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 1ohf_1_C DATA FIRST_RESID 42 DATA SEQUENCE NIDNVTAAAQ ELGQSLDANV ITFPTNVATM PEFRSWARGK LDIDQDSIGW DATA SEQUENCE YFKYLDPAGA TESARAVGEY SKIPDGLVKF SVDAEIREIY NEECPTVSDX DATA SEQUENCE XXXLDGAQWS LSIISYPMFR TAYFAVANVD NKEISLDVTN DLIVWLNNLA DATA SEQUENCE SWRDVVDSGQ WFTFSDDPTW FVRIRVLHPT YDLPDPTEGL LRTVSDYRLT DATA SEQUENCE YKSITCEANM PTLVDQGFWI GGHYALTPIA TTQNAVEGSG FVHPFNVTRP DATA SEQUENCE GIAAGVTLTW ASMPPGGSAP SGDPAWIPDS TTQFQWRHGG FDAPTGVITY DATA SEQUENCE TIPRGYTMQY FDTTTNEWNG FANPDDVVTF GQTGGAAGTN ATITITAPTV DATA SEQUENCE TLTILATTTS AANVINFRNL DAETTAASNR SEVPLPPLTF GQTAPNNPKI DATA SEQUENCE EQTLVKDTLG SYLVHSKMRN PVFQLTPASS FGAISFTNPG FDRNLDLPGF DATA SEQUENCE GGIRDSLDVN MSTAVCHFRS LSKSCSIVTK TYQGWEGVTN VNTPFGQFAH DATA SEQUENCE SGLLKNDEIL CLADDLATRL TGVYGATDNF AAAVLAFAAN MLTSVLKSEX DATA SEQUENCE XTSVIKELGN XXXXLANQGL ARLPGLLASI PGKIAARVRA RRDRRRAARM 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 42 N HA 0.000 nan 4.740 nan 0.000 0.220 42 N C 0.000 175.518 175.510 0.014 0.000 1.280 42 N CA 0.000 53.059 53.050 0.016 0.000 0.885 42 N CB 0.000 38.494 38.487 0.011 0.000 1.341 43 I N 1.955 122.531 120.570 0.010 0.000 2.499 43 I HA 0.303 4.473 4.170 0.000 0.000 0.296 43 I C 0.154 176.267 176.117 -0.007 0.000 0.992 43 I CA -0.676 60.625 61.300 0.001 0.000 1.297 43 I CB 0.959 38.956 38.000 -0.006 0.000 1.410 43 I HN 0.604 nan 8.210 nan 0.000 0.507 44 D N 4.841 125.233 120.400 -0.013 0.000 2.440 44 D HA 0.171 4.811 4.640 0.000 0.000 0.258 44 D C 0.321 176.604 176.300 -0.027 0.000 1.092 44 D CA -0.557 53.433 54.000 -0.017 0.000 1.016 44 D CB 0.678 41.467 40.800 -0.017 0.000 1.141 44 D HN 0.358 nan 8.370 nan 0.000 0.552 45 N N 0.013 118.698 118.700 -0.026 0.000 2.002 45 N HA -0.177 4.563 4.740 0.000 0.000 0.199 45 N C 2.071 177.556 175.510 -0.042 0.000 1.067 45 N CA 1.667 54.699 53.050 -0.030 0.000 0.870 45 N CB -1.045 37.426 38.487 -0.026 0.000 1.073 45 N HN 0.348 nan 8.380 nan 0.000 0.432 46 V N 1.497 121.385 119.914 -0.045 0.000 2.242 46 V HA -0.340 3.780 4.120 0.000 0.000 0.257 46 V C 2.481 178.531 176.094 -0.073 0.000 1.073 46 V CA 2.570 64.836 62.300 -0.058 0.000 1.058 46 V CB -1.444 30.341 31.823 -0.063 0.000 0.664 46 V HN 0.443 nan 8.190 nan 0.000 0.451 47 T N -0.170 114.341 114.554 -0.073 0.000 2.708 47 T HA -0.118 4.232 4.350 0.000 0.000 0.266 47 T C 2.042 176.673 174.700 -0.116 0.000 1.037 47 T CA 1.677 63.721 62.100 -0.093 0.000 1.146 47 T CB -0.514 68.313 68.868 -0.068 0.000 0.865 47 T HN 0.639 nan 8.240 nan 0.000 0.435 48 A N 1.530 124.300 122.820 -0.083 0.000 1.908 48 A HA 0.095 4.415 4.320 0.000 0.000 0.218 48 A C 2.648 180.188 177.584 -0.074 0.000 1.181 48 A CA 1.963 53.954 52.037 -0.077 0.000 0.627 48 A CB -1.166 17.809 19.000 -0.042 0.000 0.818 48 A HN 0.511 nan 8.150 nan 0.000 0.445 49 A N -0.150 122.633 122.820 -0.060 0.000 1.877 49 A HA 0.128 4.448 4.320 0.000 0.000 0.216 49 A C 2.529 180.079 177.584 -0.057 0.000 1.186 49 A CA 2.256 54.265 52.037 -0.048 0.000 0.620 49 A CB -1.084 17.891 19.000 -0.041 0.000 0.822 49 A HN 1.106 nan 8.150 nan 0.000 0.443 50 A N -0.709 122.062 122.820 -0.081 0.000 1.902 50 A HA -0.230 4.090 4.320 0.000 0.000 0.217 50 A C 2.122 179.644 177.584 -0.104 0.000 1.181 50 A CA 1.716 53.701 52.037 -0.086 0.000 0.623 50 A CB -0.627 18.310 19.000 -0.106 0.000 0.818 50 A HN 0.665 nan 8.150 nan 0.000 0.443 51 Q N -0.785 118.902 119.800 -0.189 0.000 2.124 51 Q HA -0.206 4.134 4.340 0.000 0.000 0.202 51 Q C 2.086 178.066 176.000 -0.032 0.000 0.977 51 Q CA 1.631 57.279 55.803 -0.258 0.000 0.850 51 Q CB -0.156 28.303 28.738 -0.465 0.000 0.901 51 Q HN 0.783 nan 8.270 nan 0.000 0.429 52 E N 0.535 120.723 120.200 -0.020 0.000 2.028 52 E HA -0.138 4.212 4.350 0.000 0.000 0.191 52 E C 2.073 178.694 176.600 0.036 0.000 0.988 52 E CA 0.625 57.040 56.400 0.024 0.000 0.799 52 E CB -0.011 29.694 29.700 0.009 0.000 0.755 52 E HN 0.283 nan 8.360 nan 0.000 0.447 53 L N 0.281 121.514 121.223 0.016 0.000 2.081 53 L HA -0.197 4.143 4.340 0.000 0.000 0.212 53 L C 2.507 179.406 176.870 0.050 0.000 1.080 53 L CA 1.236 56.091 54.840 0.025 0.000 0.754 53 L CB -0.737 41.326 42.059 0.007 0.000 0.893 53 L HN 0.288 nan 8.230 nan 0.000 0.433 54 G N -0.940 107.896 108.800 0.060 0.000 2.459 54 G HA2 -0.268 3.692 3.960 0.000 0.000 0.217 54 G HA3 -0.268 3.692 3.960 0.000 0.000 0.217 54 G C 1.440 176.427 174.900 0.144 0.000 1.183 54 G CA 0.304 45.467 45.100 0.106 0.000 0.776 54 G HN 0.275 nan 8.290 nan 0.000 0.552 55 Q N 0.450 120.345 119.800 0.159 0.000 2.364 55 Q HA 0.014 4.354 4.340 0.000 0.000 0.207 55 Q C 2.655 178.742 176.000 0.146 0.000 0.970 55 Q CA 0.963 56.870 55.803 0.174 0.000 0.888 55 Q CB -0.344 28.473 28.738 0.132 0.000 0.951 55 Q HN 0.478 nan 8.270 nan 0.000 0.469 56 S N -0.091 115.669 115.700 0.101 0.000 2.377 56 S HA 0.050 4.520 4.470 0.000 0.000 0.223 56 S C 1.711 176.356 174.600 0.076 0.000 1.030 56 S CA 0.265 58.512 58.200 0.078 0.000 0.970 56 S CB 0.079 63.310 63.200 0.052 0.000 0.830 56 S HN 0.325 nan 8.310 nan 0.000 0.473 57 L N 0.953 122.221 121.223 0.074 0.000 2.551 57 L HA 0.077 4.417 4.340 0.000 0.000 0.228 57 L C 0.875 177.783 176.870 0.063 0.000 1.153 57 L CA 0.552 55.427 54.840 0.059 0.000 0.851 57 L CB -0.135 41.956 42.059 0.052 0.000 0.959 57 L HN 0.184 nan 8.230 nan 0.000 0.451 58 D N -0.460 120.002 120.400 0.103 0.000 2.395 58 D HA 0.154 4.794 4.640 0.000 0.000 0.213 58 D C 2.006 178.369 176.300 0.104 0.000 1.110 58 D CA 0.431 54.486 54.000 0.091 0.000 0.835 58 D CB 0.639 41.559 40.800 0.199 0.000 0.965 58 D HN 0.122 nan 8.370 nan 0.000 0.505 59 A N 1.166 124.058 122.820 0.121 0.000 1.997 59 A HA -0.203 4.117 4.320 0.000 0.000 0.221 59 A C 1.553 179.180 177.584 0.072 0.000 1.172 59 A CA 1.304 53.417 52.037 0.126 0.000 0.645 59 A CB -0.164 18.886 19.000 0.084 0.000 0.813 59 A HN 0.136 nan 8.150 nan 0.000 0.454 60 N N -0.232 118.472 118.700 0.006 0.000 2.275 60 N HA 0.188 4.928 4.740 0.000 0.000 0.236 60 N C 0.294 175.746 175.510 -0.096 0.000 1.154 60 N CA 0.533 53.566 53.050 -0.029 0.000 0.866 60 N CB 0.587 39.064 38.487 -0.016 0.000 1.093 60 N HN 0.463 nan 8.380 nan 0.000 0.515 61 V N -0.780 119.014 119.914 -0.199 0.000 3.489 61 V HA 0.309 4.429 4.120 0.000 0.000 0.297 61 V C 1.477 177.407 176.094 -0.273 0.000 1.071 61 V CA -0.378 61.748 62.300 -0.291 0.000 1.074 61 V CB 0.498 32.020 31.823 -0.502 0.000 1.188 61 V HN 0.071 nan 8.190 nan 0.000 0.458 62 I N -2.289 118.134 120.570 -0.246 0.000 4.057 62 I HA 0.452 4.622 4.170 0.000 0.000 0.334 62 I C 0.797 176.817 176.117 -0.163 0.000 1.308 62 I CA 0.467 61.672 61.300 -0.159 0.000 1.125 62 I CB 0.449 38.384 38.000 -0.107 0.000 1.034 62 I HN 0.814 nan 8.210 nan 0.000 0.401 63 T N -0.194 114.190 114.554 -0.282 0.000 2.885 63 T HA 0.597 4.947 4.350 0.000 0.000 0.322 63 T C -1.643 172.840 174.700 -0.361 0.000 1.387 63 T CA -0.427 61.562 62.100 -0.185 0.000 1.041 63 T CB 1.085 69.905 68.868 -0.080 0.000 1.287 63 T HN -0.002 nan 8.240 nan 0.000 0.491 64 F N 2.297 122.233 119.950 -0.025 0.000 2.523 64 F HA 0.615 5.142 4.527 0.000 0.000 0.329 64 F C -1.774 174.002 175.800 -0.041 0.000 1.061 64 F CA -2.155 55.828 58.000 -0.028 0.000 0.967 64 F CB 0.762 39.741 39.000 -0.035 0.000 1.218 64 F HN 0.385 nan 8.300 nan 0.000 0.480 65 P HA 0.028 nan 4.420 nan 0.000 0.262 65 P C 0.623 177.916 177.300 -0.011 0.000 1.182 65 P CA 0.308 63.434 63.100 0.044 0.000 0.761 65 P CB 0.480 32.209 31.700 0.048 0.000 0.795 66 T N -0.973 113.520 114.554 -0.102 0.000 2.942 66 T HA -0.052 4.298 4.350 0.000 0.000 0.265 66 T C 0.852 175.473 174.700 -0.132 0.000 1.062 66 T CA 0.482 62.496 62.100 -0.143 0.000 1.139 66 T CB -0.257 68.439 68.868 -0.286 0.000 0.883 66 T HN 0.268 nan 8.240 nan 0.000 0.468 67 N N 1.377 119.999 118.700 -0.130 0.000 2.426 67 N HA 0.246 4.986 4.740 0.000 0.000 0.257 67 N C 0.873 176.342 175.510 -0.070 0.000 1.002 67 N CA -0.296 52.700 53.050 -0.090 0.000 0.942 67 N CB 1.688 40.130 38.487 -0.074 0.000 1.112 67 N HN -0.000 nan 8.380 nan 0.000 0.499 68 V N 3.120 122.981 119.914 -0.088 0.000 2.667 68 V HA -0.121 3.999 4.120 0.000 0.000 0.252 68 V C 2.163 178.237 176.094 -0.034 0.000 1.065 68 V CA 1.793 64.021 62.300 -0.119 0.000 1.083 68 V CB -0.839 30.874 31.823 -0.183 0.000 0.692 68 V HN 0.758 nan 8.190 nan 0.000 0.468 69 A N 0.754 123.564 122.820 -0.016 0.000 2.172 69 A HA -0.129 4.191 4.320 0.000 0.000 0.216 69 A C 2.126 179.722 177.584 0.019 0.000 1.154 69 A CA 1.673 53.714 52.037 0.006 0.000 0.701 69 A CB -0.710 18.285 19.000 -0.008 0.000 0.789 69 A HN 0.630 nan 8.150 nan 0.000 0.465 70 T N -2.978 111.591 114.554 0.025 0.000 3.235 70 T HA 0.522 4.872 4.350 0.000 0.000 0.251 70 T C 0.205 174.958 174.700 0.088 0.000 1.060 70 T CA -0.143 61.983 62.100 0.042 0.000 0.949 70 T CB -0.599 68.290 68.868 0.034 0.000 1.020 70 T HN 0.287 nan 8.240 nan 0.000 0.564 71 M N 2.583 122.263 119.600 0.134 0.000 2.022 71 M HA 0.325 4.805 4.480 0.000 0.000 0.298 71 M C -1.984 174.476 176.300 0.266 0.000 0.909 71 M CA -2.358 53.080 55.300 0.230 0.000 0.914 71 M CB 2.611 35.420 32.600 0.350 0.000 1.486 71 M HN -0.201 nan 8.290 nan 0.000 0.415 72 P HA -0.208 nan 4.420 nan 0.000 0.217 72 P C 0.314 177.833 177.300 0.365 0.000 1.148 72 P CA 1.718 65.025 63.100 0.345 0.000 0.828 72 P CB 0.112 32.075 31.700 0.438 0.000 0.783 73 E N -0.914 119.405 120.200 0.198 0.000 2.338 73 E HA -0.091 4.259 4.350 0.000 0.000 0.197 73 E C 1.111 177.580 176.600 -0.218 0.000 1.007 73 E CA 0.940 57.319 56.400 -0.036 0.000 0.849 73 E CB -0.873 28.704 29.700 -0.204 0.000 0.774 73 E HN 0.378 nan 8.360 nan 0.000 0.506 74 F N 0.158 120.179 119.950 0.119 0.000 2.661 74 F HA 0.254 4.781 4.527 -0.000 0.000 0.306 74 F C 0.809 176.645 175.800 0.061 0.000 1.094 74 F CA -0.435 57.611 58.000 0.077 0.000 1.254 74 F CB 0.509 39.536 39.000 0.046 0.000 1.040 74 F HN -0.243 nan 8.300 nan 0.000 0.562 75 R N 0.679 121.300 120.500 0.201 0.000 2.573 75 R HA 0.434 4.774 4.340 0.000 0.000 0.272 75 R C 0.120 176.436 176.300 0.025 0.000 1.009 75 R CA -0.287 55.829 56.100 0.028 0.000 1.059 75 R CB 1.335 31.536 30.300 -0.165 0.000 1.112 75 R HN 0.073 nan 8.270 nan 0.000 0.517 76 S N 0.608 116.263 115.700 -0.075 0.000 2.429 76 S HA 0.457 4.927 4.470 0.000 0.000 0.302 76 S C -0.906 173.638 174.600 -0.093 0.000 1.115 76 S CA -0.884 57.326 58.200 0.017 0.000 1.095 76 S CB 0.556 63.767 63.200 0.019 0.000 0.987 76 S HN 0.387 nan 8.310 nan 0.000 0.474 77 W N 1.649 122.948 121.300 -0.000 0.000 2.469 77 W HA 0.666 5.326 4.660 -0.000 0.000 0.320 77 W C -0.001 176.516 176.519 -0.004 0.000 1.086 77 W CA -0.812 56.532 57.345 -0.003 0.000 1.211 77 W CB 1.457 30.913 29.460 -0.007 0.000 1.298 77 W HN 0.904 nan 8.180 nan 0.000 0.525 78 A N 3.399 126.330 122.820 0.184 0.000 2.410 78 A HA 0.714 5.034 4.320 0.000 0.000 0.289 78 A C -0.077 177.572 177.584 0.109 0.000 1.200 78 A CA -1.012 51.091 52.037 0.111 0.000 0.751 78 A CB 0.443 19.473 19.000 0.050 0.000 1.161 78 A HN 0.840 nan 8.150 nan 0.000 0.459 79 R N 1.577 122.139 120.500 0.102 0.000 3.261 79 R HA -0.181 4.159 4.340 0.000 0.000 0.257 79 R C 1.038 177.406 176.300 0.114 0.000 1.014 79 R CA 0.969 57.118 56.100 0.081 0.000 0.681 79 R CB -1.914 28.418 30.300 0.054 0.000 1.155 79 R HN 2.463 nan 8.270 nan 0.000 0.424 80 G N -0.155 108.738 108.800 0.155 0.000 2.212 80 G HA2 -0.392 3.568 3.960 0.000 0.000 0.267 80 G HA3 -0.392 3.568 3.960 0.000 0.000 0.267 80 G C 0.025 175.138 174.900 0.356 0.000 1.002 80 G CA 1.296 46.515 45.100 0.198 0.000 0.729 80 G HN 0.448 nan 8.290 nan 0.000 0.517 81 K N -1.007 119.598 120.400 0.342 0.000 2.385 81 K HA 0.679 4.999 4.320 0.000 0.000 0.248 81 K C 0.181 176.743 176.600 -0.063 0.000 0.955 81 K CA -1.061 55.342 56.287 0.192 0.000 0.816 81 K CB 1.913 34.450 32.500 0.063 0.000 1.250 81 K HN 0.074 nan 8.250 nan 0.000 0.434 82 L N 2.356 123.342 121.223 -0.394 0.000 2.418 82 L HA 0.119 4.459 4.340 0.000 0.000 0.265 82 L C 0.440 177.111 176.870 -0.331 0.000 1.143 82 L CA -0.407 54.022 54.840 -0.684 0.000 0.809 82 L CB 0.527 42.165 42.059 -0.701 0.000 1.124 82 L HN 0.717 nan 8.230 nan 0.000 0.456 83 D N 1.935 122.155 120.400 -0.300 0.000 2.362 83 D HA 0.089 4.729 4.640 0.000 0.000 0.242 83 D C -0.207 176.007 176.300 -0.144 0.000 1.132 83 D CA -0.516 53.384 54.000 -0.167 0.000 0.907 83 D CB 1.487 42.209 40.800 -0.130 0.000 1.195 83 D HN 0.065 nan 8.370 nan 0.000 0.429 84 I N 2.713 123.222 120.570 -0.103 0.000 2.483 84 I HA -0.037 4.133 4.170 0.000 0.000 0.291 84 I C 0.875 176.955 176.117 -0.062 0.000 1.112 84 I CA 0.007 61.254 61.300 -0.089 0.000 1.350 84 I CB -0.218 37.726 38.000 -0.093 0.000 1.419 84 I HN 0.285 nan 8.210 nan 0.000 0.523 85 D N 4.855 125.222 120.400 -0.055 0.000 2.423 85 D HA 0.060 4.700 4.640 0.000 0.000 0.255 85 D C 0.620 176.930 176.300 0.017 0.000 1.174 85 D CA -0.549 53.436 54.000 -0.025 0.000 1.008 85 D CB 0.784 41.564 40.800 -0.034 0.000 1.101 85 D HN 0.502 nan 8.370 nan 0.000 0.516 86 Q N -0.453 119.367 119.800 0.034 0.000 2.061 86 Q HA -0.178 4.162 4.340 0.000 0.000 0.204 86 Q C 1.242 177.309 176.000 0.112 0.000 0.984 86 Q CA 1.756 57.603 55.803 0.072 0.000 0.846 86 Q CB 0.071 28.847 28.738 0.062 0.000 0.902 86 Q HN 0.479 nan 8.270 nan 0.000 0.421 87 D N -0.227 120.228 120.400 0.093 0.000 2.084 87 D HA -0.140 4.500 4.640 0.000 0.000 0.194 87 D C 2.072 178.478 176.300 0.176 0.000 0.990 87 D CA 1.796 55.872 54.000 0.125 0.000 0.826 87 D CB -0.303 40.539 40.800 0.069 0.000 0.971 87 D HN 0.309 nan 8.370 nan 0.000 0.453 88 S N 0.678 116.452 115.700 0.124 0.000 2.419 88 S HA -0.088 4.382 4.470 0.000 0.000 0.233 88 S C 2.276 177.012 174.600 0.226 0.000 1.016 88 S CA 0.450 58.752 58.200 0.170 0.000 0.974 88 S CB -0.545 62.694 63.200 0.065 0.000 0.786 88 S HN 0.252 nan 8.310 nan 0.000 0.492 89 I N 2.119 122.781 120.570 0.154 0.000 2.353 89 I HA -0.031 4.139 4.170 0.000 0.000 0.248 89 I C 2.860 179.159 176.117 0.304 0.000 1.119 89 I CA 1.013 62.402 61.300 0.150 0.000 1.417 89 I CB -0.992 37.100 38.000 0.155 0.000 1.078 89 I HN 0.466 nan 8.210 nan 0.000 0.421 90 G N 0.390 109.382 108.800 0.320 0.000 2.433 90 G HA2 -0.312 3.648 3.960 0.000 0.000 0.216 90 G HA3 -0.312 3.648 3.960 0.000 0.000 0.216 90 G C 1.413 176.513 174.900 0.334 0.000 1.186 90 G CA 0.572 45.882 45.100 0.351 0.000 0.779 90 G HN 0.509 nan 8.290 nan 0.000 0.543 91 W N 0.634 122.069 121.300 0.226 0.000 2.338 91 W HA -0.147 4.513 4.660 -0.000 0.000 0.304 91 W C 2.230 178.837 176.519 0.146 0.000 1.212 91 W CA 1.508 58.969 57.345 0.193 0.000 1.264 91 W CB -0.661 28.871 29.460 0.119 0.000 1.142 91 W HN 0.250 nan 8.180 nan 0.000 0.512 92 Y N 0.015 120.208 120.300 -0.177 0.000 2.069 92 Y HA -0.342 4.208 4.550 0.000 0.000 0.278 92 Y C 2.203 177.785 175.900 -0.531 0.000 1.175 92 Y CA 2.742 60.545 58.100 -0.494 0.000 1.134 92 Y CB -1.317 36.916 38.460 -0.379 0.000 0.965 92 Y HN 0.022 nan 8.280 nan 0.000 0.498 93 F N 0.108 119.914 119.950 -0.241 0.000 2.146 93 F HA -0.163 4.364 4.527 -0.000 0.000 0.298 93 F C 2.370 177.899 175.800 -0.451 0.000 1.096 93 F CA 1.275 59.058 58.000 -0.361 0.000 1.275 93 F CB -0.263 38.629 39.000 -0.180 0.000 1.008 93 F HN -0.105 nan 8.300 nan 0.000 0.480 94 K N -0.445 119.772 120.400 -0.305 0.000 2.148 94 K HA -0.201 4.119 4.320 0.000 0.000 0.204 94 K C 1.893 178.097 176.600 -0.659 0.000 1.050 94 K CA 1.131 57.062 56.287 -0.594 0.000 0.942 94 K CB -0.750 31.308 32.500 -0.736 0.000 0.724 94 K HN 0.338 nan 8.250 nan 0.000 0.446 95 Y N 1.136 120.967 120.300 -0.781 0.000 2.263 95 Y HA -0.084 4.466 4.550 -0.000 0.000 0.292 95 Y C 1.798 177.454 175.900 -0.406 0.000 1.130 95 Y CA 1.253 58.973 58.100 -0.633 0.000 1.179 95 Y CB -0.062 37.677 38.460 -1.202 0.000 0.998 95 Y HN -0.094 nan 8.280 nan 0.000 0.532 96 L N -0.743 120.160 121.223 -0.535 0.000 2.416 96 L HA 0.091 4.431 4.340 0.000 0.000 0.216 96 L C 0.043 176.725 176.870 -0.312 0.000 1.098 96 L CA 0.823 55.383 54.840 -0.466 0.000 0.840 96 L CB 0.212 41.992 42.059 -0.465 0.000 0.981 96 L HN 0.080 nan 8.230 nan 0.000 0.462 97 D N -0.681 119.559 120.400 -0.266 0.000 2.934 97 D HA 0.086 4.726 4.640 0.000 0.000 0.249 97 D C -1.972 174.223 176.300 -0.176 0.000 1.293 97 D CA -1.228 52.695 54.000 -0.129 0.000 0.812 97 D CB 0.888 41.630 40.800 -0.098 0.000 1.439 97 D HN -0.162 nan 8.370 nan 0.000 0.555 98 P HA -0.148 nan 4.420 nan 0.000 0.217 98 P C 1.148 178.100 177.300 -0.581 0.000 1.148 98 P CA 1.096 63.954 63.100 -0.403 0.000 0.828 98 P CB 0.444 32.012 31.700 -0.219 0.000 0.783 99 A N 0.187 122.771 122.820 -0.392 0.000 1.878 99 A HA 0.141 4.461 4.320 0.000 0.000 0.213 99 A C 2.631 179.976 177.584 -0.398 0.000 1.192 99 A CA 1.516 53.199 52.037 -0.591 0.000 0.619 99 A CB -1.723 17.087 19.000 -0.316 0.000 0.837 99 A HN 0.267 nan 8.150 nan 0.000 0.446 100 G N -0.175 108.464 108.800 -0.269 0.000 2.418 100 G HA2 0.012 3.972 3.960 0.000 0.000 0.217 100 G HA3 0.012 3.972 3.960 0.000 0.000 0.217 100 G C 1.727 176.484 174.900 -0.240 0.000 1.158 100 G CA 1.414 46.381 45.100 -0.222 0.000 0.771 100 G HN 0.771 nan 8.290 nan 0.000 0.545 101 A N 0.325 122.980 122.820 -0.275 0.000 1.948 101 A HA -0.098 4.222 4.320 0.000 0.000 0.220 101 A C 2.520 179.911 177.584 -0.321 0.000 1.177 101 A CA 2.617 54.469 52.037 -0.307 0.000 0.636 101 A CB -0.923 17.878 19.000 -0.331 0.000 0.815 101 A HN 0.325 nan 8.150 nan 0.000 0.449 102 T N -0.323 114.029 114.554 -0.336 0.000 2.770 102 T HA -0.088 4.262 4.350 0.000 0.000 0.263 102 T C 1.784 176.384 174.700 -0.166 0.000 1.039 102 T CA 1.472 63.421 62.100 -0.252 0.000 1.142 102 T CB -0.242 68.489 68.868 -0.227 0.000 0.868 102 T HN 0.668 nan 8.240 nan 0.000 0.435 103 E N 1.566 121.669 120.200 -0.160 0.000 2.110 103 E HA -0.088 4.262 4.350 0.000 0.000 0.193 103 E C 2.233 178.766 176.600 -0.111 0.000 0.988 103 E CA 1.421 57.755 56.400 -0.111 0.000 0.804 103 E CB -0.119 29.518 29.700 -0.105 0.000 0.745 103 E HN 0.529 nan 8.360 nan 0.000 0.458 104 S N 0.082 115.694 115.700 -0.147 0.000 2.650 104 S HA 0.334 4.804 4.470 0.000 0.000 0.219 104 S C 1.038 175.540 174.600 -0.164 0.000 0.960 104 S CA 0.183 58.295 58.200 -0.147 0.000 0.925 104 S CB 0.252 63.344 63.200 -0.179 0.000 0.775 104 S HN 0.288 nan 8.310 nan 0.000 0.525 105 A N 1.077 123.805 122.820 -0.153 0.000 2.640 105 A HA -0.217 4.103 4.320 0.000 0.000 0.300 105 A C 1.256 178.736 177.584 -0.173 0.000 1.499 105 A CA 1.144 53.100 52.037 -0.134 0.000 0.759 105 A CB -2.146 16.801 19.000 -0.088 0.000 1.048 105 A HN 0.673 nan 8.150 nan 0.000 0.450 106 R N -0.779 119.568 120.500 -0.255 0.000 2.437 106 R HA 0.331 4.671 4.340 0.000 0.000 0.257 106 R C 0.865 177.037 176.300 -0.213 0.000 0.927 106 R CA 0.632 56.535 56.100 -0.330 0.000 1.078 106 R CB 0.603 30.486 30.300 -0.695 0.000 1.161 106 R HN 0.900 nan 8.270 nan 0.000 0.529 107 A N 2.093 124.769 122.820 -0.240 0.000 2.539 107 A HA 0.385 4.705 4.320 0.000 0.000 0.306 107 A C 0.247 177.808 177.584 -0.038 0.000 1.392 107 A CA -0.330 51.501 52.037 -0.343 0.000 1.060 107 A CB -0.122 18.413 19.000 -0.776 0.000 1.134 107 A HN 0.088 nan 8.150 nan 0.000 0.542 108 V N 0.317 120.331 119.914 0.167 0.000 3.074 108 V HA 1.003 5.123 4.120 0.000 0.000 0.314 108 V C 0.634 176.930 176.094 0.336 0.000 1.117 108 V CA -0.103 62.344 62.300 0.246 0.000 1.014 108 V CB 0.753 32.657 31.823 0.136 0.000 1.057 108 V HN 2.458 nan 8.190 nan 0.000 0.438 109 G N 1.838 110.771 108.800 0.221 0.000 2.645 109 G HA2 -0.198 3.762 3.960 0.000 0.000 0.246 109 G HA3 -0.198 3.762 3.960 0.000 0.000 0.246 109 G C -0.203 174.748 174.900 0.084 0.000 1.322 109 G CA 0.408 45.595 45.100 0.144 0.000 0.898 109 G HN 1.195 nan 8.290 nan 0.000 0.573 110 E N 1.069 121.285 120.200 0.027 0.000 2.122 110 E HA 0.301 4.651 4.350 0.000 0.000 0.288 110 E C 0.955 177.539 176.600 -0.027 0.000 1.260 110 E CA -0.037 56.309 56.400 -0.089 0.000 1.344 110 E CB -0.303 29.380 29.700 -0.028 0.000 1.337 110 E HN 0.596 nan 8.360 nan 0.000 0.484 111 Y N -0.396 120.009 120.300 0.175 0.000 2.651 111 Y HA -0.092 4.458 4.550 -0.000 0.000 0.296 111 Y C 1.526 177.680 175.900 0.424 0.000 1.150 111 Y CA 0.471 58.734 58.100 0.271 0.000 1.348 111 Y CB -0.340 38.241 38.460 0.203 0.000 0.983 111 Y HN 0.113 nan 8.280 nan 0.000 0.555 112 S N -1.603 114.224 115.700 0.212 0.000 2.572 112 S HA 0.288 4.758 4.470 0.000 0.000 0.228 112 S C 0.164 174.805 174.600 0.069 0.000 0.963 112 S CA -0.714 57.653 58.200 0.279 0.000 0.939 112 S CB 0.026 63.222 