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 3cia_1_A DATA FIRST_RESID 38 DATA SEQUENCE LTDAYTYANY DQVKATHVYL DLNVDFDKKS LSGFAELSLD WFTDNKAPLI DATA SEQUENCE LDTRDLVIHR VMAKNSQGQW VKVNYDLAKR DDVLGSKLTI NTPLNAKKVR DATA SEQUENCE VYYNSTEKAT GLQWLSAEQT AGKEKPFLFS QNQAIHARSW IPIQDTPSVR DATA SEQUENCE VTYTARITTD KDLLAVMSAN NEXXXXRDGD YFFSMPQAIP PYLIAIGVGD DATA SEQUENCE LEFKAMSHQT GIYAESYILD AAVAEFDDTQ AMIDKAEQMY GKYRWGRYDL DATA SEQUENCE LMLPPSFPFG GMENPRLSFI TPTVVAGDKS LVNLIAHELA HSWSGNLVTN DATA SEQUENCE ESWRDLWLNE GFTSYVENRI MEAVFGTDRA VMEQALGAQD LNAEILELDA DATA SEQUENCE SDTQLYIDLK GRDPDDAFSG VPYVKGQLFL MYLEEKFGRE RFDAFVLEYF DATA SEQUENCE DSHAFQSLGT DNFVKYLKAN LTDKYPNIVS DNEINEWIFK AGLPSYAPQP DATA SEQUENCE TSNAFKVIDK QINQLVTDEL TLEQLPTAQW TLHEWLHFIN NLPVDLDHQX DATA SEQUENCE MVNLDKAFDL TNSSNAEIAH AWYLLSVRAD YKEVYPAMAK YLKSIGRRKL DATA SEQUENCE IVPLYKELAK NAESKAWAVE VYKQARPGYH GLAQGTVDGV LK 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 38 L HA 0.000 nan 4.340 nan 0.000 0.249 38 L C 0.000 176.876 176.870 0.010 0.000 1.165 38 L CA 0.000 54.731 54.840 -0.182 0.000 0.813 38 L CB 0.000 41.922 42.059 -0.229 0.000 0.961 39 T N -1.925 112.680 114.554 0.085 0.000 4.104 39 T HA 0.536 4.886 4.350 -0.000 0.000 0.285 39 T C -0.113 174.655 174.700 0.113 0.000 1.346 39 T CA -0.079 62.080 62.100 0.099 0.000 1.158 39 T CB 0.088 69.017 68.868 0.101 0.000 1.290 39 T HN 0.244 nan 8.240 nan 0.000 0.975 40 D N 0.717 121.191 120.400 0.124 0.000 2.885 40 D HA 0.228 4.868 4.640 -0.000 0.000 0.146 40 D C 0.354 176.758 176.300 0.174 0.000 1.085 40 D CA -0.288 53.799 54.000 0.145 0.000 1.587 40 D CB -0.394 40.500 40.800 0.157 0.000 1.317 40 D HN 0.504 nan 8.370 nan 0.000 0.759 41 A N 1.441 124.377 122.820 0.194 0.000 2.290 41 A HA 0.245 4.564 4.320 -0.000 0.000 0.308 41 A C 0.815 178.565 177.584 0.277 0.000 1.246 41 A CA 1.252 53.403 52.037 0.190 0.000 0.929 41 A CB -0.298 18.816 19.000 0.190 0.000 1.125 41 A HN 0.942 nan 8.150 nan 0.000 0.522 42 Y N -2.874 117.403 120.300 -0.038 0.000 4.885 42 Y HA -0.214 4.336 4.550 -0.000 0.000 0.251 42 Y C 1.028 176.851 175.900 -0.128 0.000 0.969 42 Y CA 1.789 59.849 58.100 -0.067 0.000 1.930 42 Y CB -1.815 36.695 38.460 0.083 0.000 1.403 42 Y HN 0.924 nan 8.280 nan 0.000 0.507 43 T N -1.005 113.570 114.554 0.034 0.000 2.812 43 T HA 0.502 4.851 4.350 -0.000 0.000 0.282 43 T C 0.277 174.995 174.700 0.029 0.000 0.990 43 T CA -0.469 61.652 62.100 0.034 0.000 0.960 43 T CB 0.584 69.541 68.868 0.148 0.000 0.948 43 T HN 0.099 nan 8.240 nan 0.000 0.438 44 Y N 3.019 123.373 120.300 0.090 0.000 2.544 44 Y HA 0.415 4.965 4.550 -0.000 0.000 0.286 44 Y C 1.881 177.826 175.900 0.075 0.000 1.141 44 Y CA -0.095 58.044 58.100 0.066 0.000 1.299 44 Y CB -0.432 38.057 38.460 0.048 0.000 1.030 44 Y HN 0.815 nan 8.280 nan 0.000 0.543 45 A N 2.193 125.161 122.820 0.247 0.000 2.545 