299 0.000 2.287 335 V HA -0.240 3.880 4.120 -0.000 0.000 0.248 335 V C 2.526 178.823 176.094 0.337 0.000 1.053 335 V CA 1.322 63.880 62.300 0.431 0.000 1.027 335 V CB -0.423 31.696 31.823 0.492 0.000 0.646 335 V HN 0.190 nan 8.190 nan 0.000 0.447 336 V N -1.094 118.975 119.914 0.258 0.000 2.392 336 V HA -0.308 3.812 4.120 -0.000 0.000 0.249 336 V C 2.513 178.714 176.094 0.179 0.000 1.059 336 V CA 2.244 64.678 62.300 0.224 0.000 1.051 336 V CB -0.790 31.152 31.823 0.198 0.000 0.658 336 V HN 0.657 nan 8.190 nan 0.000 0.455 337 C N -0.029 119.361 119.300 0.149 0.000 2.429 337 C HA -0.137 4.323 4.460 -0.000 0.000 0.277 337 C C 2.938 177.977 174.990 0.082 0.000 1.262 337 C CA 1.759 60.834 59.018 0.095 0.000 1.733 337 C CB -1.206 26.580 27.740 0.076 0.000 2.010 337 C HN 0.680 nan 8.230 nan 0.000 0.483 338 T N 0.072 114.683 114.554 0.096 0.000 2.894 338 T HA -0.079 4.271 4.350 -0.000 0.000 0.258 338 T C 1.967 176.728 174.700 0.100 0.000 1.043 338 T CA 1.466 63.598 62.100 0.054 0.000 1.141 338 T CB -0.359 68.481 68.868 -0.048 0.000 0.873 338 T HN 0.487 nan 8.240 nan 0.000 0.449 339 S N 2.327 118.138 115.700 0.185 0.000 2.374 339 S HA -0.130 4.340 4.470 -0.000 0.000 0.227 339 S C 2.176 176.863 174.600 0.144 0.000 1.037 339 S CA 1.574 59.904 58.200 0.217 0.000 1.024 339 S CB -0.629 62.742 63.200 0.284 0.000 0.861 339 S HN 0.733 nan 8.310 nan 0.000 0.456 340 I N -0.445 120.197 120.570 0.119 0.000 2.567 340 I HA -0.053 4.117 4.170 -0.000 0.000 0.257 340 I C 1.577 177.726 176.117 0.052 0.000 1.184 340 I CA 1.181 62.527 61.300 0.076 0.000 1.451 340 I CB -0.487 37.549 38.000 0.059 0.000 1.089 340 I HN 0.062 nan 8.210 nan 0.000 0.441 341 L N 0.320 121.577 121.223 0.057 0.000 2.551 341 L HA 0.036 4.376 4.340 -0.000 0.000 0.228 341 L C 2.059 178.960 176.870 0.051 0.000 1.153 341 L CA 1.227 56.092 54.840 0.041 0.000 0.851 341 L CB -0.772 41.309 42.059 0.035 0.000 0.959 341 L HN 0.303 nan 8.230 nan 0.000 0.451 342 S N -1.739 114.005 115.700 0.073 0.000 2.520 342 S HA 0.289 4.759 4.470 -0.000 0.000 0.219 342 S C 0.751 175.385 174.600 0.057 0.000 1.028 342 S CA -0.466 57.783 58.200 0.082 0.000 0.921 342 S CB 0.271 63.546 63.200 0.125 0.000 0.844 342 S HN 0.122 nan 8.310 nan 0.000 0.495 343 L N 3.947 125.196 121.223 0.044 0.000 2.514 343 L HA 0.127 4.467 4.340 -0.000 0.000 0.280 343 L C -1.735 175.141 176.870 0.009 0.000 1.223 343 L CA -1.149 53.704 54.840 0.021 0.000 0.864 343 L CB -0.239 41.825 42.059 0.007 0.000 1.118 343 L HN 0.117 nan 8.230 nan 0.000 0.494 344 P HA -0.015 nan 4.420 nan 0.000 0.272 344 P C -0.632 176.661 177.300 -0.013 0.000 1.230 344 P CA -0.503 62.595 63.100 -0.003 0.000 0.788 344 P CB 0.535 32.231 31.700 -0.006 0.000 0.949 345 E N 1.137 121.330 120.200 -0.013 0.000 2.562 345 E HA -0.037 4.312 4.350 -0.000 0.000 0.241 345 E C -0.472 176.114 176.600 -0.024 0.000 1.136 345 E CA 0.656 57.045 56.400 -0.019 0.000 0.952 345 E CB -0.608 29.082 29.700 -0.016 0.000 0.975 345 E HN 0.258 nan 8.360 nan 0.000 0.494 346 E N 5.374 125.556 120.200 -0.030 0.000 2.502 346 E HA 0.320 4.670 4.350 -0.000 0.000 0.261 346 E C -2.425 174.150 176.600 -0.042 0.000 0.974 346 E CA -2.059 54.320 56.400 -0.035 0.000 0.795 346 E CB 1.167 30.844 29.700 -0.038 0.000 1.385 346 E HN 0.254 nan 8.360 nan 0.000 0.400 347 P HA -0.100 nan 4.420 nan 0.000 0.216 347 P C 0.481 177.751 177.300 -0.051 0.000 1.150 347 P CA 1.080 64.153 63.100 -0.046 0.000 0.837 347 P CB 0.316 31.993 31.700 -0.039 0.000 0.786 348 K N -0.850 119.524 120.400 -0.044 0.000 2.504 348 K HA -0.032 4.288 4.320 -0.000 0.000 0.195 348 K C 1.077 177.647 176.600 -0.051 0.000 1.036 348 K CA 0.046 56.307 56.287 -0.043 0.000 0.984 348 K CB -0.095 32.385 32.500 -0.034 0.000 0.788 348 K HN 0.105 nan 8.250 nan 0.000 0.488 349 R N 1.535 121.998 120.500 -0.060 0.000 2.543 349 R HA 0.093 4.432 4.340 -0.000 0.000 0.277 349 R C -0.670 175.575 176.300 -0.092 0.000 1.074 349 R CA 0.240 56.297 56.100 -0.071 0.000 1.076 349 R CB 0.511 30.766 30.300 -0.074 0.000 0.993 349 R HN -0.048 nan 8.270 nan 0.000 0.459 350 R N 4.736 125.182 120.500 -0.091 0.000 2.539 350 R HA 0.313 4.653 4.340 -0.000 0.000 0.295 350 R C -1.380 174.850 176.300 -0.117 0.000 1.138 350 R CA -0.586 55.429 56.100 -0.142 0.000 0.936 350 R CB 1.449 31.697 30.300 -0.087 0.000 1.182 350 R HN 0.440 nan 8.270 nan 0.000 0.459 351 L N 3.800 124.913 121.223 -0.182 0.000 2.343 351 L HA 0.518 4.858 4.340 -0.000 0.000 0.278 351 L C -1.246 175.546 176.870 -0.130 0.000 0.996 351 L CA -0.723 54.076 54.840 -0.068 0.000 0.831 351 L CB 1.125 43.166 42.059 -0.031 0.000 1.232 351 L HN 0.580 nan 8.230 nan 0.000 0.413 352 W N 5.382 126.698 121.300 0.026 0.000 2.381 352 W HA 0.482 5.142 4.660 -0.000 0.000 0.329 352 W C -0.302 176.197 176.519 -0.034 0.000 1.157 352 W CA -0.328 56.979 57.345 -0.064 0.000 1.240 352 W CB 1.193 30.607 29.460 -0.077 0.000 1.199 352 W HN 0.234 nan 8.180 nan 0.000 0.579 353 L N 4.107 125.385 121.223 0.092 0.000 2.353 353 L HA 0.427 4.767 4.340 -0.000 0.000 0.270 353 L C -1.524 175.366 176.870 0.034 0.000 1.003 353 L CA -0.782 54.124 54.840 0.110 0.000 0.862 353 L CB 0.211 42.317 42.059 0.078 0.000 1.221 353 L HN 0.300 nan 8.230 nan 0.000 0.430 354 F N 5.352 125.423 119.950 0.202 0.000 2.404 354 F HA 0.401 4.927 4.527 -0.000 0.000 0.358 354 F C 0.407 176.303 175.800 0.161 0.000 1.120 354 F CA -0.199 57.905 58.000 0.173 0.000 1.144 354 F CB 1.032 40.098 39.000 0.110 0.000 1.133 354 F HN 0.240 nan 8.300 nan 0.000 0.495 355 I N 4.813 125.569 120.570 0.309 0.000 2.405 355 I HA 0.111 4.281 4.170 -0.000 0.000 0.280 355 I C 0.817 177.079 176.117 0.242 0.000 1.027 355 I CA -0.501 60.953 61.300 0.256 0.000 1.161 355 I CB 1.163 39.287 38.000 0.207 0.000 1.300 355 I HN 0.600 nan 8.210 nan 0.000 0.463 356 D N 4.698 125.246 120.400 0.246 0.000 2.116 356 D HA -0.231 4.409 4.640 -0.000 0.000 0.193 356 D C 0.585 176.982 176.300 0.161 0.000 0.998 356 D CA 1.600 55.718 54.000 0.197 0.000 0.836 356 D CB 0.398 41.306 40.800 0.180 0.000 0.951 356 D HN 0.439 nan 8.370 nan 0.000 0.449 357 E N -0.674 119.630 120.200 0.174 0.000 2.460 357 E HA 0.214 4.564 4.350 -0.000 0.000 0.249 357 E C 0.308 176.982 176.600 0.124 0.000 0.962 357 E CA -0.527 55.952 56.400 0.131 0.000 0.787 357 E CB 0.930 30.708 29.700 0.130 0.000 1.341 357 E HN 0.007 nan 8.360 nan 0.000 0.407 358 L N 3.835 125.116 121.223 0.097 0.000 2.081 358 L HA -0.037 4.302 4.340 -0.000 0.000 0.212 358 L C 1.744 178.695 176.870 0.136 0.000 1.080 358 L CA 2.662 57.566 54.840 0.106 0.000 0.754 358 L CB -0.302 41.779 42.059 0.038 0.000 0.893 358 L HN 0.640 nan 8.230 nan 0.000 0.433 359 A N -2.330 120.554 122.820 0.107 0.000 2.168 359 A HA -0.039 4.281 4.320 -0.000 0.000 0.215 359 A C 2.260 179.897 177.584 0.089 0.000 1.152 359 A CA 1.274 53.381 52.037 0.117 0.000 0.716 359 A CB -0.489 18.560 19.000 0.082 0.000 0.794 359 A HN 0.463 nan 8.150 nan 0.000 0.465 360 S N -0.411 115.338 115.700 0.082 0.000 2.562 360 S HA 0.251 4.721 4.470 -0.000 0.000 0.221 360 S C 0.718 175.325 174.600 0.012 0.000 0.975 360 S CA 0.025 58.256 58.200 0.053 0.000 0.918 360 S CB -0.268 62.981 63.200 0.081 0.000 0.772 360 S HN 0.469 nan 8.310 nan 0.000 0.531 361 L N 0.966 122.211 121.223 0.036 0.000 2.472 361 L HA 0.402 4.742 4.340 -0.000 0.000 0.256 361 L C 0.838 177.700 176.870 -0.014 0.000 1.111 361 L CA -0.799 54.043 54.840 0.003 0.000 0.800 361 L CB 0.409 42.500 42.059 0.054 0.000 1.286 361 L HN 0.106 nan 8.230 nan 0.000 0.479 362 E N 0.004 120.178 120.200 -0.044 0.000 2.602 362 E HA 0.137 4.487 4.350 -0.000 0.000 0.255 362 E C -0.643 175.840 176.600 -0.194 0.000 1.268 362 E CA -0.766 55.572 56.400 -0.104 0.000 1.007 362 E CB 0.659 30.311 29.700 -0.080 0.000 1.208 362 E HN 0.269 nan 8.360 nan 0.000 0.584 363 K N 1.880 122.072 120.400 -0.346 0.000 2.237 363 K HA 0.097 4.417 4.320 -0.000 0.000 0.283 363 K C -0.446 176.052 176.600 -0.171 0.000 1.080 363 K CA -0.087 55.823 56.287 -0.628 0.000 0.965 363 K CB -0.374 31.806 32.500 -0.533 0.000 1.098 363 K HN 0.295 nan 8.250 nan 0.000 0.434 364 L N 3.828 125.094 121.223 0.072 0.000 2.477 364 L HA 0.016 4.356 4.340 -0.000 0.000 0.272 364 L C 1.485 178.445 176.870 0.149 0.000 1.157 364 L CA -0.344 54.585 54.840 0.147 0.000 0.889 364 L CB 0.941 43.124 42.059 0.207 0.000 1.158 364 L HN 0.740 nan 8.230 nan 0.000 0.473 365 A N 2.367 125.236 122.820 0.082 0.000 2.067 365 A HA -0.071 4.249 4.320 -0.000 0.000 0.219 365 A C 1.922 179.542 177.584 0.060 0.000 1.158 365 A CA 1.450 53.525 52.037 0.063 0.000 0.661 365 A CB -0.075 18.946 19.000 0.034 0.000 0.801 365 A HN 0.768 nan 8.150 nan 0.000 0.452 366 S N -1.130 114.609 115.700 0.065 0.000 2.578 366 S HA 0.228 4.698 4.470 -0.000 0.000 0.228 366 S C 1.453 176.075 174.600 0.038 0.000 1.022 366 S CA -0.211 58.016 58.200 0.044 0.000 0.967 366 S CB -0.036 63.186 63.200 0.037 0.000 0.914 366 S HN 0.473 nan 8.310 nan 0.000 0.515 367 L N 2.001 123.261 121.223 0.061 0.000 2.021 367 L HA -0.258 4.082 4.340 -0.000 0.000 0.215 367 L C 2.644 179.491 176.870 -0.038 0.000 1.074 367 L CA 1.902 56.756 54.840 0.023 0.000 0.760 367 L CB -0.705 41.395 42.059 0.068 0.000 0.889 367 L HN 0.423 nan 8.230 nan 0.000 0.433 368 A N -0.198 122.614 122.820 -0.014 0.000 1.859 368 A HA -0.302 4.018 4.320 -0.000 0.000 0.217 368 A C 1.895 179.450 177.584 -0.050 0.000 1.198 368 A CA 2.226 54.240 52.037 -0.039 0.000 0.629 368 A CB -0.884 18.113 19.000 -0.004 0.000 0.830 368 A HN 0.526 nan 8.150 nan 0.000 0.446 369 D N -0.168 120.217 120.400 -0.024 0.000 2.149 369 D HA -0.084 4.556 4.640 -0.000 0.000 0.198 369 D C 2.226 178.505 176.300 -0.035 0.000 0.990 369 D CA 1.465 55.450 54.000 -0.024 0.000 0.839 369 D CB -0.386 40.408 40.800 -0.010 0.000 0.948 369 D HN 0.456 nan 8.370 nan 0.000 0.460 370 A N 0.902 123.695 122.820 -0.045 0.000 1.902 370 A HA -0.118 4.202 4.320 -0.000 0.000 0.217 370 A C 2.347 179.865 177.584 -0.110 0.000 1.181 370 A CA 0.852 52.854 52.037 -0.058 0.000 0.623 370 A CB -0.754 18.213 19.000 -0.055 0.000 0.818 370 A HN 0.215 nan 8.150 nan 0.000 0.443 371 L N -1.030 120.068 121.223 -0.207 0.000 2.465 371 L HA -0.056 4.284 4.340 -0.000 0.000 0.224 371 L C 2.127 178.976 176.870 -0.034 0.000 1.145 371 L CA 1.250 55.888 54.840 -0.336 0.000 0.834 371 L CB -0.217 41.522 42.059 -0.533 0.000 0.944 371 L HN 0.340 nan 8.230 nan 0.000 0.451 372 T N -1.544 112.989 114.554 -0.035 0.000 2.978 372 T HA 0.073 4.423 4.350 -0.000 0.000 0.248 372 T C 1.302 175.996 174.700 -0.009 0.000 1.018 372 T CA 0.386 62.478 62.100 -0.012 0.000 1.026 372 T CB 0.428 69.282 68.868 -0.025 0.000 1.032 372 T HN 0.192 nan 8.240 nan 0.000 0.485 373 K N 0.659 121.052 120.400 -0.012 0.000 2.506 373 K HA 0.331 4.651 4.320 -0.000 0.000 