63.200 -0.006 0.000 0.804 112 S HN 0.337 nan 8.310 nan 0.000 0.480 113 K N 1.002 121.430 120.400 0.047 0.000 2.208 113 K HA 0.598 4.918 4.320 0.000 0.000 0.247 113 K C -0.967 175.450 176.600 -0.306 0.000 0.953 113 K CA -0.745 55.471 56.287 -0.118 0.000 0.837 113 K CB 1.530 33.970 32.500 -0.100 0.000 1.131 113 K HN 0.198 nan 8.250 nan 0.000 0.431 114 I N 3.353 123.610 120.570 -0.521 0.000 2.359 114 I HA 0.212 4.382 4.170 0.000 0.000 0.294 114 I C -1.949 173.808 176.117 -0.600 0.000 0.987 114 I CA -2.471 58.247 61.300 -0.970 0.000 1.225 114 I CB 1.700 39.035 38.000 -1.108 0.000 1.366 114 I HN 0.317 nan 8.210 nan 0.000 0.466 115 P HA 0.000 nan 4.420 nan 0.000 0.277 115 P C 0.131 177.279 177.300 -0.254 0.000 1.617 115 P CA 0.376 63.303 63.100 -0.288 0.000 0.829 115 P CB -0.043 31.545 31.700 -0.187 0.000 1.774 116 D N 1.009 121.243 120.400 -0.277 0.000 2.084 116 D HA -0.039 4.601 4.640 0.000 0.000 0.196 116 D C 1.685 177.926 176.300 -0.098 0.000 0.985 116 D CA 1.988 55.877 54.000 -0.185 0.000 0.826 116 D CB -0.434 40.249 40.800 -0.196 0.000 0.978 116 D HN 0.183 nan 8.370 nan 0.000 0.456 117 G N -0.389 108.359 108.800 -0.085 0.000 2.171 117 G HA2 -0.242 3.718 3.960 0.000 0.000 0.238 117 G HA3 -0.242 3.718 3.960 0.000 0.000 0.238 117 G C 0.575 175.454 174.900 -0.036 0.000 1.039 117 G CA 0.687 45.763 45.100 -0.040 0.000 0.759 117 G HN 0.382 nan 8.290 nan 0.000 0.501 118 L N -0.069 121.119 121.223 -0.058 0.000 2.356 118 L HA 0.599 4.939 4.340 0.000 0.000 0.193 118 L C 1.576 178.409 176.870 -0.063 0.000 1.087 118 L CA 1.597 56.403 54.840 -0.056 0.000 0.817 118 L CB 0.177 42.195 42.059 -0.068 0.000 1.035 118 L HN 0.731 nan 8.230 nan 0.000 0.482 119 V N -2.088 117.773 119.914 -0.088 0.000 2.539 119 V HA 0.371 4.491 4.120 0.000 0.000 0.292 119 V C 1.073 177.126 176.094 -0.068 0.000 1.045 119 V CA -0.670 61.558 62.300 -0.120 0.000 0.945 119 V CB 1.167 32.869 31.823 -0.202 0.000 0.993 119 V HN 0.321 nan 8.190 nan 0.000 0.464 120 K N 2.571 122.945 120.400 -0.043 0.000 2.148 120 K HA 0.166 4.486 4.320 0.000 0.000 0.204 120 K C 0.070 176.792 176.600 0.204 0.000 1.050 120 K CA 1.607 57.953 56.287 0.098 0.000 0.942 120 K CB -0.028 32.587 32.500 0.192 0.000 0.724 120 K HN 0.835 nan 8.250 nan 0.000 0.446 121 F N -1.687 118.273 119.950 0.018 0.000 2.693 121 F HA 0.505 5.032 4.527 -0.000 0.000 0.309 121 F C -1.161 174.651 175.800 0.020 0.000 1.129 121 F CA -1.201 56.815 58.000 0.027 0.000 0.948 121 F CB 1.310 40.330 39.000 0.033 0.000 1.315 121 F HN -0.152 nan 8.300 nan 0.000 0.447 122 S N 0.576 116.355 115.700 0.131 0.000 2.611 122 S HA 0.738 5.208 4.470 0.000 0.000 0.270 122 S C -2.138 172.488 174.600 0.044 0.000 1.131 122 S CA -0.781 57.420 58.200 0.003 0.000 0.826 122 S CB 1.182 64.320 63.200 -0.102 0.000 1.095 122 S HN 1.117 nan 8.310 nan 0.000 0.461 123 V N 2.411 122.314 119.914 -0.018 0.000 2.547 123 V HA 0.760 4.880 4.120 0.000 0.000 0.299 123 V C -0.872 174.969 176.094 -0.422 0.000 1.040 123 V CA -0.411 61.799 62.300 -0.151 0.000 0.913 123 V CB 1.363 33.141 31.823 -0.074 0.000 0.992 123 V HN 1.044 nan 8.190 nan 0.000 0.449 124 D N 2.597 122.672 120.400 -0.541 0.000 2.756 124 D HA 0.805 5.445 4.640 0.000 0.000 0.226 124 D C -0.759 175.071 176.300 -0.784 0.000 1.186 124 D CA -0.517 53.044 54.000 -0.732 0.000 0.845 124 D CB 2.731 43.292 40.800 -0.398 0.000 1.610 124 D HN 0.830 nan 8.370 nan 0.000 0.465 125 A N 0.800 123.026 122.820 -0.990 0.000 2.581 125 A HA 0.622 4.942 4.320 0.000 0.000 0.290 125 A C -1.616 175.741 177.584 -0.378 0.000 1.119 125 A CA -0.844 50.824 52.037 -0.614 0.000 0.670 125 A CB 1.950 20.614 19.000 -0.561 0.000 1.280 125 A HN 0.603 nan 8.150 nan 0.000 0.425 126 E N 0.705 120.859 120.200 -0.076 0.000 2.191 126 E HA 0.599 4.949 4.350 0.000 0.000 0.263 126 E C -1.425 175.268 176.600 0.154 0.000 0.881 126 E CA -0.444 56.032 56.400 0.126 0.000 0.757 126 E CB 1.038 30.942 29.700 0.341 0.000 1.147 126 E HN 0.534 nan 8.360 nan 0.000 0.414 127 I N 3.932 124.613 120.570 0.186 0.000 2.396 127 I HA 0.391 4.561 4.170 0.000 0.000 0.292 127 I C 0.156 176.310 176.117 0.063 0.000 0.999 127 I CA -0.550 60.825 61.300 0.124 0.000 1.310 127 I CB 1.266 39.334 38.000 0.112 0.000 1.404 127 I HN 0.368 nan 8.210 nan 0.000 0.496 128 R N 4.982 125.468 120.500 -0.023 0.000 2.502 128 R HA 0.449 4.789 4.340 0.000 0.000 0.300 128 R C -1.248 174.949 176.300 -0.171 0.000 0.984 128 R CA -0.718 55.282 56.100 -0.167 0.000 0.882 128 R CB 2.049 32.227 30.300 -0.203 0.000 1.180 128 R HN 0.486 nan 8.270 nan 0.000 0.444 129 E N 3.936 124.009 120.200 -0.211 0.000 2.272 129 E HA 0.412 4.762 4.350 0.000 0.000 0.269 129 E C -0.622 175.765 176.600 -0.356 0.000 0.877 129 E CA -0.736 55.477 56.400 -0.311 0.000 0.755 129 E CB 2.735 32.263 29.700 -0.286 0.000 1.192 129 E HN 0.353 nan 8.360 nan 0.000 0.422 130 I N 2.719 123.009 120.570 -0.466 0.000 2.433 130 I HA 0.432 4.602 4.170 0.000 0.000 0.292 130 I C -0.635 175.230 176.117 -0.420 0.000 1.001 130 I CA -0.647 60.474 61.300 -0.298 0.000 1.119 130 I CB 0.869 38.765 38.000 -0.173 0.000 1.289 130 I HN 0.493 nan 8.210 nan 0.000 0.438 131 Y N 3.146 123.481 120.300 0.059 0.000 2.504 131 Y HA 0.276 4.826 4.550 0.000 0.000 0.344 131 Y C -0.014 175.926 175.900 0.067 0.000 1.023 131 Y CA -0.957 57.179 58.100 0.061 0.000 1.020 131 Y CB 2.312 40.831 38.460 0.099 0.000 1.282 131 Y HN 0.530 nan 8.280 nan 0.000 0.454 132 N N 2.409 121.246 118.700 0.227 0.000 2.501 132 N HA 0.160 4.900 4.740 0.000 0.000 0.245 132 N C -1.472 174.136 175.510 0.165 0.000 0.974 132 N CA -0.399 52.742 53.050 0.152 0.000 0.941 132 N CB 0.715 39.261 38.487 0.099 0.000 1.122 132 N HN 0.414 nan 8.380 nan 0.000 0.507 133 E N 2.327 122.653 120.200 0.210 0.000 2.001 133 E HA 0.075 4.425 4.350 0.000 0.000 0.279 133 E C -0.176 176.668 176.600 0.406 0.000 1.045 133 E CA -0.334 56.253 56.400 0.312 0.000 0.833 133 E CB 0.626 30.556 29.700 0.384 0.000 1.077 133 E HN 0.661 nan 8.360 nan 0.000 0.397 134 E N 1.725 122.125 120.200 0.333 0.000 2.222 134 E HA 0.102 4.452 4.350 0.000 0.000 0.272 134 E C -0.291 176.183 176.600 -0.209 0.000 0.982 134 E CA -0.863 55.605 56.400 0.113 0.000 0.842 134 E CB 1.458 31.174 29.700 0.027 0.000 1.144 134 E HN 0.304 nan 8.360 nan 0.000 0.397 135 C N 3.845 122.542 119.300 -1.004 0.000 2.592 135 C HA 0.193 4.653 4.460 0.000 0.000 0.408 135 C C -1.997 172.426 174.990 -0.945 0.000 1.436 135 C CA -0.898 57.076 59.018 -1.740 0.000 1.595 135 C CB -1.071 25.432 27.740 -2.062 0.000 2.487 135 C HN 0.509 nan 8.230 nan 0.000 0.610 136 P HA 0.079 nan 4.420 nan 0.000 0.264 136 P C -0.495 176.387 177.300 -0.697 0.000 1.183 136 P CA 0.698 63.178 63.100 -1.034 0.000 0.763 136 P CB 0.339 30.933 31.700 -1.842 0.000 0.807 137 T N 3.009 117.297 114.554 -0.443 0.000 2.781 137 T HA 0.344 4.694 4.350 0.000 0.000 0.305 137 T C 0.168 174.729 174.700 -0.233 0.000 1.001 137 T CA -0.496 61.425 62.100 -0.298 0.000 0.950 137 T CB -0.084 68.671 68.868 -0.189 0.000 0.955 137 T HN 0.197 nan 8.240 nan 0.000 0.471 138 V N 1.769 121.560 119.914 -0.204 0.000 2.567 138 V HA 0.670 4.790 4.120 0.000 0.000 0.289 138 V C 0.442 176.495 176.094 -0.068 0.000 1.049 138 V CA -0.736 61.507 62.300 -0.095 0.000 0.969 138 V CB 1.773 33.574 31.823 -0.037 0.000 0.995 138 V HN 0.672 nan 8.190 nan 0.000 0.471 139 S N 4.498 120.176 115.700 -0.036 0.000 2.464 139 S HA 0.523 4.993 4.470 0.000 0.000 0.313 139 S C -0.521 174.067 174.600 -0.019 0.000 1.078 139 S CA -0.409 57.773 58.200 -0.029 0.000 1.096 139 S CB -1.020 62.169 63.200 -0.019 0.000 1.032 139 S HN 1.138 nan 8.310 nan 0.000 0.498 146 D N 1.347 121.736 120.400 -0.018 0.000 2.358 146 D HA 0.426 5.066 4.640 0.000 0.000 0.258 146 D C 0.902 177.199 176.300 -0.004 0.000 1.223 146 D CA 1.799 55.793 54.000 -0.011 0.000 0.886 146 D CB 1.129 41.925 40.800 -0.008 0.000 1.120 146 D HN 0.687 nan 8.370 nan 0.000 0.482 147 G N 1.832 110.633 108.800 0.002 0.000 2.179 147 G HA2 -0.144 3.816 3.960 0.000 0.000 0.220 147 G HA3 -0.144 3.816 3.960 0.000 0.000 0.220 147 G C 0.544 175.452 174.900 0.014 0.000 0.990 147 G CA 0.035 45.142 45.100 0.011 0.000 0.646 147 G HN 0.801 nan 8.290 nan 0.000 0.517 148 A N -0.354 122.469 122.820 0.006 0.000 2.466 148 A HA 0.672 4.992 4.320 0.000 0.000 0.238 148 A C 0.449 178.061 177.584 0.046 0.000 1.074 148 A CA 0.847 52.889 52.037 0.007 0.000 0.774 148 A CB 0.332 19.319 19.000 -0.022 0.000 1.015 148 A HN 0.612 nan 8.150 nan 0.000 0.498 149 Q N 0.005 119.842 119.800 0.063 0.000 2.495 149 Q HA 0.623 4.963 4.340 0.000 0.000 0.287 149 Q C -1.116 175.002 176.000 0.197 0.000 1.078 149 Q CA -0.695 55.185 55.803 0.130 0.000 0.793 149 Q CB 2.490 31.262 28.738 0.058 0.000 1.459 149 Q HN 0.900 nan 8.270 nan 0.000 0.422 150 W N -0.336 120.903 121.300 -0.102 0.000 3.042 150 W HA 0.739 5.399 4.660 -0.000 0.000 0.342 150 W C -1.408 175.050 176.519 -0.103 0.000 1.240 150 W CA -1.148 56.116 57.345 -0.135 0.000 1.166 150 W CB 0.521 29.883 29.460 -0.163 0.000 1.469 150 W HN 0.697 nan 8.180 nan 0.000 0.579 151 S N 1.294 116.916 115.700 -0.130 0.000 2.566 151 S HA 0.847 5.317 4.470 0.000 0.000 0.298 151 S C -1.461 172.991 174.600 -0.246 0.000 1.083 151 S CA -0.707 57.341 58.200 -0.253 0.000 0.978 151 S CB 2.399 65.537 63.200 -0.103 0.000 1.073 151 S HN 0.784 nan 8.310 nan 0.000 0.491 152 L N 1.044 122.155 121.223 -0.187 0.000 2.445 152 L HA 0.815 5.155 4.340 0.000 0.000 0.262 152 L C -1.242 175.804 176.870 0.293 0.000 0.974 152 L CA 0.028 54.861 54.840 -0.011 0.000 0.822 152 L CB 2.299 44.145 42.059 -0.356 0.000 1.339 152 L HN 0.862 nan 8.230 nan 0.000 0.409 153 S N 4.378 120.298 115.700 0.368 0.000 2.557 153 S HA 0.748 5.218 4.470 0.000 0.000 0.291 153 S C -1.059 173.726 174.600 0.308 0.000 1.116 153 S CA -0.323 58.124 58.200 0.411 0.000 0.992 153 S CB 1.523 65.043 63.200 0.534 0.000 1.028 153 S HN 0.428 nan 8.310 nan 0.000 0.484 154 I N 2.919 123.590 120.570 0.169 0.000 2.404 154 I HA 0.492 4.662 4.170 0.000 0.000 0.293 154 I C -0.709 175.435 176.117 0.046 0.000 0.992 154 I CA -0.348 61.008 61.300 0.092 0.000 1.149 154 I CB 1.306 39.253 38.000 -0.087 0.000 1.315 154 I HN 0.559 nan 8.210 nan 0.000 0.446 155 I N 4.783 125.461 120.570 0.180 0.000 2.411 155 I HA 0.321 4.491 4.170 0.000 0.000 0.284 155 I C -0.187 176.064 176.117 0.225 0.000 1.012 155 I CA -0.394 61.005 61.300 0.165 0.000 1.119 155 I CB 1.597 39.774 38.000 0.295 0.000 1.261 155 I HN 0.418 nan 8.210 nan 0.000 0.448 156 S N 6.325 122.084 115.700 0.099 0.000 2.498 156 S HA 0.534 5.005 4.470 0.000 0.000 0.324 156 S C -0.937 173.780 174.600 0.194 0.000 1.071 156 S CA -0.261 58.064 58.200 0.209 0.000 1.113 156 S CB 0.193 63.552 63.200 0.265 0.000 0.976 156 S HN 0.352 nan 8.310 nan 0.000 0.462 157 Y N 3.993 124.419 120.300 0.211 0.000 2.419 157 Y HA 0.420 4.970 4.550 0.000 0.000 0.328 157 Y C -2.086 173.863 175.900 0.081 0.000 1.162 157 Y CA -2.303 55.916 58.100 0.197 0.000 1.174 157 Y CB 1.302 39.912 38.460 0.250 0.000 1.228 157 Y HN 0.498 nan 8.280 nan 0.000 0.473 158 P HA 0.177 nan 4.420 nan 0.000 0.260 158 P C -0.985 176.435 177.300 0.200 0.000 1.651 158 P CA 0.521 63.686 63.100 0.108 0.000 1.139 158 P CB -0.096 31.678 31.700 0.123 0.000 1.756 159 M N 1.222 120.928 119.600 0.177 0.000 2.664 159 M HA 0.358 4.838 4.480 0.000 0.000 0.314 159 M C 0.683 177.090 176.300 0.179 0.000 1.200 159 M CA -0.854 54.556 55.300 0.183 0.000 0.916 159 M CB 1.688 34.359 32.600 0.118 0.000 1.717 159 M HN 0.055 nan 8.290 nan 0.000 0.470 160 F N 1.346 121.259 119.950 -0.062 0.000 2.163 160 F HA 0.057 4.584 4.527 -0.000 0.000 0.297 160 F C 1.797 177.454 175.800 -0.238 0.000 1.094 160 F CA 1.850 59.669 58.000 -0.303 0.000 1.290 160 F CB 0.159 38.773 39.000 -0.644 0.000 1.017 160 F HN 0.469 nan 8.300 nan 0.000 0.483 161 R N -1.505 118.929 120.500 -0.110 0.000 2.279 161 R HA 0.194 4.534 4.340 0.000 0.000 0.195 161 R C 0.146 176.442 176.300 -0.007 0.000 0.905 161 R CA 0.430 56.470 56.100 -0.100 0.000 1.044 161 R CB 0.124 30.512 30.300 0.147 0.000 1.056 161 R HN 0.053 nan 8.270 nan 0.000 0.535 162 T N 0.215 114.777 114.554 0.014 0.000 2.875 162 T HA 0.421 4.771 4.350 0.000 0.000 0.284 162 T C 0.780 175.415 174.700 -0.108 0.000 0.995 162 T CA -0.340 61.726 62.100 -0.058 0.000 1.060 162 T CB 1.990 70.820 68.868 -0.064 0.000 0.967 162 T HN 0.139 nan 8.240 nan 0.000 0.476 163 A N 2.517 125.221 122.820 -0.193 0.000 1.887 163 A HA 0.488 4.808 4.320 0.000 0.000 0.210 163 A C 0.169 177.761 177.584 0.014 0.000 1.221 163 A CA 0.815 52.804 52.037 -0.080 0.000 0.635 163 A CB -0.165 18.774 19.000 -0.102 0.000 0.881 163 A HN 0.944 nan 8.150 nan 0.000 0.456 164 Y N -4.919 115.253 120.300 -0.213 0.000 2.851 164 Y HA 0.622 5.172 4.550 0.000 0.000 0.359 164 Y C -1.483 174.176 175.900 -0.401 0.000 1.231 164 Y CA -2.701 55.251 58.100 -0.246 0.000 1.106 164 Y CB 0.060 38.510 38.460 -0.017 0.000 1.409 164 Y HN -0.007 nan 8.280 nan 0.000 0.454 165 F N 1.261 121.457 119.950 0.410 0.000 2.495 165 F HA 0.879 5.406 4.527 0.000 0.000 0.327 165 F C 0.089 176.119 175.800 0.383 0.000 1.103 165 F CA -0.879 57.284 58.000 0.271 0.000 0.949 165 F CB 2.395 41.483 39.000 0.148 0.000 1.142 165 F HN 0.818 nan 8.300 nan 0.000 0.457 166 A N 2.566 125.716 122.820 0.550 0.000 2.318 166 A HA 0.810 5.130 4.320 0.000 0.000 0.317 166 A C -1.388 176.570 177.584 0.624 0.000 1.159 166 A CA -0.663 51.712 52.037 0.562 0.000 0.799 166 A CB 1.142 20.478 19.000 0.559 0.000 1.194 166 A HN 0.544 nan 8.150 nan 0.000 0.479 167 V N 2.017 122.265 119.914 0.557 0.000 2.407 167 V HA 0.699 4.819 4.120 0.000 0.000 0.291 167 V C 0.325 176.758 176.094 0.565 0.000 1.018 167 V CA -0.214 62.420 62.300 0.557 0.000 0.842 167 V CB 1.115 33.167 31.823 0.383 0.000 0.996 167 V HN 1.224 nan 8.190 nan 0.000 0.426 168 A N 4.117 127.239 122.820 0.504 0.000 2.356 168 A HA 0.834 5.154 4.320 0.000 0.000 0.323 168 A C -0.512 177.165 177.584 0.154 0.000 1.119 168 A CA -0.721 51.479 52.037 0.273 0.000 0.790 168 A CB 1.501 20.475 19.000 -0.044 0.000 1.273 168 A HN 0.708 nan 8.150 nan 0.000 0.452 169 N N 1.619 120.264 118.700 -0.091 0.000 2.461 169 N HA 0.223 4.963 4.740 0.000 0.000 0.284 169 N C 0.427 175.807 175.510 -0.216 0.000 1.049 169 N CA -0.182 52.559 53.050 -0.515 0.000 0.889 169 N CB 2.044 39.724 38.487 -1.345 0.000 1.365 169 N HN 0.586 nan 8.380 nan 0.000 0.499 170 V N 0.069 119.876 119.914 -0.179 0.000 3.383 170 V HA 0.070 4.190 4.120 0.000 0.000 0.272 170 V C 0.361 176.388 176.094 -0.112 0.000 1.181 170 V CA 1.207 63.423 62.300 -0.141 0.000 1.171 170 V CB -0.322 31.393 31.823 -0.180 0.000 0.800 170 V HN 0.437 nan 8.190 nan 0.000 0.515 171 D N 0.338 120.639 120.400 -0.166 0.000 2.433 171 D HA 0.168 4.808 4.640 0.000 0.000 0.211 171 D C 0.687 176.923 176.300 -0.108 0.000 1.114 171 D CA 0.270 54.194 54.000 -0.127 0.000 0.837 171 D CB -0.178 40.533 40.800 -0.149 0.000 0.984 171 D HN 0.562 nan 8.370 nan 0.000 0.505 172 N N 1.216 119.846 118.700 -0.117 0.000 2.726 172 N HA -0.202 4.538 4.740 0.000 0.000 0.253 172 N C -1.133 174.306 175.510 -0.118 0.000 1.059 172 N CA 0.572 53.562 53.050 -0.100 0.000 0.701 172 N CB -0.893 37.562 38.487 -0.053 0.000 0.899 172 N HN 0.154 nan 8.380 nan 0.000 0.548 173 K N 0.603 120.890 120.400 -0.189 0.000 2.208 173 K HA 0.352 4.672 4.320 0.000 0.000 0.247 173 K C -0.159 176.500 176.600 0.098 0.000 0.953 173 K CA -0.826 55.420 56.287 -0.068 0.000 0.837 173 K CB 1.347 33.800 32.500 -0.079 0.000 1.131 173 K HN 0.236 nan 8.250 nan 0.000 0.431 174 E N 1.584 121.897 120.200 0.189 0.000 2.331 174 E HA 0.137 4.487 4.350 0.000 0.000 0.272 174 E C -0.297 176.560 176.600 0.428 0.000 1.036 174 E CA -0.424 56.128 56.400 0.252 0.000 0.864 174 E CB 1.364 31.142 29.700 0.130 0.000 1.035 174 E HN 0.387 nan 8.360 nan 0.000 0.408 175 I N 2.481 123.268 120.570 0.361 0.000 2.648 175 I HA -0.058 4.112 4.170 0.000 0.000 0.284 175 I C 0.418 176.521 176.117 -0.022 0.000 1.153 175 I CA 0.291 61.584 61.300 -0.012 0.000 1.426 175 I CB 0.478 38.264 38.000 -0.358 0.000 1.381 175 I HN 0.505 nan 8.210 nan 0.000 0.571 176 S N 6.363 122.024 115.700 -0.065 0.000 2.730 176 S HA 0.224 4.694 4.470 0.000 0.000 0.284 176 S C 0.678 175.240 174.600 -0.063 0.000 1.153 176 S CA -0.828 57.358 58.200 -0.023 0.000 0.995 176 S CB 1.588 64.800 63.200 0.021 0.000 1.058 176 S HN 0.720 nan 8.310 nan 0.000 0.552 177 L N 0.779 121.989 121.223 -0.022 0.000 2.042 177 L HA -0.056 4.284 4.340 0.000 0.000 0.210 177 L C 1.784 178.649 176.870 -0.009 0.000 1.076 177 L CA 2.062 56.896 54.840 -0.011 0.000 0.749 177 L CB -1.180 40.886 42.059 0.011 0.000 0.893 177 L HN 0.773 nan 8.230 nan 0.000 0.432 178 D N -0.747 119.649 120.400 -0.008 0.000 2.097 178 D HA -0.151 4.489 4.640 0.000 0.000 0.195 178 D C 2.246 178.530 176.300 -0.027 0.000 0.989 178 D CA 1.820 55.821 54.000 0.002 0.000 0.827 178 D CB -0.207 40.597 40.800 0.008 0.000 0.966 178 D HN 0.317 nan 8.370 nan 0.000 0.456 179 V N 1.345 121.194 119.914 -0.108 0.000 2.490 179 V HA -0.197 3.923 4.120 0.000 0.000 0.250 179 V C 2.524 178.535 176.094 -0.139 0.000 1.061 179 V CA 1.667 63.839 62.300 -0.213 0.000 1.064 179 V CB -0.766 30.693 31.823 -0.607 0.000 0.670 179 V HN 0.201 nan 8.190 nan 0.000 0.461 180 T N 0.371 114.830 114.554 -0.159 0.000 2.708 180 T HA -0.165 4.185 4.350 0.000 0.000 0.266 180 T C 1.881 176.525 174.700 -0.095 0.000 1.037 180 T CA 1.648 63.655 62.100 -0.155 0.000 1.146 180 T CB -0.382 68.414 68.868 -0.120 0.000 0.865 180 T HN 0.423 nan 8.240 nan 0.000 0.435 181 N N 1.429 120.131 118.700 0.003 0.000 2.166 181 N HA -0.102 4.638 4.740 0.000 0.000 0.186 181 N C 1.561 177.135 175.510 0.107 0.000 1.019 181 N CA 1.015 54.131 53.050 0.110 0.000 0.856 181 N CB -0.449 38.162 38.487 0.208 0.000 0.993 181 N HN 0.379 nan 8.380 nan 0.000 0.426 182 D N 0.644 121.109 120.400 0.108 0.000 2.144 182 D HA -0.117 4.523 4.640 0.000 0.000 0.199 182 D C 2.051 178.496 176.300 0.242 0.000 0.984 182 D CA 0.416 54.533 54.000 0.194 0.000 0.834 182 D CB -0.206 40.705 40.800 0.185 0.000 0.955 182 D HN 0.154 nan 8.370 nan 0.000 0.465 183 L N 0.897 122.156 121.223 0.060 0.000 2.027 183 L HA -0.074 4.266 4.340 0.000 0.000 0.206 183 L C 2.186 178.937 176.870 -0.198 0.000 1.074 183 L CA 1.285 55.903 54.840 -0.371 0.000 0.745 183 L CB -0.500 41.092 42.059 -0.779 0.000 0.898 183 L HN -0.033 nan 8.230 nan 0.000 0.433 184 I N -1.404 119.021 120.570 -0.242 0.000 2.163 184 I HA -0.303 3.867 4.170 0.000 0.000 0.243 184 I C 2.361 178.366 176.117 -0.187 0.000 1.085 184 I CA 1.399 62.495 61.300 -0.340 0.000 1.347 184 I CB -0.537 36.986 38.000 -0.794 0.000 1.044 184 I HN 0.098 nan 8.210 nan 0.000 0.408 185 V N -0.136 119.762 119.914 -0.027 0.000 2.332 185 V HA -0.300 3.820 4.120 0.000 0.000 0.248 185 V C 2.144 178.332 176.094 0.156 0.000 1.055 185 V CA 2.052 64.440 62.300 0.146 0.000 1.038 185 V CB -0.741 31.230 31.823 0.246 0.000 0.651 185 V HN 0.592 nan 8.190 nan 0.000 0.450 186 W N 0.356 121.660 121.300 0.006 0.000 2.355 186 W HA -0.165 4.495 4.660 -0.000 0.000 0.309 186 W C 2.200 178.707 176.519 -0.020 0.000 1.206 186 W CA 1.740 59.100 57.345 0.024 0.000 1.284 186 W CB -0.176 29.318 29.460 0.057 0.000 1.145 186 W HN 0.144 nan 8.180 nan 0.000 0.502 187 L N 0.370 121.703 121.223 0.183 0.000 2.109 187 L HA -0.181 4.159 4.340 0.000 0.000 0.207 187 L C 1.945 178.787 176.870 -0.047 0.000 1.086 187 L CA 1.147 56.020 54.840 0.055 0.000 0.760 187 L CB -0.953 41.166 42.059 0.099 0.000 0.910 187 L HN -0.047 nan 8.230 nan 0.000 0.437 188 N N 0.073 118.750 118.700 -0.039 0.000 2.459 188 N HA -0.097 4.643 4.740 0.000 0.000 0.181 188 N C 0.850 176.310 175.510 -0.084 0.000 1.046 188 N CA 0.787 53.788 53.050 -0.082 0.000 0.904 188 N CB -0.105 38.356 38.487 -0.044 0.000 0.964 188 N HN 0.315 nan 8.380 nan 0.000 0.444 189 N N 0.022 118.670 118.700 -0.087 0.000 2.238 189 N HA 0.124 4.864 4.740 0.000 0.000 0.235 189 N C -0.401 175.015 175.510 -0.157 0.000 1.209 189 N CA -0.126 52.872 53.050 -0.086 0.000 0.879 189 N CB 0.994 39.465 38.487 -0.027 0.000 1.136 189 N HN 0.177 nan 8.380 nan 0.000 0.517 190 L N 1.420 122.492 121.223 -0.251 0.000 2.628 190 L HA -0.069 4.271 4.340 0.000 0.000 0.274 190 L C 1.669 178.450 176.870 -0.148 0.000 1.209 190 L CA -0.265 54.377 54.840 -0.330 0.000 0.930 190 L CB 0.600 42.451 42.059 -0.346 0.000 1.183 190 L HN 0.170 nan 8.230 nan 0.000 0.492 191 A N 3.291 126.029 122.820 -0.136 0.000 1.858 191 A HA -0.121 4.199 4.320 0.000 0.000 0.216 191 A C 1.326 178.911 177.584 