45 A HA -0.015 4.305 4.320 -0.000 0.000 0.253 45 A C 0.542 178.244 177.584 0.196 0.000 1.074 45 A CA -0.122 52.036 52.037 0.202 0.000 0.760 45 A CB -0.462 18.645 19.000 0.178 0.000 1.005 45 A HN 0.483 nan 8.150 nan 0.000 0.506 46 N N 3.322 122.092 118.700 0.117 0.000 3.303 46 N HA -0.007 4.733 4.740 -0.000 0.000 0.304 46 N C 0.138 175.655 175.510 0.012 0.000 1.302 46 N CA -0.149 52.921 53.050 0.033 0.000 1.213 46 N CB -0.500 38.019 38.487 0.053 0.000 1.481 46 N HN 0.786 nan 8.380 nan 0.000 0.546 47 Y N -1.658 118.638 120.300 -0.006 0.000 2.688 47 Y HA 0.056 4.606 4.550 -0.000 0.000 0.311 47 Y C 1.392 177.254 175.900 -0.064 0.000 1.185 47 Y CA -0.287 57.793 58.100 -0.033 0.000 1.336 47 Y CB -0.230 38.203 38.460 -0.044 0.000 1.015 47 Y HN 0.146 nan 8.280 nan 0.000 0.522 48 D N 1.127 121.399 120.400 -0.213 0.000 2.097 48 D HA -0.206 4.434 4.640 -0.000 0.000 0.197 48 D C 1.918 178.198 176.300 -0.033 0.000 0.984 48 D CA 2.187 56.079 54.000 -0.179 0.000 0.826 48 D CB 0.037 40.752 40.800 -0.142 0.000 0.973 48 D HN 0.739 nan 8.370 nan 0.000 0.460 49 Q N -0.963 118.902 119.800 0.108 0.000 2.322 49 Q HA 0.223 4.563 4.340 -0.000 0.000 0.250 49 Q C 0.165 176.397 176.000 0.386 0.000 0.853 49 Q CA -0.100 55.887 55.803 0.306 0.000 0.951 49 Q CB 1.245 30.147 28.738 0.274 0.000 1.114 49 Q HN 0.106 nan 8.270 nan 0.000 0.523 50 V N 1.100 121.056 119.914 0.071 0.000 2.735 50 V HA 0.534 4.654 4.120 -0.000 0.000 0.310 50 V C -1.702 174.380 176.094 -0.021 0.000 1.061 50 V CA -0.617 61.473 62.300 -0.350 0.000 0.913 50 V CB 2.134 33.308 31.823 -1.081 0.000 1.005 50 V HN 0.160 nan 8.190 nan 0.000 0.428 51 K N 4.751 125.133 120.400 -0.031 0.000 2.601 51 K HA 0.698 5.018 4.320 -0.000 0.000 0.249 51 K C -0.587 175.977 176.600 -0.061 0.000 0.966 51 K CA -0.405 55.923 56.287 0.069 0.000 0.827 51 K CB 1.959 34.657 32.500 0.330 0.000 1.178 51 K HN 0.889 nan 8.250 nan 0.000 0.437 52 A N 1.549 124.330 122.820 -0.066 0.000 2.488 52 A HA 0.122 4.441 4.320 -0.000 0.000 0.249 52 A C 1.085 178.666 177.584 -0.006 0.000 1.083 52 A CA 0.298 52.306 52.037 -0.047 0.000 0.768 52 A CB 0.052 19.025 19.000 -0.046 0.000 1.017 52 A HN 0.842 nan 8.150 nan 0.000 0.496 53 T N -0.605 113.965 114.554 0.027 0.000 3.001 53 T HA 0.298 4.648 4.350 -0.000 0.000 0.251 53 T C 0.385 175.165 174.700 0.133 0.000 1.040 53 T CA 0.841 62.975 62.100 0.058 0.000 0.985 53 T CB -0.280 68.617 68.868 0.047 0.000 1.011 53 T HN 0.891 nan 8.240 nan 0.000 0.509 54 H N -0.740 118.346 119.070 0.027 0.000 3.017 54 H HA 0.684 5.240 4.556 -0.000 0.000 0.346 54 H C -2.151 173.223 175.328 0.077 0.000 1.286 54 H CA -0.722 55.362 56.048 0.061 0.000 1.120 54 H CB 2.256 32.066 29.762 0.080 0.000 1.860 54 H HN 0.020 nan 8.280 nan 0.000 0.542 55 V N 3.516 123.063 119.914 -0.611 0.000 2.532 55 V HA 0.157 4.276 4.120 -0.000 0.000 0.294 55 V C -1.392 174.516 176.094 -0.309 0.000 1.036 55 V CA -0.711 61.409 62.300 -0.299 0.000 0.876 55 V CB 1.165 32.849 31.823 -0.232 0.000 1.012 55 V HN 0.735 nan 8.190 nan 0.000 0.432 56 Y N 6.101 126.337 120.300 -0.108 0.000 2.341 56 Y HA 0.663 5.213 4.550 -0.000 0.000 0.340 56 Y C -0.837 175.016 175.900 -0.077 0.000 0.997 56 Y CA -0.734 57.360 58.100 -0.011 0.000 1.149 56 Y CB 1.021 39.594 38.460 0.188 0.000 1.171 56 Y HN 0.433 nan 8.280 nan 0.000 0.494 57 L N 6.751 127.537 121.223 -0.729 0.000 2.287 57 L HA 0.252 4.592 4.340 -0.000 0.000 0.287 57 L C -0.408 175.859 176.870 -1.004 0.000 1.022 57 L CA -0.324 54.119 54.840 -0.660 0.000 0.814 57 L CB 1.461 43.318 42.059 -0.337 0.000 1.217 57 L HN 0.743 nan 8.230 nan 0.000 0.420 58 D N 4.443 124.197 120.400 -1.077 0.000 2.518 58 D HA 0.260 4.900 4.640 -0.000 0.000 0.230 58 D C -0.778 175.271 176.300 -0.419 0.000 1.138 58 D CA -0.326 53.171 54.000 -0.839 0.000 0.964 58 D CB 0.757 40.894 40.800 -1.104 0.000 1.011 58 D HN 0.143 nan 8.370 nan 0.000 0.517 59 L N 2.075 123.156 121.223 -0.236 0.000 2.333 59 L HA 0.443 4.783 4.340 -0.000 0.000 0.269 59 L C 0.271 177.113 176.870 -0.046 0.000 1.010 59 L CA -0.860 53.906 54.840 -0.124 0.000 0.818 59 L CB 1.505 43.529 42.059 -0.059 0.000 1.306 59 L HN 0.213 nan 8.230 nan 0.000 0.430 60 N N 0.014 118.697 118.700 -0.028 0.000 2.372 60 N HA 0.424 5.164 4.740 -0.000 0.000 0.285 60 N C -1.150 174.358 175.510 -0.005 0.000 1.008 60 N CA -0.428 52.622 53.050 0.000 0.000 0.880 60 N CB 1.750 40.240 38.487 0.006 0.000 1.239 60 N HN 0.267 nan 8.380 nan 0.000 0.484 61 V N 3.172 123.079 119.914 -0.011 0.000 2.338 61 V HA 0.160 4.280 4.120 -0.000 0.000 0.255 61 V C 0.007 176.048 176.094 -0.088 0.000 1.082 61 V CA -0.510 61.748 62.300 -0.070 0.000 0.951 61 V CB 0.135 31.852 31.823 -0.177 0.000 1.102 61 V HN 0.665 nan 8.190 nan 0.000 0.489 62 D N 3.755 124.115 120.400 -0.068 0.000 2.396 62 D HA 0.218 4.858 4.640 -0.000 0.000 0.225 62 D C 0.500 176.695 176.300 -0.175 0.000 1.121 62 D CA -0.386 53.565 54.000 -0.082 0.000 0.853 62 D CB 1.051 41.800 40.800 -0.085 0.000 1.043 62 D HN 0.353 nan 8.370 nan 0.000 0.500 63 F N 1.672 121.678 119.950 0.092 0.000 2.661 63 F HA -0.005 4.522 4.527 -0.000 0.000 0.298 63 F C 1.862 177.620 175.800 -0.070 0.000 1.137 63 F CA 0.284 58.343 58.000 0.099 0.000 1.454 63 F CB 0.320 39.433 39.000 0.189 0.000 1.103 63 F HN 0.327 nan 8.300 nan 0.000 0.577 64 D N -0.298 120.138 120.400 0.061 0.000 2.216 64 D HA -0.028 4.612 4.640 -0.000 0.000 0.208 64 D C 1.846 178.082 176.300 -0.108 0.000 0.960 64 D CA 0.889 54.887 54.000 -0.004 0.000 0.861 64 D CB -0.019 40.786 40.800 0.008 0.000 0.985 64 D HN 0.226 nan 8.370 nan 0.000 0.493 65 K N 0.676 120.967 120.400 -0.182 0.000 2.374 65 K HA 0.117 4.436 4.320 -0.000 0.000 0.196 65 K C -0.008 176.319 176.600 -0.454 0.000 1.023 65 K CA -0.118 56.026 56.287 -0.239 0.000 1.103 65 