0.204 373 K C 1.466 178.058 176.600 -0.013 0.000 1.045 373 K CA -0.165 56.113 56.287 -0.015 0.000 1.074 373 K CB 0.968 33.459 32.500 -0.015 0.000 0.842 373 K HN 0.139 nan 8.250 nan 0.000 0.514 374 G N 0.780 109.578 108.800 -0.003 0.000 3.042 374 G HA2 -0.080 3.879 3.960 -0.000 0.000 0.212 374 G HA3 -0.080 3.879 3.960 -0.000 0.000 0.212 374 G C 1.203 176.083 174.900 -0.034 0.000 1.166 374 G CA -0.169 44.926 45.100 -0.007 0.000 0.767 374 G HN 0.112 nan 8.290 nan 0.000 0.546 375 R N 0.608 121.077 120.500 -0.050 0.000 2.081 375 R HA -0.026 4.314 4.340 -0.000 0.000 0.235 375 R C 2.429 178.682 176.300 -0.078 0.000 1.131 375 R CA 1.465 57.512 56.100 -0.087 0.000 0.960 375 R CB -0.115 30.130 30.300 -0.090 0.000 0.856 375 R HN 0.272 nan 8.270 nan 0.000 0.436 376 K N 0.096 120.462 120.400 -0.056 0.000 2.063 376 K HA -0.117 4.203 4.320 -0.000 0.000 0.208 376 K C 2.024 178.593 176.600 -0.052 0.000 1.048 376 K CA 1.548 57.805 56.287 -0.049 0.000 0.928 376 K CB -0.165 32.315 32.500 -0.035 0.000 0.713 376 K HN 0.159 nan 8.250 nan 0.000 0.442 377 A N 0.579 123.371 122.820 -0.048 0.000 2.167 377 A HA 0.133 4.453 4.320 -0.000 0.000 0.214 377 A C 1.474 179.012 177.584 -0.075 0.000 1.151 377 A CA 0.936 52.944 52.037 -0.048 0.000 0.735 377 A CB -0.412 18.571 19.000 -0.028 0.000 0.802 377 A HN 0.456 nan 8.150 nan 0.000 0.467 378 G N -1.171 107.569 108.800 -0.099 0.000 2.149 378 G HA2 -0.188 3.772 3.960 -0.000 0.000 0.235 378 G HA3 -0.188 3.772 3.960 -0.000 0.000 0.235 378 G C 0.039 174.823 174.900 -0.194 0.000 1.018 378 G CA 0.190 45.200 45.100 -0.150 0.000 0.728 378 G HN 0.587 nan 8.290 nan 0.000 0.508 379 L N 0.140 121.282 121.223 -0.135 0.000 2.410 379 L HA 0.498 4.838 4.340 -0.000 0.000 0.273 379 L C 0.509 177.285 176.870 -0.157 0.000 1.152 379 L CA -0.049 54.723 54.840 -0.113 0.000 0.855 379 L CB 0.355 42.401 42.059 -0.021 0.000 1.129 379 L HN 0.297 nan 8.230 nan 0.000 0.463 380 R N 4.126 124.457 120.500 -0.281 0.000 2.422 380 R HA 0.458 4.798 4.340 -0.000 0.000 0.307 380 R C -1.176 175.072 176.300 -0.085 0.000 1.004 380 R CA -0.613 55.258 56.100 -0.382 0.000 0.882 380 R CB 2.004 31.531 30.300 -1.289 0.000 1.164 380 R HN 0.361 nan 8.270 nan 0.000 0.489 381 V N 3.707 123.737 119.914 0.195 0.000 2.427 381 V HA 0.437 4.557 4.120 -0.000 0.000 0.286 381 V C -0.136 176.074 176.094 0.193 0.000 1.034 381 V CA -0.773 61.560 62.300 0.056 0.000 0.893 381 V CB 1.920 33.599 31.823 -0.239 0.000 0.982 381 V HN 0.399 nan 8.190 nan 0.000 0.452 382 V N 3.883 123.868 119.914 0.119 0.000 2.443 382 V HA 0.836 4.956 4.120 -0.000 0.000 0.293 382 V C 0.068 176.294 176.094 0.221 0.000 1.021 382 V CA -0.339 62.072 62.300 0.185 0.000 0.848 382 V CB 1.646 33.475 31.823 0.010 0.000 0.998 382 V HN 1.040 nan 8.190 nan 0.000 0.424 383 A N 3.584 126.543 122.820 0.232 0.000 2.386 383 A HA 0.929 5.249 4.320 -0.000 0.000 0.311 383 A C 0.121 177.728 177.584 0.039 0.000 1.068 383 A CA -0.190 51.923 52.037 0.128 0.000 0.743 383 A CB 1.755 20.794 19.000 0.066 0.000 1.258 383 A HN 1.016 nan 8.150 nan 0.000 0.429 384 G N -0.200 108.642 108.800 0.071 0.000 2.425 384 G HA2 0.599 4.559 3.960 -0.000 0.000 0.302 384 G HA3 0.599 4.559 3.960 -0.000 0.000 0.302 384 G C -1.230 173.673 174.900 0.005 0.000 1.159 384 G CA -0.267 44.862 45.100 0.048 0.000 0.865 384 G HN 0.955 nan 8.290 nan 0.000 0.515 385 L N -0.075 121.143 121.223 -0.008 0.000 2.549 385 L HA 0.377 4.717 4.340 -0.000 0.000 0.259 385 L C 0.558 177.426 176.870 -0.003 0.000 0.934 385 L CA -0.420 54.408 54.840 -0.020 0.000 0.865 385 L CB 2.084 44.096 42.059 -0.079 0.000 1.352 385 L HN 0.729 nan 8.230 nan 0.000 0.410 386 Q N 0.371 120.177 119.800 0.009 0.000 2.389 386 Q HA 0.370 4.710 4.340 -0.000 0.000 0.198 386 Q C -0.296 175.708 176.000 0.007 0.000 0.967 386 Q CA 0.159 55.970 55.803 0.013 0.000 0.863 386 Q CB 0.565 29.316 28.738 0.022 0.000 0.987 386 Q HN 0.629 nan 8.270 nan 0.000 0.557 387 S N -0.110 115.596 115.700 0.010 0.000 2.501 387 S HA 0.159 4.629 4.470 -0.000 0.000 0.301 387 S C 0.680 175.282 174.600 0.004 0.000 1.096 387 S CA -0.435 57.770 58.200 0.007 0.000 1.063 387 S CB 1.631 64.838 63.200 0.012 0.000 1.042 387 S HN 0.449 nan 8.310 nan 0.000 0.494 388 T N -0.363 114.191 114.554 -0.000 0.000 2.995 388 T HA -0.097 4.253 4.350 -0.000 0.000 0.269 388 T C 1.877 176.584 174.700 0.012 0.000 1.091 388 T CA 1.186 63.285 62.100 -0.002 0.000 1.128 388 T CB -0.423 68.441 68.868 -0.007 0.000 0.891 388 T HN 0.567 nan 8.240 nan 0.000 0.492 389 S N 1.353 117.062 115.700 0.014 0.000 2.423 389 S HA -0.133 4.337 4.470 -0.000 0.000 0.231 389 S C 2.097 176.714 174.600 0.029 0.000 1.014 389 S CA 0.516 58.727 58.200 0.019 0.000 0.965 389 S CB -0.524 62.685 63.200 0.015 0.000 0.785 389 S HN 0.597 nan 8.310 nan 0.000 0.495 390 Q N 0.523 120.342 119.800 0.032 0.000 1.941 390 Q HA 0.018 4.358 4.340 -0.000 0.000 0.201 390 Q C 2.228 178.271 176.000 0.072 0.000 0.982 390 Q CA 1.417 57.247 55.803 0.044 0.000 0.839 390 Q CB -0.459 28.305 28.738 0.043 0.000 0.904 390 Q HN 0.444 nan 8.270 nan 0.000 0.427 391 L N 1.588 122.860 121.223 0.082 0.000 2.051 391 L HA -0.270 4.070 4.340 -0.000 0.000 0.214 391 L C 1.537 178.510 176.870 0.172 0.000 1.076 391 L CA 1.954 56.882 54.840 0.146 0.000 0.758 391 L CB -0.509 41.582 42.059 0.053 0.000 0.890 391 L HN 0.206 nan 8.230 nan 0.000 0.433 392 D N -0.835 119.621 