0.003 0.000 1.190 191 A CA 1.685 53.695 52.037 -0.045 0.000 0.617 191 A CB -0.070 18.900 19.000 -0.050 0.000 0.827 191 A HN 0.604 nan 8.150 nan 0.000 0.443 192 S N -0.459 115.234 115.700 -0.011 0.000 2.279 192 S HA 0.320 4.790 4.470 0.000 0.000 0.176 192 S C 0.503 175.136 174.600 0.054 0.000 1.554 192 S CA -0.162 58.061 58.200 0.038 0.000 1.242 192 S CB -0.176 63.018 63.200 -0.009 0.000 1.163 192 S HN 0.594 nan 8.310 nan 0.000 0.449 193 W N 5.153 126.398 121.300 -0.092 0.000 2.350 193 W HA -0.117 4.543 4.660 -0.000 0.000 0.289 193 W C 0.973 177.496 176.519 0.008 0.000 1.215 193 W CA 0.731 58.031 57.345 -0.076 0.000 1.236 193 W CB -0.663 28.778 29.460 -0.032 0.000 1.130 193 W HN 0.592 nan 8.180 nan 0.000 0.541 194 R N 0.595 120.765 120.500 -0.549 0.000 2.092 194 R HA -0.122 4.218 4.340 0.000 0.000 0.231 194 R C 1.963 178.146 176.300 -0.195 0.000 1.119 194 R CA 1.811 57.592 56.100 -0.531 0.000 0.970 194 R CB -0.434 29.567 30.300 -0.499 0.000 0.864 194 R HN 0.054 nan 8.270 nan 0.000 0.440 195 D N -0.011 120.319 120.400 -0.116 0.000 2.144 195 D HA -0.110 4.530 4.640 0.000 0.000 0.200 195 D C 1.902 178.202 176.300 0.001 0.000 0.978 195 D CA 1.063 55.041 54.000 -0.036 0.000 0.833 195 D CB 0.104 40.897 40.800 -0.012 0.000 0.961 195 D HN 0.028 nan 8.370 nan 0.000 0.470 196 V N 0.816 120.694 119.914 -0.060 0.000 2.307 196 V HA -0.191 3.929 4.120 0.000 0.000 0.245 196 V C 2.698 178.806 176.094 0.023 0.000 1.045 196 V CA 0.966 63.199 62.300 -0.112 0.000 1.024 196 V CB -0.451 31.211 31.823 -0.269 0.000 0.651 196 V HN 0.034 nan 8.190 nan 0.000 0.449 197 V N 0.320 120.205 119.914 -0.047 0.000 2.295 197 V HA -0.236 3.884 4.120 0.000 0.000 0.246 197 V C 2.144 178.196 176.094 -0.070 0.000 1.049 197 V CA 2.153 64.387 62.300 -0.110 0.000 1.024 197 V CB -0.714 30.911 31.823 -0.330 0.000 0.648 197 V HN 0.560 nan 8.190 nan 0.000 0.447 198 D N 0.308 120.693 120.400 -0.026 0.000 2.384 198 D HA -0.092 4.548 4.640 0.000 0.000 0.222 198 D C 2.251 178.581 176.300 0.049 0.000 0.976 198 D CA 1.434 55.449 54.000 0.025 0.000 0.915 198 D CB -0.051 40.769 40.800 0.033 0.000 0.896 198 D HN 0.641 nan 8.370 nan 0.000 0.523 199 S N -0.828 114.930 115.700 0.096 0.000 2.458 199 S HA 0.157 4.627 4.470 0.000 0.000 0.223 199 S C 1.926 176.580 174.600 0.090 0.000 1.019 199 S CA 0.724 59.001 58.200 0.129 0.000 0.937 199 S CB 0.108 63.466 63.200 0.263 0.000 0.788 199 S HN 0.243 nan 8.310 nan 0.000 0.511 200 G N 1.137 109.980 108.800 0.072 0.000 2.166 200 G HA2 -0.234 3.726 3.960 0.000 0.000 0.260 200 G HA3 -0.234 3.726 3.960 0.000 0.000 0.260 200 G C -0.025 174.850 174.900 -0.041 0.000 0.986 200 G CA 0.533 45.622 45.100 -0.018 0.000 0.683 200 G HN 0.571 nan 8.290 nan 0.000 0.527 201 Q N -1.433 118.408 119.800 0.068 0.000 2.199 201 Q HA 0.518 4.858 4.340 0.000 0.000 0.232 201 Q C 0.075 176.113 176.000 0.064 0.000 0.969 201 Q CA -0.737 55.059 55.803 -0.010 0.000 0.925 201 Q CB 0.745 29.410 28.738 -0.122 0.000 1.198 201 Q HN 0.422 nan 8.270 nan 0.000 0.494 202 W N 0.767 122.080 121.300 0.022 0.000 2.287 202 W HA 0.319 4.979 4.660 -0.000 0.000 0.313 202 W C -0.451 176.161 176.519 0.154 0.000 1.267 202 W CA -0.211 57.231 57.345 0.161 0.000 1.201 202 W CB 0.537 30.017 29.460 0.033 0.000 1.196 202 W HN 0.346 nan 8.180 nan 0.000 0.536 203 F N 1.547 121.827 119.950 0.550 0.000 2.522 203 F HA 0.410 4.937 4.527 -0.000 0.000 0.324 203 F C 0.598 176.495 175.800 0.162 0.000 1.077 203 F CA -0.834 57.373 58.000 0.345 0.000 0.944 203 F CB 1.599 40.768 39.000 0.281 0.000 1.175 203 F HN -0.041 nan 8.300 nan 0.000 0.468 204 T N 3.858 118.483 114.554 0.117 0.000 2.845 204 T HA 0.263 4.613 4.350 0.000 0.000 0.288 204 T C 0.227 174.793 174.700 -0.222 0.000 0.980 204 T CA -0.242 61.667 62.100 -0.318 0.000 1.071 204 T CB 0.412 68.997 68.868 -0.471 0.000 0.941 204 T HN 0.491 nan 8.240 nan 0.000 0.487 205 F N -0.050 119.678 119.950 -0.371 0.000 2.746 205 F HA 0.653 5.180 4.527 0.000 0.000 0.320 205 F C 0.522 176.239 175.800 -0.138 0.000 1.097 205 F CA -0.838 56.911 58.000 -0.419 0.000 1.195 205 F CB 0.223 38.754 39.000 -0.782 0.000 1.056 205 F HN 0.462 nan 8.300 nan 0.000 0.562 206 S N -0.068 115.280 115.700 -0.586 0.000 2.709 206 S HA 0.293 4.763 4.470 0.000 0.000 0.302 206 S C 0.531 175.023 174.600 -0.180 0.000 1.127 206 S CA -0.501 57.500 58.200 -0.331 0.000 0.905 206 S CB 1.057 63.955 63.200 -0.504 0.000 1.151 206 S HN 0.189 nan 8.310 nan 0.000 0.510 207 D N 0.750 121.100 120.400 -0.084 0.000 2.178 207 D HA -0.059 4.581 4.640 0.000 0.000 0.202 207 D C 0.128 176.394 176.300 -0.056 0.000 0.974 207 D CA 0.784 54.760 54.000 -0.040 0.000 0.841 207 D CB -0.242 40.555 40.800 -0.006 0.000 0.953 207 D HN 0.509 nan 8.370 nan 0.000 0.478 208 D N 1.182 121.551 120.400 -0.051 0.000 2.358 208 D HA 0.022 4.662 4.640 0.000 0.000 0.258 208 D C -1.785 174.449 176.300 -0.109 0.000 1.223 208 D CA -1.701 52.298 54.000 -0.001 0.000 0.886 208 D CB 1.788 42.703 40.800 0.192 0.000 1.120 208 D HN -0.055 nan 8.370 nan 0.000 0.482 209 P HA -0.017 nan 4.420 nan 0.000 0.242 209 P C 1.000 178.148 177.300 -0.253 0.000 1.197 209 P CA 0.706 63.686 63.100 -0.201 0.000 0.765 209 P CB 0.170 31.813 31.700 -0.095 0.000 0.936 210 T N -6.496 107.935 114.554 -0.204 0.000 3.081 210 T HA 0.015 4.365 4.350 0.000 0.000 0.250 210 T C 0.159 174.681 174.700 -0.296 0.000 1.100 210 T CA -0.247 61.742 62.100 -0.185 0.000 1.038 210 T CB -0.555 68.151 68.868 -0.270 0.000 0.962 210 T HN -0.030 nan 8.240 nan 0.000 0.516 211 W N 1.218 122.258 121.300 -0.435 0.000 2.361 211 W HA 0.647 5.307 4.660 -0.000 0.000 0.309 211 W C -0.951 175.104 176.519 -0.772 0.000 1.122 211 W CA -1.432 55.646 57.345 -0.445 0.000 1.208 211 W CB 0.615 29.701 29.460 -0.623 0.000 1.246 211 W HN -0.040 nan 8.180 nan 0.000 0.490 212 F N 2.532 122.616 119.950 0.224 0.000 2.588 212 F HA 0.692 5.219 4.527 0.000 0.000 0.314 212 F C -0.288 175.902 175.800 0.650 0.000 1.069 212 F CA -1.381 56.800 58.000 0.302 0.000 0.931 212 F CB 1.327 40.326 39.000 -0.002 0.000 1.260 212 F HN 0.013 nan 8.300 nan 0.000 0.465 213 V N 2.431 122.846 119.914 0.836 0.000 3.040 213 V HA 0.801 4.921 4.120 0.000 0.000 0.312 213 V C -1.451 175.010 176.094 0.611 0.000 1.115 213 V CA -0.665 61.994 62.300 0.598 0.000 0.998 213 V CB 2.386 34.199 31.823 -0.017 0.000 1.042 213 V HN 0.863 nan 8.190 nan 0.000 0.433 214 R N 4.557 125.295 120.500 0.395 0.000 2.522 214 R HA 0.521 4.861 4.340 0.000 0.000 0.273 214 R C -2.056 174.314 176.300 0.118 0.000 1.133 214 R CA -0.598 55.574 56.100 0.121 0.000 0.969 214 R CB 1.630 31.640 30.300 -0.483 0.000 1.235 214 R HN 0.767 nan 8.270 nan 0.000 0.433 215 I N 4.692 125.332 120.570 0.116 0.000 2.331 215 I HA 0.432 4.602 4.170 0.000 0.000 0.292 215 I C 0.078 176.016 176.117 -0.299 0.000 0.998 215 I CA -0.916 60.416 61.300 0.054 0.000 1.267 215 I CB 1.253 39.417 38.000 0.273 0.000 1.386 215 I HN 0.318 nan 8.210 nan 0.000 0.476 216 R N 5.680 125.828 120.500 -0.585 0.000 2.393 216 R HA 0.621 4.961 4.340 0.000 0.000 0.310 216 R C -0.556 175.358 176.300 -0.645 0.000 0.968 216 R CA -0.656 54.924 56.100 -0.865 0.000 0.867 216 R CB 2.045 31.478 30.300 -1.444 0.000 1.124 216 R HN 0.536 nan 8.270 nan 0.000 0.450 217 V N -0.164 119.392 119.914 -0.596 0.000 3.177 217 V HA 0.626 4.746 4.120 0.000 0.000 0.319 217 V C -0.008 175.847 176.094 -0.398 0.000 1.125 217 V CA -1.178 60.799 62.300 -0.538 0.000 1.029 217 V CB 1.814 33.060 31.823 -0.961 0.000 1.119 217 V HN 0.546 nan 8.190 nan 0.000 0.452 218 L N 2.075 123.113 121.223 -0.308 0.000 2.321 218 L HA 0.479 4.819 4.340 0.000 0.000 0.272 218 L C 1.369 178.135 176.870 -0.173 0.000 1.050 218 L CA -0.586 54.143 54.840 -0.185 0.000 0.893 218 L CB 0.210 42.178 42.059 -0.151 0.000 1.272 218 L HN 0.756 nan 8.230 nan 0.000 0.435 219 H N 2.024 121.083 119.070 -0.019 0.000 2.353 219 H HA -0.131 4.425 4.556 -0.000 0.000 0.298 219 H C -0.616 174.732 175.328 0.034 0.000 1.103 219 H CA 1.763 57.836 56.048 0.043 0.000 1.293 219 H CB -0.942 28.836 29.762 0.027 0.000 1.372 219 H HN 0.472 nan 8.280 nan 0.000 0.501 220 P HA -0.113 nan 4.420 nan 0.000 0.220 220 P C 1.395 178.715 177.300 0.035 0.000 1.144 220 P CA 2.433 65.586 63.100 0.089 0.000 0.800 220 P CB 0.006 31.758 31.700 0.086 0.000 0.772 221 T N -6.583 107.893 114.554 -0.131 0.000 2.987 221 T HA 0.021 4.371 4.350 0.000 0.000 0.248 221 T C 1.687 176.286 174.700 -0.168 0.000 0.997 221 T CA -0.110 61.800 62.100 -0.317 0.000 1.013 221 T CB -1.118 67.150 68.868 -0.999 0.000 1.077 221 T HN 0.001 nan 8.240 nan 0.000 0.483 222 Y N 2.756 122.927 120.300 -0.216 0.000 2.314 222 Y HA 0.036 4.586 4.550 -0.000 0.000 0.293 222 Y C 1.193 177.041 175.900 -0.087 0.000 1.129 222 Y CA 1.286 59.295 58.100 -0.150 0.000 1.201 222 Y CB -0.352 37.980 38.460 -0.214 0.000 0.999 222 Y HN 0.066 nan 8.280 nan 0.000 0.541 223 D N 0.880 121.327 120.400 0.079 0.000 2.392 223 D HA -0.008 4.632 4.640 0.000 0.000 0.228 223 D C -0.285 175.957 176.300 -0.097 0.000 1.003 223 D CA 0.855 54.861 54.000 0.009 0.000 0.917 223 D CB -0.149 40.726 40.800 0.125 0.000 0.890 223 D HN 0.308 nan 8.370 nan 0.000 0.532 224 L N 1.555 122.707 121.223 -0.118 0.000 2.295 224 L HA 0.321 4.661 4.340 0.000 0.000 0.281 224 L C -2.372 174.423 176.870 -0.126 0.000 1.018 224 L CA -1.848 52.929 54.840 -0.104 0.000 0.841 224 L CB 1.950 43.969 42.059 -0.067 0.000 1.218 224 L HN -0.362 nan 8.230 nan 0.000 0.424 225 P HA 0.095 nan 4.420 nan 0.000 0.271 225 P C -0.618 176.657 177.300 -0.043 0.000 1.216 225 P CA -0.194 62.837 63.100 -0.114 0.000 0.771 225 P CB 0.829 32.458 31.700 -0.119 0.000 0.864 226 D N 2.557 122.956 120.400 -0.001 0.000 2.615 226 D HA 0.170 4.810 4.640 0.000 0.000 0.236 226 D C -2.002 174.336 176.300 0.065 0.000 1.233 226 D CA -1.085 52.937 54.000 0.037 0.000 0.829 226 D CB -0.779 40.055 40.800 0.057 0.000 1.024 226 D HN 0.259 nan 8.370 nan 0.000 0.490 227 P HA 0.018 nan 4.420 nan 0.000 0.264 227 P C 1.070 178.417 177.300 0.078 0.000 1.183 227 P CA 0.207 63.340 63.100 0.055 0.000 0.763 227 P CB 1.019 32.725 31.700 0.009 0.000 0.807 228 T N 1.665 116.293 114.554 0.122 0.000 2.746 228 T HA -0.147 4.203 4.350 0.000 0.000 0.267 228 T C 1.255 175.993 174.700 0.063 0.000 1.039 228 T CA 1.609 63.795 62.100 0.144 0.000 1.142 228 T CB -0.337 68.629 68.868 0.164 0.000 0.866 228 T HN 0.528 nan 8.240 nan 0.000 0.444 229 E N 1.430 121.644 120.200 0.023 0.000 2.150 229 E HA 0.100 4.450 4.350 0.000 0.000 0.193 229 E C 1.409 178.011 176.600 0.003 0.000 0.985 229 E CA 0.458 56.858 56.400 0.000 0.000 0.814 229 E CB -0.890 28.796 29.700 -0.023 0.000 0.752 229 E HN 0.470 nan 8.360 nan 0.000 0.466 230 G N 0.901 109.705 108.800 0.006 0.000 2.414 230 G HA2 0.100 4.060 3.960 0.000 0.000 0.236 230 G HA3 0.100 4.060 3.960 0.000 0.000 0.236 230 G C 0.248 175.151 174.900 0.005 0.000 1.293 230 G CA -0.422 44.676 45.100 -0.002 0.000 0.869 230 G HN 0.197 nan 8.290 nan 0.000 0.556 231 L N 1.150 122.370 121.223 -0.005 0.000 2.645 231 L HA 0.190 4.530 4.340 0.000 0.000 0.235 231 L C 0.342 177.208 176.870 -0.006 0.000 1.150 231 L CA -0.139 54.700 54.840 -0.002 0.000 0.911 231 L CB -0.416 41.638 42.059 -0.008 0.000 1.077 231 L HN 0.235 nan 8.230 nan 0.000 0.438 232 L N 0.378 121.596 121.223 -0.008 0.000 2.346 232 L HA 0.569 4.909 4.340 0.000 0.000 0.276 232 L C -0.395 176.473 176.870 -0.004 0.000 1.006 232 L CA -0.158 54.670 54.840 -0.019 0.000 0.817 232 L CB 1.293 43.329 42.059 -0.039 0.000 1.272 232 L HN -0.047 nan 8.230 nan 0.000 0.421 233 R N 1.594 122.091 120.500 -0.005 0.000 2.867 233 R HA 0.632 4.972 4.340 0.000 0.000 0.268 233 R C 0.024 176.346 176.300 0.037 0.000 1.014 233 R CA 0.111 56.228 56.100 0.028 0.000 0.946 233 R CB 1.743 32.072 30.300 0.048 0.000 1.208 233 R HN 0.835 nan 8.270 nan 0.000 0.477 234 T N -2.608 112.021 114.554 0.125 0.000 3.610 234 T HA 0.321 4.671 4.350 0.000 0.000 0.209 234 T C 0.919 175.860 174.700 0.402 0.000 0.889 234 T CA 0.439 62.722 62.100 0.304 0.000 1.469 234 T CB -0.322 68.784 68.868 0.397 0.000 1.557 234 T HN 0.422 nan 8.240 nan 0.000 0.431 235 V N -1.159 118.916 119.914 0.269 0.000 3.130 235 V HA 0.762 4.882 4.120 0.000 0.000 0.310 235 V C 1.245 177.391 176.094 0.085 0.000 1.158 235 V CA -0.415 62.020 62.300 0.226 0.000 1.029 235 V CB 1.240 33.232 31.823 0.282 0.000 1.057 235 V HN 0.476 nan 8.190 nan 0.000 0.436 236 S N 0.541 116.293 115.700 0.087 0.000 2.361 236 S HA -0.013 4.457 4.470 0.000 0.000 0.214 236 S C 0.538 175.136 174.600 -0.002 0.000 1.034 236 S CA 1.718 59.939 58.200 0.033 0.000 1.025 236 S CB -0.321 62.903 63.200 0.041 0.000 0.996 236 S HN 0.969 nan 8.310 nan 0.000 0.422 237 D N -0.974 119.432 120.400 0.010 0.000 2.423 237 D HA 0.584 5.224 4.640 0.000 0.000 0.235 237 D C -0.669 175.679 176.300 0.080 0.000 1.011 237 D CA -0.328 53.674 54.000 0.002 0.000 0.963 237 D CB 1.637 42.404 40.800 -0.056 0.000 1.349 237 D HN 0.547 nan 8.370 nan 0.000 0.508 238 Y N -2.076 118.139 120.300 -0.141 0.000 2.840 238 Y HA 0.718 5.268 4.550 -0.000 0.000 0.324 238 Y C -1.415 174.476 175.900 -0.015 0.000 1.378 238 Y CA -1.255 56.808 58.100 -0.062 0.000 1.077 238 Y CB 1.622 39.972 38.460 -0.183 0.000 1.361 238 Y HN 0.390 nan 8.280 nan 0.000 0.459 239 R N 1.539 121.972 120.500 -0.112 0.000 2.644 239 R HA 0.442 4.782 4.340 0.000 0.000 0.257 239 R C -2.393 174.029 176.300 0.204 0.000 1.082 239 R CA -0.826 55.184 56.100 -0.150 0.000 0.927 239 R CB 1.157 31.428 30.300 -0.049 0.000 1.258 239 R HN 0.873 nan 8.270 nan 0.000 0.459 240 L N 2.930 124.297 121.223 0.239 0.000 2.331 240 L HA 0.260 4.600 4.340 0.000 0.000 0.278 240 L C 1.544 178.565 176.870 0.251 0.000 1.106 240 L CA -0.230 54.797 54.840 0.311 0.000 0.824 240 L CB 1.640 43.878 42.059 0.298 0.000 1.142 240 L HN 0.994 nan 8.230 nan 0.000 0.443 241 T N -0.975 113.681 114.554 0.170 0.000 3.065 241 T HA 0.114 4.464 4.350 0.000 0.000 0.252 241 T C -0.145 174.896 174.700 0.568 0.000 1.099 241 T CA 0.141 62.373 62.100 0.222 0.000 1.063 241 T CB 0.012 68.961 68.868 0.136 0.000 0.948 241 T HN 0.582 nan 8.240 nan 0.000 0.506 242 Y N -1.823 118.733 120.300 0.427 0.000 2.755 242 Y HA 0.650 5.200 4.550 0.000 0.000 0.368 242 Y C -1.544 174.533 175.900 0.295 0.000 1.177 242 Y CA -2.146 56.180 58.100 0.377 0.000 1.290 242 Y CB 0.495 39.140 38.460 0.308 0.000 1.415 242 Y HN 0.136 nan 8.280 nan 0.000 0.501 243 K N 2.211 122.915 120.400 0.507 0.000 2.569 243 K HA 0.734 5.054 4.320 0.000 0.000 0.259 243 K C -1.801 175.074 176.600 0.458 0.000 0.932 243 K CA -0.164 56.387 56.287 0.440 0.000 0.833 243 K CB 2.056 34.708 32.500 0.253 0.000 1.340 243 K HN 1.375 nan 8.250 nan 0.000 0.429 244 S N 3.756 119.718 115.700 0.436 0.000 2.556 244 S HA 0.688 5.158 4.470 0.000 0.000 0.271 244 S C -0.949 173.872 174.600 0.368 0.000 1.135 244 S CA -0.856 57.554 58.200 0.349 0.000 0.858 244 S CB 1.224 64.609 63.200 0.308 0.000 1.114 244 S HN 0.508 nan 8.310 nan 0.000 0.468 245 I N 1.762 122.499 120.570 0.278 0.000 2.499 245 I HA 0.381 4.551 4.170 0.000 0.000 0.288 245 I C -0.752 175.505 176.117 0.233 0.000 1.048 245 I CA -0.524 60.911 61.300 0.225 0.000 1.062 245 I CB 2.648 40.713 38.000 0.109 0.000 1.238 245 I HN 0.678 nan 8.210 nan 0.000 0.426 246 T N 4.570 119.253 114.554 0.216 0.000 2.756 246 T HA 0.236 4.586 4.350 0.000 0.000 0.290 246 T C -0.369 174.358 174.700 0.045 0.000 0.985 246 T CA -0.289 61.908 62.100 0.162 0.000 0.955 246 T CB 0.387 69.303 68.868 0.081 0.000 0.930 246 T HN 0.527 nan 8.240 nan 0.000 0.451 247 C N 4.264 123.567 119.300 0.004 0.000 2.135 247 C HA 0.360 4.820 4.460 0.000 0.000 0.345 247 C C 0.976 175.923 174.990 -0.071 0.000 1.067 247 C CA -1.031 57.969 59.018 -0.030 0.000 1.517 247 C CB -1.555 26.226 27.740 0.068 0.000 1.923 247 C HN 0.831 nan 8.230 nan 0.000 0.466 248 E N 1.968 122.128 120.200 -0.067 0.000 2.249 248 E HA 0.538 4.888 4.350 0.000 0.000 0.280 248 E C -0.069 176.480 176.600 -0.085 0.000 1.016 248 E CA -0.333 56.027 56.400 -0.068 0.000 0.830 248 E CB 1.071 30.747 29.700 -0.040 0.000 1.081 248 E HN 0.764 nan 8.360 nan 0.000 0.395 249 A N 4.343 127.119 122.820 -0.074 0.000 2.409 249 A HA 0.154 4.474 4.320 0.000 0.000 0.262 249 A C -0.101 177.469 177.584 -0.023 0.000 1.113 249 A CA -0.411 51.585 52.037 -0.067 0.000 0.790 249 A CB 0.220 19.202 19.000 -0.030 0.000 1.046 249 A HN 0.620 nan 8.150 nan 0.000 0.496 250 N N 2.716 121.410 118.700 -0.010 0.000 2.851 250 N HA 0.472 5.212 4.740 0.000 0.000 0.248 250 N C -0.678 174.850 175.510 0.030 0.000 1.221 250 N CA -0.342 52.717 53.050 0.014 0.000 0.847 250 N CB 0.025 38.525 38.487 0.022 0.000 1.150 250 N HN 0.703 nan 8.380 nan 0.000 0.507 251 M N -0.169 119.449 119.600 0.030 0.000 2.691 251 M HA 0.783 5.263 4.480 0.000 0.000 0.293 251 M C -2.580 173.741 176.300 0.033 0.000 1.259 251 M CA -1.759 53.565 55.300 0.040 0.000 0.827 251 M CB 1.020 33.649 32.600 0.049 0.000 1.753 251 M HN -0.074 nan 8.290 nan 0.000 0.465 252 P HA 0.432 nan 4.420 nan 0.000 0.276 252 P C 0.014 177.333 177.300 0.031 0.000 1.261 252 P CA -0.479 62.637 63.100 0.027 0.000 0.800 252 P CB 0.735 32.450 31.700 0.025 0.000 1.066 253 T N -0.363 114.207 114.554 0.026 0.000 2.942 253 T HA 0.002 4.352 4.350 0.000 0.000 0.265 253 T C 1.642 176.360 174.700 0.030 0.000 1.062 253 T CA 0.954 63.071 62.100 0.028 0.000 1.139 253 T CB -0.466 68.416 68.868 0.023 0.000 0.883 253 T HN 0.217 nan 8.240 nan 0.000 0.468 254 L N 1.316 122.555 121.223 0.027 0.000 2.109 254 L HA 0.069 4.409 4.340 0.000 0.000 0.207 254 L C 0.971 177.861 176.870 0.032 0.000 1.086 254 L CA 0.661 55.517 54.840 0.026 0.000 0.760 254 L CB -0.203 41.868 42.059 0.021 0.000 0.910 254 L HN 0.187 nan 8.230 nan 0.000 0.437 255 V N -2.226 117.710 119.914 0.037 0.000 2.235 255 V HA 0.283 4.403 4.120 0.000 0.000 0.266 255 V C -0.745 175.383 176.094 0.057 0.000 1.055 255 V CA -0.705 61.622 62.300 0.045 0.000 0.844 255 V CB 0.434 32.283 31.823 0.043 0.000 1.097 255 V HN 0.246 nan 8.190 nan 0.000 0.453 256 D N 1.538 121.975 120.400 0.061 0.000 2.755 256 D HA 0.239 4.879 4.640 0.000 0.000 0.257 256 D C 0.403 176.759 176.300 0.093 0.000 1.291 256 D CA -0.384 53.660 54.000 0.074 0.000 0.836 256 D CB 0.431 41.272 40.800 0.070 0.000 1.059 256 D HN 0.623 nan 8.370 nan 0.000 0.486 257 Q N 0.479 120.335 119.800 0.092 0.000 2.414 257 Q HA 0.629 4.969 4.340 0.000 0.000 0.206 257 Q C 0.884 176.962 176.000 0.130 0.000 1.058 257 Q CA -0.451 55.421 55.803 0.114 0.000 1.025 257 Q CB 0.444 29.243 28.738 0.102 0.000 1.196 257 Q HN 0.300 nan 8.270 nan 0.000 0.586 258 G N -0.703 108.202 108.800 0.175 0.000 2.640 258 G HA2 0.272 4.232 3.960 0.000 0.000 0.686 258 G HA3 0.272 4.232 3.960 0.000 0.000 0.686 258 G C -1.277 173.810 174.900 0.312 0.000 1.229 258 G CA -0.614 44.565 45.100 0.133 0.000 0.796 258 G HN 0.905 nan 8.290 nan 0.000 0.654 259 F N -0.781 119.290 119.950 0.202 0.000 2.626 259 F HA 0.958 5.485 4.527 -0.000 0.000 0.311 259 F C -0.214 175.800 175.800 0.355 0.000 1.088 259 F CA -1.713 56.418 58.000 0.219 0.000 0.949 259 F CB 1.331 40.364 39.000 0.056 0.000 1.322 259 F HN 0.974 nan 8.300 nan 0.000 0.461 260 W N 1.961 123.431 121.300 0.284 0.000 3.040 260 W HA 0.879 5.539 4.660 -0.000 0.000 0.344 260 W C -2.256 174.237 176.519 -0.043 0.000 1.201 260 W CA -1.682 55.649 57.345 -0.024 0.000 1.119 260 W CB 1.374 30.478 29.460 -0.593 0.000 1.478 260 W HN 0.949 nan 8.180 nan 0.000 0.586 261 I N 0.577 121.017 120.570 -0.217 0.000 2.841 261 I HA 0.743 4.913 4.170 0.000 0.000 0.298 261 I C -0.715 175.289 176.117 -0.188 0.000 1.304 261 I CA -0.455 60.591 61.300 -0.423 0.000 1.019 261 I CB 2.232 39.764 38.000 -0.780 0.000 1.282 261 I HN 0.744 nan 8.210 nan 0.000 0.432 262 G N 3.096 111.821 108.800 -0.125 0.000 2.692 262 G HA2 0.820 4.780 3.960 0.000 0.000 0.291 262 G HA3 0.820 4.780 3.960 0.000 0.000 0.291 262 G C -1.322 173.477 174.900 -0.169 0.000 1.423 262 G CA -0.401 44.620 45.100 -0.132 0.000 0.843 262 G HN 1.040 nan 8.290 nan 0.000 0.486 263 G N -1.030 107.631 108.800 -0.232 0.000 2.489 263 G HA2 0.545 4.505 3.960 0.000 0.000 0.291 263 G HA3 0.545 4.505 3.960 0.000 0.000 0.291 263 G C -2.045 172.604 174.900 -0.419 0.000 1.487 263 G CA -0.836 44.102 45.100 -0.270 0.000 0.795 263 G HN 0.775 nan 8.290 nan 0.000 0.513 264 H N -1.023 117.776 119.070 -0.452 0.000 2.573 264 H HA 0.755 5.311 4.556 0.000 0.000 0.351 264 H C -1.120 173.816 175.328 -0.653 0.000 1.163 264 H CA -0.143 55.688 56.048 -0.363 0.000 1.205 264 H CB 1.788 31.388 29.762 -0.270 0.000 1.605 264 H HN 0.503 nan 8.280 nan 0.000 0.525 265 Y N -0.644 119.685 120.300 0.049 0.000 2.553 265 Y HA 0.534 5.084 4.550 0.000 0.000 0.347 265 Y C -0.472 175.466 175.900 0.063 0.000 1.019 265 Y CA -1.337 56.783 58.100 0.033 0.000 1.032 265 Y CB 1.807 40.264 38.460 -0.006 0.000 1.284 265 Y HN 0.733 nan 8.280 nan 0.000 0.466 266 A N 3.865 126.802 122.820 0.195 0.000 2.621 266 A HA 0.633 4.953 4.320 0.000 0.000 0.329 266 A C -1.124 176.556 177.584 0.159 0.000 1.458 266 A CA -0.367 51.758 52.037 0.146 0.000 1.052 266 A CB -0.883 18.173 19.000 0.094 0.000 1.142 266 A HN 0.669 nan 8.150 nan 0.000 0.523 267 L N 2.393 123.724 121.223 0.181 0.000 2.298 267 L HA 0.466 4.806 4.340 0.000 0.000 0.284 267 L C -0.139 176.839 176.870 0.180 0.000 1.013 267 L CA -0.268 54.684 54.840 0.187 0.000 0.824 267 L CB 1.818 44.020 42.059 0.239 0.000 1.221 267 L HN 0.441 nan 8.230 nan 0.000 0.418 268 T N 3.270 117.902 114.554 0.131 0.000 2.829 268 T HA 0.515 4.865 4.350 0.000 0.000 0.280 268 T C -2.429 172.317 174.700 0.076 0.000 0.999 268 T CA -1.247 60.911 62.100 0.097 0.000 0.983 268 T CB 2.048 70.954 68.868 0.065 0.000 0.968 268 T HN 0.289 nan 8.240 nan 0.000 0.446 269 P HA 0.568 nan 4.420 nan 0.000 0.279 269 P C -0.987 176.312 177.300 -0.001 0.000 1.252 269 P CA -0.706 62.401 63.100 0.012 0.000 0.811 269 P CB 0.580 32.265 31.700 -0.025 0.000 1.035 270 I N 0.796 121.357 120.570 -0.014 0.000 2.406 270 I HA 0.462 4.632 4.170 0.000 0.000 0.290 270 I C -0.019 176.077 176.117 -0.035 0.000 0.999 270 I CA -0.658 60.632 61.300 -0.016 0.000 1.124 270 I CB 1.367 39.362 38.000 -0.008 0.000 1.289 270 I HN 0.302 nan 8.210 nan 0.000 0.441 271 A N 4.787 127.587 122.820 -0.033 0.000 2.269 271 A HA 0.700 5.020 4.320 0.000 0.000 0.302 271 A C 0.191 177.750 177.584 -0.043 0.000 1.266 271 A CA -0.211 51.800 52.037 -0.043 0.000 0.894 271 A CB -0.077 18.902 19.000 -0.035 0.000 1.147 271 A HN 0.727 nan 8.150 nan 0.000 0.537 272 T N -0.622 113.899 114.554 -0.056 0.000 2.930 272 T HA 0.636 4.986 4.350 0.000 0.000 0.290 272 T C 0.164 174.819 174.700 -0.075 0.000 1.052 272 T CA -0.416 61.650 62.100 -0.057 0.000 1.017 272 T CB 1.430 70.265 68.868 -0.055 0.000 1.137 272 T HN 0.592 nan 8.240 nan 0.000 0.511 273 T N 0.526 115.033 114.554 -0.080 0.000 2.907 273 T HA 0.168 4.518 4.350 0.000 0.000 0.298 273 T C 0.934 175.549 174.700 -0.140 0.000 1.017 273 T CA -0.173 61.863 62.100 -0.107 0.000 1.118 273 T CB 0.856 69.663 68.868 -0.101 0.000 0.948 273 T HN 0.822 nan 8.240 nan 0.000 0.531 274 Q N 3.078 122.765 119.800 -0.190 0.000 2.376 274 Q HA 0.118 4.458 4.340 0.000 0.000 0.206 274 Q C 0.705 176.532 176.000 -0.288 0.000 0.921 274 Q CA 0.406 56.072 55.803 -0.228 0.000 0.911 274 Q CB 0.182 28.762 28.738 -0.263 0.000 1.032 274 Q HN 0.906 nan 8.270 nan 0.000 0.510 275 N N -1.891 116.611 118.700 -0.331 0.000 3.343 275 N HA 0.622 5.362 4.740 0.000 0.000 0.330 275 N C -1.580 173.730 175.510 -0.334 0.000 1.560 275 N CA -0.911 51.901 53.050 -0.397 0.000 0.752 275 N CB 1.269 39.424 38.487 -0.553 0.000 1.863 275 N HN -0.027 nan 8.380 nan 0.000 0.636 276 A N 0.268 122.820 122.820 -0.447 0.000 2.331 276 A HA 0.517 4.837 4.320 0.000 0.000 0.320 276 A C 0.719 178.209 177.584 -0.156 0.000 1.138 276 A CA -0.796 51.072 52.037 -0.280 0.000 0.790 276 A CB 1.438 20.278 19.000 -0.267 0.000 1.206 276 A HN 0.480 nan 8.150 nan 0.000 0.470 277 V N 1.558 121.474 119.914 0.003 0.000 2.343 277 V HA -0.090 4.030 4.120 0.000 0.000 0.247 277 V C 1.084 177.316 176.094 0.230 0.000 1.051 277 V CA 2.435 64.782 62.300 0.079 0.000 1.036 277 V CB -0.849 30.999 31.823 0.041 0.000 0.654 277 V HN 0.970 nan 8.190 nan 0.000 0.451 278 E N -1.633 118.741 120.200 0.290 0.000 2.446 278 E HA 0.614 4.964 4.350 0.000 0.000 0.276 278 E C -0.315 176.407 176.600 0.205 0.000 0.969 278 E CA -0.255 56.280 56.400 0.225 0.000 0.800 278 E CB 2.450 32.191 29.700 0.067 0.000 1.341 278 E HN 0.283 nan 8.360 nan 0.000 0.460 279 G N 0.220 108.902 108.800 -0.196 0.000 2.347 279 G HA2 0.268 4.228 3.960 0.000 0.000 0.341 279 G HA3 0.268 4.228 3.960 0.000 0.000 0.341 279 G C -1.069 173.411 174.900 -0.701 0.000 1.287 279 G CA -0.378 44.549 45.100 -0.288 0.000 0.984 279 G HN 1.124 nan 8.290 nan 0.000 0.526 280 S N -1.339 114.115 115.700 -0.411 0.000 2.566 280 S HA 0.852 5.322 4.470 0.000 0.000 0.298 280 S C 0.917 175.396 174.600 -0.203 0.000 1.083 280 S CA 0.454 58.422 58.200 -0.385 0.000 0.978 280 S CB 1.892 64.954 63.200 -0.229 0.000 1.073 280 S HN 2.913 nan 8.310 nan 0.000 0.491 281 G N 0.189 108.905 108.800 -0.140 0.000 2.179 281 G HA2 -0.173 3.787 3.960 0.000 0.000 0.220 281 G HA3 -0.173 3.787 3.960 0.000 0.000 0.220 281 G C -0.176 174.812 174.900 0.146 0.000 0.990 281 G CA -0.528 44.553 45.100 -0.031 0.000 0.646 281 G HN 0.576 nan 8.290 nan 0.000 0.517 282 F N 1.124 121.066 119.950 -0.014 0.000 2.629 282 F HA 0.380 4.907 4.527 0.000 0.000 0.369 282 F C 1.391 177.229 175.800 0.064 0.000 1.125 282 F CA -0.437 57.561 58.000 -0.004 0.000 1.330 282 F CB 0.528 39.528 39.000 0.000 0.000 1.071 282 F HN 0.379 nan 8.300 nan 0.000 0.595 283 V N 1.210 121.227 119.914 0.171 0.000 2.509 283 V HA 0.446 4.566 4.120 0.000 0.000 0.284 283 V C -0.782 175.409 176.094 0.162 0.000 1.047 283 V CA -0.708 61.730 62.300 0.230 0.000 0.952 283 V CB 1.270 33.205 31.823 0.187 0.000 0.988 283 V HN 0.658 nan 8.190 nan 0.000 0.469 284 H N 4.228 123.516 119.070 0.364 0.000 2.675 284 H HA 0.515 5.071 4.556 0.000 0.000 0.258 284 H C -2.787 172.893 175.328 0.586 0.000 1.271 284 H CA -1.757 54.493 56.048 0.336 0.000 1.462 284 H CB 1.064 30.888 29.762 0.103 0.000 1.467 284 H HN 0.569 nan 8.280 nan 0.000 0.501 285 P HA -0.025 nan 4.420 nan 0.000 0.268 285 P C -0.654 177.031 177.300 0.641 0.000 1.205 285 P CA -0.059 63.384 63.100 0.573 0.000 0.771 285 P CB 0.567 32.467 31.700 0.333 0.000 0.858 286 F N 3.589 123.798 119.950 0.433 0.000 2.402 286 F HA 0.431 4.958 4.527 0.000 0.000 0.355 286 F C -0.265 175.621 175.800 0.145 0.000 1.123 286 F CA -0.460 57.632 58.000 0.153 0.000 1.021 286 F CB 0.652 39.538 39.000 -0.189 0.000 1.160 286 F HN 0.156 nan 8.300 nan 0.000 0.451 287 N N 5.602 124.086 118.700 -0.361 0.000 2.314 287 N HA 0.396 5.136 4.740 0.000 0.000 0.294 287 N C -1.917 173.421 175.510 -0.287 0.000 1.029 287 N CA -0.329 52.614 53.050 -0.177 0.000 0.845 287 N CB 2.291 40.749 38.487 -0.048 0.000 1.321 287 N HN 0.406 nan 8.380 nan 0.000 0.481 288 V N 2.364 122.240 119.914 -0.062 0.000 2.370 288 V HA 0.335 4.455 4.120 0.000 0.000 0.279 288 V C 0.572 176.714 176.094 0.080 0.000 1.029 288 V CA -0.569 61.747 62.300 0.027 0.000 0.870 288 V CB 0.996 32.919 31.823 0.167 0.000 0.984 288 V HN 0.733 nan 8.190 nan 0.000 0.451 289 T N 5.711 120.313 114.554 0.079 0.000 2.792 289 T HA 0.489 4.839 4.350 0.000 0.000 0.280 289 T C -0.442 174.355 174.700 0.162 0.000 0.990 289 T CA -0.728 61.445 62.100 0.123 0.000 0.960 289 T CB 0.748 69.656 68.868 0.067 0.000 0.939 289 T HN 0.704 nan 8.240 nan 0.000 0.439 290 R N 5.396 126.028 120.500 0.221 0.000 2.310 290 R HA 0.357 4.697 4.340 0.000 0.000 0.316 290 R C -2.093 174.360 176.300 0.255 0.000 1.004 290 R CA -2.234 53.983 56.100 0.194 0.000 0.900 290 R CB 1.099 31.497 30.300 0.163 0.000 1.152 290 R HN 0.443 nan 8.270 nan 0.000 0.513 291 P HA -0.100 nan 4.420 nan 0.000 0.217 291 P C 0.298 177.659 177.300 0.103 0.000 1.148 291 P CA 1.147 64.406 63.100 0.265 0.000 0.828 291 P CB 0.399 32.201 31.700 0.170 0.000 0.783 292 G N -2.454 106.376 108.800 0.050 0.000 2.896 292 G HA2 0.291 4.251 3.960 0.000 0.000 0.247 292 G HA3 0.291 4.251 3.960 0.000 0.000 0.247 292 G C 0.030 174.934 174.900 0.007 0.000 1.187 292 G CA -0.350 44.749 45.100 -0.002 0.000 0.837 292 G HN -0.136 nan 8.290 nan 0.000 0.559 293 I N 2.010 122.585 120.570 0.009 0.000 2.500 293 I HA 0.264 4.434 4.170 0.000 0.000 0.252 293 I C 2.103 178.229 176.117 0.014 0.000 1.142 293 I CA 0.891 62.200 61.300 0.016 0.000 1.451 293 I CB -0.475 37.539 38.000 0.023 0.000 1.093 293 I HN 0.490 nan 8.210 nan 0.000 0.430 294 A N 0.252 123.083 122.820 0.019 0.000 2.346 294 A HA 0.464 4.784 4.320 0.000 0.000 0.255 294 A C 1.647 179.213 177.584 -0.031 0.000 1.113 294 A CA 0.406 52.445 52.037 0.004 0.000 0.798 294 A CB -0.106 18.912 19.000 0.031 0.000 1.073 294 A HN 0.331 nan 8.150 nan 0.000 0.502 295 A N 0.169 122.952 122.820 -0.061 0.000 2.206 295 A HA 0.386 4.706 4.320 0.000 0.000 0.211 295 A C 1.333 178.896 177.584 -0.035 0.000 1.158 295 A CA 0.833 52.859 52.037 -0.018 0.000 0.761 295 A CB -1.107 17.880 19.000 -0.022 0.000 0.801 295 A HN 1.516 nan 8.150 nan 0.000 0.473 296 G N -0.059 108.618 108.800 -0.206 0.000 2.432 296 G HA2 0.456 4.416 3.960 0.000 0.000 0.239 296 G HA3 0.456 4.416 3.960 0.000 0.000 0.239 296 G C -0.083 174.662 174.900 -0.258 0.000 1.291 296 G CA 0.655 45.430 45.100 -0.542 0.000 0.863 296 G HN 1.206 nan 8.290 nan 0.000 0.560 297 V N -1.091 118.673 119.914 -0.251 0.000 3.216 297 V HA 0.879 4.999 4.120 0.000 0.000 0.302 297 V C -0.401 175.791 176.094 0.163 0.000 1.286 297 V CA -1.031 61.312 62.300 0.073 0.000 1.048 297 V CB 1.858 33.824 31.823 0.239 0.000 1.081 297 V HN 0.687 nan 8.190 nan 0.000 0.442 298 T N 3.494 118.142 114.554 0.157 0.000 2.864 298 T HA 0.609 4.959 4.350 0.000 0.000 0.299 298 T C -0.457 174.290 174.700 0.078 0.000 1.011 298 T CA -0.250 61.932 62.100 0.136 0.000 0.975 298 T CB 0.731 69.635 68.868 0.061 0.000 0.962 298 T HN 0.680 nan 8.240 nan 0.000 0.448 299 L N 3.366 124.644 121.223 0.091 0.000 2.290 299 L HA 0.624 4.964 4.340 0.000 0.000 0.284 299 L C 0.711 177.485 176.870 -0.160 0.000 1.078 299 L CA -0.490 54.286 54.840 -0.107 0.000 0.815 299 L CB 0.940 42.983 42.059 -0.026 0.000 1.162 299 L HN 0.583 nan 8.230 nan 0.000 0.435 300 T N 1.816 116.166 114.554 -0.340 0.000 3.031 300 T HA 0.252 4.602 4.350 0.000 0.000 0.305 300 T C -1.491 173.153 174.700 -0.093 0.000 0.985 300 T CA -0.453 61.573 62.100 -0.123 0.000 1.008 300 T CB 0.733 69.558 68.868 -0.070 0.000 1.005 300 T HN 0.482 nan 8.240 nan 0.000 0.444 301 W N 6.287 127.589 121.300 0.002 0.000 2.309 301 W HA 0.681 5.341 4.660 -0.000 0.000 0.332 301 W C 0.334 176.925 176.519 0.120 0.000 0.962 301 W CA -1.945 55.440 57.345 0.065 0.000 1.497 301 W CB -0.252 29.223 29.460 0.026 0.000 1.308 301 W HN 1.015 nan 8.180 nan 0.000 0.384 302 A N 4.177 127.216 122.820 0.366 0.000 2.592 302 A HA 0.144 4.464 4.320 0.000 0.000 0.250 302 A C 1.301 179.013 177.584 0.213 0.000 1.017 302 A CA 1.837 54.015 52.037 0.235 0.000 0.794 302 A CB -0.122 19.015 19.000 0.229 0.000 0.917 302 A HN 1.155 nan 8.150 nan 0.000 0.515 303 S N 0.082 115.866 115.700 0.140 0.000 3.358 303 S HA -0.160 4.310 4.470 0.000 0.000 0.309 303 S C 0.341 175.085 174.600 0.240 0.000 1.247 303 S CA 1.490 59.787 58.200 0.161 0.000 0.961 303 S CB -1.450 61.843 63.200 0.154 0.000 1.074 303 S HN 0.746 nan 8.310 nan 0.000 0.625 304 M N 0.966 120.595 119.600 0.048 0.000 2.233 304 M HA 0.340 4.820 4.480 0.000 0.000 0.355 304 M C -2.383 173.869 176.300 -0.079 0.000 1.191 304 M CA -2.496 52.654 55.300 -0.250 0.000 1.101 304 M CB -0.248 31.909 32.600 -0.738 0.000 1.592 304 M HN -0.211 nan 8.290 nan 0.000 0.461 305 P HA -0.020 nan 4.420 nan 0.000 0.261 305 P C -2.346 175.071 177.300 0.196 0.000 1.165 305 P CA -0.262 62.846 63.100 0.013 0.000 0.759 305 P CB -0.322 31.329 31.700 -0.081 0.000 0.772 306 P HA 0.318 nan 4.420 nan 0.000 0.274 306 P C 0.160 177.645 177.300 0.309 0.000 1.231 306 P CA 0.375 63.594 63.100 0.197 0.000 0.790 306 P CB 1.096 32.822 31.700 0.044 0.000 0.951 307 G N -0.772 108.277 108.800 0.415 0.000 2.350 307 G HA2 0.505 4.465 3.960 0.000 0.000 0.276 307 G HA3 0.505 4.465 3.960 0.000 0.000 0.276 307 G C -0.495 174.847 174.900 0.737 0.000 1.313 307 G CA 0.685 46.067 45.100 0.469 0.000 0.903 307 G HN 0.866 nan 8.290 nan 0.000 0.490 308 G N -1.823 107.345 108.800 0.613 0.000 2.707 308 G HA2 0.520 4.480 3.960 0.000 0.000 0.686 308 G HA3 0.520 4.480 3.960 0.000 0.000 0.686 308 G C -0.078 175.099 174.900 0.462 0.000 1.315 308 G CA 0.704 46.147 45.100 0.571 0.000 0.832 308 G HN 2.675 nan 8.290 nan 0.000 0.573 309 S N -0.714 115.110 115.700 0.207 0.000 2.564 309 S HA 1.053 5.523 4.470 0.000 0.000 0.274 309 S C -0.227 174.356 174.600 -0.029 0.000 1.124 309 S CA 0.497 58.808 58.200 0.185 0.000 0.869 309 S CB 2.042 65.343 63.200 0.167 0.000 1.105 309 S HN 2.644 nan 8.310 nan 0.000 0.472 310 A N 1.693 124.551 122.820 0.063 0.000 2.475 310 A HA 0.909 5.229 4.320 0.000 0.000 0.301 310 A C -3.044 174.630 177.584 0.151 0.000 1.059 310 A CA -1.607 50.461 52.037 0.052 0.000 0.710 310 A CB 0.157 19.186 19.000 0.048 0.000 1.288 310 A HN 0.698 nan 8.150 nan 0.000 0.408 311 P HA 0.301 nan 4.420 nan 0.000 0.271 311 P C 0.069 177.446 177.300 0.128 0.000 1.233 311 P CA -0.129 63.039 63.100 0.114 0.000 0.789 311 P CB 0.624 32.380 31.700 0.092 0.000 0.951 312 S N -0.346 115.413 115.700 0.098 0.000 2.610 312 S HA 0.713 5.183 4.470 0.000 0.000 0.273 312 S C 0.153 174.792 174.600 0.064 0.000 1.274 312 S CA 0.449 58.703 58.200 0.089 0.000 1.023 312 S CB 0.003 63.246 63.200 0.072 0.000 0.962 312 S HN 0.749 nan 8.310 nan 0.000 0.523 313 G N 1.741 110.572 108.800 0.052 0.000 2.364 313 G HA2 0.323 4.283 3.960 0.000 0.000 0.286 313 G HA3 0.323 4.283 3.960 0.000 0.000 0.286 313 G C -2.116 172.794 174.900 0.016 0.000 1.241 313 G CA -0.413 44.704 45.100 0.028 0.000 0.887 313 G HN 0.640 nan 8.290 nan 0.000 0.484 314 D N 0.986 121.386 120.400 0.001 0.000 2.365 314 D HA 0.474 5.114 4.640 0.000 0.000 0.235 314 D C -2.301 173.994 176.300 -0.009 0.000 1.368 314 D CA -0.536 53.465 54.000 0.002 0.000 1.001 314 D CB 1.810 42.619 40.800 0.016 0.000 1.364 314 D HN 0.195 nan 8.370 nan 0.000 0.577 315 P HA 0.650 nan 4.420 nan 0.000 0.275 315 P C -1.251 175.977 177.300 -0.120 0.000 1.266 315 P CA -0.665 62.403 63.100 -0.054 0.000 0.793 315 P CB 0.907 32.582 31.700 -0.042 0.000 1.074 316 A N -0.448 122.318 122.820 -0.089 0.000 2.475 316 A HA 0.552 4.872 4.320 0.000 0.000 0.301 316 A C -1.559 176.032 177.584 0.012 0.000 1.059 316 A CA -0.749 51.259 52.037 -0.049 0.000 0.710 316 A CB 0.553 19.591 19.000 0.064 0.000 1.288 316 A HN 0.521 nan 8.150 nan 0.000 0.408 317 W N 0.966 122.354 121.300 0.146 0.000 2.190 317 W HA 0.533 5.193 4.660 -0.000 0.000 0.330 317 W C -0.104 176.664 176.519 0.415 0.000 1.299 317 W CA 0.356 57.867 57.345 0.276 0.000 1.215 317 W CB 0.642 30.211 29.460 0.182 0.000 1.147 317 W HN 0.394 nan 8.180 nan 0.000 0.563 318 I N 4.816 125.801 120.570 0.691 0.000 2.533 318 I HA 0.256 4.426 4.170 0.000 0.000 0.290 318 I C -2.049 173.994 176.117 -0.123 0.000 1.056 318 I CA -2.683 58.792 61.300 0.291 0.000 1.057 318 I CB 2.141 40.221 38.000 0.134 0.000 1.240 318 I HN 0.037 nan 8.210 nan 0.000 0.423 319 P HA 0.038 nan 4.420 nan 0.000 0.267 319 P C -0.649 176.290 177.300 -0.602 0.000 1.205 319 P CA 0.240 62.568 63.100 -1.287 0.000 0.765 319 P CB 1.332 32.399 31.700 -1.055 0.000 0.828 320 D N 0.762 120.831 120.400 -0.551 0.000 2.571 320 D HA 0.228 4.868 4.640 0.000 0.000 0.239 320 D C -0.703 175.446 176.300 -0.253 0.000 1.267 320 D CA -0.225 53.600 54.000 -0.292 0.000 0.823 320 D CB 0.177 40.868 40.800 -0.182 0.000 1.056 320 D HN 0.254 nan 8.370 nan 0.000 0.494 321 S N -1.661 113.862 115.700 -0.296 0.000 2.606 321 S HA 0.205 4.675 4.470 0.000 0.000 0.290 321 S C 0.288 174.772 174.600 -0.193 0.000 1.103 321 S CA -0.174 57.902 58.200 -0.206 0.000 0.870 321 S CB 0.420 63.516 63.200 -0.172 0.000 1.077 321 S HN 0.048 nan 8.310 nan 0.000 0.448 322 T N 0.547 115.022 114.554 -0.132 0.000 3.054 322 T HA 0.213 4.563 4.350 0.000 0.000 0.255 322 T C 1.258 175.917 174.700 -0.070 0.000 1.035 322 T CA 0.735 62.777 62.100 -0.098 0.000 0.941 322 T CB 0.063 68.884 68.868 -0.078 0.000 1.026 322 T HN 0.481 nan 8.240 nan 0.000 0.533 323 T N 2.121 116.627 114.554 -0.080 0.000 2.983 323 T HA 0.170 4.520 4.350 0.000 0.000 0.250 323 T C 0.592 175.259 174.700 -0.055 0.000 1.037 323 T CA 0.490 62.545 62.100 -0.075 0.000 1.142 323 T CB 0.054 68.861 68.868 -0.102 0.000 0.876 323 T HN 0.739 nan 8.240 nan 0.000 0.455 324 Q N -0.837 118.935 119.800 -0.047 0.000 2.707 324 Q HA 0.508 4.848 4.340 0.000 0.000 0.307 324 Q C -1.243 174.781 176.000 0.040 0.000 0.934 324 Q CA -1.074 54.737 55.803 0.013 0.000 0.753 324 Q CB 0.588 29.334 28.738 0.013 0.000 1.478 324 Q HN 0.128 nan 8.270 nan 0.000 0.458 325 F N 1.852 121.791 119.950 -0.019 0.000 2.538 325 F HA 0.155 4.682 4.527 0.000 0.000 0.382 325 F C -0.358 175.452 175.800 0.016 0.000 1.069 325 F CA 1.112 59.119 58.000 0.012 0.000 1.138 325 F CB 0.312 39.294 39.000 -0.030 0.000 1.068 325 F HN 0.543 nan 8.300 nan 0.000 0.556 326 Q N 6.023 125.557 119.800 -0.444 0.000 2.331 326 Q HA 0.289 4.629 4.340 0.000 0.000 0.249 326 Q C -2.157 173.560 176.000 -0.472 0.000 0.913 326 Q CA -0.572 55.044 55.803 -0.312 0.000 0.874 326 Q CB 0.847 29.471 28.738 -0.190 0.000 1.384 326 Q HN 0.704 nan 8.270 nan 0.000 0.427 327 W N 2.619 123.696 121.300 -0.371 0.000 2.902 327 W HA 0.735 5.395 4.660 0.000 0.000 0.346 327 W C -0.339 176.234 176.519 0.089 0.000 1.139 327 W CA -0.418 56.826 57.345 -0.169 0.000 1.139 327 W CB 1.704 30.997 29.460 -0.278 0.000 1.439 327 W HN 0.738 nan 8.180 nan 0.000 0.558 328 R N 0.752 121.568 120.500 0.527 0.000 2.741 328 R HA 0.655 4.995 4.340 0.000 0.000 0.274 328 R C -1.276 175.287 176.300 0.439 0.000 1.029 328 R CA -1.000 55.375 56.100 0.458 0.000 0.880 328 R CB 2.254 32.660 30.300 0.178 0.000 1.264 328 R HN 0.622 nan 8.270 nan 0.000 0.465 329 H N -1.475 117.654 119.070 0.097 0.000 3.014 329 H HA 0.458 5.014 4.556 0.000 0.000 0.337 329 H C -1.259 174.037 175.328 -0.053 0.000 1.320 329 H CA -0.602 55.407 56.048 -0.066 0.000 1.128 329 H CB 2.052 31.586 29.762 -0.380 0.000 1.862 329 H HN 0.893 nan 8.280 nan 0.000 0.536 330 G N 0.464 109.189 108.800 -0.124 0.000 4.250 330 G HA2 0.367 4.327 3.960 0.000 0.000 0.295 330 G HA3 0.367 4.327 3.960 0.000 0.000 0.295 330 G C 0.409 175.301 174.900 -0.012 0.000 1.081 330 G CA 0.004 45.022 45.100 -0.138 0.000 0.854 330 G HN 0.826 nan 8.290 nan 0.000 0.524 331 G N -0.460 108.421 108.800 0.134 0.000 2.636 331 G HA2 0.298 4.258 3.960 0.000 0.000 0.246 331 G HA3 0.298 4.258 3.960 0.000 0.000 0.246 331 G C 0.587 175.577 174.900 0.149 0.000 1.216 331 G CA -0.483 44.721 45.100 0.174 0.000 0.854 331 G HN 0.114 nan 8.290 nan 0.000 0.572 332 F N -0.021 119.945 119.950 0.028 0.000 2.186 332 F HA 0.101 4.628 4.527 0.000 0.000 0.299 332 F C 0.742 176.561 175.800 0.031 0.000 1.090 332 F CA 1.241 59.252 58.000 0.018 0.000 1.307 332 F CB 0.080 39.085 39.000 0.009 0.000 1.019 332 F HN 0.463 nan 8.300 nan 0.000 0.489 333 D N -0.820 119.494 120.400 -0.143 0.000 2.566 333 D HA 0.542 5.182 4.640 0.000 0.000 0.254 333 D C -0.987 175.263 176.300 -0.083 0.000 1.090 333 D CA -0.374 53.493 54.000 -0.222 0.000 1.034 333 D CB 1.735 42.404 40.800 -0.219 0.000 1.434 333 D HN 0.226 nan 8.370 nan 0.000 0.509 334 A N 1.385 124.145 122.820 -0.100 0.000 2.531 334 A HA 0.412 4.732 4.320 0.000 0.000 0.236 334 A C -2.203 175.211 177.584 -0.284 0.000 1.062 334 A CA -0.512 51.411 52.037 -0.190 0.000 0.760 334 A CB -0.413 18.541 19.000 -0.076 0.000 0.995 334 A HN 0.453 nan 8.150 nan 0.000 0.501 335 P HA 0.202 nan 4.420 nan 0.000 0.272 335 P C 0.754 177.955 177.300 -0.166 0.000 1.230 335 P CA -0.092 62.748 63.100 -0.432 0.000 0.788 335 P CB 0.543 31.743 31.700 -0.833 0.000 0.949 336 T N -0.700 113.808 114.554 -0.076 0.000 3.009 336 T HA 0.084 4.434 4.350 0.000 0.000 0.258 336 T C 1.178 175.912 174.700 0.056 0.000 1.063 336 T CA 0.793 62.892 62.100 -0.001 0.000 1.139 336 T CB -0.501 68.370 68.868 0.004 0.000 0.890 336 T HN 0.574 nan 8.240 nan 0.000 0.471 337 G N 0.979 109.825 108.800 0.077 0.000 2.716 337 G HA2 0.427 4.387 3.960 0.000 0.000 0.251 337 G HA3 0.427 4.387 3.960 0.000 0.000 0.251 337 G C -0.901 174.168 174.900 0.281 0.000 1.224 337 G CA -0.224 44.971 45.100 0.160 0.000 0.891 337 G HN 0.280 nan 8.290 nan 0.000 0.561 338 V N 0.476 120.503 119.914 0.188 0.000 2.808 338 V HA 0.292 4.412 4.120 0.000 0.000 0.308 338 V C -0.063 175.976 176.094 -0.092 0.000 1.099 338 V CA -0.604 61.742 62.300 0.076 0.000 0.920 338 V CB 1.975 33.815 31.823 0.028 0.000 1.014 338 V HN 0.637 nan 8.190 nan 0.000 0.425 339 I N 3.209 123.577 120.570 -0.337 0.000 2.471 339 I HA 0.283 4.454 4.170 0.000 0.000 0.286 339 I C 0.281 176.339 176.117 -0.098 0.000 1.079 339 I CA 0.374 61.411 61.300 -0.437 0.000 1.398 