120.400 0.094 0.000 2.097 392 D HA -0.211 4.429 4.640 -0.000 0.000 0.195 392 D C 1.882 178.226 176.300 0.074 0.000 0.989 392 D CA 1.517 55.565 54.000 0.080 0.000 0.827 392 D CB -0.220 40.607 40.800 0.044 0.000 0.966 392 D HN 0.461 nan 8.370 nan 0.000 0.456 393 D N -0.598 119.835 120.400 0.055 0.000 2.219 393 D HA -0.091 4.549 4.640 -0.000 0.000 0.205 393 D C 1.858 178.166 176.300 0.014 0.000 0.970 393 D CA 0.488 54.506 54.000 0.029 0.000 0.851 393 D CB 0.314 41.126 40.800 0.021 0.000 0.943 393 D HN -0.002 nan 8.370 nan 0.000 0.488 394 V N -0.594 119.340 119.914 0.034 0.000 2.374 394 V HA -0.124 3.995 4.120 -0.000 0.000 0.241 394 V C 1.536 177.526 176.094 -0.173 0.000 1.034 394 V CA 1.183 63.442 62.300 -0.069 0.000 1.037 394 V CB -0.576 31.212 31.823 -0.060 0.000 0.682 394 V HN 0.204 nan 8.190 nan 0.000 0.463 395 Y N 0.647 120.950 120.300 0.005 0.000 2.510 395 Y HA 0.510 5.060 4.550 -0.000 0.000 0.273 395 Y C 1.350 177.250 175.900 -0.000 0.000 1.119 395 Y CA 0.506 58.610 58.100 0.006 0.000 1.286 395 Y CB 0.012 38.481 38.460 0.016 0.000 1.061 395 Y HN 0.369 nan 8.280 nan 0.000 0.542 396 G N -0.512 108.363 108.800 0.126 0.000 2.712 396 G HA2 -0.163 3.797 3.960 -0.000 0.000 0.686 396 G HA3 -0.163 3.797 3.960 -0.000 0.000 0.686 396 G C 0.387 175.333 174.900 0.077 0.000 1.181 396 G CA -0.533 44.608 45.100 0.070 0.000 0.762 396 G HN -0.022 nan 8.290 nan 0.000 0.641 397 V N 2.537 122.479 119.914 0.047 0.000 2.220 397 V HA -0.256 3.864 4.120 -0.000 0.000 0.250 397 V C 3.079 179.195 176.094 0.036 0.000 1.056 397 V CA 2.748 65.070 62.300 0.037 0.000 1.016 397 V CB -0.576 31.260 31.823 0.022 0.000 0.639 397 V HN 0.803 nan 8.190 nan 0.000 0.446 398 K N -0.122 120.296 120.400 0.031 0.000 2.020 398 K HA -0.259 4.060 4.320 -0.000 0.000 0.212 398 K C 2.154 178.775 176.600 0.036 0.000 1.050 398 K CA 2.136 58.439 56.287 0.027 0.000 0.929 398 K CB -0.562 31.951 32.500 0.021 0.000 0.714 398 K HN 0.633 nan 8.250 nan 0.000 0.443 399 E N 0.160 120.394 120.200 0.057 0.000 2.077 399 E HA -0.123 4.227 4.350 -0.000 0.000 0.193 399 E C 1.835 178.466 176.600 0.052 0.000 0.989 399 E CA 1.189 57.635 56.400 0.077 0.000 0.800 399 E CB -0.060 29.725 29.700 0.141 0.000 0.746 399 E HN 0.325 nan 8.360 nan 0.000 0.452 400 A N 0.567 123.427 122.820 0.068 0.000 1.969 400 A HA -0.245 4.075 4.320 -0.000 0.000 0.218 400 A C 2.116 179.690 177.584 -0.016 0.000 1.169 400 A CA 1.610 53.649 52.037 0.003 0.000 0.635 400 A CB -0.554 18.481 19.000 0.058 0.000 0.810 400 A HN 0.385 nan 8.150 nan 0.000 0.445 401 Q N -0.633 119.172 119.800 0.009 0.000 2.050 401 Q HA -0.165 4.175 4.340 -0.000 0.000 0.202 401 Q C 2.006 178.015 176.000 0.014 0.000 0.980 401 Q CA 2.155 57.964 55.803 0.011 0.000 0.840 401 Q CB -0.290 28.456 28.738 0.015 0.000 0.898 401 Q HN 0.593 nan 8.270 nan 0.000 0.424 402 T N 1.628 116.189 114.554 0.012 0.000 2.746 402 T HA -0.167 4.183 4.350 -0.000 0.000 0.267 402 T C 1.721 176.430 174.700 0.015 0.000 1.039 402 T CA 1.177 63.285 62.100 0.013 0.000 1.142 402 T CB -0.300 68.574 68.868 0.010 0.000 0.866 402 T HN 0.196 nan 8.240 nan 0.000 0.444 403 L N 1.278 122.491 121.223 -0.016 0.000 1.970 403 L HA -0.048 4.292 4.340 -0.000 0.000 0.212 403 L C 2.543 179.510 176.870 0.162 0.000 1.071 403 L CA 1.773 56.608 54.840 -0.009 0.000 0.751 403 L CB -0.530 41.405 42.059 -0.208 0.000 0.889 403 L HN 0.075 nan 8.230 nan 0.000 0.432 404 R N -0.749 119.806 120.500 0.091 0.000 2.096 404 R HA -0.173 4.167 4.340 -0.000 0.000 0.240 404 R C 2.166 178.595 176.300 0.215 0.000 1.139 404 R CA 1.464 57.638 56.100 0.124 0.000 0.952 404 R CB -0.767 29.539 30.300 0.010 0.000 0.854 404 R HN 0.542 nan 8.270 nan 0.000 0.436 405 A N 0.350 123.243 122.820 0.122 0.000 2.131 405 A HA -0.139 4.181 4.320 -0.000 0.000 0.220 405 A C 1.995 179.650 177.584 0.117 0.000 1.158 405 A CA 1.619 53.717 52.037 0.101 0.000 0.665 405 A CB -0.273 18.761 19.000 0.055 0.000 0.795 405 A HN 0.242 nan 8.150 nan 0.000 0.460 406 S N -1.123 114.655 115.700 0.130 0.000 2.522 406 S HA 0.149 4.619 4.470 -0.000 0.000 0.227 406 S C -0.143 174.456 174.600 -0.001 0.000 0.986 406 S CA 0.094 58.309 58.200 0.024 0.000 0.929 406 S CB -0.245 62.895 63.200 -0.100 0.000 0.769 406 S HN 0.464 nan 8.310 nan 0.000 0.529 407 F N 2.432 122.425 119.950 0.071 0.000 2.335 407 F HA 0.395 4.922 4.527 -0.000 0.000 0.365 407 F C 1.323 177.176 175.800 0.088 0.000 1.122 407 F CA -0.946 57.122 58.000 0.114 0.000 1.151 407 F CB 0.685 39.731 39.000 0.077 0.000 1.282 407 F HN -0.183 nan 8.300 nan 0.000 0.513 408 R N 0.505 121.122 120.500 0.195 0.000 2.092 408 R HA 0.017 4.357 4.340 -0.000 0.000 0.231 408 R C 0.381 176.776 176.300 0.159 0.000 1.119 408 R CA 0.436 56.617 56.100 0.135 0.000 0.970 408 R CB -0.465 29.875 30.300 0.066 0.000 0.864 408 R HN 0.361 nan 8.270 nan 0.000 0.440 409 S N 1.062 116.884 115.700 0.203 0.000 2.541 409 S HA 0.463 4.933 4.470 -0.000 0.000 0.283 409 S C -0.431 174.268 174.600 0.164 0.000 1.196 409 S CA -0.690 57.635 58.200 0.208 0.000 1.062 409 S CB 1.644 65.033 63.200 0.315 0.000 1.009 409 S HN 0.065 nan 8.310 nan 0.000 0.502 410 L N 3.453 124.725 121.223 0.081 0.000 2.370 410 L HA 0.816 5.155 4.340 -0.000 0.000 0.266 410 L C -1.453 175.411 176.870 -0.010 0.000 1.002 410 L CA -0.502 54.363 54.840 0.042 0.000 0.818 410 L CB 1.909 43.988 42.059 0.033 0.000 1.325 410 L HN 0.451 