339 I CB 0.978 38.460 38.000 -0.863 0.000 1.403 339 I HN 0.547 nan 8.210 nan 0.000 0.530 340 T N 6.087 120.616 114.554 -0.042 0.000 2.758 340 T HA 0.366 4.716 4.350 0.000 0.000 0.285 340 T C -0.907 173.924 174.700 0.218 0.000 0.981 340 T CA -0.383 61.757 62.100 0.067 0.000 0.965 340 T CB 0.660 69.545 68.868 0.028 0.000 0.927 340 T HN 0.326 nan 8.240 nan 0.000 0.448 341 Y N 1.925 122.301 120.300 0.127 0.000 2.462 341 Y HA 0.545 5.095 4.550 0.000 0.000 0.346 341 Y C -0.424 175.543 175.900 0.113 0.000 0.976 341 Y CA -0.757 57.467 58.100 0.206 0.000 1.044 341 Y CB 1.841 40.529 38.460 0.380 0.000 1.230 341 Y HN 0.529 nan 8.280 nan 0.000 0.455 342 T N 7.034 121.331 114.554 -0.429 0.000 2.770 342 T HA 0.375 4.725 4.350 0.000 0.000 0.283 342 T C -0.430 173.931 174.700 -0.565 0.000 0.988 342 T CA -0.571 61.319 62.100 -0.350 0.000 0.957 342 T CB 0.280 69.023 68.868 -0.207 0.000 0.930 342 T HN 0.389 nan 8.240 nan 0.000 0.443 343 I N 5.785 126.195 120.570 -0.267 0.000 2.752 343 I HA 0.094 4.264 4.170 0.000 0.000 0.286 343 I C -1.947 174.071 176.117 -0.165 0.000 1.180 343 I CA -2.369 58.831 61.300 -0.167 0.000 1.404 343 I CB -0.657 37.363 38.000 0.034 0.000 1.389 343 I HN 0.308 nan 8.210 nan 0.000 0.549 344 P HA 0.149 nan 4.420 nan 0.000 0.271 344 P C -0.130 177.220 177.300 0.083 0.000 1.233 344 P CA -0.404 62.641 63.100 -0.092 0.000 0.789 344 P CB 0.531 32.139 31.700 -0.153 0.000 0.951 345 R N 0.686 121.236 120.500 0.084 0.000 2.643 345 R HA 0.383 4.723 4.340 0.000 0.000 0.270 345 R C 1.198 177.588 176.300 0.151 0.000 1.061 345 R CA 0.799 56.952 56.100 0.088 0.000 1.107 345 R CB -0.488 29.837 30.300 0.042 0.000 0.999 345 R HN 0.868 nan 8.270 nan 0.000 0.460 346 G N 1.124 109.958 108.800 0.056 0.000 2.141 346 G HA2 -0.283 3.677 3.960 0.000 0.000 0.242 346 G HA3 -0.283 3.677 3.960 0.000 0.000 0.242 346 G C -0.684 174.046 174.900 -0.284 0.000 0.982 346 G CA -0.254 44.793 45.100 -0.088 0.000 0.662 346 G HN 0.557 nan 8.290 nan 0.000 0.527 347 Y N 0.786 121.060 120.300 -0.043 0.000 2.526 347 Y HA 0.522 5.072 4.550 -0.000 0.000 0.328 347 Y C 0.369 176.269 175.900 0.000 0.000 0.995 347 Y CA -0.554 57.515 58.100 -0.051 0.000 1.304 347 Y CB 1.761 40.163 38.460 -0.096 0.000 1.096 347 Y HN 0.050 nan 8.280 nan 0.000 0.499 348 T N 5.316 119.922 114.554 0.087 0.000 3.145 348 T HA 0.289 4.639 4.350 0.000 0.000 0.348 348 T C 0.282 175.098 174.700 0.193 0.000 1.299 348 T CA -0.615 61.556 62.100 0.119 0.000 1.037 348 T CB -0.261 68.641 68.868 0.057 0.000 1.122 348 T HN 0.288 nan 8.240 nan 0.000 0.600 349 M N 2.758 122.542 119.600 0.306 0.000 2.243 349 M HA 0.312 4.792 4.480 0.000 0.000 0.341 349 M C 0.248 176.874 176.300 0.544 0.000 1.130 349 M CA 0.096 55.684 55.300 0.479 0.000 1.162 349 M CB 0.212 33.231 32.600 0.699 0.000 1.497 349 M HN 0.533 nan 8.290 nan 0.000 0.456 350 Q N 2.424 122.598 119.800 0.623 0.000 2.280 350 Q HA 0.371 4.711 4.340 0.000 0.000 0.259 350 Q C -1.872 174.537 176.000 0.683 0.000 0.964 350 Q CA -0.586 55.560 55.803 0.572 0.000 0.844 350 Q CB 2.131 31.089 28.738 0.367 0.000 1.334 350 Q HN 0.630 nan 8.270 nan 0.000 0.423 351 Y N 1.999 122.534 120.300 0.391 0.000 2.403 351 Y HA 0.698 5.248 4.550 -0.000 0.000 0.323 351 Y C -1.518 174.326 175.900 -0.094 0.000 1.226 351 Y CA -1.284 56.747 58.100 -0.114 0.000 1.235 351 Y CB 0.850 38.959 38.460 -0.584 0.000 1.248 351 Y HN 0.524 nan 8.280 nan 0.000 0.489 352 F N 3.558 123.053 119.950 -0.758 0.000 2.405 352 F HA 0.305 4.832 4.527 0.000 0.000 0.355 352 F C -0.486 174.948 175.800 -0.610 0.000 1.121 352 F CA -0.922 56.326 58.000 -1.253 0.000 1.112 352 F CB 0.613 38.460 39.000 -1.921 0.000 1.126 352 F HN 0.695 nan 8.300 nan 0.000 0.481 353 D N 4.803 124.378 120.400 -1.376 0.000 2.339 353 D HA 0.125 4.765 4.640 0.000 0.000 0.241 353 D C 0.977 176.644 176.300 -1.054 0.000 1.183 353 D CA 0.094 53.617 54.000 -0.794 0.000 0.859 353 D CB 1.560 42.069 40.800 -0.484 0.000 1.067 353 D HN 0.707 nan 8.370 nan 0.000 0.484 354 T N 1.990 116.228 114.554 -0.527 0.000 2.684 354 T HA -0.208 4.142 4.350 0.000 0.000 0.267 354 T C 1.908 176.499 174.700 -0.182 0.000 1.036 354 T CA 2.419 64.387 62.100 -0.219 0.000 1.148 354 T CB -0.313 68.540 68.868 -0.024 0.000 0.863 354 T HN 0.701 nan 8.240 nan 0.000 0.436 355 T N 1.300 115.757 114.554 -0.162 0.000 2.622 355 T HA -0.178 4.172 4.350 0.000 0.000 0.266 355 T C 2.219 176.842 174.700 -0.128 0.000 1.047 355 T CA 2.174 64.211 62.100 -0.106 0.000 1.159 355 T CB -1.234 67.588 68.868 -0.077 0.000 0.863 355 T HN 0.537 nan 8.240 nan 0.000 0.422 356 T N -0.649 113.791 114.554 -0.190 0.000 3.088 356 T HA 0.090 4.440 4.350 0.000 0.000 0.259 356 T C 0.900 175.481 174.700 -0.198 0.000 1.122 356 T CA 0.512 62.511 62.100 -0.168 0.000 1.095 356 T CB -0.759 68.013 68.868 -0.161 0.000 0.930 356 T HN 0.573 nan 8.240 nan 0.000 0.508 357 N N 1.870 120.367 118.700 -0.339 0.000 2.740 357 N HA -0.127 4.613 4.740 0.000 0.000 0.248 357 N C -0.949 174.464 175.510 -0.162 0.000 1.062 357 N CA 0.974 53.896 53.050 -0.214 0.000 0.704 357 N CB -1.065 37.454 38.487 0.052 0.000 0.968 357 N HN 0.757 nan 8.380 nan 0.000 0.547 358 E N -1.039 118.848 120.200 -0.522 0.000 2.390 358 E HA 0.347 4.697 4.350 0.000 0.000 0.277 358 E C -0.856 175.484 176.600 -0.434 0.000 0.939 358 E CA -0.690 55.575 56.400 -0.226 0.000 0.769 358 E CB 1.026 30.657 29.700 -0.115 0.000 1.251 358 E HN 0.091 nan 8.360 nan 0.000 0.450 359 W N 1.663 122.925 121.300 -0.063 0.000 2.316 359 W HA 0.344 5.004 4.660 -0.000 0.000 0.321 359 W C 0.252 176.625 176.519 -0.243 0.000 1.203 359 W CA -0.133 57.139 57.345 -0.121 0.000 1.214 359 W CB 0.674 30.164 29.460 0.050 0.000 1.169 359 W HN 0.255 nan 8.180 nan 0.000 0.561 360 N N 0.949 119.507 118.700 -0.237 0.000 2.262 360 N HA 0.372 5.112 4.740 0.000 0.000 0.295 360 N C -0.209 175.331 175.510 0.051 0.000 1.161 360 N CA -0.769 52.172 53.050 -0.181 0.000 0.767 360 N CB 1.717 39.978 38.487 -0.377 0.000 1.499 360 N HN 0.538 nan 8.380 nan 0.000 0.476 361 G N -0.143 108.752 108.800 0.158 0.000 2.414 361 G HA2 0.139 4.099 3.960 0.000 0.000 0.236 361 G HA3 0.139 4.099 3.960 0.000 0.000 0.236 361 G C -0.021 175.138 174.900 0.432 0.000 1.293 361 G CA 0.127 45.379 45.100 0.253 0.000 0.869 361 G HN 0.513 nan 8.290 nan 0.000 0.556 362 F N 1.900 122.057 119.950 0.345 0.000 2.532 362 F HA 0.645 5.172 4.527 0.000 0.000 0.276 362 F C 0.919 176.867 175.800 0.246 0.000 0.911 362 F CA 0.879 59.120 58.000 0.402 0.000 1.196 362 F CB 0.295 39.659 39.000 0.608 0.000 1.087 362 F HN 0.739 nan 8.300 nan 0.000 0.775 363 A N 0.098 122.990 122.820 0.121 0.000 2.599 363 A HA 0.609 4.929 4.320 0.000 0.000 0.290 363 A C -1.663 175.991 177.584 0.116 0.000 1.101 363 A CA -0.807 51.204 52.037 -0.042 0.000 0.674 363 A CB 0.845 19.742 19.000 -0.172 0.000 1.277 363 A HN 0.262 nan 8.150 nan 0.000 0.419 364 N N -0.324 118.408 118.700 0.054 0.000 2.469 364 N HA 0.590 5.330 4.740 0.000 0.000 0.286 364 N C -3.108 172.431 175.510 0.048 0.000 1.275 364 N CA -1.569 51.522 53.050 0.068 0.000 0.790 364 N CB 1.340 39.851 38.487 0.040 0.000 1.446 364 N HN 0.236 nan 8.380 nan 0.000 0.501 365 P HA 0.012 nan 4.420 nan 0.000 0.263 365 P C -0.169 177.131 177.300 0.000 0.000 1.175 365 P CA 0.955 64.075 63.100 0.033 0.000 0.761 365 P CB 0.330 32.053 31.700 0.037 0.000 0.794 366 D N -0.858 119.528 120.400 -0.024 0.000 2.439 366 D HA -0.139 4.501 4.640 0.000 0.000 0.172 366 D C 0.010 176.283 176.300 -0.045 0.000 1.026 366 D CA 1.101 55.079 54.000 -0.038 0.000 1.043 366 D CB -1.173 39.612 40.800 -0.024 0.000 1.098 366 D HN 0.424 nan 8.370 nan 0.000 0.467 367 D N 0.453 120.829 120.400 -0.040 0.000 2.378 367 D HA 0.238 4.878 4.640 0.000 0.000 0.238 367 D C 0.325 176.587 176.300 -0.063 0.000 1.180 367 D CA 0.306 54.273 54.000 -0.055 0.000 0.895 367 D CB 1.160 41.921 40.800 -0.065 0.000 1.192 367 D HN -0.127 nan 8.370 nan 0.000 0.438 368 V N 2.112 121.981 119.914 -0.075 0.000 2.448 368 V HA 0.347 4.467 4.120 0.000 0.000 0.295 368 V C 0.229 176.265 176.094 -0.097 0.000 1.025 368 V CA -0.650 61.611 62.300 -0.064 0.000 0.859 368 V CB 1.950 33.740 31.823 -0.055 0.000 0.988 368 V HN 0.229 nan 8.190 nan 0.000 0.431 369 V N 3.625 123.501 119.914 -0.064 0.000 2.864 369 V HA 0.821 4.941 4.120 0.000 0.000 0.314 369 V C 0.008 175.943 176.094 -0.265 0.000 1.073 369 V CA -0.491 61.688 62.300 -0.201 0.000 0.956 369 V CB 2.573 34.293 31.823 -0.172 0.000 1.023 369 V HN 1.006 nan 8.190 nan 0.000 0.435 370 T N -0.206 114.054 114.554 -0.490 0.000 2.912 370 T HA 0.774 5.124 4.350 0.000 0.000 0.299 370 T C -1.242 173.046 174.700 -0.687 0.000 1.052 370 T CA -0.461 61.389 62.100 -0.417 0.000 0.996 370 T CB 1.450 70.199 68.868 -0.198 0.000 1.070 370 T HN 0.185 nan 8.240 nan 0.000 0.465 371 F N 0.917 120.719 119.950 -0.248 0.000 2.467 371 F HA 0.776 5.303 4.527 0.000 0.000 0.336 371 F C 0.777 176.423 175.800 -0.257 0.000 1.123 371 F CA -0.572 57.257 58.000 -0.285 0.000 0.964 371 F CB 2.279 41.069 39.000 -0.350 0.000 1.136 371 F HN 1.091 nan 8.300 nan 0.000 0.447 372 G N 1.874 110.704 108.800 0.050 0.000 2.612 372 G HA2 0.564 4.524 3.960 0.000 0.000 0.298 372 G HA3 0.564 4.524 3.960 0.000 0.000 0.298 372 G C -2.240 172.813 174.900 0.256 0.000 1.336 372 G CA -0.690 44.512 45.100 0.170 0.000 0.953 372 G HN 0.543 nan 8.290 nan 0.000 0.482 373 Q N -0.356 119.668 119.800 0.372 0.000 2.345 373 Q HA 0.689 5.029 4.340 0.000 0.000 0.268 373 Q C -1.213 174.873 176.000 0.143 0.000 1.054 373 Q CA -0.553 55.424 55.803 0.290 0.000 0.835 373 Q CB 2.139 31.110 28.738 0.390 0.000 1.339 373 Q HN 0.431 nan 8.270 nan 0.000 0.447 374 T N 1.779 116.395 114.554 0.104 0.000 2.879 374 T HA 0.655 5.005 4.350 0.000 0.000 0.290 374 T C -0.367 174.354 174.700 0.036 0.000 0.993 374 T CA 0.235 62.367 62.100 0.053 0.000 0.975 374 T CB 1.307 70.201 68.868 0.044 0.000 0.981 374 T HN 1.034 nan 8.240 nan 0.000 0.439 375 G N 1.634 110.435 108.800 0.002 0.000 2.752 375 G HA2 0.242 4.202 3.960 0.000 0.000 0.234 375 G HA3 0.242 4.202 3.960 0.000 0.000 0.234 375 G C 0.698 175.582 174.900 -0.027 0.000 1.367 375 G CA 0.392 45.479 45.100 -0.022 0.000 0.879 375 G HN 1.959 nan 8.290 nan 0.000 0.563 376 G N -2.175 106.594 108.800 -0.053 0.000 2.352 376 G HA2 0.350 4.310 3.960 0.000 0.000 0.204 376 G HA3 0.350 4.310 3.960 0.000 0.000 0.204 376 G C 1.179 175.992 174.900 -0.145 0.000 1.004 376 G CA 1.153 46.221 45.100 -0.054 0.000 0.648 376 G HN 2.644 nan 8.290 nan 0.000 0.491 377 A N 0.491 123.142 122.820 -0.282 0.000 2.555 377 A HA 0.629 4.949 4.320 0.000 0.000 0.233 377 A C 1.782 179.159 177.584 -0.346 0.000 1.060 377 A CA 1.903 53.582 52.037 -0.598 0.000 0.759 377 A CB -0.298 18.105 19.000 -0.995 0.000 0.995 377 A HN 2.518 nan 8.150 nan 0.000 0.506 378 A N 1.183 123.848 122.820 -0.258 0.000 2.687 378 A HA 0.239 4.559 4.320 0.000 0.000 0.299 378 A C 1.947 179.531 177.584 0.001 0.000 1.497 378 A CA 1.464 53.512 52.037 0.018 0.000 0.751 378 A CB -1.833 17.224 19.000 0.095 0.000 1.048 378 A HN 3.133 nan 8.150 nan 0.000 0.464 379 G N -1.447 107.346 108.800 -0.012 0.000 2.203 379 G HA2 -0.043 3.917 3.960 0.000 0.000 0.263 379 G HA3 -0.043 3.917 3.960 0.000 0.000 0.263 379 G C 0.878 175.776 174.900 -0.002 0.000 1.012 379 G CA 1.590 46.691 45.100 0.001 0.000 0.749 379 G HN 2.761 nan 8.290 nan 0.000 0.512 380 T N -1.891 112.650 114.554 -0.020 0.000 2.881 380 T HA 0.560 4.910 4.350 0.000 0.000 0.278 380 T C 0.502 175.204 174.700 0.003 0.000 0.982 380 T CA -0.689 61.405 62.100 -0.010 0.000 0.989 380 T CB 1.317 70.171 68.868 -0.023 0.000 1.058 380 T HN 0.158 nan 8.240 nan 0.000 0.529 381 N N 0.783 119.492 118.700 0.015 0.000 2.441 381 N HA 0.408 5.148 4.740 0.000 0.000 0.251 381 N C -0.412 175.119 175.510 0.036 0.000 1.242 381 N CA 0.026 53.095 53.050 0.032 0.000 0.898 381 N CB 0.703 39.210 38.487 0.034 0.000 1.100 381 N HN 0.943 nan 8.380 nan 0.000 0.443 382 A N 1.083 123.939 122.820 0.060 0.000 2.342 382 A HA 0.582 4.902 4.320 0.000 0.000 0.323 382 A C -0.384 177.258 177.584 0.098 0.000 1.125 382 A CA -0.563 51.522 52.037 0.080 0.000 0.785 382 A CB 1.005 20.069 19.000 0.106 0.000 1.221 382 A HN 0.477 nan 8.150 nan 0.000 0.463 383 T N 3.673 118.287 114.554 0.099 0.000 2.815 383 T HA 0.417 4.767 4.350 0.000 0.000 0.289 383 T C -0.335 174.443 174.700 0.130 0.000 1.000 383 T CA -0.208 61.952 62.100 0.100 0.000 0.958 383 T CB 0.306 69.213 68.868 0.064 0.000 0.944 383 T HN 0.431 nan 8.240 nan 0.000 0.442 384 I N 4.854 125.518 120.570 0.156 0.000 2.325 384 I HA 0.284 4.454 4.170 0.000 0.000 0.291 384 I C 0.980 177.155 176.117 0.097 0.000 1.019 384 I CA -0.540 60.872 61.300 0.187 0.000 1.302 384 I CB 0.553 38.718 38.000 0.275 0.000 1.401 384 I HN 0.638 nan 8.210 nan 0.000 0.485 385 T N 5.241 119.826 114.554 0.052 0.000 2.779 385 T HA 0.741 5.091 4.350 0.000 0.000 0.280 385 T C -0.290 174.331 174.700 -0.131 0.000 0.987 385 T CA -0.641 61.439 62.100 -0.034 0.000 0.966 385 T CB 1.400 70.250 68.868 -0.031 0.000 0.933 385 T HN 0.288 nan 8.240 nan 0.000 0.442 386 I N 3.727 124.165 120.570 -0.221 0.000 2.359 386 I HA 0.486 4.656 4.170 0.000 0.000 0.294 386 I C 0.346 176.288 176.117 -0.292 0.000 0.987 386 I CA -0.757 60.289 61.300 -0.423 0.000 1.225 386 I CB 1.902 39.594 38.000 -0.514 0.000 1.366 386 I HN 0.862 nan 8.210 nan 0.000 0.466 387 T N 2.640 116.983 114.554 -0.352 0.000 2.879 387 T HA 0.840 5.190 4.350 0.000 0.000 0.290 387 T C -0.592 173.933 174.700 -0.292 0.000 0.993 387 T CA -0.757 61.194 62.100 -0.249 0.000 0.975 387 T CB 1.805 70.555 68.868 -0.198 0.000 0.981 387 T HN 0.676 nan 8.240 nan 0.000 0.439 388 A N 4.037 126.668 122.820 -0.314 0.000 2.384 388 A HA 0.871 5.191 4.320 0.000 0.000 0.312 388 A C -1.794 175.621 177.584 -0.282 0.000 1.113 388 A CA -2.317 49.465 52.037 -0.425 0.000 0.779 388 A CB 0.884 19.332 19.000 -0.920 0.000 1.307 388 A HN 0.561 nan 8.150 nan 0.000 0.436 389 P HA -0.256 nan 4.420 nan 0.000 0.222 389 P C 1.220 178.445 177.300 -0.126 0.000 1.157 389 P CA 3.067 66.076 63.100 -0.150 0.000 0.905 389 P CB 0.160 31.782 31.700 -0.129 0.000 0.792 390 T N -5.917 108.555 114.554 -0.138 0.000 3.044 390 T HA 0.362 4.712 4.350 0.000 0.000 0.260 390 T C 0.163 174.819 174.700 -0.074 0.000 1.019 390 T CA -0.253 61.797 62.100 -0.084 0.000 0.921 390 T CB -0.333 68.508 68.868 -0.045 0.000 1.053 390 T HN -0.152 nan 8.240 nan 0.000 0.533 391 V N -0.084 119.752 119.914 -0.129 0.000 3.049 391 V HA 0.710 4.830 4.120 0.000 0.000 0.309 391 V C -0.839 175.176 176.094 -0.131 0.000 1.148 391 V CA -0.878 61.359 62.300 -0.104 0.000 0.990 391 V CB 1.997 33.779 31.823 -0.068 0.000 1.039 391 V HN 0.201 nan 8.190 nan 0.000 0.430 392 T N 4.039 118.521 114.554 -0.121 0.000 2.949 392 T HA 0.675 5.025 4.350 0.000 0.000 0.300 392 T C -0.696 173.919 174.700 -0.143 0.000 0.988 392 T CA -0.291 61.736 62.100 -0.122 0.000 0.993 392 T CB 0.826 69.634 68.868 -0.100 0.000 0.984 392 T HN 0.499 nan 8.240 nan 0.000 0.442 393 L N 2.959 124.087 121.223 -0.158 0.000 2.322 393 L HA 0.877 5.217 4.340 0.000 0.000 0.269 393 L C 0.416 177.213 176.870 -0.121 0.000 1.012 393 L CA -1.033 53.697 54.840 -0.184 0.000 0.815 393 L CB 1.965 43.866 42.059 -0.264 0.000 1.295 393 L HN 0.680 nan 8.230 nan 0.000 0.438 394 T N -0.818 113.687 114.554 -0.081 0.000 2.952 394 T HA 0.721 5.071 4.350 0.000 0.000 0.305 394 T C -0.804 173.903 174.700 0.012 0.000 1.064 394 T CA -0.576 61.508 62.100 -0.028 0.000 1.008 394 T CB 1.450 70.309 68.868 -0.015 0.000 1.078 394 T HN 0.371 nan 8.240 nan 0.000 0.459 395 I N 3.146 123.752 120.570 0.060 0.000 2.433 395 I HA 0.484 4.654 4.170 0.000 0.000 0.292 395 I C -0.805 175.376 176.117 0.108 0.000 1.001 395 I CA -1.307 60.054 61.300 0.101 0.000 1.119 395 I CB 1.939 40.042 38.000 0.172 0.000 1.289 395 I HN 0.529 nan 8.210 nan 0.000 0.438 396 L N 6.377 127.657 121.223 0.095 0.000 2.312 396 L HA 0.789 5.129 4.340 0.000 0.000 0.281 396 L C -0.254 176.683 176.870 0.111 0.000 1.070 396 L CA -0.005 54.890 54.840 0.091 0.000 0.805 396 L CB 1.249 43.349 42.059 0.069 0.000 1.174 396 L HN 0.726 nan 8.230 nan 0.000 0.434 397 A N 3.244 126.134 122.820 0.117 0.000 2.340 397 A HA 0.653 4.973 4.320 0.000 0.000 0.297 397 A C -0.048 177.603 177.584 0.111 0.000 1.195 397 A CA -0.129 51.987 52.037 0.131 0.000 0.769 397 A CB 0.505 19.599 19.000 0.155 0.000 1.163 397 A HN 0.823 nan 8.150 nan 0.000 0.472 398 T N 0.044 114.663 114.554 0.109 0.000 2.816 398 T HA 0.565 4.915 4.350 0.000 0.000 0.282 398 T C 0.752 175.509 174.700 0.094 0.000 0.993 398 T CA 0.200 62.352 62.100 0.087 0.000 0.994 398 T CB 0.553 69.468 68.868 0.077 0.000 1.025 398 T HN 1.177 nan 8.240 nan 0.000 0.529 399 T N -0.687 113.907 114.554 0.067 0.000 2.906 399 T HA 0.216 4.566 4.350 0.000 0.000 0.320 399 T C 0.436 175.166 174.700 0.051 0.000 1.088 399 T CA -0.116 62.017 62.100 0.054 0.000 1.120 399 T CB -0.848 68.037 68.868 0.029 0.000 1.000 399 T HN 1.042 nan 8.240 nan 0.000 0.550 400 T N 1.136 115.698 114.554 0.013 0.000 3.433 400 T HA -0.093 4.257 4.350 0.000 0.000 0.412 400 T C 0.147 174.880 174.700 0.056 0.000 0.768 400 T CA 0.761 62.776 62.100 -0.142 0.000 2.077 400 T CB -2.434 66.256 68.868 -0.296 0.000 1.700 400 T HN 1.473 nan 8.240 nan 0.000 0.666 401 S N -1.156 114.765 115.700 0.369 0.000 2.541 401 S HA 0.837 5.307 4.470 0.000 0.000 0.280 401 S C 0.366 175.315 174.600 0.581 0.000 1.112 401 S CA -0.499 58.017 58.200 0.527 0.000 0.925 401 S CB 2.577 65.963 63.200 0.309 0.000 1.067 401 S HN 0.731 nan 8.310 nan 0.000 0.479 402 A N 1.057 124.220 122.820 0.571 0.000 2.469 402 A HA 0.772 5.092 4.320 0.000 0.000 0.245 402 A C 0.819 178.480 177.584 0.129 0.000 1.221 402 A CA 0.220 52.412 52.037 0.260 0.000 0.946 402 A CB 0.064 19.056 19.000 -0.013 0.000 1.049 402 A HN 1.583 nan 8.150 nan 0.000 0.529 403 A N 1.310 124.271 122.820 0.234 0.000 2.842 403 A HA 0.583 4.903 4.320 0.000 0.000 0.339 403 A C -0.946 176.742 177.584 0.173 0.000 1.177 403 A CA -0.574 51.553 52.037 0.151 0.000 0.797 403 A CB -0.045 19.062 19.000 0.178 0.000 1.094 403 A HN 0.192 nan 8.150 nan 0.000 0.474 404 N N 1.534 120.322 118.700 0.148 0.000 2.696 404 N HA 0.352 5.092 4.740 0.000 0.000 0.246 404 N C -1.275 174.330 175.510 0.159 0.000 1.057 404 N CA -0.056 53.088 53.050 0.156 0.000 0.867 404 N CB 2.150 40.736 38.487 0.164 0.000 1.141 404 N HN 0.377 nan 8.380 nan 0.000 0.517 405 V N 2.519 122.531 119.914 0.163 0.000 3.046 405 V HA 0.659 4.779 4.120 0.000 0.000 0.316 405 V C -0.998 175.220 176.094 0.208 0.000 1.104 405 V CA -0.701 61.718 62.300 0.198 0.000 1.006 405 V CB 2.661 34.585 31.823 0.170 0.000 1.058 405 V HN 0.393 nan 8.190 nan 0.000 0.440 406 I N 3.561 124.295 120.570 0.274 0.000 2.569 406 I HA 0.419 4.589 4.170 0.000 0.000 0.290 406 I C -0.837 175.413 176.117 0.223 0.000 1.088 406 I CA -0.670 60.733 61.300 0.171 0.000 1.047 406 I CB 2.169 40.243 38.000 0.125 0.000 1.237 406 I HN 0.556 nan 8.210 nan 0.000 0.421 407 N N 4.779 123.522 118.700 0.073 0.000 2.498 407 N HA 0.574 5.314 4.740 0.000 0.000 0.287 407 N C -1.479 174.117 175.510 0.143 0.000 1.097 407 N CA 0.106 53.294 53.050 0.230 0.000 0.973 407 N CB 1.167 39.764 38.487 0.183 0.000 1.153 407 N HN 0.241 nan 8.380 nan 0.000 0.472 408 F N 0.667 121.003 119.950 0.644 0.000 2.603 408 F HA 0.539 5.066 4.527 -0.000 0.000 0.317 408 F C 0.647 176.826 175.800 0.632 0.000 1.066 408 F CA -0.771 57.659 58.000 0.715 0.000 0.941 408 F CB 1.696 41.073 39.000 0.629 0.000 1.291 408 F HN 0.153 nan 8.300 nan 0.000 0.472 409 R N 0.547 121.425 120.500 0.631 0.000 2.888 409 R HA 0.485 4.825 4.340 0.000 0.000 0.266 409 R C -1.451 175.025 176.300 0.294 0.000 1.020 409 R CA -1.250 54.999 56.100 0.248 0.000 0.963 409 R CB 1.955 32.127 30.300 -0.214 0.000 1.197 409 R HN 0.509 nan 8.270 nan 0.000 0.481 410 N N 1.575 120.395 118.700 0.200 0.000 2.448 410 N HA 0.200 4.940 4.740 0.000 0.000 0.279 410 N C 0.129 175.638 175.510 -0.003 0.000 1.025 410 N CA -0.299 52.814 53.050 0.104 0.000 0.898 410 N CB 1.331 39.852 38.487 0.056 0.000 1.303 410 N HN 0.575 nan 8.380 nan 0.000 0.495 411 L N 0.520 121.736 121.223 -0.011 0.000 2.313 411 L HA 0.121 4.461 4.340 0.000 0.000 0.214 411 L C 0.582 177.391 176.870 -0.101 0.000 1.119 411 L CA 0.592 55.400 54.840 -0.053 0.000 0.809 411 L CB -0.116 41.931 42.059 -0.019 0.000 0.933 411 L HN 0.459 nan 8.230 nan 0.000 0.449 412 D N 0.630 120.951 120.400 -0.131 0.000 2.339 412 D HA 0.295 4.935 4.640 0.000 0.000 0.245 412 D C -0.036 176.103 176.300 -0.268 0.000 1.115 412 D CA 0.089 53.978 54.000 -0.185 0.000 0.917 412 D CB 1.606 42.275 40.800 -0.218 0.000 1.192 412 D HN 0.025 nan 8.370 nan 0.000 0.428 413 A N 2.279 124.943 122.820 -0.260 0.000 2.366 413 A HA 0.423 4.743 4.320 0.000 0.000 0.272 413 A C 0.219 177.593 177.584 -0.349 0.000 1.135 413 A CA -0.309 51.529 52.037 -0.333 0.000 0.804 413 A CB 0.427 19.284 19.000 -0.238 0.000 1.064 413 A HN 0.586 nan 8.150 nan 0.000 0.499 414 E N 0.608 120.528 120.200 -0.467 0.000 2.410 414 E HA 0.748 5.098 4.350 0.000 0.000 0.269 414 E C -0.902 175.603 176.600 -0.158 0.000 0.937 414 E CA -0.797 55.431 56.400 -0.287 0.000 0.793 414 E CB 1.723 31.292 29.700 -0.219 0.000 1.314 414 E HN 0.536 nan 8.360 nan 0.000 0.447 415 T N -1.571 112.993 114.554 0.016 0.000 2.876 415 T HA 0.638 4.988 4.350 0.000 0.000 0.289 415 T C -0.521 174.285 174.700 0.176 0.000 1.014 415 T CA -0.653 61.513 62.100 0.110 0.000 0.986 415 T CB 1.852 70.750 68.868 0.050 0.000 1.021 415 T HN 0.505 nan 8.240 nan 0.000 0.458 416 T N 0.368 115.047 114.554 0.209 0.000 2.821 416 T HA 0.686 5.036 4.350 0.000 0.000 0.306 416 T C -0.766 174.022 174.700 0.147 0.000 1.313 416 T CA -0.252 61.967 62.100 0.198 0.000 1.012 416 T CB 1.300 70.341 68.868 0.288 0.000 1.298 416 T HN 1.206 nan 8.240 nan 0.000 0.502 417 A N 1.823 124.734 122.820 0.152 0.000 2.425 417 A HA 0.705 5.025 4.320 0.000 0.000 0.249 417 A C 0.814 178.452 177.584 0.090 0.000 1.084 417 A CA 0.121 52.210 52.037 0.088 0.000 0.781 417 A CB -0.310 18.717 19.000 0.044 0.000 1.019 417 A HN 1.285 nan 8.150 nan 0.000 0.490 418 A N 1.623 124.430 122.820 -0.022 0.000 2.425 418 A HA 0.539 4.859 4.320 0.000 0.000 0.242 418 A C 0.580 178.088 177.584 -0.126 0.000 1.077 418 A CA 0.586 52.568 52.037 -0.091 0.000 0.781 418 A CB 0.183 19.137 19.000 -0.076 0.000 1.020 418 A HN 1.593 nan 8.150 nan 0.000 0.494 419 S N 1.196 116.755 115.700 -0.234 0.000 2.548 419 S HA 0.510 4.980 4.470 0.000 0.000 0.276 419 S C -0.857 173.633 174.600 -0.184 0.000 1.129 419 S CA -0.934 57.124 58.200 -0.238 0.000 0.931 419 S CB 0.647 63.496 63.200 -0.586 0.000 1.068 419 S HN 0.758 nan 8.310 nan 0.000 0.480 420 N N 2.295 120.943 118.700 -0.086 0.000 2.476 420 N HA 0.476 5.216 4.740 0.000 0.000 0.276 420 N C -0.659 174.783 175.510 -0.113 0.000 1.204 420 N CA -0.523 52.478 53.050 -0.083 0.000 0.974 420 N CB 1.040 39.510 38.487 -0.028 0.000 1.204 420 N HN 0.632 nan 8.380 nan 0.000 0.543 421 R N 0.221 120.653 120.500 -0.115 0.000 2.468 421 R HA 0.280 4.620 4.340 0.000 0.000 0.302 421 R C -1.194 175.027 176.300 -0.132 0.000 1.041 421 R CA -0.353 55.664 56.100 -0.139 0.000 0.899 421 R CB 0.449 30.667 30.300 -0.137 0.000 1.167 421 R HN 0.458 nan 8.270 nan 0.000 0.483 422 S N 3.601 119.207 115.700 -0.157 0.000 2.400 422 S HA 0.121 4.591 4.470 0.000 0.000 0.295 422 S C -0.533 173.948 174.600 -0.199 0.000 1.113 422 S CA -0.396 57.716 58.200 -0.147 0.000 1.064 422 S CB 0.733 63.847 63.200 -0.143 0.000 0.990 422 S HN 0.505 nan 8.310 nan 0.000 0.502 423 E N 2.543 122.659 120.200 -0.139 0.000 2.089 423 E HA 0.326 4.676 4.350 0.000 0.000 0.284 423 E C -0.711 175.840 176.600 -0.082 0.000 1.023 423 E CA -0.499 55.819 56.400 -0.137 0.000 0.819 423 E CB 0.926 30.585 29.700 -0.068 0.000 1.076 423 E HN 0.305 nan 8.360 nan 0.000 0.396 424 V N 3.890 123.739 119.914 -0.108 0.000 2.555 424 V HA 0.395 4.515 4.120 0.000 0.000 0.302 424 V C -2.025 174.168 176.094 0.165 0.000 1.038 424 V CA -2.376 59.952 62.300 0.045 0.000 0.887 424 V CB 1.463 33.335 31.823 0.081 0.000 0.991 424 V HN 0.573 nan 8.190 nan 0.000 0.434 425 P HA 0.335 nan 4.420 nan 0.000 0.274 425 P C -0.681 176.770 177.300 0.251 0.000 1.237 425 P CA -0.338 62.866 63.100 0.174 0.000 0.793 425 P CB 1.256 33.023 31.700 0.111 0.000 0.977 426 L N 2.142 123.458 121.223 0.155 0.000 2.439 426 L HA 0.430 4.770 4.340 0.000 0.000 0.259 426 L C -1.574 175.279 176.870 -0.028 0.000 1.129 426 L CA -1.914 52.989 54.840 0.105 0.000 0.803 426 L CB 0.571 42.612 42.059 -0.030 0.000 1.161 426 L HN 0.315 nan 8.230 nan 0.000 0.462 427 P HA 0.287 nan 4.420 nan 0.000 0.281 427 P C -2.730 174.406 177.300 -0.273 0.000 1.264 427 P CA -1.977 60.911 63.100 -0.355 0.000 0.824 427 P CB 0.247 31.720 31.700 -0.379 0.000 1.092 428 P HA 0.052 nan 4.420 nan 0.000 0.262 428 P C 0.221 177.530 177.300 0.015 0.000 1.182 428 P CA 0.484 63.494 63.100 -0.149 0.000 0.761 428 P CB 0.541 32.158 31.700 -0.138 0.000 0.795 429 L N 2.278 123.479 121.223 -0.036 0.000 2.818 429 L HA 0.191 4.531 4.340 0.000 0.000 0.243 429 L C 0.827 177.489 176.870 -0.347 0.000 1.185 429 L CA 0.092 54.874 54.840 -0.096 0.000 0.988 429 L CB -0.117 41.905 42.059 -0.062 0.000 1.292 429 L HN 0.487 nan 8.230 nan 0.000 0.519 430 T N -6.429 107.978 114.554 -0.245 0.000 2.894 430 T HA 0.372 4.722 4.350 0.000 0.000 0.309 430 T C 0.460 175.177 174.700 0.028 0.000 1.208 430 T CA -0.604 61.425 62.100 -0.118 0.000 1.016 430 T CB 1.353 70.222 68.868 0.001 0.000 1.192 430 T HN -0.188 nan 8.240 nan 0.000 0.491 431 F N 1.868 121.777 119.950 -0.068 0.000 2.091 431 F HA 0.082 4.609 4.527 0.000 0.000 0.299 431 F C 2.760 178.574 175.800 0.022 0.000 1.103 431 F CA 2.376 60.391 58.000 0.025 0.000 1.228 431 F CB -0.932 38.110 39.000 0.069 0.000 0.984 431 F HN 0.864 nan 8.300 nan 0.000 0.477 432 G N -1.515 107.408 108.800 0.206 0.000 2.479 432 G HA2 -0.200 3.760 3.960 0.000 0.000 0.220 432 G HA3 -0.200 3.760 3.960 0.000 0.000 0.220 432 G C 1.570 176.511 174.900 0.068 0.000 1.115 432 G CA 0.601 45.768 45.100 0.113 0.000 0.757 432 G HN 0.262 nan 8.290 nan 0.000 0.560 433 Q N -0.549 119.283 119.800 0.052 0.000 2.378 433 Q HA 0.085 4.425 4.340 0.000 0.000 0.216 433 Q C 2.525 178.546 176.000 0.034 0.000 0.892 433 Q CA 0.536 56.356 55.803 0.029 0.000 0.931 433 Q CB 0.233 28.973 28.738 0.003 0.000 1.086 433 Q HN 0.407 nan 8.270 nan 0.000 0.528 434 T N 0.933 115.510 114.554 0.040 0.000 2.706 434 T HA -0.008 4.342 4.350 0.000 0.000 0.255 434 T C 1.836 176.575 174.700 0.064 0.000 1.048 434 T CA 1.353 63.492 62.100 0.066 0.000 1.153 434 T CB -0.204 68.674 68.868 0.017 0.000 0.865 434 T HN 0.318 nan 8.240 nan 0.000 0.414 435 A N 2.213 125.040 122.820 0.012 0.000 1.892 435 A HA -0.056 4.264 4.320 0.000 0.000 0.218 435 A C 0.188 177.780 177.584 0.013 0.000 1.188 435 A CA 1.524 53.559 52.037 -0.003 0.000 0.631 435 A CB -1.746 17.253 19.000 -0.001 0.000 0.822 435 A HN 0.399 nan 8.150 nan 0.000 0.447 436 P HA -0.054 nan 4.420 nan 0.000 0.220 436 P C 0.474 177.795 177.300 0.034 0.000 1.148 436 P CA 0.991 64.107 63.100 0.026 0.000 0.803 436 P CB 0.011 31.729 31.700 0.029 0.000 0.782 437 N N -1.714 117.023 118.700 0.061 0.000 2.203 437 N HA 0.050 4.790 4.740 0.000 0.000 0.207 437 N C -0.109 175.452 175.510 0.086 0.000 1.130 437 N CA 0.225 53.324 53.050 0.082 0.000 0.861 437 N CB 0.056 38.611 38.487 0.113 0.000 1.005 437 N HN 0.086 nan 8.380 nan 0.000 0.507 438 N N 0.993 119.716 118.700 0.037 0.000 2.549 438 N HA 0.271 5.011 4.740 0.000 0.000 0.281 438 N C -2.272 173.197 175.510 -0.068 0.000 1.084 438 N CA -1.354 51.663 53.050 -0.055 0.000 0.862 438 N CB 2.360 40.761 38.487 -0.142 0.000 1.333 438 N HN -0.210 nan 8.380 nan 0.000 0.523 439 P HA 0.026 nan 4.420 nan 0.000 0.223 439 P C -0.134 177.119 177.300 -0.078 0.000 1.151 439 P CA 1.154 64.218 63.100 -0.060 0.000 0.787 439 P CB 0.372 32.043 31.700 -0.048 0.000 0.788 440 K N -0.009 120.328 120.400 -0.106 0.000 2.981 440 K HA 0.212 4.532 4.320 0.000 0.000 0.213 440 K C 0.240 176.755 176.600 -0.141 0.000 1.154 440 K CA -0.455 55.762 56.287 -0.117 0.000 1.111 440 K CB -0.145 32.283 32.500 -0.119 0.000 0.975 440 K HN 0.184 nan 8.250 nan 0.000 0.462 441 I N -2.714 117.775 120.570 -0.135 0.000 2.934 441 I HA 0.364 4.534 4.170 0.000 0.000 0.315 441 I C -0.175 175.850 176.117 -0.154 0.000 0.997 441 I CA -0.375 60.835 61.300 -0.150 0.000 1.184 441 I CB 0.768 38.684 38.000 -0.139 0.000 1.400 441 I HN -0.054 nan 8.210 nan 0.000 0.549 442 E N 1.054 121.144 120.200 -0.184 0.000 2.340 442 E HA 0.454 4.804 4.350 0.000 0.000 0.273 442 E C -1.501 174.812 176.600 -0.479 0.000 0.891 442 E CA -0.885 55.376 56.400 -0.232 0.000 0.757 442 E CB 1.897 31.530 29.700 -0.111 0.000 1.231 442 E HN 0.574 nan 8.360 nan 0.000 0.439 443 Q N 2.216 121.684 119.800 -0.553 0.000 2.313 443 Q HA 0.335 4.675 4.340 0.000 0.000 0.255 443 Q C -1.658 173.980 176.000 -0.603 0.000 0.944 443 Q CA -0.265 55.092 55.803 -0.742 0.000 0.881 443 Q CB 1.884 30.394 28.738 -0.379 0.000 1.375 443 Q HN 0.834 nan 8.270 nan 0.000 0.422 444 T N -0.023 114.037 114.554 -0.823 0.000 2.637 444 T HA 0.571 4.921 4.350 0.000 0.000 0.303 444 T C -0.087 174.510 174.700 -0.172 0.000 1.288 444 T CA -0.813 61.081 62.100 -0.343 0.000 1.040 444 T CB 0.436 69.228 68.868 -0.127 0.000 1.644 444 T HN 0.433 nan 8.240 nan 0.000 0.480 445 L N 1.239 122.513 121.223 0.085 0.000 2.436 445 L HA 0.349 4.689 4.340 0.000 0.000 0.265 445 L C 1.757 178.888 176.870 0.435 0.000 1.168 445 L CA -0.869 54.122 54.840 0.252 0.000 0.815 445 L CB 0.640 42.805 42.059 0.177 0.000 1.109 445 L HN 0.527 nan 8.230 nan 0.000 0.462 446 V N 1.522 121.710 119.914 0.455 0.000 2.548 446 V HA -0.208 3.912 4.120 0.000 0.000 0.249 446 V C 2.183 178.435 176.094 0.263 0.000 1.055 446 V CA 1.939 64.495 62.300 0.426 0.000 1.065 446 V CB -0.724 31.299 31.823 0.334 0.000 0.681 446 V HN 0.920 nan 8.190 nan 0.000 0.462 447 K N 0.245 120.771 120.400 0.209 0.000 2.432 447 K HA -0.104 4.216 4.320 0.000 0.000 0.196 447 K C 1.532 178.219 176.600 0.145 0.000 1.038 447 K CA 1.375 57.750 56.287 0.146 0.000 0.986 447 K CB -0.126 32.443 32.500 0.115 0.000 0.782 447 K HN 0.412 nan 8.250 nan 0.000 0.485 448 D N 2.108 122.620 120.400 0.186 0.000 2.106 448 D HA -0.123 4.517 4.640 0.000 0.000 0.203 448 D C 1.506 177.913 176.300 0.179 0.000 0.977 448 D CA 2.057 56.157 54.000 0.167 0.000 0.844 448 D CB -0.046 40.858 40.800 0.174 0.000 1.002 448 D HN 0.307 nan 8.370 nan 0.000 0.461 449 T N -1.942 112.764 114.554 0.253 0.000 3.129 449 T HA 0.262 4.612 4.350 0.000 0.000 0.267 449 T C 1.137 175.912 174.700 0.126 0.000 1.018 449 T CA -0.271 61.955 62.100 0.210 0.000 0.903 449 T CB -0.514 68.544 68.868 0.315 0.000 1.067 449 T HN 0.286 nan 8.240 nan 0.000 0.549 450 L N 0.574 121.871 121.223 0.123 0.000 3.858 450 L HA -0.213 4.127 4.340 0.000 0.000 0.425 450 L C 1.076 177.941 176.870 -0.007 0.000 1.177 450 L CA 0.560 55.436 54.840 0.061 0.000 0.943 450 L CB -2.433 39.648 42.059 0.036 0.000 1.861 450 L HN 0.922 nan 8.230 nan 0.000 0.985 451 G N -1.174 107.589 108.800 -0.062 0.000 2.306 451 G HA2 0.225 4.185 3.960 0.000 0.000 0.262 451 G HA3 0.225 4.185 3.960 0.000 0.000 0.262 451 G C -0.620 173.872 174.900 -0.680 0.000 1.263 451 G CA 0.072 45.016 45.100 -0.259 0.000 1.088 451 G HN 0.953 nan 8.290 nan 0.000 0.489 452 S N -1.470 113.864 115.700 -0.611 0.000 2.661 452 S HA 0.785 5.255 4.470 0.000 0.000 0.285 452 S C -1.544 172.968 174.600 -0.147 0.000 1.138 452 S CA -0.549 57.221 58.200 -0.717 0.000 0.855 452 S CB 2.599 65.088 63.200 -1.185 0.000 1.136 452 S HN 2.118 nan 8.310 nan 0.000 0.484 453 Y N 0.991 121.180 120.300 -0.184 0.000 2.322 453 Y HA 0.635 5.185 4.550 -0.000 0.000 0.324 453 Y C -1.997 173.898 175.900 -0.008 0.000 1.027 453 Y CA -1.607 56.479 58.100 -0.024 0.000 1.179 453 Y CB 0.767 39.277 38.460 0.084 0.000 1.136 453 Y HN 0.807 nan 8.280 nan 0.000 0.449 454 L N 6.805 127.962 121.223 -0.110 0.000 2.313 454 L HA 0.750 5.090 4.340 0.000 0.000 0.283 454 L C -0.870 175.856 176.870 -0.240 0.000 1.013 454 L CA -1.142 53.556 54.840 -0.237 0.000 0.816 454 L CB 1.819 43.718 42.059 -0.265 0.000 1.236 454 L HN 0.350 nan 8.230 nan 0.000 0.419 455 V N 2.040 121.831 119.914 -0.206 0.000 2.380 455 V HA 0.291 4.410 4.120 0.000 0.000 0.286 455 V C -0.190 175.833 176.094 -0.117 0.000 1.015 455 V CA -0.756 61.445 62.300 -0.164 0.000 0.834 455 V CB 0.914 32.570 31.823 -0.278 0.000 1.009 455 V HN 0.645 nan 8.190 nan 0.000 0.428 456 H N 2.005 121.124 119.070 0.082 0.000 2.822 456 H HA 0.563 5.119 4.556 -0.000 0.000 0.373 456 H C 0.718 175.966 175.328 -0.135 0.000 1.223 456 H CA 0.907 56.985 56.048 0.049 0.000 1.436 456 H CB 0.787 30.661 29.762 0.186 0.000 1.439 456 H HN 0.824 nan 8.280 nan 0.000 0.618 457 S N -0.101 115.635 115.700 0.060 0.000 2.596 457 S HA 0.279 4.749 4.470 0.000 0.000 0.270 457 S C -0.870 173.870 174.600 0.232 0.000 1.155 457 S CA -1.394 56.855 58.200 0.082 0.000 0.827 457 S CB 1.520 64.662 63.200 -0.096 0.000 1.130 457 S HN 0.645 nan 8.310 nan 0.000 0.467 458 K N 0.899 121.513 120.400 0.355 0.000 2.402 458 K HA 0.235 4.555 4.320 0.000 0.000 0.285 458 K C -0.004 176.624 176.600 0.047 0.000 1.054 458 K CA 0.113 56.473 56.287 0.120 0.000 1.001 458 K CB 0.023 32.425 32.500 -0.162 0.000 0.946 458 K HN 0.791 nan 8.250 nan 0.000 0.473 459 M N 3.448 123.070 119.600 0.037 0.000 2.249 459 M HA 0.082 4.562 4.480 0.000 0.000 0.318 459 M C 1.065 177.374 176.300 0.015 0.000 0.930 459 M CA 0.222 55.537 55.300 0.024 0.000 1.080 459 M CB 0.622 33.248 32.600 0.043 0.000 1.797 459 M HN 0.511 nan 8.290 nan 0.000 0.619 460 R N -0.380 120.126 120.500 0.011 0.000 2.250 460 R HA 0.193 4.533 4.340 0.000 0.000 0.194 460 R C 0.249 176.536 176.300 -0.020 0.000 0.927 460 R CA 0.288 56.394 56.100 0.010 0.000 1.052 460 R CB 0.396 30.716 30.300 0.035 0.000 1.055 460 R HN 0.021 nan 8.270 nan 0.000 0.537 461 N N -0.064 118.601 118.700 -0.058 0.000 2.295 461 N HA 0.243 4.983 4.740 0.000 0.000 0.293 461 N C -2.406 173.022 175.510 -0.138 0.000 1.040 461 N CA -2.394 50.606 53.050 -0.083 0.000 0.840 461 N CB 2.083 40.520 38.487 -0.084 0.000 1.468 461 N HN -0.314 nan 8.380 nan 0.000 0.478 462 P HA -0.082 nan 4.420 nan 0.000 0.226 462 P C -0.291 176.907 177.300 -0.171 0.000 1.146 462 P CA 0.901 63.931 63.100 -0.116 0.000 0.773 462 P CB 0.211 31.874 31.700 -0.062 0.000 0.772 463 V N -5.765 114.034 119.914 -0.192 0.000 3.040 463 V HA 0.483 4.603 4.120 0.000 0.000 0.312 463 V C -0.644 175.304 176.094 -0.244 0.000 1.115 463 V CA -1.463 60.727 62.300 -0.183 0.000 0.998 463 V CB 1.562 33.348 31.823 -0.062 0.000 1.042 463 V HN -0.285 nan 8.190 nan 0.000 0.433 464 F N 2.602 122.520 119.950 -0.053 0.000 2.566 464 F HA 0.426 4.953 4.527 0.000 0.000 0.349 464 F C 0.810 176.561 175.800 -0.082 0.000 1.245 464 F CA 0.217 58.182 58.000 -0.060 0.000 1.169 464 F CB 0.384 39.331 39.000 -0.089 0.000 1.470 464 F HN 0.745 nan 8.300 nan 0.000 0.634 465 Q N 3.244 123.062 119.800 0.030 0.000 2.260 465 Q HA 0.494 4.834 4.340 0.000 0.000 0.242 465 Q C -0.808 175.152 176.000 -0.067 0.000 0.932 465 Q CA -0.706 55.083 55.803 -0.023 0.000 0.891 465 Q CB 1.104 29.814 28.738 -0.046 0.000 1.222 465 Q HN 0.586 nan 8.270 nan 0.000 0.453 466 L N 2.377 123.541 121.223 -0.097 0.000 2.375 466 L HA 0.441 4.781 4.340 0.000 0.000 0.271 466 L C -0.208 176.543 176.870 -0.198 0.000 1.107 466 L CA -0.497 54.242 54.840 -0.167 0.000 0.806 466 L CB 1.529 43.513 42.059 -0.126 0.000 1.146 466 L HN 0.725 nan 8.230 nan 0.000 0.447 467 T N 1.503 115.861 114.554 -0.327 0.000 2.893 467 T HA 0.436 4.786 4.350 0.000 0.000 0.291 467 T C -2.682 171.919 174.700 -0.165 0.000 1.028 467 T CA -1.462 60.488 62.100 -0.249 0.000 0.995 467 T CB 2.012 70.707 68.868 -0.289 0.000 1.051 467 T HN 0.362 nan 8.240 nan 0.000 0.470 468 P HA 0.253 nan 4.420 nan 0.000 0.271 468 P C 0.293 177.578 177.300 -0.025 0.000 1.216 468 P CA -0.260 62.798 63.100 -0.071 0.000 0.776 468 P CB 0.813 32.435 31.700 -0.130 0.000 0.881 469 A N 2.836 125.591 122.820 -0.108 0.000 1.968 469 A HA -0.038 4.282 4.320 0.000 0.000 0.217 469 A C 1.486 178.917 177.584 -0.255 0.000 1.169 469 A CA 1.161 52.956 52.037 -0.404 0.000 0.638 469 A CB -0.532 18.030 19.000 -0.730 0.000 0.812 469 A HN 0.537 nan 8.150 nan 0.000 0.446 470 S N 0.096 115.663 115.700 -0.222 0.000 2.488 470 S HA 0.333 4.803 4.470 0.000 0.000 0.310 470 S C 1.143 175.490 174.600 -0.421 0.000 1.093 470 S CA 0.080 58.137 58.200 -0.239 0.000 1.129 470 S CB 0.381 63.448 63.200 -0.222 0.000 0.989 470 S HN 0.572 nan 8.310 nan 0.000 0.479 471 S N 4.107 119.659 115.700 -0.247 0.000 2.522 471 S HA 0.101 4.571 4.470 0.000 0.000 0.227 471 S C 0.809 175.349 174.600 -0.099 0.000 0.986 471 S CA 0.078 58.150 58.200 -0.214 0.000 0.929 471 S CB -1.027 62.119 63.200 -0.090 0.000 0.769 471 S HN 0.921 nan 8.310 nan 0.000 0.529 472 F N 0.183 120.134 119.950 0.002 0.000 2.988 472 F HA -0.190 4.337 4.527 0.000 0.000 0.287 472 F C 0.863 176.654 175.800 -0.015 0.000 0.781 472 F CA -0.094 57.914 58.000 0.013 0.000 1.221 472 F CB -1.547 37.459 39.000 0.011 0.000 1.392 472 F HN 0.654 nan 8.300 nan 0.000 0.425 473 G N -0.691 108.179 108.800 0.117 0.000 2.721 473 G HA2 0.824 4.784 3.960 0.000 0.000 0.296 473 G HA3 0.824 4.784 3.960 0.000 0.000 0.296 473 G C -1.692 173.165 174.900 -0.070 0.000 1.383 473 G CA -0.111 44.992 45.100 0.005 0.000 0.788 473 G HN 0.536 nan 8.290 nan 0.000 0.500 474 A N -0.806 121.932 122.820 -0.137 0.000 2.322 474 A HA 0.833 5.153 4.320 0.000 0.000 0.327 474 A C -0.672 176.749 177.584 -0.271 0.000 1.134 474 A CA -0.699 51.206 52.037 -0.218 0.000 0.831 474 A CB 1.045 19.913 19.000 -0.220 0.000 1.288 474 A HN 0.612 nan 8.150 nan 0.000 0.472 475 I N 1.822 122.173 120.570 -0.364 0.000 2.312 475 I HA 0.293 4.463 4.170 0.000 0.000 0.290 475 I C -0.028 175.647 176.117 -0.736 0.000 1.008 475 I CA 0.110 61.116 61.300 -0.489 0.000 1.226 475 I CB 1.480 39.210 38.000 -0.450 0.000 1.371 475 I HN 0.554 nan 8.210 nan 0.000 0.468 476 S N 5.440 120.695 115.700 -0.741 0.000 2.664 476 S HA 0.707 5.177 4.470 0.000 0.000 0.304 476 S C -0.646 173.349 174.600 -1.010 0.000 1.099 476 S CA -0.534 57.220 58.200 -0.743 0.000 1.003 476 S CB 1.561 64.559 63.200 -0.337 0.000 1.092 476 S HN 0.264 nan 8.310 nan 0.000 0.525 477 F N 0.282 120.105 119.950 -0.212 0.000 2.556 477 F HA 0.652 5.179 4.527 -0.000 0.000 0.327 477 F C 0.737 176.426 175.800 -0.186 0.000 1.059 477 F CA -0.649 57.227 58.000 -0.206 0.000 0.953 477 F CB 1.997 40.841 39.000 -0.261 0.000 1.227 477 F HN 0.332 nan 8.300 nan 0.000 0.478 478 T N 0.841 115.455 114.554 0.100 0.000 2.906 478 T HA 0.562 4.912 4.350 0.000 0.000 0.295 478 T C -1.617 173.139 174.700 0.094 0.000 1.075 478 T CA -0.906 61.262 62.100 0.112 0.000 1.005 478 T CB 1.962 70.900 68.868 0.117 0.000 1.136 478 T HN 0.617 nan 8.240 nan 0.000 0.498 479 N N 1.282 120.065 118.700 0.138 0.000 2.928 479 N HA 0.333 5.073 4.740 0.000 0.000 0.247 479 N C -3.026 172.560 175.510 0.127 0.000 1.141 479 N CA -1.046 52.060 53.050 0.093 0.000 0.977 479 N CB 1.662 40.168 38.487 0.031 0.000 1.663 479 N HN 0.227 nan 8.380 nan 0.000 0.509 480 P HA 0.186 nan 4.420 nan 0.000 0.263 480 P C 0.566 177.913 177.300 0.077 0.000 1.195 480 P CA 0.892 64.033 63.100 0.068 0.000 0.762 480 P CB 0.516 32.240 31.700 0.041 0.000 0.799 481 G N 2.791 111.637 108.800 0.077 0.000 2.238 481 G HA2 -0.246 3.714 3.960 0.000 0.000 0.217 481 G HA3 -0.246 3.714 3.960 0.000 0.000 0.217 481 G C -0.287 174.677 174.900 0.107 0.000 0.996 481 G CA -0.347 44.795 45.100 0.070 0.000 0.632 481 G HN 0.548 nan 8.290 nan 0.000 0.503 482 F N 2.892 122.843 119.950 0.002 0.000 2.420 482 F HA 0.629 5.156 4.527 0.000 0.000 0.352 482 F C 0.025 175.827 175.800 0.004 0.000 1.108 482 F CA -1.529 56.474 58.000 0.005 0.000 1.162 482 F CB 1.309 40.315 39.000 0.009 0.000 1.118 482 F HN 0.026 nan 8.300 nan 0.000 0.510 483 D N 5.728 125.601 120.400 -0.879 0.000 2.393 483 D HA 0.173 4.813 4.640 0.000 0.000 0.232 483 D C 0.977 176.625 176.300 -1.087 0.000 1.192 483 D CA -0.105 53.460 54.000 -0.724 0.000 0.882 483 D CB 0.542 41.108 40.800 -0.391 0.000 1.038 483 D HN 0.660 nan 8.370 nan 0.000 0.499 484 R N 2.599 122.689 120.500 -0.683 0.000 2.355 484 R HA -0.074 4.266 4.340 0.000 0.000 0.219 484 R C 0.883 177.053 176.300 -0.217 0.000 1.107 484 R CA 0.431 56.323 56.100 -0.346 0.000 1.021 484 R CB -0.049 30.202 30.300 -0.082 0.000 0.852 484 R HN 0.439 nan 8.270 nan 0.000 0.475 485 N N 0.557 119.108 118.700 -0.247 0.000 2.515 485 N HA -0.033 4.707 4.740 0.000 0.000 0.185 485 N C 1.209 176.655 175.510 -0.108 0.000 1.109 485 N CA 0.670 53.636 53.050 -0.140 0.000 0.903 485 N CB 0.251 38.666 38.487 -0.120 0.000 0.969 485 N HN 0.306 nan 8.380 nan 0.000 0.450 486 L N 0.040 121.179 121.223 -0.141 0.000 2.558 486 L HA 0.081 4.421 4.340 0.000 0.000 0.225 486 L C -0.189 176.725 176.870 0.073 0.000 1.128 486 L CA 0.233 55.063 54.840 -0.017 0.000 0.868 486 L CB -0.088 41.987 42.059 0.026 0.000 