nan 8.230 nan 0.000 0.418 411 V N 4.667 124.584 119.914 0.005 0.000 2.577 411 V HA 0.537 4.657 4.120 -0.000 0.000 0.303 411 V C -0.923 175.190 176.094 0.032 0.000 1.042 411 V CA -0.625 61.677 62.300 0.003 0.000 0.872 411 V CB 2.076 33.902 31.823 0.006 0.000 0.998 411 V HN 0.524 nan 8.190 nan 0.000 0.423 412 V N 6.518 126.475 119.914 0.072 0.000 2.357 412 V HA 0.377 4.497 4.120 -0.000 0.000 0.284 412 V C 0.487 176.654 176.094 0.122 0.000 1.018 412 V CA -0.182 62.172 62.300 0.090 0.000 0.841 412 V CB 1.671 33.550 31.823 0.092 0.000 0.991 412 V HN 0.766 nan 8.190 nan 0.000 0.437 413 L N 4.118 125.387 121.223 0.076 0.000 2.653 413 L HA 0.445 4.785 4.340 -0.000 0.000 0.231 413 L C 1.139 178.048 176.870 0.064 0.000 1.153 413 L CA 0.412 55.288 54.840 0.061 0.000 0.933 413 L CB -0.135 41.947 42.059 0.039 0.000 1.175 413 L HN 0.986 nan 8.230 nan 0.000 0.473 414 G N -0.006 108.846 108.800 0.085 0.000 3.277 414 G HA2 -0.060 3.900 3.960 -0.000 0.000 0.684 414 G HA3 -0.060 3.900 3.960 -0.000 0.000 0.684 414 G C 0.019 174.945 174.900 0.043 0.000 0.923 414 G CA -0.355 44.789 45.100 0.072 0.000 0.779 414 G HN 0.397 nan 8.290 nan 0.000 0.508 415 G N 0.138 108.958 108.800 0.033 0.000 2.795 415 G HA2 0.855 4.815 3.960 -0.000 0.000 0.267 415 G HA3 0.855 4.815 3.960 -0.000 0.000 0.267 415 G C 0.455 175.367 174.900 0.019 0.000 1.362 415 G CA 0.591 45.704 45.100 0.023 0.000 1.048 415 G HN 1.751 nan 8.290 nan 0.000 0.547 416 S N -1.499 114.210 115.700 0.014 0.000 2.601 416 S HA 0.177 4.647 4.470 -0.000 0.000 0.271 416 S C 1.714 176.320 174.600 0.010 0.000 1.305 416 S CA -0.321 57.886 58.200 0.012 0.000 1.022 416 S CB 0.756 63.962 63.200 0.010 0.000 0.940 416 S HN 0.621 nan 8.310 nan 0.000 0.525 417 R N 1.380 121.885 120.500 0.009 0.000 2.276 417 R HA 0.016 4.356 4.340 -0.000 0.000 0.203 417 R C 1.521 177.824 176.300 0.005 0.000 1.017 417 R CA 1.272 57.376 56.100 0.007 0.000 1.010 417 R CB -1.109 29.194 30.300 0.006 0.000 0.900 417 R HN 0.689 nan 8.270 nan 0.000 0.469 418 T N -2.306 112.252 114.554 0.006 0.000 3.118 418 T HA -0.067 4.283 4.350 -0.000 0.000 0.260 418 T C 0.307 175.009 174.700 0.005 0.000 1.139 418 T CA 0.507 62.610 62.100 0.005 0.000 1.085 418 T CB 0.071 68.942 68.868 0.005 0.000 0.934 418 T HN 0.154 nan 8.240 nan 0.000 0.518 419 D N 2.125 122.528 120.400 0.005 0.000 2.517 419 D HA 0.295 4.935 4.640 -0.000 0.000 0.301 419 D C -1.497 174.805 176.300 0.003 0.000 1.202 419 D CA -2.550 51.453 54.000 0.005 0.000 0.910 419 D CB 1.375 42.178 40.800 0.006 0.000 1.021 419 D HN 0.035 nan 8.370 nan 0.000 0.499 420 P HA -0.157 nan 4.420 nan 0.000 0.222 420 P C 1.064 178.363 177.300 -0.002 0.000 1.147 420 P CA 0.713 63.812 63.100 -0.000 0.000 0.790 420 P CB 0.591 32.290 31.700 -0.001 0.000 0.780 421 K N -0.285 120.115 120.400 -0.001 0.000 2.002 421 K HA -0.062 4.258 4.320 -0.000 0.000 0.209 421 K C 2.250 178.847 176.600 -0.004 0.000 1.048 421 K CA 1.835 58.121 56.287 -0.002 0.000 0.930 421 K CB -0.881 31.619 32.500 -0.000 0.000 0.714 421 K HN 0.116 nan 8.250 nan 0.000 0.438 422 T N 1.808 116.361 114.554 -0.002 0.000 2.746 422 T HA -0.089 4.261 4.350 -0.000 0.000 0.267 422 T C 1.562 176.257 174.700 -0.007 0.000 1.039 422 T CA 1.250 63.348 62.100 -0.004 0.000 1.142 422 T CB -0.260 68.608 68.868 -0.000 0.000 0.866 422 T HN 0.204 nan 8.240 nan 0.000 0.444 423 N N 1.058 119.755 118.700 -0.006 0.000 2.223 423 N HA -0.113 4.627 4.740 -0.000 0.000 0.185 423 N C 1.942 177.441 175.510 -0.019 0.000 1.016 423 N CA 1.119 54.163 53.050 -0.010 0.000 0.863 423 N CB -0.315 38.169 38.487 -0.005 0.000 0.983 423 N HN 0.475 nan 8.380 nan 0.000 0.429 424 E N 1.500 121.690 120.200 -0.015 0.000 2.047 424 E HA -0.127 4.223 4.350 -0.000 0.000 0.191 424 E C 1.051 177.638 176.600 -0.022 0.000 0.987 424 E CA 1.342 57.731 56.400 -0.019 0.000 0.799 424 E CB -0.198 29.495 29.700 -0.013 0.000 0.752 424 E HN 0.148 nan 8.360 nan 0.000 0.449 425 D N -0.218 120.172 120.400 -0.017 0.000 2.104 425 D HA -0.166 4.474 4.640 -0.000 0.000 0.194 425 D C 1.854 178.139 176.300 -0.025 0.000 0.994 425 D CA 1.251 55.240 54.000 -0.018 0.000 0.830 425 D CB -0.210 40.582 40.800 -0.013 0.000 0.959 425 D HN 0.261 nan 8.370 nan 0.000 0.452 426 M N 0.343 119.926 119.600 -0.028 0.000 2.117 426 M HA -0.092 4.388 4.480 -0.000 0.000 0.262 426 M C 2.343 178.605 176.300 -0.064 0.000 1.065 426 M CA 0.832 56.109 55.300 -0.038 0.000 1.114 426 M CB -1.149 31.434 32.600 -0.029 0.000 1.361 426 M HN -0.046 nan 8.290 nan 0.000 0.408 427 S N 0.647 116.308 115.700 -0.066 0.000 2.356 427 S HA -0.091 4.379 4.470 -0.000 0.000 0.223 427 S C 1.987 176.544 174.600 -0.072 0.000 1.032 427 S CA 0.934 59.082 58.200 -0.087 0.000 1.005 427 S CB -0.223 62.937 63.200 -0.067 0.000 0.867 427 S HN 0.481 nan 8.310 nan 0.000 0.449 428 L N 0.865 122.059 121.223 -0.048 0.000 2.083 428 L HA -0.069 4.271 4.340 -0.000 0.000 0.209 428 L C 2.428 179.278 176.870 -0.033 0.000 1.083 428 L CA 1.425 56.243 54.840 -0.036 0.000 0.752 428 L CB -0.501 41.544 42.059 -0.024 0.000 0.899 428 L HN 0.360 nan 8.230 nan 0.000 0.433 429 S N -0.118 115.563 115.700 -0.033 0.000 2.368 429 S HA -0.143 4.327 4.470 -0.000 0.000 0.224 429 S C 1.732 176.315 174.600 -0.029 0.000 1.029 429 S CA 0.828 59.014 58.200 -0.022 0.000 0.988 429 S CB -0.181 63.008 63.200 -0.018 0.000 0.838 429 S HN 0.227 nan 8.310 nan 0.000 0.462 