1.006 486 L HN -0.186 nan 8.230 nan 0.000 0.454 487 D N 1.873 122.316 120.400 0.072 0.000 2.346 487 D HA 0.208 4.848 4.640 0.000 0.000 0.260 487 D C 0.110 176.415 176.300 0.008 0.000 1.252 487 D CA 0.402 54.445 54.000 0.072 0.000 0.895 487 D CB 0.979 41.815 40.800 0.059 0.000 1.097 487 D HN 0.036 nan 8.370 nan 0.000 0.489 488 L N 4.337 125.565 121.223 0.007 0.000 2.349 488 L HA 0.260 4.600 4.340 0.000 0.000 0.275 488 L C -1.849 174.987 176.870 -0.058 0.000 1.115 488 L CA -1.681 53.153 54.840 -0.010 0.000 0.820 488 L CB 0.536 42.608 42.059 0.022 0.000 1.135 488 L HN 0.061 nan 8.230 nan 0.000 0.445 489 P HA 0.351 nan 4.420 nan 0.000 0.271 489 P C 0.083 177.277 177.300 -0.178 0.000 1.218 489 P CA 0.040 63.036 63.100 -0.173 0.000 0.780 489 P CB 1.117 32.691 31.700 -0.211 0.000 0.901 490 G N 0.523 109.156 108.800 -0.279 0.000 2.347 490 G HA2 0.062 4.022 3.960 0.000 0.000 0.224 490 G HA3 0.062 4.022 3.960 0.000 0.000 0.224 490 G C -1.121 173.520 174.900 -0.431 0.000 1.318 490 G CA -0.648 44.316 45.100 -0.228 0.000 1.016 490 G HN 0.272 nan 8.290 nan 0.000 0.469 491 F N 2.294 122.203 119.950 -0.068 0.000 2.791 491 F HA 0.516 5.043 4.527 -0.000 0.000 0.316 491 F C 1.499 177.271 175.800 -0.046 0.000 1.134 491 F CA 0.054 58.023 58.000 -0.053 0.000 1.222 491 F CB 0.939 39.920 39.000 -0.031 0.000 1.034 491 F HN 0.697 nan 8.300 nan 0.000 0.516 492 G N -0.081 108.758 108.800 0.066 0.000 2.516 492 G HA2 0.487 4.447 3.960 0.000 0.000 0.276 492 G HA3 0.487 4.447 3.960 0.000 0.000 0.276 492 G C 0.515 175.373 174.900 -0.069 0.000 1.390 492 G CA 0.239 45.347 45.100 0.015 0.000 1.050 492 G HN 0.640 nan 8.290 nan 0.000 0.519 493 G N -1.880 106.851 108.800 -0.115 0.000 2.828 493 G HA2 0.023 3.983 3.960 0.000 0.000 0.463 493 G HA3 0.023 3.983 3.960 0.000 0.000 0.463 493 G C -0.369 174.311 174.900 -0.366 0.000 1.394 493 G CA -0.256 44.722 45.100 -0.204 0.000 0.862 493 G HN 0.886 nan 8.290 nan 0.000 0.540 494 I N 1.264 121.543 120.570 -0.486 0.000 2.581 494 I HA 0.180 4.350 4.170 0.000 0.000 0.285 494 I C 1.394 176.960 176.117 -0.917 0.000 1.129 494 I CA 0.203 60.903 61.300 -0.999 0.000 1.397 494 I CB 0.680 38.303 38.000 -0.628 0.000 1.399 494 I HN 0.319 nan 8.210 nan 0.000 0.537 495 R N 4.946 124.741 120.500 -1.176 0.000 3.266 495 R HA 0.262 4.602 4.340 0.000 0.000 0.224 495 R C -0.672 175.478 176.300 -0.250 0.000 1.525 495 R CA -0.182 55.675 56.100 -0.405 0.000 1.364 495 R CB -0.450 29.857 30.300 0.011 0.000 1.276 495 R HN 0.547 nan 8.270 nan 0.000 0.660 496 D N -0.973 119.276 120.400 -0.252 0.000 2.652 496 D HA 0.272 4.912 4.640 0.000 0.000 0.285 496 D C -1.102 175.166 176.300 -0.053 0.000 1.173 496 D CA -0.372 53.573 54.000 -0.092 0.000 0.981 496 D CB 2.002 42.732 40.800 -0.118 0.000 1.440 496 D HN 0.069 nan 8.370 nan 0.000 0.485 497 S N 0.115 115.829 115.700 0.024 0.000 2.578 497 S HA 0.723 5.193 4.470 0.000 0.000 0.301 497 S C -1.348 173.327 174.600 0.126 0.000 1.091 497 S CA -0.580 57.651 58.200 0.052 0.000 1.032 497 S CB 0.742 63.977 63.200 0.058 0.000 1.064 497 S HN 0.343 nan 8.310 nan 0.000 0.508 498 L N 3.438 124.729 121.223 0.113 0.000 2.313 498 L HA 0.517 4.857 4.340 0.000 0.000 0.283 498 L C -0.281 176.675 176.870 0.145 0.000 1.013 498 L CA -0.359 54.562 54.840 0.134 0.000 0.816 498 L CB 1.566 43.664 42.059 0.066 0.000 1.236 498 L HN 0.784 nan 8.230 nan 0.000 0.419 499 D N 2.256 122.766 120.400 0.182 0.000 2.419 499 D HA 0.012 4.652 4.640 0.000 0.000 0.236 499 D C 0.761 177.087 176.300 0.043 0.000 1.165 499 D CA 0.310 54.358 54.000 0.079 0.000 0.882 499 D CB 1.114 41.996 40.800 0.137 0.000 1.201 499 D HN 0.363 nan 8.370 nan 0.000 0.443 500 V N 2.532 122.434 119.914 -0.021 0.000 3.307 500 V HA 0.007 4.127 4.120 0.000 0.000 0.253 500 V C 1.235 177.335 176.094 0.011 0.000 1.149 500 V CA 0.803 63.097 62.300 -0.010 0.000 1.112 500 V CB -0.355 31.435 31.823 -0.055 0.000 0.777 500 V HN 0.585 nan 8.190 nan 0.000 0.464 501 N N -1.572 117.144 118.700 0.027 0.000 2.463 501 N HA 0.156 4.896 4.740 0.000 0.000 0.183 501 N C 0.779 176.332 175.510 0.071 0.000 1.064 501 N CA 0.079 53.135 53.050 0.010 0.000 0.879 501 N CB 0.148 38.596 38.487 -0.065 0.000 1.148 501 N HN 0.274 nan 8.380 nan 0.000 0.451 502 M N 1.961 121.647 119.600 0.142 0.000 2.250 502 M HA 0.048 4.528 4.480 0.000 0.000 0.325 502 M C 1.141 177.562 176.300 0.202 0.000 1.084 502 M CA 0.131 55.549 55.300 0.198 0.000 1.161 502 M CB 0.356 33.074 32.600 0.197 0.000 1.481 502 M HN 0.071 nan 8.290 nan 0.000 0.449 503 S N 1.053 116.910 115.700 0.261 0.000 2.645 503 S HA 0.551 5.021 4.470 0.000 0.000 0.266 503 S C 0.027 174.884 174.600 0.428 0.000 1.258 503 S CA -0.586 57.785 58.200 0.284 0.000 0.990 503 S CB 1.348 64.699 63.200 0.251 0.000 0.967 503 S HN 0.772 nan 8.310 nan 0.000 0.556 504 T N -1.090 113.652 114.554 0.314 0.000 2.824 504 T HA 0.730 5.080 4.350 0.000 0.000 0.282 504 T C -0.399 174.348 174.700 0.078 0.000 0.993 504 T CA -0.523 61.711 62.100 0.222 0.000 0.967 504 T CB 0.969 69.799 68.868 -0.063 0.000 0.960 504 T HN 1.178 nan 8.240 nan 0.000 0.441 505 A N 2.909 125.689 122.820 -0.067 0.000 2.322 505 A HA 0.947 5.267 4.320 0.000 0.000 0.327 505 A C -0.567 176.857 177.584 -0.266 0.000 1.134 505 A CA -0.858 50.931 52.037 -0.412 0.000 0.831 505 A CB 1.840 20.229 19.000 -1.018 0.000 1.288 505 A HN 1.350 nan 8.150 nan 0.000 0.472 506 V N -0.440 119.298 119.914 -0.293 0.000 3.012 506 V HA 0.656 4.776 4.120 0.000 0.000 0.307 506 V C -1.397 174.454 176.094 -0.405 0.000 1.166 506 V CA -0.324 61.796 62.300 -0.299 0.000 0.974 506 V CB 1.737 33.395 31.823 -0.275 0.000 1.040 506 V HN 1.550 nan 8.190 nan 0.000 0.428 507 C N 4.933 123.946 119.300 -0.479 0.000 2.701 507 C HA 0.803 5.263 4.460 0.000 0.000 0.336 507 C C -0.984 173.679 174.990 -0.544 0.000 1.123 507 C CA -0.285 58.449 59.018 -0.475 0.000 1.326 507 C CB 0.728 28.285 27.740 -0.306 0.000 1.833 507 C HN 1.094 nan 8.230 nan 0.000 0.473 508 H N 2.968 121.868 119.070 -0.284 0.000 2.572 508 H HA 0.714 5.270 4.556 0.000 0.000 0.359 508 H C -1.154 174.031 175.328 -0.237 0.000 1.134 508 H CA -0.336 55.632 56.048 -0.134 0.000 1.187 508 H CB 1.489 31.232 29.762 -0.033 0.000 1.597 508 H HN 0.538 nan 8.280 nan 0.000 0.524 509 F N 1.293 121.380 119.950 0.228 0.000 2.540 509 F HA 0.557 5.084 4.527 -0.000 0.000 0.317 509 F C 0.141 175.840 175.800 -0.168 0.000 1.104 509 F CA -0.805 57.221 58.000 0.044 0.000 0.913 509 F CB 1.649 40.571 39.000 -0.131 0.000 1.170 509 F HN 0.259 nan 8.300 nan 0.000 0.450 510 R N 0.341 120.661 120.500 -0.301 0.000 2.837 510 R HA 0.479 4.819 4.340 0.000 0.000 0.271 510 R C -0.126 175.834 176.300 -0.566 0.000 0.993 510 R CA -0.920 54.833 56.100 -0.578 0.000 0.931 510 R CB 1.953 31.633 30.300 -1.034 0.000 1.206 510 R HN 0.716 nan 8.270 nan 0.000 0.474 511 S N 0.362 115.859 115.700 -0.337 0.000 3.533 511 S HA -0.163 4.307 4.470 0.000 0.000 0.347 511 S C -0.007 174.535 174.600 -0.096 0.000 1.101 511 S CA 0.400 58.509 58.200 -0.152 0.000 1.009 511 S CB -1.053 62.118 63.200 -0.048 0.000 0.916 511 S HN 0.324 nan 8.310 nan 0.000 0.496 512 L N 1.931 123.046 121.223 -0.180 0.000 2.416 512 L HA 0.394 4.734 4.340 0.000 0.000 0.272 512 L C 0.969 177.895 176.870 0.093 0.000 1.161 512 L CA 0.710 55.469 54.840 -0.135 0.000 0.845 512 L CB 0.976 42.734 42.059 -0.502 0.000 1.119 512 L HN 0.372 nan 8.230 nan 0.000 0.464 513 S N 2.754 118.540 115.700 0.143 0.000 2.576 513 S HA 0.065 4.535 4.470 0.000 0.000 0.272 513 S C 1.126 175.919 174.600 0.321 0.000 1.352 513 S CA -0.090 58.217 58.200 0.179 0.000 1.021 513 S CB 0.417 63.684 63.200 0.112 0.000 0.887 513 S HN 0.648 nan 8.310 nan 0.000 0.542 514 K N 1.615 122.118 120.400 0.172 0.000 2.487 514 K HA 0.088 4.408 4.320 0.000 0.000 0.192 514 K C 1.233 177.807 176.600 -0.044 0.000 1.027 514 K CA 0.315 56.590 56.287 -0.018 0.000 1.054 514 K CB 0.029 32.443 32.500 -0.143 0.000 0.824 514 K HN 0.426 nan 8.250 nan 0.000 0.510 515 S N 0.265 115.993 115.700 0.046 0.000 2.548 515 S HA 0.001 4.471 4.470 0.000 0.000 0.215 515 S C 0.471 175.115 174.600 0.073 0.000 0.976 515 S CA -0.257 57.960 58.200 0.028 0.000 0.908 515 S CB 0.133 63.349 63.200 0.026 0.000 0.781 515 S HN 0.337 nan 8.310 nan 0.000 0.519 516 C N 3.396 122.794 119.300 0.164 0.000 2.285 516 C HA 0.711 5.171 4.460 0.000 0.000 0.335 516 C C 0.344 175.512 174.990 0.297 0.000 1.267 516 C CA -0.486 58.643 59.018 0.186 0.000 1.762 516 C CB -0.763 27.074 27.740 0.162 0.000 2.365 516 C HN 0.368 nan 8.230 nan 0.000 0.527 517 S N 5.326 121.135 115.700 0.181 0.000 2.664 517 S HA 0.704 5.174 4.470 0.000 0.000 0.304 517 S C -0.806 173.855 174.600 0.102 0.000 1.099 517 S CA -0.591 57.739 58.200 0.218 0.000 1.003 517 S CB 1.359 64.634 63.200 0.125 0.000 1.092 517 S HN 0.732 nan 8.310 nan 0.000 0.525 518 I N 1.905 122.531 120.570 0.094 0.000 2.439 518 I HA 0.302 4.472 4.170 0.000 0.000 0.283 518 I C -1.099 175.029 176.117 0.019 0.000 1.023 518 I CA -0.740 60.526 61.300 -0.056 0.000 1.100 518 I CB 1.658 39.495 38.000 -0.271 0.000 1.238 518 I HN 0.280 nan 8.210 nan 0.000 0.445 519 V N 4.872 124.790 119.914 0.006 0.000 2.461 519 V HA 0.298 4.418 4.120 0.000 0.000 0.275 519 V C 0.542 176.656 176.094 0.033 0.000 1.047 519 V CA -0.371 61.954 62.300 0.042 0.000 0.955 519 V CB 1.400 33.237 31.823 0.024 0.000 0.988 519 V HN 0.814 nan 8.190 nan 0.000 0.471 520 T N 2.261 116.869 114.554 0.090 0.000 2.770 520 T HA 0.541 4.891 4.350 0.000 0.000 0.283 520 T C -0.583 174.164 174.700 0.079 0.000 0.988 520 T CA -0.914 61.235 62.100 0.083 0.000 0.957 520 T CB 0.873 69.811 68.868 0.115 0.000 0.930 520 T HN 0.583 nan 8.240 nan 0.000 0.443 521 K N 2.900 123.333 120.400 0.055 0.000 2.316 521 K HA 0.464 4.784 4.320 0.000 0.000 0.267 521 K C -0.165 176.481 176.600 0.076 0.000 1.025 521 K CA -0.627 55.669 56.287 0.015 0.000 0.896 521 K CB 1.511 34.034 32.500 0.038 0.000 1.124 521 K HN 0.783 nan 8.250 nan 0.000 0.451 522 T N 2.097 116.659 114.554 0.014 0.000 2.792 522 T HA 0.406 4.756 4.350 0.000 0.000 0.280 522 T C -1.183 173.529 174.700 0.019 0.000 0.990 522 T CA -0.554 61.622 62.100 0.126 0.000 0.960 522 T CB 0.354 69.352 68.868 0.217 0.000 0.939 522 T HN 0.329 nan 8.240 nan 0.000 0.439 523 Y N 3.125 123.558 120.300 0.221 0.000 2.328 523 Y HA 0.540 5.090 4.550 0.000 0.000 0.337 523 Y C 0.414 176.510 175.900 0.327 0.000 0.966 523 Y CA -0.683 57.579 58.100 0.270 0.000 1.136 523 Y CB 1.874 40.514 38.460 0.300 0.000 1.170 523 Y HN 0.672 nan 8.280 nan 0.000 0.470 524 Q N 2.389 122.415 119.800 0.377 0.000 2.274 524 Q HA 0.647 4.987 4.340 0.000 0.000 0.268 524 Q C -0.977 175.052 176.000 0.048 0.000 1.015 524 Q CA -0.730 55.211 55.803 0.231 0.000 0.775 524 Q CB 1.776 30.624 28.738 0.184 0.000 1.256 524 Q HN 0.928 nan 8.270 nan 0.000 0.442 525 G N 3.723 112.239 108.800 -0.474 0.000 2.388 525 G HA2 0.681 4.641 3.960 0.000 0.000 0.330 525 G HA3 0.681 4.641 3.960 0.000 0.000 0.330 525 G C -1.321 173.495 174.900 -0.140 0.000 1.142 525 G CA -0.516 44.205 45.100 -0.631 0.000 0.908 525 G HN 0.612 nan 8.290 nan 0.000 0.473 526 W N 1.358 122.573 121.300 -0.142 0.000 3.107 526 W HA 0.780 5.440 4.660 0.000 0.000 0.331 526 W C -1.472 175.046 176.519 -0.001 0.000 1.204 526 W CA -1.252 56.101 57.345 0.013 0.000 1.184 526 W CB 1.511 31.059 29.460 0.147 0.000 1.421 526 W HN 0.571 nan 8.180 nan 0.000 0.544 527 E N 1.100 121.416 120.200 0.193 0.000 2.256 527 E HA 0.630 4.980 4.350 0.000 0.000 0.268 527 E C -0.864 175.876 176.600 0.234 0.000 0.877 527 E CA -0.533 55.863 56.400 -0.007 0.000 0.757 527 E CB 2.295 31.945 29.700 -0.083 0.000 1.183 527 E HN 0.799 nan 8.360 nan 0.000 0.418 528 G N 1.391 110.311 108.800 0.200 0.000 2.692 528 G HA2 0.485 4.445 3.960 0.000 0.000 0.291 528 G HA3 0.485 4.445 3.960 0.000 0.000 0.291 528 G C -1.317 173.654 174.900 0.119 0.000 1.423 528 G CA -0.514 44.742 45.100 0.260 0.000 0.843 528 G HN 0.365 nan 8.290 nan 0.000 0.486 529 V N 0.889 120.831 119.914 0.046 0.000 2.472 529 V HA 0.647 4.767 4.120 0.000 0.000 0.290 529 V C 0.803 176.980 176.094 0.138 0.000 1.037 529 V CA -0.485 61.782 62.300 -0.054 0.000 0.908 529 V CB 1.350 33.017 31.823 -0.260 0.000 0.985 529 V HN 1.047 nan 8.190 nan 0.000 0.454 530 T N 0.810 115.546 114.554 0.303 0.000 2.934 530 T HA 0.493 4.843 4.350 0.000 0.000 0.283 530 T C 0.118 174.999 174.700 0.302 0.000 1.005 530 T CA -0.409 61.890 62.100 0.332 0.000 1.041 530 T CB 2.304 71.391 68.868 0.366 0.000 1.042 530 T HN 0.630 nan 8.240 nan 0.000 0.505 531 N N -0.020 118.805 118.700 0.208 0.000 3.342 531 N HA 0.277 5.017 4.740 0.000 0.000 0.211 531 N C -0.473 175.102 175.510 0.109 0.000 1.380 531 N CA 0.737 53.880 53.050 0.155 0.000 1.192 531 N CB 0.477 39.035 38.487 0.118 0.000 1.060 531 N HN 0.818 nan 8.380 nan 0.000 0.743 532 V N -1.601 118.366 119.914 0.088 0.000 3.130 532 V HA 0.593 4.713 4.120 0.000 0.000 0.310 532 V C -0.798 175.326 176.094 0.050 0.000 1.158 532 V CA -0.824 61.512 62.300 0.059 0.000 1.029 532 V CB 1.298 33.149 31.823 0.046 0.000 1.057 532 V HN 0.507 nan 8.190 nan 0.000 0.436 533 N N -0.218 118.500 118.700 0.029 0.000 2.707 533 N HA -0.176 4.564 4.740 0.000 0.000 0.253 533 N C -0.139 175.371 175.510 -0.001 0.000 0.998 533 N CA 1.595 54.652 53.050 0.010 0.000 0.751 533 N CB -1.109 37.384 38.487 0.010 0.000 0.920 533 N HN 1.192 nan 8.380 nan 0.000 0.539 534 T N -1.362 113.195 114.554 0.006 0.000 2.893 534 T HA 0.563 4.913 4.350 0.000 0.000 0.291 534 T C -1.771 172.890 174.700 -0.066 0.000 1.028 534 T CA -1.740 60.342 62.100 -0.030 0.000 0.995 534 T CB 1.674 70.593 68.868 0.085 0.000 1.051 534 T HN -0.082 nan 8.240 nan 0.000 0.470 535 P HA 0.189 nan 4.420 nan 0.000 0.239 535 P C 1.119 178.480 177.300 0.101 0.000 1.188 535 P CA 0.475 63.492 63.100 -0.139 0.000 0.794 535 P CB 0.106 31.642 31.700 -0.274 0.000 0.937 536 F N 0.414 120.531 119.950 0.279 0.000 2.558 536 F HA 0.105 4.632 4.527 0.000 0.000 0.298 536 F C 2.588 178.566 175.800 0.297 0.000 1.119 536 F CA 0.311 58.539 58.000 0.380 0.000 1.451 536 F CB -0.752 38.459 39.000 0.350 0.000 1.091 536 F HN -0.041 nan 8.300 nan 0.000 0.563 537 G N 0.848 109.843 108.800 0.323 0.000 2.469 537 G HA2 -0.309 3.651 3.960 0.000 0.000 0.219 537 G HA3 -0.309 3.651 3.960 0.000 0.000 0.219 537 G C 1.496 176.438 174.900 0.070 0.000 1.150 537 G CA 0.883 46.094 45.100 0.184 0.000 0.763 537 G HN 0.510 nan 8.290 nan 0.000 0.561 538 Q N -0.791 118.987 119.800 -0.037 0.000 2.500 538 Q HA 0.094 4.434 4.340 0.000 0.000 0.213 538 Q C 1.245 176.996 176.000 -0.415 0.000 0.974 538 Q CA 0.704 56.349 55.803 -0.264 0.000 0.918 538 Q CB -0.286 28.203 28.738 -0.414 0.000 0.980 538 Q HN 0.537 nan 8.270 nan 0.000 0.505 539 F N 0.665 120.622 119.950 0.012 0.000 2.678 539 F HA 0.440 4.967 4.527 -0.000 0.000 0.305 539 F C 0.957 176.574 175.800 -0.305 0.000 1.090 539 F CA -0.555 57.375 58.000 -0.117 0.000 1.272 539 F CB 0.517 39.484 39.000 -0.055 0.000 1.060 539 F HN 0.057 nan 8.300 nan 0.000 0.576 540 A N 0.220 123.041 122.820 0.001 0.000 2.445 540 A HA 0.433 4.753 4.320 0.000 0.000 0.242 540 A C -0.424 177.158 177.584 -0.003 0.000 1.075 540 A CA 0.334 52.387 52.037 0.026 0.000 0.777 540 A CB -0.002 19.119 19.000 0.202 0.000 1.013 540 A HN 0.543 nan 8.150 nan 0.000 0.493 541 H N -0.393 118.757 119.070 0.135 0.000 2.931 541 H HA 0.424 4.980 4.556 0.000 0.000 0.331 541 H C -0.225 175.179 175.328 0.127 0.000 1.273 541 H CA -1.060 55.042 56.048 0.091 0.000 1.171 541 H CB 1.681 31.474 29.762 0.051 0.000 1.898 541 H HN 0.655 nan 8.280 nan 0.000 0.562 542 S N 0.279 116.118 115.700 0.232 0.000 2.564 542 S HA 0.214 4.684 4.470 0.000 0.000 0.278 542 S C 0.585 175.255 174.600 0.117 0.000 1.333 542 S CA -0.388 57.911 58.200 0.166 0.000 1.048 542 S CB 0.954 64.216 63.200 0.104 0.000 0.900 542 S HN 0.683 nan 8.310 nan 0.000 0.505 543 G N 1.278 110.127 108.800 0.082 0.000 2.569 543 G HA2 0.433 4.393 3.960 0.000 0.000 0.249 543 G HA3 0.433 4.393 3.960 0.000 0.000 0.249 543 G C -0.247 174.654 174.900 0.001 0.000 1.216 543 G CA -0.733 44.375 45.100 0.014 0.000 0.845 543 G HN 0.617 nan 8.290 nan 0.000 0.568 544 L N 0.108 121.308 121.223 -0.038 0.000 2.418 544 L HA 0.302 4.641 4.340 0.000 0.000 0.265 544 L C 0.642 177.485 176.870 -0.045 0.000 1.143 544 L CA -0.593 54.221 54.840 -0.043 0.000 0.809 544 L CB 0.738 42.752 42.059 -0.076 0.000 1.124 544 L HN 0.268 nan 8.230 nan 0.000 0.456 545 L N 1.584 122.787 121.223 -0.032 0.000 2.466 545 L HA 0.228 4.568 4.340 0.000 0.000 0.257 545 L C 0.526 177.364 176.870 -0.053 0.000 1.189 545 L CA -0.325 54.502 54.840 -0.023 0.000 0.813 545 L CB 0.295 42.346 42.059 -0.014 0.000 1.118 545 L HN 0.548 nan 8.230 nan 0.000 0.471 546 K N 2.099 122.479 120.400 -0.033 0.000 2.339 546 K HA 0.045 4.365 4.320 0.000 0.000 0.286 546 K C -0.438 176.131 176.600 -0.052 0.000 1.050 546 K CA -0.213 56.047 56.287 -0.045 0.000 0.956 546 K CB 0.402 32.893 32.500 -0.014 0.000 0.990 546 K HN 0.467 nan 8.250 nan 0.000 0.475 547 N N 5.009 123.670 118.700 -0.065 0.000 2.851 547 N HA 0.028 4.768 4.740 0.000 0.000 0.248 547 N C -0.278 175.212 175.510 -0.033 0.000 1.221 547 N CA -0.271 52.742 53.050 -0.061 0.000 0.847 547 N CB 0.774 39.221 38.487 -0.065 0.000 1.150 547 N HN 0.672 nan 8.380 nan 0.000 0.507 548 D N 1.618 122.007 120.400 -0.018 0.000 2.204 548 D HA -0.258 4.382 4.640 0.000 0.000 0.189 548 D C 1.089 177.392 176.300 0.004 0.000 1.006 548 D CA 1.779 55.779 54.000 0.002 0.000 0.855 548 D CB 0.345 41.151 40.800 0.010 0.000 0.946 548 D HN 0.660 nan 8.370 nan 0.000 0.448 549 E N 0.114 120.305 120.200 -0.016 0.000 2.070 549 E HA -0.185 4.165 4.350 0.000 0.000 0.197 549 E C 2.339 178.919 176.600 -0.033 0.000 1.004 549 E CA 0.650 57.033 56.400 -0.030 0.000 0.805 549 E CB -0.059 29.607 29.700 -0.056 0.000 0.744 549 E HN 0.289 nan 8.360 nan 0.000 0.451 550 I N 0.977 121.524 120.570 -0.038 0.000 2.226 550 I HA -0.227 3.943 4.170 0.000 0.000 0.245 550 I C 2.370 178.583 176.117 0.162 0.000 1.100 550 I CA 0.947 62.240 61.300 -0.012 0.000 1.374 550 I CB -0.892 37.118 38.000 0.017 0.000 1.057 550 I HN 0.169 nan 8.210 nan 0.000 0.413 551 L N 0.298 121.609 121.223 0.147 0.000 2.042 551 L HA -0.263 4.077 4.340 0.000 0.000 0.210 551 L C 2.893 179.870 176.870 0.179 0.000 1.076 551 L CA 1.607 56.564 54.840 0.195 0.000 0.749 551 L CB -1.788 40.325 42.059 0.090 0.000 0.893 551 L HN 0.389 nan 8.230 nan 0.000 0.432 552 C N -0.750 118.614 119.300 0.105 0.000 2.446 552 C HA -0.113 4.347 4.460 0.000 0.000 0.277 552 C C 2.922 177.968 174.990 0.094 0.000 1.275 552 C CA 0.218 59.286 59.018 0.083 0.000 1.727 552 C CB -0.831 26.935 27.740 0.044 0.000 2.010 552 C HN 0.475 nan 8.230 nan 0.000 0.486 553 L N 0.808 122.081 121.223 0.083 0.000 2.083 553 L HA -0.078 4.262 4.340 0.000 0.000 0.209 553 L C 2.808 179.797 176.870 0.198 0.000 1.083 553 L CA 1.753 56.646 54.840 0.089 0.000 0.752 553 L CB -0.620 41.433 42.059 -0.010 0.000 0.899 553 L HN 0.482 nan 8.230 nan 0.000 0.433 554 A N -0.329 122.657 122.820 0.277 0.000 1.877 554 A HA -0.240 4.080 4.320 0.000 0.000 0.216 554 A C 1.860 179.591 177.584 0.245 0.000 1.186 554 A CA 1.870 54.072 52.037 0.275 0.000 0.620 554 A CB -0.554 18.610 19.000 0.275 0.000 0.822 554 A HN 0.429 nan 8.150 nan 0.000 0.443 555 D N 0.365 120.896 120.400 0.219 0.000 2.104 555 D HA -0.140 4.500 4.640 0.000 0.000 0.194 555 D C 1.389 177.763 176.300 0.123 0.000 0.994 555 D CA 1.447 55.553 54.000 0.177 0.000 0.830 555 D CB -0.457 40.417 40.800 0.124 0.000 0.959 555 D HN 0.395 nan 8.370 nan 0.000 0.452 556 D N 0.441 120.900 120.400 0.099 0.000 2.123 556 D HA -0.110 4.530 4.640 0.000 0.000 0.196 556 D C 2.408 178.754 176.300 0.076 0.000 0.992 556 D CA 0.524 54.568 54.000 0.073 0.000 0.833 556 D CB -0.228 40.606 40.800 0.058 0.000 0.954 556 D HN 0.254 nan 8.370 nan 0.000 0.455 557 L N 0.627 121.894 121.223 0.074 0.000 2.072 557 L HA -0.072 4.268 4.340 0.000 0.000 0.205 557 L C 2.604 179.517 176.870 0.072 0.000 1.079 557 L CA 0.893 55.773 54.840 0.067 0.000 0.752 557 L CB -0.414 41.630 42.059 -0.024 0.000 0.906 557 L HN -0.047 nan 8.230 nan 0.000 0.436 558 A N -0.458 122.405 122.820 0.072 0.000 1.972 558 A HA -0.182 4.138 4.320 0.000 0.000 0.219 558 A C 2.341 179.934 177.584 0.015 0.000 1.169 558 A CA 2.250 54.309 52.037 0.036 0.000 0.635 558 A CB -0.752 18.339 19.000 0.152 0.000 0.810 558 A HN 0.372 nan 8.150 nan 0.000 0.446 559 T N -1.224 113.356 114.554 0.043 0.000 2.896 559 T HA -0.046 4.304 4.350 0.000 0.000 0.263 559 T C 2.114 