430 L N 1.058 122.246 121.223 -0.058 0.000 2.265 430 L HA 0.134 4.474 4.340 -0.000 0.000 0.215 430 L C 1.446 178.285 176.870 -0.052 0.000 1.117 430 L CA 1.372 56.169 54.840 -0.073 0.000 0.782 430 L CB -2.001 39.963 42.059 -0.159 0.000 0.914 430 L HN 0.483 nan 8.230 nan 0.000 0.441 431 G N -0.488 108.282 108.800 -0.050 0.000 2.746 431 G HA2 -0.171 3.789 3.960 -0.000 0.000 0.685 431 G HA3 -0.171 3.789 3.960 -0.000 0.000 0.685 431 G C -0.300 174.563 174.900 -0.062 0.000 1.350 431 G CA -0.544 44.533 45.100 -0.037 0.000 0.837 431 G HN 0.232 nan 8.290 nan 0.000 0.564 432 E N -0.269 119.902 120.200 -0.048 0.000 2.254 432 E HA 0.681 5.031 4.350 -0.000 0.000 0.258 432 E C 0.281 176.868 176.600 -0.022 0.000 1.033 432 E CA -0.546 55.811 56.400 -0.072 0.000 0.893 432 E CB 1.435 31.110 29.700 -0.042 0.000 1.204 432 E HN 0.841 nan 8.360 nan 0.000 0.425 433 H N -1.616 117.363 119.070 -0.152 0.000 2.961 433 H HA 0.503 5.059 4.556 -0.000 0.000 0.371 433 H C -1.238 173.876 175.328 -0.356 0.000 1.190 433 H CA -1.007 54.885 56.048 -0.259 0.000 1.138 433 H CB 1.931 31.534 29.762 -0.266 0.000 1.816 433 H HN 0.375 nan 8.280 nan 0.000 0.551 434 E N 2.408 122.363 120.200 -0.408 0.000 2.151 434 E HA 0.460 4.810 4.350 -0.000 0.000 0.275 434 E C -1.498 174.668 176.600 -0.723 0.000 0.936 434 E CA -0.865 55.280 56.400 -0.425 0.000 0.777 434 E CB 2.090 31.607 29.700 -0.306 0.000 1.108 434 E HN 0.394 nan 8.360 nan 0.000 0.401 435 V N 3.481 123.013 119.914 -0.638 0.000 3.040 435 V HA 0.350 4.470 4.120 -0.000 0.000 0.312 435 V C -0.972 174.929 176.094 -0.321 0.000 1.115 435 V CA -0.714 61.168 62.300 -0.696 0.000 0.998 435 V CB 2.354 33.465 31.823 -1.188 0.000 1.042 435 V HN 0.727 nan 8.190 nan 0.000 0.433 436 E N 3.321 123.420 120.200 -0.169 0.000 2.176 436 E HA 0.684 5.034 4.350 -0.000 0.000 0.267 436 E C -0.868 175.764 176.600 0.053 0.000 0.893 436 E CA -0.641 55.735 56.400 -0.040 0.000 0.761 436 E CB 1.212 30.903 29.700 -0.016 0.000 1.133 436 E HN 0.525 nan 8.360 nan 0.000 0.409 437 R N 4.266 124.790 120.500 0.041 0.000 2.764 437 R HA 0.239 4.578 4.340 -0.000 0.000 0.250 437 R C -2.252 174.090 176.300 0.068 0.000 1.122 437 R CA -0.314 55.841 56.100 0.091 0.000 1.022 437 R CB 1.469 31.861 30.300 0.155 0.000 1.266 437 R HN 0.771 nan 8.270 nan 0.000 0.454 455 E N 1.525 121.730 120.200 0.007 0.000 2.340 455 E HA 0.599 4.949 4.350 -0.000 0.000 0.273 455 E C -1.107 175.483 176.600 -0.017 0.000 0.891 455 E CA -0.919 55.480 56.400 -0.001 0.000 0.757 455 E CB 2.731 32.436 29.700 0.008 0.000 1.231 455 E HN 0.129 nan 8.360 nan 0.000 0.439 456 R N 2.578 123.059 120.500 -0.031 0.000 2.532 456 R HA 0.586 4.926 4.340 -0.000 0.000 0.295 456 R C -1.633 174.632 176.300 -0.060 0.000 0.968 456 R CA -0.619 55.446 56.100 -0.059 0.000 0.916 456 R CB 1.664 31.925 30.300 -0.066 0.000 1.124 456 R HN 0.514 nan 8.270 nan 0.000 0.463 457 V N 4.401 124.259 119.914 -0.093 0.000 2.888 457 V HA 0.514 4.634 4.120 -0.000 0.000 0.309 457 V C -0.332 175.706 176.094 -0.093 0.000 1.114 457 V CA -0.897 61.362 62.300 -0.069 0.000 0.940 457 V CB 2.336 34.142 31.823 -0.029 0.000 1.021 457 V HN 0.705 nan 8.190 nan 0.000 0.426 458 R N 2.704 123.176 120.500 -0.046 0.000 2.445 458 R HA 0.740 5.080 4.340 -0.000 0.000 0.308 458 R C -0.865 175.444 176.300 0.016 0.000 0.961 458 R CA -0.442 55.640 56.100 -0.031 0.000 0.862 458 R CB 1.705 31.982 30.300 -0.038 0.000 1.144 458 R HN 0.977 nan 8.270 nan 0.000 0.447 459 E N 2.473 122.704 120.200 0.051 0.000 2.401 459 E HA 0.358 4.708 4.350 -0.000 0.000 0.280 459 E C -1.122 175.441 176.600 -0.062 0.000 1.039 459 E CA -1.242 55.177 56.400 0.032 0.000 0.814 459 E CB 1.091 30.858 29.700 0.113 0.000 1.275 459 E HN 0.116 nan 8.360 nan 0.000 0.448 460 R N 1.005 121.477 120.500 -0.047 0.000 2.442 460 R HA 0.126 4.466 4.340 -0.000 0.000 0.291 460 R C 0.872 177.104 176.300 -0.113 0.000 1.069 460 R CA -0.162 55.886 56.100 -0.087 0.000 1.022 460 R CB 0.870 31.139 30.300 -0.051 0.000 0.976 460 R HN 0.517 nan 8.270 nan 0.000 0.443 461 V N 2.523 122.315 119.914 -0.204 0.000 2.427 461 V HA -0.108 4.012 4.120 -0.000 0.000 0.248 461 V C 0.927 177.058 176.094 0.061 0.000 1.051 461 V CA 1.365 63.589 62.300 -0.127 0.000 1.048 461 V CB 0.048 31.781 31.823 -0.150 0.000 0.666 461 V HN 0.394 nan 8.190 nan 0.000 0.456 462 V N 0.892 120.750 119.914 -0.093 0.000 2.409 462 V HA 0.374 4.493 4.120 -0.000 0.000 0.290 462 V C -0.170 175.852 176.094 -0.121 0.000 1.017 462 V CA -0.469 61.729 62.300 -0.170 0.000 0.841 462 V CB 1.581 33.107 31.823 -0.495 0.000 1.003 462 V HN 0.240 nan 8.190 nan 0.000 0.426 463 M N 5.454 125.014 119.600 -0.068 0.000 2.240 463 M HA 0.220 4.700 4.480 -0.000 0.000 0.333 463 M C -1.376 174.895 176.300 -0.047 0.000 1.110 463 M CA -1.182 54.090 55.300 -0.046 0.000 1.173 463 M CB 1.101 33.685 32.600 -0.027 0.000 1.458 463 M HN 0.317 nan 8.290 nan 0.000 0.458 464 P HA -0.141 nan 4.420 nan 0.000 0.216 464 P C 0.775 178.067 177.300 -0.013 0.000 1.150 464 P CA 1.578 64.662 63.100 -0.027 0.000 0.837 464 P CB 0.011 31.700 31.700 -0.019 0.000 0.786 465 A N -0.044 122.770 122.820 -0.009 0.000 1.933 465 A HA -0.231 4.089 4.320 -0.000 0.000 0.218 465 A C 2.108 179.697 177.584 0.009 0.000 1.175 465 A CA 1.555 53.591 52.037 -0.001 0.000 0.628 465 A CB -1.109 17.889 19.000 -0.003 0.000 0.814 465 A HN 0.193 nan 8.150 nan 0.000 0.444 