176.824 174.700 0.017 0.000 1.050 559 T CA 1.175 63.288 62.100 0.021 0.000 1.140 559 T CB -0.121 68.767 68.868 0.033 0.000 0.877 559 T HN 0.469 nan 8.240 nan 0.000 0.457 560 R N 0.131 120.662 120.500 0.050 0.000 2.057 560 R HA 0.114 4.454 4.340 0.000 0.000 0.229 560 R C 0.465 176.796 176.300 0.052 0.000 1.136 560 R CA 0.536 56.676 56.100 0.066 0.000 0.952 560 R CB -0.391 29.987 30.300 0.130 0.000 0.848 560 R HN 0.318 nan 8.270 nan 0.000 0.430 561 L N 0.669 121.938 121.223 0.078 0.000 2.461 561 L HA -0.017 4.323 4.340 0.000 0.000 0.272 561 L C 1.966 178.820 176.870 -0.025 0.000 1.197 561 L CA -0.055 54.835 54.840 0.082 0.000 0.836 561 L CB 1.063 43.221 42.059 0.164 0.000 1.105 561 L HN 0.340 nan 8.230 nan 0.000 0.477 562 T N -1.907 112.610 114.554 -0.063 0.000 2.867 562 T HA -0.020 4.330 4.350 0.000 0.000 0.268 562 T C 1.432 175.932 174.700 -0.332 0.000 1.057 562 T CA 0.695 62.676 62.100 -0.197 0.000 1.136 562 T CB -0.175 68.558 68.868 -0.226 0.000 0.874 562 T HN 1.018 nan 8.240 nan 0.000 0.466 563 G N 0.291 108.793 108.800 -0.498 0.000 2.199 563 G HA2 -0.196 3.764 3.960 0.000 0.000 0.254 563 G HA3 -0.196 3.764 3.960 0.000 0.000 0.254 563 G C 0.212 174.728 174.900 -0.639 0.000 0.982 563 G CA 0.226 44.993 45.100 -0.554 0.000 0.632 563 G HN 1.464 nan 8.290 nan 0.000 0.529 564 V N 0.794 120.155 119.914 -0.922 0.000 2.525 564 V HA 0.868 4.988 4.120 0.000 0.000 0.299 564 V C -0.510 175.119 176.094 -0.775 0.000 1.034 564 V CA -1.086 60.820 62.300 -0.657 0.000 0.863 564 V CB 0.948 32.624 31.823 -0.246 0.000 0.999 564 V HN 0.503 nan 8.190 nan 0.000 0.423 565 Y N 4.030 124.368 120.300 0.063 0.000 2.857 565 Y HA 0.873 5.423 4.550 0.000 0.000 0.318 565 Y C 0.938 176.956 175.900 0.196 0.000 1.313 565 Y CA -0.612 57.570 58.100 0.137 0.000 1.117 565 Y CB 0.961 39.479 38.460 0.097 0.000 1.344 565 Y HN 0.727 nan 8.280 nan 0.000 0.525 566 G N -0.504 108.518 108.800 0.370 0.000 2.507 566 G HA2 0.433 4.393 3.960 0.000 0.000 0.271 566 G HA3 0.433 4.393 3.960 0.000 0.000 0.271 566 G C 0.508 175.479 174.900 0.118 0.000 1.189 566 G CA -0.185 45.052 45.100 0.229 0.000 0.859 566 G HN 0.879 nan 8.290 nan 0.000 0.542 567 A N 0.052 122.868 122.820 -0.007 0.000 2.067 567 A HA 0.008 4.328 4.320 0.000 0.000 0.219 567 A C 2.364 179.915 177.584 -0.055 0.000 1.158 567 A CA 2.106 54.114 52.037 -0.050 0.000 0.661 567 A CB -0.643 18.309 19.000 -0.081 0.000 0.801 567 A HN 0.928 nan 8.150 nan 0.000 0.452 568 T N -3.257 111.297 114.554 0.001 0.000 3.118 568 T HA 0.006 4.356 4.350 0.000 0.000 0.260 568 T C 0.495 175.175 174.700 -0.032 0.000 1.139 568 T CA 1.031 63.132 62.100 0.000 0.000 1.085 568 T CB -0.087 68.809 68.868 0.047 0.000 0.934 568 T HN 0.340 nan 8.240 nan 0.000 0.518 569 D N 1.278 121.651 120.400 -0.044 0.000 2.395 569 D HA 0.101 4.741 4.640 0.000 0.000 0.213 569 D C 1.172 177.366 176.300 -0.176 0.000 1.110 569 D CA -0.065 53.864 54.000 -0.118 0.000 0.835 569 D CB -0.265 40.500 40.800 -0.058 0.000 0.965 569 D HN 0.596 nan 8.370 nan 0.000 0.505 570 N N 1.018 119.533 118.700 -0.308 0.000 2.515 570 N HA -0.065 4.675 4.740 0.000 0.000 0.191 570 N C 0.528 175.791 175.510 -0.412 0.000 1.182 570 N CA -0.283 52.333 53.050 -0.722 0.000 0.879 570 N CB -0.272 37.783 38.487 -0.721 0.000 0.984 570 N HN -0.055 nan 8.380 nan 0.000 0.453 571 F N -0.007 119.937 119.950 -0.010 0.000 2.304 571 F HA -0.157 4.370 4.527 0.000 0.000 0.191 571 F C 0.794 176.567 175.800 -0.046 0.000 0.702 571 F CA -0.996 56.991 58.000 -0.023 0.000 0.914 571 F CB -0.704 38.283 39.000 -0.022 0.000 0.845 571 F HN -0.109 nan 8.300 nan 0.000 0.668 572 A N 1.313 124.247 122.820 0.191 0.000 2.546 572 A HA 0.421 4.741 4.320 0.000 0.000 0.243 572 A C 1.134 178.737 177.584 0.031 0.000 1.063 572 A CA 0.192 52.257 52.037 0.046 0.000 0.757 572 A CB -1.200 17.826 19.000 0.043 0.000 0.991 572 A HN 2.538 nan 8.150 nan 0.000 0.503 573 A N 1.065 123.824 122.820 -0.102 0.000 2.783 573 A HA -0.006 4.314 4.320 0.000 0.000 0.292 573 A C 1.581 179.095 177.584 -0.117 0.000 1.495 573 A CA 1.469 53.440 52.037 -0.111 0.000 0.787 573 A CB -1.842 17.108 19.000 -0.083 0.000 1.017 573 A HN 2.482 nan 8.150 nan 0.000 0.516 574 A N -1.147 121.482 122.820 -0.318 0.000 2.015 574 A HA 0.172 4.492 4.320 0.000 0.000 0.219 574 A C 2.031 179.456 177.584 -0.265 0.000 1.163 574 A CA 1.858 53.574 52.037 -0.534 0.000 0.646 574 A CB -0.410 17.919 19.000 -1.118 0.000 0.806 574 A HN 1.287 nan 8.150 nan 0.000 0.448 575 V N 0.175 119.933 119.914 -0.259 0.000 2.515 575 V HA -0.221 3.899 4.120 0.000 0.000 0.250 575 V C 2.456 178.548 176.094 -0.003 0.000 1.058 575 V CA 1.661 63.854 62.300 -0.178 0.000 1.064 575 V CB -0.773 30.853 31.823 -0.328 0.000 0.675 575 V HN 0.564 nan 8.190 nan 0.000 0.461 576 L N 0.191 121.408 121.223 -0.009 0.000 2.056 576 L HA -0.093 4.247 4.340 0.000 0.000 0.207 576 L C 2.810 179.769 176.870 0.149 0.000 1.078 576 L CA 1.406 56.298 54.840 0.086 0.000 0.749 576 L CB -0.882 41.151 42.059 -0.044 0.000 0.901 576 L HN 0.349 nan 8.230 nan 0.000 0.433 577 A N 0.260 123.152 122.820 0.120 0.000 1.883 577 A HA -0.294 4.026 4.320 0.000 0.000 0.217 577 A C 2.187 179.908 177.584 0.228 0.000 1.186 577 A CA 1.815 53.957 52.037 0.174 0.000 0.624 577 A CB -0.882 18.268 19.000 0.251 0.000 0.822 577 A HN 0.392 nan 8.150 nan 0.000 0.444 578 F N 1.067 121.046 119.950 0.048 0.000 2.069 578 F HA -0.095 4.432 4.527 -0.000 0.000 0.298 578 F C 2.559 178.404 175.800 0.076 0.000 1.113 578 F CA 1.097 59.120 58.000 0.038 0.000 1.214 578 F CB -0.891 38.092 39.000 -0.028 0.000 0.978 578 F HN 0.251 nan 8.300 nan 0.000 0.474 579 A N 0.383 123.156 122.820 -0.079 0.000 1.902 579 A HA -0.034 4.286 4.320 0.000 0.000 0.217 579 A C 2.450 180.112 177.584 0.129 0.000 1.181 579 A CA 1.957 53.914 52.037 -0.133 0.000 0.623 579 A CB -1.586 17.301 19.000 -0.188 0.000 0.818 579 A HN 0.520 nan 8.150 nan 0.000 0.443 580 A N 0.153 123.179 122.820 0.343 0.000 1.933 580 A HA -0.217 4.103 4.320 0.000 0.000 0.218 580 A C 1.912 179.593 177.584 0.161 0.000 1.175 580 A CA 1.728 53.993 52.037 0.381 0.000 0.628 580 A CB -0.796 18.382 19.000 0.295 0.000 0.814 580 A HN 0.747 nan 8.150 nan 0.000 0.444 581 N N -0.786 117.972 118.700 0.097 0.000 2.135 581 N HA -0.103 4.637 4.740 0.000 0.000 0.186 581 N C 1.732 177.240 175.510 -0.003 0.000 1.027 581 N CA 1.395 54.481 53.050 0.060 0.000 0.849 581 N CB -0.205 38.343 38.487 0.101 0.000 1.002 581 N HN 0.266 nan 8.380 nan 0.000 0.425 582 M N 0.802 120.340 119.600 -0.102 0.000 2.108 582 M HA -0.090 4.390 4.480 0.000 0.000 0.261 582 M C 2.180 178.429 176.300 -0.085 0.000 1.066 582 M CA 1.045 56.262 55.300 -0.139 0.000 1.107 582 M CB -1.203 31.206 32.600 -0.317 0.000 1.356 582 M HN 0.217 nan 8.290 nan 0.000 0.406 583 L N 0.753 121.935 121.223 -0.068 0.000 1.976 583 L HA -0.180 4.160 4.340 0.000 0.000 0.209 583 L C 2.634 179.458 176.870 -0.077 0.000 1.071 583 L CA 2.780 57.543 54.840 -0.128 0.000 0.746 583 L CB -1.369 40.591 42.059 -0.166 0.000 0.890 583 L HN 0.539 nan 8.230 nan 0.000 0.432 584 T N -2.823 111.720 114.554 -0.018 0.000 2.720 584 T HA -0.206 4.144 4.350 0.000 0.000 0.268 584 T C 1.984 176.677 174.700 -0.012 0.000 1.037 584 T CA 1.839 63.936 62.100 -0.005 0.000 1.144 584 T CB -1.248 67.634 68.868 0.023 0.000 0.864 584 T HN 0.580 nan 8.240 nan 0.000 0.444 585 S N 0.512 116.208 115.700 -0.008 0.000 2.453 585 S HA 0.041 4.511 4.470 0.000 0.000 0.231 585 S C 1.988 176.580 174.600 -0.014 0.000 1.005 585 S CA 0.661 58.859 58.200 -0.004 0.000 0.949 585 S CB -0.618 62.587 63.200 0.008 0.000 0.774 585 S HN 0.393 nan 8.310 nan 0.000 0.510 586 V N 1.306 121.201 119.914 -0.032 0.000 2.575 586 V HA 0.255 4.375 4.120 0.000 0.000 0.242 586 V C 1.655 177.724 176.094 -0.042 0.000 1.045 586 V CA 0.895 63.174 62.300 -0.036 0.000 1.065 586 V CB -0.377 31.417 31.823 -0.049 0.000 0.717 586 V HN 0.488 nan 8.190 nan 0.000 0.467 587 L N 1.462 122.650 121.223 -0.060 0.000 2.805 587 L HA 0.202 4.542 4.340 0.000 0.000 0.237 587 L C 0.623 177.468 176.870 -0.040 0.000 1.252 587 L CA -0.205 54.599 54.840 -0.061 0.000 1.064 587 L CB -0.405 41.597 42.059 -0.095 0.000 1.361 587 L HN 0.165 nan 8.230 nan 0.000 0.474 588 K N 0.827 121.211 120.400 -0.027 0.000 2.237 588 K HA 0.176 4.496 4.320 0.000 0.000 0.283 588 K C 0.435 177.028 176.600 -0.013 0.000 1.080 588 K CA 0.707 56.985 56.287 -0.015 0.000 0.965 588 K CB 0.563 33.058 32.500 -0.008 0.000 1.098 588 K HN 0.155 nan 8.250 nan 0.000 0.434 589 S N 2.613 118.305 115.700 -0.013 0.000 7.169 589 S HA -0.099 4.371 4.470 0.000 0.000 0.050 589 S C -0.863 173.729 174.600 -0.013 0.000 1.446 589 S CA 0.091 58.285 58.200 -0.010 0.000 1.095 589 S CB -0.969 62.225 63.200 -0.010 0.000 1.210 589 S HN 0.635 nan 8.310 nan 0.000 0.535 594 S N 1.710 117.413 115.700 0.006 0.000 2.404 594 S HA -0.199 4.271 4.470 0.000 0.000 0.230 594 S C 2.169 176.778 174.600 0.015 0.000 1.046 594 S CA 2.375 60.580 58.200 0.009 0.000 1.135 594 S CB -1.209 61.997 63.200 0.009 0.000 1.056 594 S HN 0.676 nan 8.310 nan 0.000 0.426 595 V N 2.558 122.485 119.914 0.021 0.000 2.332 595 V HA -0.182 3.938 4.120 0.000 0.000 0.248 595 V C 2.290 178.410 176.094 0.044 0.000 1.055 595 V CA 1.375 63.696 62.300 0.035 0.000 1.038 595 V CB -1.022 30.831 31.823 0.050 0.000 0.651 595 V HN 0.372 nan 8.190 nan 0.000 0.450 596 I N 0.431 121.024 120.570 0.038 0.000 2.113 596 I HA -0.317 3.853 4.170 0.000 0.000 0.242 596 I C 2.513 178.654 176.117 0.039 0.000 1.064 596 I CA 2.234 63.560 61.300 0.044 0.000 1.320 596 I CB -1.144 36.867 38.000 0.017 0.000 1.028 596 I HN 0.441 nan 8.210 nan 0.000 0.406 597 K N 1.058 121.472 120.400 0.022 0.000 2.026 597 K HA -0.198 4.122 4.320 0.000 0.000 0.208 597 K C 1.966 178.571 176.600 0.009 0.000 1.048 597 K CA 1.601 57.897 56.287 0.015 0.000 0.929 597 K CB 0.020 32.525 32.500 0.008 0.000 0.713 597 K HN 0.410 nan 8.250 nan 0.000 0.439 598 E N 0.891 121.095 120.200 0.006 0.000 2.023 598 E HA -0.210 4.140 4.350 0.000 0.000 0.196 598 E C 1.934 178.519 176.600 -0.026 0.000 1.003 598 E CA 1.451 57.846 56.400 -0.008 0.000 0.809 598 E CB -0.277 29.419 29.700 -0.006 0.000 0.755 598 E HN 0.331 nan 8.360 nan 0.000 0.449 599 L N 1.310 122.522 121.223 -0.019 0.000 2.610 599 L HA 0.065 4.405 4.340 0.000 0.000 0.232 599 L C 2.196 179.049 176.870 -0.028 0.000 1.149 599 L CA 0.099 54.894 54.840 -0.074 0.000 0.872 599 L CB -0.821 41.223 42.059 -0.025 0.000 0.992 599 L HN 0.204 nan 8.230 nan 0.000 0.447 600 G N 0.803 109.610 108.800 0.011 0.000 2.777 600 G HA2 -0.268 3.692 3.960 0.000 0.000 0.217 600 G HA3 -0.268 3.692 3.960 0.000 0.000 0.217 600 G C 0.487 175.400 174.900 0.023 0.000 1.295 600 G CA 1.133 46.252 45.100 0.031 0.000 0.800 600 G HN 0.550 nan 8.290 nan 0.000 0.637 607 A N -0.453 122.213 122.820 -0.255 0.000 2.564 607 A HA 0.700 5.020 4.320 0.000 0.000 0.291 607 A C -1.750 175.770 177.584 -0.108 0.000 1.102 607 A CA -0.545 51.431 52.037 -0.103 0.000 0.660 607 A CB 1.143 20.186 19.000 0.072 0.000 1.283 607 A HN 0.054 nan 8.150 nan 0.000 0.430 608 N N 0.371 119.050 118.700 -0.035 0.000 2.477 608 N HA 0.534 5.274 4.740 0.000 0.000 0.284 608 N C -0.727 174.791 175.510 0.013 0.000 1.182 608 N CA -0.285 52.749 53.050 -0.026 0.000 0.949 608 N CB 1.220 39.697 38.487 -0.017 0.000 1.204 608 N HN 0.767 nan 8.380 nan 0.000 0.526 609 Q N -0.887 118.920 119.800 0.013 0.000 2.226 609 Q HA 0.651 4.991 4.340 0.000 0.000 0.256 609 Q C 0.397 176.412 176.000 0.026 0.000 0.962 609 Q CA -1.209 54.617 55.803 0.037 0.000 0.887 609 Q CB 0.752 29.512 28.738 0.037 0.000 1.282 609 Q HN 0.529 nan 8.270 nan 0.000 0.449 610 G N 1.976 110.795 108.800 0.031 0.000 2.474 610 G HA2 0.180 4.140 3.960 0.000 0.000 0.233 610 G HA3 0.180 4.140 3.960 0.000 0.000 0.233 610 G C -0.208 174.703 174.900 0.018 0.000 1.278 610 G CA -0.646 44.467 45.100 0.022 0.000 0.861 610 G HN 0.558 nan 8.290 nan 0.000 0.567 611 L N 0.945 122.176 121.223 0.013 0.000 2.456 611 L HA 0.404 4.744 4.340 0.000 0.000 0.272 611 L C 0.996 177.875 176.870 0.015 0.000 1.189 611 L CA -0.392 54.455 54.840 0.011 0.000 0.846 611 L CB 0.499 42.562 42.059 0.008 0.000 1.111 611 L HN 0.593 nan 8.230 nan 0.000 0.475 612 A N 2.307 125.136 122.820 0.015 0.000 2.306 612 A HA 0.553 4.873 4.320 0.000 0.000 0.330 612 A C 0.690 178.283 177.584 0.015 0.000 1.146 612 A CA -0.663 51.384 52.037 0.018 0.000 0.827 612 A CB 1.366 20.378 19.000 0.019 0.000 1.178 612 A HN 0.795 nan 8.150 nan 0.000 0.490 613 R N 0.774 121.285 120.500 0.017 0.000 2.100 613 R HA 0.183 4.523 4.340 0.000 0.000 0.220 613 R C -0.297 176.012 176.300 0.014 0.000 1.091 613 R CA 1.410 57.519 56.100 0.015 0.000 0.986 613 R CB -0.420 29.890 30.300 0.017 0.000 0.888 613 R HN 0.608 nan 8.270 nan 0.000 0.444 614 L N 3.110 124.342 121.223 0.016 0.000 2.325 614 L HA 0.505 4.845 4.340 0.000 0.000 0.281 614 L C -2.158 174.721 176.870 0.014 0.000 1.004 614 L CA -2.574 52.275 54.840 0.014 0.000 0.823 614 L CB 2.099 44.168 42.059 0.016 0.000 1.236 614 L HN 0.108 nan 8.230 nan 0.000 0.415 615 P HA 0.056 nan 4.420 nan 0.000 0.264 615 P C 0.709 178.016 177.300 0.012 0.000 1.193 615 P CA 0.843 63.949 63.100 0.011 0.000 0.763 615 P CB 1.335 33.040 31.700 0.008 0.000 0.810 616 G N 2.140 110.948 108.800 0.013 0.000 2.399 616 G HA2 -0.196 3.764 3.960 0.000 0.000 0.216 616 G HA3 -0.196 3.764 3.960 0.000 0.000 0.216 616 G C -0.083 174.828 174.900 0.018 0.000 1.096 616 G CA -0.335 44.773 45.100 0.014 0.000 0.650 616 G HN 0.464 nan 8.290 nan 0.000 0.512 617 L N 1.775 123.010 121.223 0.020 0.000 2.454 617 L HA 0.606 4.946 4.340 0.000 0.000 0.256 617 L C 1.761 178.648 176.870 0.029 0.000 1.136 617 L CA -0.738 54.117 54.840 0.025 0.000 0.804 617 L CB 0.079 42.154 42.059 0.026 0.000 1.181 617 L HN 0.288 nan 8.230 nan 0.000 0.469 618 L N 0.827 122.072 121.223 0.036 0.000 2.473 618 L HA 0.008 4.348 4.340 0.000 0.000 0.280 618 L C 0.959 177.853 176.870 0.040 0.000 1.266 618 L CA -0.113 54.753 54.840 0.042 0.000 0.824 618 L CB 0.045 42.136 42.059 0.054 0.000 1.091 618 L HN 0.794 nan 8.230 nan 0.000 0.534 619 A N 1.224 124.070 122.820 0.043 0.000 2.483 619 A HA 0.199 4.519 4.320 0.000 0.000 0.238 619 A C 0.923 178.531 177.584 0.039 0.000 1.070 619 A CA 0.027 52.087 52.037 0.038 0.000 0.770 619 A CB 0.367 19.391 19.000 0.040 0.000 1.008 619 A HN 0.776 nan 8.150 nan 0.000 0.497 620 S N 0.010 115.728 115.700 0.031 0.000 2.502 620 S HA 0.254 4.724 4.470 0.000 0.000 0.215 620 S C 0.536 175.151 174.600 0.025 0.000 1.009 620 S CA 0.616 58.834 58.200 0.030 0.000 0.908 620 S CB -0.358 62.857 63.200 0.025 0.000 0.801 620 S HN 0.761 nan 8.310 nan 0.000 0.505 621 I N -1.488 119.094 120.570 0.021 0.000 2.865 621 I HA 0.606 4.776 4.170 0.000 0.000 0.302 621 I C -3.400 172.725 176.117 0.012 0.000 1.140 621 I CA -3.121 58.187 61.300 0.013 0.000 1.021 621 I CB 1.749 39.754 38.000 0.008 0.000 1.233 621 I HN -0.311 nan 8.210 nan 0.000 0.427 622 P HA 0.128 nan 4.420 nan 0.000 0.267 622 P C 0.145 177.448 177.300 0.004 0.000 1.200 622 P CA 0.183 63.282 63.100 -0.001 0.000 0.772 622 P CB 0.501 32.186 31.700 -0.025 0.000 0.855 623 G N 2.021 110.830 108.800 0.015 0.000 2.606 623 G HA2 0.324 4.284 3.960 0.000 0.000 0.252 623 G HA3 0.324 4.284 3.960 0.000 0.000 0.252 623 G C -0.540 174.365 174.900 0.007 0.000 1.206 623 G CA -0.410 44.703 45.100 0.021 0.000 0.861 623 G HN 0.378 nan 8.290 nan 0.000 0.561 624 K N -0.624 119.779 120.400 0.004 0.000 2.395 624 K HA 0.484 4.804 4.320 0.000 0.000 0.245 624 K C -0.648 175.949 176.600 -0.005 0.000 1.017 624 K CA -0.841 55.441 56.287 -0.007 0.000 0.852 624 K CB 2.516 35.009 32.500 -0.012 0.000 1.311 624 K HN 0.303 nan 8.250 nan 0.000 0.452 625 I N 1.939 122.499 120.570 -0.016 0.000 2.365 625 I HA 0.149 4.319 4.170 0.000 0.000 0.291 625 I C 0.219 176.321 176.117 -0.025 0.000 1.004 625 I CA -0.430 60.858 61.300 -0.020 0.000 1.311 625 I CB 1.515 39.496 38.000 -0.032 0.000 1.401 625 I HN 0.686 nan 8.210 nan 0.000 0.491 626 A N 5.027 127.830 122.820 -0.028 0.000 2.567 626 A HA 0.209 4.529 4.320 0.000 0.000 0.240 626 A C 1.408 178.976 177.584 -0.027 0.000 1.053 626 A CA 0.542 52.563 52.037 -0.028 0.000 0.755 626 A CB 0.252 19.233 19.000 -0.032 0.000 0.978 626 A HN 0.997 nan 8.150 nan 0.000 0.507 627 A N 2.649 125.456 122.820 -0.022 0.000 1.948 627 A HA -0.204 4.116 4.320 0.000 0.000 0.220 627 A C 2.197 179.768 177.584 -0.022 0.000 1.177 627 A CA 1.912 53.937 52.037 -0.020 0.000 0.636 627 A CB -0.460 18.531 19.000 -0.016 0.000 0.815 627 A HN 0.980 nan 8.150 nan 0.000 0.449 628 R N -0.294 120.192 120.500 -0.022 0.000 2.083 628 R HA -0.133 4.207 4.340 0.000 0.000 0.237 628 R C 1.915 178.199 176.300 -0.026 0.000 1.137 628 R CA 2.019 58.106 56.100 -0.022 0.000 0.951 628 R CB -0.532 29.755 30.300 -0.022 0.000 0.851 628 R HN 0.307 nan 8.270 nan 0.000 0.434 629 V N 0.949 120.844 119.914 -0.031 0.000 2.287 629 V HA -0.257 3.863 4.120 0.000 0.000 0.248 629 V C 2.578 178.648 176.094 -0.039 0.000 1.053 629 V CA 2.188 64.466 62.300 -0.037 0.000 1.027 629 V CB -0.624 31.173 31.823 -0.043 0.000 0.646 629 V HN 0.398 nan 8.190 nan 0.000 0.447 630 R N -0.426 120.051 120.500 -0.038 0.000 2.075 630 R HA -0.109 4.231 4.340 0.000 0.000 0.232 630 R C 2.423 178.705 176.300 -0.029 0.000 1.126 630 R CA 1.413 57.490 56.100 -0.039 0.000 0.963 630 R CB -0.488 29.790 30.300 -0.036 0.000 0.858 630 R HN 0.542 nan 8.270 nan 0.000 0.435 631 A N 1.072 123.878 122.820 -0.023 0.000 1.883 631 A HA -0.230 4.090 4.320 0.000 0.000 0.217 631 A C 2.107 179.681 177.584 -0.017 0.000 1.186 631 A CA 1.607 53.634 52.037 -0.017 0.000 0.624 631 A CB -0.571 18.420 19.000 -0.015 0.000 0.822 631 A HN 0.322 nan 8.150 nan 0.000 0.444 632 R N -0.643 119.844 120.500 -0.020 0.000 2.073 632 R HA -0.151 4.189 4.340 0.000 0.000 0.234 632 R C 2.397 178.684 176.300 -0.020 0.000 1.134 632 R CA 1.791 57.879 56.100 -0.019 0.000 0.952 632 R CB -0.321 29.966 30.300 -0.021 0.000 0.850 632 R HN 0.485 nan 8.270 nan 0.000 0.433 633 R N 0.126 120.609 120.500 -0.028 0.000 2.096 633 R HA -0.126 4.214 4.340 0.000 0.000 0.235 633 R C 1.586 177.874 176.300 -0.021 0.000 1.127 633 R CA 2.013 58.094 56.100 -0.031 0.000 0.968 633 R CB -0.059 30.211 30.300 -0.050 0.000 0.861 633 R HN 0.344 nan 8.270 nan 0.000 0.440 634 D N -0.508 119.881 120.400 -0.018 0.000 2.149 634 D HA -0.144 4.496 4.640 0.000 0.000 0.201 634 D C 1.792 178.089 176.300 -0.005 0.000 0.972 634 D CA 0.817 54.812 54.000 -0.009 0.000 0.835 634 D CB -0.133 40.663 40.800 -0.007 0.000 0.966 634 D HN 0.207 nan 8.370 nan 0.000 0.476 635 R N 0.948 121.444 120.500 -0.007 0.000 2.105 635 R HA -0.102 4.238 4.340 0.000 0.000 0.239 635 R C 2.227 178.526 176.300 -0.003 0.000 1.135 635 R CA 1.123 57.220 56.100 -0.005 0.000 0.967 635 R CB 0.140 30.436 30.300 -0.007 0.000 0.861 635 R HN 0.098 nan 8.270 nan 0.000 0.442 636 R N -0.209 120.288 120.500 -0.005 0.000 2.073 636 R HA -0.096 4.244 4.340 0.000 0.000 0.234 636 R C 2.461 178.762 176.300 0.002 0.000 1.134 636 R CA 1.731 57.830 56.100 -0.002 0.000 0.952 636 R CB -0.283 30.014 30.300 -0.004 0.000 0.850 636 R HN 0.247 nan 8.270 nan 0.000 0.433 637 R N 0.509 121.011 120.500 0.003 0.000 2.091 637 R HA -0.099 4.241 4.340 0.000 0.000 0.238 637 R C 2.396 178.701 176.300 0.008 0.000 1.136 637 R CA 1.441 57.546 56.100 0.008 0.000 0.959 637 R CB -0.450 29.857 30.300 0.012 0.000 0.856 637 R HN 0.224 nan 8.270 nan 0.000 0.437 638 A N 1.384 124.207 122.820 0.006 0.000 1.883 638 A HA -0.163 4.157 4.320 0.000 0.000 0.217 638 A C 2.415 180.002 177.584 0.004 0.000 1.186 638 A CA 1.803 53.844 52.037 0.006 0.000 0.624 638 A CB -0.837 18.165 19.000 0.004 0.000 0.822 638 A HN 0.408 nan 8.150 nan 0.000 0.444 639 A N -0.377 122.445 122.820 0.003 0.000 1.883 639 A HA -0.199 4.121 4.320 0.000 0.000 0.217 639 A C 2.115 179.701 177.584 0.003 0.000 1.186 639 A CA 1.603 53.641 52.037 0.002 0.000 0.624 639 A CB -0.519 18.482 19.000 0.001 0.000 0.822 639 A HN 0.482 nan 8.150 nan 0.000 0.444 640 R N -1.054 119.448 120.500 0.005 0.000 2.500 640 R HA 0.057 4.397 4.340 0.000 0.000 0.212 640 R C -0.232 176.071 176.300 0.005 0.000 1.330 640 R CA 0.410 56.513 56.100 0.005 0.000 1.262 640 R CB -0.851 29.454 30.300 0.008 0.000 0.998 640 R HN 0.421 nan 8.270 nan 0.000 0.484 641 M N 0.000 119.602 119.600 0.004 0.000 2.572 641 M HA 0.000 4.480 4.480 0.000 0.000 0.227 641 M CA 0.000 55.302 55.300 0.003 0.000 0.988 641 M CB 0.000 32.601 32.600 0.001 0.000 1.302 641 M HN 0.000 nan 8.290 nan 0.000 0.411