466 E N -0.252 119.952 120.200 0.008 0.000 2.077 466 E HA -0.151 4.199 4.350 -0.000 0.000 0.193 466 E C 1.842 178.488 176.600 0.076 0.000 0.989 466 E CA 1.222 57.646 56.400 0.039 0.000 0.800 466 E CB -0.297 29.427 29.700 0.040 0.000 0.746 466 E HN 0.706 nan 8.360 nan 0.000 0.452 467 I N 0.991 121.589 120.570 0.047 0.000 2.394 467 I HA -0.196 3.974 4.170 -0.000 0.000 0.251 467 I C 2.394 178.545 176.117 0.056 0.000 1.136 467 I CA 0.724 62.066 61.300 0.070 0.000 1.425 467 I CB -0.225 37.784 38.000 0.015 0.000 1.079 467 I HN 0.048 nan 8.210 nan 0.000 0.425 468 A N 0.350 123.189 122.820 0.032 0.000 2.167 468 A HA -0.052 4.268 4.320 -0.000 0.000 0.214 468 A C 1.677 179.276 177.584 0.026 0.000 1.151 468 A CA 0.989 53.041 52.037 0.024 0.000 0.735 468 A CB -0.314 18.694 19.000 0.014 0.000 0.802 468 A HN 0.398 nan 8.150 nan 0.000 0.467 469 N N -0.369 118.351 118.700 0.033 0.000 2.205 469 N HA 0.192 4.932 4.740 -0.000 0.000 0.201 469 N C -0.173 175.355 175.510 0.030 0.000 1.128 469 N CA -0.048 53.017 53.050 0.026 0.000 0.867 469 N CB 0.273 38.773 38.487 0.021 0.000 0.996 469 N HN 0.387 nan 8.380 nan 0.000 0.503 470 L N 3.289 124.540 121.223 0.046 0.000 2.499 470 L HA 0.099 4.439 4.340 -0.000 0.000 0.273 470 L C -1.615 175.264 176.870 0.016 0.000 1.195 470 L CA -0.862 54.000 54.840 0.037 0.000 0.882 470 L CB 0.167 42.263 42.059 0.061 0.000 1.133 470 L HN -0.081 nan 8.230 nan 0.000 0.483 471 P HA 0.150 nan 4.420 nan 0.000 0.278 471 P C -0.983 176.315 177.300 -0.003 0.000 1.258 471 P CA -0.721 62.379 63.100 -0.002 0.000 0.811 471 P CB 0.793 32.488 31.700 -0.008 0.000 1.063 472 D N 0.789 121.189 120.400 -0.000 0.000 2.364 472 D HA 0.019 4.659 4.640 -0.000 0.000 0.236 472 D C 1.145 177.442 176.300 -0.005 0.000 1.221 472 D CA 0.196 54.197 54.000 0.001 0.000 0.891 472 D CB 0.092 40.894 40.800 0.003 0.000 1.190 472 D HN 0.434 nan 8.370 nan 0.000 0.449 473 L N -0.837 120.386 121.223 -0.001 0.000 3.843 473 L HA -0.240 4.100 4.340 -0.000 0.000 0.411 473 L C -0.240 176.618 176.870 -0.019 0.000 1.205 473 L CA 0.621 55.459 54.840 -0.004 0.000 0.945 473 L CB -2.049 40.008 42.059 -0.004 0.000 1.929 473 L HN 0.323 nan 8.230 nan 0.000 0.934 474 T N -0.370 114.167 114.554 -0.029 0.000 2.928 474 T HA 0.802 5.152 4.350 -0.000 0.000 0.296 474 T C -0.131 174.522 174.700 -0.078 0.000 1.000 474 T CA 0.085 62.145 62.100 -0.067 0.000 0.989 474 T CB 2.117 70.939 68.868 -0.077 0.000 1.005 474 T HN 0.376 nan 8.240 nan 0.000 0.442 475 A N 2.571 125.318 122.820 -0.121 0.000 2.539 475 A HA 0.785 5.105 4.320 -0.000 0.000 0.296 475 A C -1.922 175.553 177.584 -0.182 0.000 1.073 475 A CA -0.777 51.203 52.037 -0.095 0.000 0.700 475 A CB 1.152 20.137 19.000 -0.024 0.000 1.296 475 A HN 0.788 nan 8.150 nan 0.000 0.405 476 Y N 0.700 120.985 120.300 -0.024 0.000 2.327 476 Y HA 0.459 5.009 4.550 -0.000 0.000 0.336 476 Y C 0.156 176.011 175.900 -0.075 0.000 1.035 476 Y CA -0.032 58.048 58.100 -0.033 0.000 1.165 476 Y CB 1.769 40.218 38.460 -0.018 0.000 1.181 476 Y HN 0.363 nan 8.280 nan 0.000 0.494 477 V N 3.377 123.296 119.914 0.008 0.000 2.357 477 V HA 0.571 4.690 4.120 -0.000 0.000 0.284 477 V C 0.217 176.185 176.094 -0.211 0.000 1.018 477 V CA -0.661 61.530 62.300 -0.181 0.000 0.841 477 V CB 1.360 33.000 31.823 -0.304 0.000 0.991 477 V HN 0.932 nan 8.190 nan 0.000 0.437 478 G N 4.524 113.195 108.800 -0.215 0.000 3.378 478 G HA2 0.548 4.508 3.960 -0.000 0.000 0.332 478 G HA3 0.548 4.508 3.960 -0.000 0.000 0.332 478 G C -0.651 174.197 174.900 -0.086 0.000 1.490 478 G CA -0.305 44.731 45.100 -0.107 0.000 1.068 478 G HN 0.351 nan 8.290 nan 0.000 0.492 479 F N 1.717 121.712 119.950 0.075 0.000 2.496 479 F HA 0.443 4.970 4.527 -0.000 0.000 0.344 479 F C 1.306 177.139 175.800 0.056 0.000 1.155 479 F CA -0.115 57.926 58.000 0.068 0.000 1.302 479 F CB 0.888 39.923 39.000 0.059 0.000 1.159 479 F HN 0.536 nan 8.300 nan 0.000 0.595 480 A N 1.652 124.645 122.820 0.288 0.000 2.466 480 A HA 0.504 4.824 4.320 -0.000 0.000 0.238 480 A C 0.809 178.465 177.584 0.120 0.000 1.074 480 A CA 0.452 52.583 52.037 0.157 0.000 0.774 480 A CB -0.723 18.344 19.000 0.113 0.000 1.015 480 A HN 1.648 nan 8.150 nan 0.000 0.498 481 G N 0.686 109.535 108.800 0.082 0.000 2.545 481 G HA2 -0.157 3.802 3.960 -0.000 0.000 0.216 481 G HA3 -0.157 3.802 3.960 -0.000 0.000 0.216 481 G C -0.041 174.898 174.900 0.066 0.000 1.314 481 G CA 0.187 45.324 45.100 0.060 0.000 0.906 481 G HN 1.603 nan 8.290 nan 0.000 0.563 482 N N 1.580 120.312 118.700 0.053 0.000 3.298 482 N HA 0.367 5.107 4.740 -0.000 0.000 0.292 482 N C 0.281 175.825 175.510 0.056 0.000 1.271 482 N CA -0.022 53.059 53.050 0.052 0.000 1.184 482 N CB -0.226 38.284 38.487 0.038 0.000 1.452 482 N HN 0.613 nan 8.380 nan 0.000 0.534 483 R N 1.280 121.828 120.500 0.080 0.000 2.744 483 R HA 0.536 4.876 4.340 -0.000 0.000 0.279 483 R C -2.640 173.714 176.300 0.089 0.000 0.977 483 R CA -1.683 54.473 56.100 0.093 0.000 0.906 483 R CB 1.239 31.633 30.300 0.157 0.000 1.197 483 R HN 0.291 nan 8.270 nan 0.000 0.463 484 P HA 0.237 nan 4.420 nan 0.000 0.274 484 P C -0.025 177.328 177.300 0.087 0.000 1.237 484 P CA -0.440 62.697 63.100 0.062 0.000 0.793 484 P CB 0.789 32.508 31.700 0.031 0.000 0.977 485 I N -1.841 118.783 120.570 0.090 0.000 2.797 485 I HA 0.815 4.985 4.170 -0.000 0.000 0.310 485 I C -0.537 175.656 176.117 0.126 0.000 0.990 485 I CA -1.142 60.216 61.300 0.097 0.000 1.228 485 I CB 1.573 39.640 38.000 0.111 0.000 1.406 485 I HN 0.394 nan 8.210 nan 0.000 0.534 486 A N 3.308 126.200 122.820 0.120 0.000 2.574 486 A HA 0.511 4.831 4.320 -0.000 0.000 0.297 486 A C -1.109 176.483 177.584 0.014 0.000 1.062 486 A CA -0.869 51.224 52.037 0.094 0.000 0.686 486 A CB 1.585 20.619 19.000 0.056 0.000 1.285 486 A HN 0.795 nan 8.150 nan 0.000 0.403 487 K N 2.070 122.414 120.400 -0.094 0.000 2.268 487 K HA 0.574 4.894 4.320 -0.000 0.000 0.276 487 K C -1.271 175.208 176.600 -0.202 0.000 1.080 487 K CA -0.164 55.891 56.287 -0.386 0.000 0.910 487 K CB 0.590 32.783 32.500 -0.512 0.000 1.163 487 K HN 0.462 nan 8.250 nan 0.000 0.465 488 V N 6.100 125.910 119.914 -0.174 0.000 2.715 488 V HA 0.488 4.608 4.120 -0.000 0.000 0.310 488 V C -2.222 173.821 176.094 -0.084 0.000 1.054 488 V CA -1.990 60.255 62.300 -0.090 0.000 0.928 488 V CB 1.773 33.570 31.823 -0.043 0.000 1.007 488 V HN 0.824 nan 8.190 nan 0.000 0.437 489 P HA 0.321 nan 4.420 nan 0.000 0.292 489 P C -0.984 176.305 177.300 -0.018 0.000 1.287 489 P CA -0.317 62.760 63.100 -0.039 0.000 0.800 489 P CB 1.472 33.154 31.700 -0.029 0.000 0.945 490 L N 3.718 124.933 121.223 -0.013 0.000 2.260 490 L HA 0.239 4.579 4.340 -0.000 0.000 0.289 490 L C 1.016 177.890 176.870 0.007 0.000 1.057 490 L CA -0.555 54.289 54.840 0.006 0.000 0.811 490 L CB 0.513 42.579 42.059 0.012 0.000 1.184 490 L HN 0.493 nan 8.230 nan 0.000 0.429 491 E N 5.613 125.821 120.200 0.013 0.000 2.283 491 E HA 0.268 4.617 4.350 -0.000 0.000 0.278 491 E C -0.732 175.870 176.600 0.003 0.000 1.027 491 E CA -0.672 55.729 56.400 0.001 0.000 0.843 491 E CB 1.373 31.070 29.700 -0.006 0.000 1.062 491 E HN 0.553 nan 8.360 nan 0.000 0.401 492 I N 4.035 124.597 120.570 -0.013 0.000 2.293 492 I HA 0.085 4.254 4.170 -0.000 0.000 0.299 492 I C 0.595 176.669 176.117 -0.071 0.000 1.153 492 I CA -0.233 61.057 61.300 -0.016 0.000 1.302 492 I CB -0.034 37.955 38.000 -0.018 0.000 1.460 492 I HN 0.508 nan 8.210 nan 0.000 0.552 493 K N 5.180 125.518 120.400 -0.103 0.000 2.237 493 K HA 0.194 4.514 4.320 -0.000 0.000 0.270 493 K C -0.233 176.078 176.600 -0.481 0.000 1.015 493 K CA -0.582 55.510 56.287 -0.325 0.000 0.949 493 K CB 0.817 33.038 32.500 -0.464 0.000 0.976 493 K HN 0.387 nan 8.250 nan 0.000 0.472 494 Q N 3.062 122.536 119.800 -0.543 0.000 2.257 494 Q HA 0.291 4.631 4.340 -0.000 0.000 0.255 494 Q C -1.134 174.478 176.000 -0.646 0.000 0.920 494 Q CA -0.119 55.431 55.803 -0.421 0.000 0.927 494 Q CB 1.010 29.611 28.738 -0.228 0.000 1.229 494 Q HN 0.422 nan 8.270 nan 0.000 0.433 495 F N 0.443 120.330 119.950 -0.106 0.000 2.493 495 F HA 0.530 5.057 4.527 -0.000 0.000 0.329 495 F C 0.473 176.209 175.800 -0.108 0.000 1.126 495 F CA -1.133 56.801 58.000 -0.111 0.000 0.937 495 F CB 1.476 40.396 39.000 -0.133 0.000 1.146 495 F HN 0.490 nan 8.300 nan 0.000 0.442 496 A N 2.681 125.550 122.820 0.082 0.000 2.462 496 A HA 0.159 4.479 4.320 -0.000 0.000 0.243 496 A C 0.182 177.765 177.584 -0.001 0.000 1.076 496 A CA -0.447 51.605 52.037 0.025 0.000 0.773 496 A CB -0.056 18.958 19.000 0.025 0.000 1.010 496 A HN 0.896 nan 8.150 nan 0.000 0.493 497 N N 1.195 119.876 118.700 -0.032 0.000 2.739 497 N HA 0.117 4.857 4.740 -0.000 0.000 0.266 497 N C 0.385 175.862 175.510 -0.056 0.000 1.168 497 N CA -0.169 52.842 53.050 -0.065 0.000 1.055 497 N CB 0.343 38.790 38.487 -0.066 0.000 1.393 497 N HN 0.639 nan 8.380 nan 0.000 0.514 498 R N 1.476 121.943 120.500 -0.055 0.000 3.298 498 R HA 0.149 4.489 4.340 -0.000 0.000 0.249 498 R C -0.129 176.132 176.300 -0.064 0.000 1.563 498 R CA -0.096 55.982 56.100 -0.038 0.000 1.378 498 R CB 0.042 30.341 30.300 -0.002 0.000 1.250 498 R HN 0.430 nan 8.270 nan 0.000 0.580 499 Q N 0.276 120.026 119.800 -0.084 0.000 2.964 499 Q HA 0.110 4.450 4.340 -0.000 0.000 0.215 499 Q C -2.936 173.001 176.000 -0.106 0.000 1.019 499 Q CA -1.373 54.370 55.803 -0.100 0.000 0.990 499 Q CB 1.591 30.247 28.738 -0.136 0.000 2.131 499 Q HN 0.193 nan 8.270 nan 0.000 0.522 500 P HA 0.117 nan 4.420 nan 0.000 0.275 500 P C -0.332 176.923 177.300 -0.075 0.000 1.227 500 P CA 0.351 63.408 63.100 -0.072 0.000 0.781 500 P CB 1.293 32.957 31.700 -0.061 0.000 0.906 501 A N 3.566 126.359 122.820 -0.045 0.000 1.898 501 A HA -0.029 4.291 4.320 -0.000 0.000 0.216 501 A C 0.668 178.307 177.584 0.091 0.000 1.181 501 A CA 1.281 53.301 52.037 -0.029 0.000 0.620 501 A CB -0.607 18.369 19.000 -0.039 0.000 0.819 501 A HN 0.579 nan 8.150 nan 0.000 0.442 502 F N -1.551 118.352 119.950 -0.079 0.000 2.588 502 F HA 0.596 5.123 4.527 -0.000 0.000 0.310 502 F C -1.222 174.557 175.800 -0.036 0.000 1.082 502 F CA -1.517 56.454 58.000 -0.048 0.000 0.929 502 F CB 2.118 41.097 39.000 -0.035 0.000 1.254 502 F HN -0.157 nan 8.300 nan 0.000 0.455 503 V N 5.402 124.871 119.914 -0.741 0.000 2.623 503 V HA 0.471 4.591 4.120 -0.000 0.000 0.304 503 V C -0.272 175.384 176.094 -0.730 0.000 1.054 503 V CA -0.608 61.360 62.300 -0.554 0.000 0.882 503 V CB 1.379 33.030 31.823 -0.286 0.000 1.002 503 V HN 0.909 nan 8.190 nan 0.000 0.424 504 E N 0.000 119.912 120.200 -0.479 0.000 2.725 504 E HA 0.000 4.350 4.350 -0.000 0.000 0.291 504 E CA 0.000 56.219 56.400 -0.301 0.000 0.976 504 E CB 0.000 29.571 29.700 -0.215 0.000 0.812 504 E HN 0.000 nan 8.360 nan 0.000 0.440