K CB 0.942 33.342 32.500 -0.166 0.000 0.848 65 K HN 0.001 nan 8.250 nan 0.000 0.528 66 K N 2.050 122.005 120.400 -0.743 0.000 3.419 66 K HA -0.158 4.162 4.320 -0.000 0.000 0.272 66 K C -0.524 175.159 176.600 -1.528 0.000 0.973 66 K CA 0.683 55.932 56.287 -1.731 0.000 0.749 66 K CB -1.712 29.953 32.500 -1.391 0.000 1.403 66 K HN 0.441 nan 8.250 nan 0.000 0.456 67 S N -0.346 114.822 115.700 -0.886 0.000 2.537 67 S HA 0.677 5.147 4.470 -0.000 0.000 0.270 67 S C -0.679 173.927 174.600 0.009 0.000 1.142 67 S CA -1.252 56.793 58.200 -0.258 0.000 0.870 67 S CB 1.685 64.780 63.200 -0.174 0.000 1.112 67 S HN 0.217 nan 8.310 nan 0.000 0.466 68 L N 3.142 124.444 121.223 0.133 0.000 2.282 68 L HA 0.723 5.063 4.340 -0.000 0.000 0.288 68 L C -0.203 176.655 176.870 -0.020 0.000 1.033 68 L CA -0.588 54.302 54.840 0.083 0.000 0.807 68 L CB 1.725 43.867 42.059 0.138 0.000 1.209 68 L HN 0.932 nan 8.230 nan 0.000 0.423 69 S N 1.179 116.840 115.700 -0.066 0.000 2.575 69 S HA 0.944 5.413 4.470 -0.000 0.000 0.278 69 S C -0.204 174.336 174.600 -0.100 0.000 1.139 69 S CA -0.066 58.067 58.200 -0.110 0.000 0.954 69 S CB 2.469 65.663 63.200 -0.010 0.000 1.054 69 S HN 0.942 nan 8.310 nan 0.000 0.483 70 G N 1.742 110.455 108.800 -0.146 0.000 2.528 70 G HA2 0.478 4.438 3.960 -0.000 0.000 0.078 70 G HA3 0.478 4.438 3.960 -0.000 0.000 0.078 70 G C -1.323 173.636 174.900 0.099 0.000 1.008 70 G CA 0.101 45.195 45.100 -0.009 0.000 1.309 70 G HN 1.718 nan 8.290 nan 0.000 0.564 71 F N -0.639 119.256 119.950 -0.092 0.000 2.725 71 F HA 0.864 5.391 4.527 -0.000 0.000 0.309 71 F C -0.743 175.093 175.800 0.059 0.000 1.132 71 F CA -1.148 56.829 58.000 -0.039 0.000 0.957 71 F CB 1.229 39.976 39.000 -0.420 0.000 1.286 71 F HN 1.162 nan 8.300 nan 0.000 0.440 72 A N 1.907 124.943 122.820 0.361 0.000 2.287 72 A HA 0.634 4.954 4.320 -0.000 0.000 0.317 72 A C -0.936 176.807 177.584 0.264 0.000 1.220 72 A CA -0.509 51.633 52.037 0.176 0.000 0.835 72 A CB 1.002 20.033 19.000 0.052 0.000 1.180 72 A HN 0.867 nan 8.150 nan 0.000 0.500 73 E N 3.863 124.248 120.200 0.309 0.000 2.173 73 E HA 0.376 4.726 4.350 -0.000 0.000 0.249 73 E C -0.858 175.903 176.600 0.269 0.000 0.923 73 E CA -0.552 56.065 56.400 0.363 0.000 0.754 73 E CB 0.389 30.412 29.700 0.537 0.000 1.177 73 E HN 0.592 nan 8.360 nan 0.000 0.430 74 L N 2.510 123.848 121.223 0.191 0.000 2.397 74 L HA 0.274 4.613 4.340 -0.000 0.000 0.271 74 L C 0.191 177.168 176.870 0.178 0.000 1.148 74 L CA 0.076 54.994 54.840 0.129 0.000 0.825 74 L CB 1.128 43.228 42.059 0.069 0.000 1.117 74 L HN 0.482 nan 8.230 nan 0.000 0.456 75 S N 4.225 120.019 115.700 0.156 0.000 2.449 75 S HA 0.716 5.185 4.470 -0.000 0.000 0.310 75 S C -0.098 174.543 174.600 0.068 0.000 1.096 75 S CA -0.628 57.657 58.200 0.142 0.000 1.095 75 S CB 1.698 65.005 63.200 0.179 0.000 1.007 75 S HN 0.349 nan 8.310 nan 0.000 0.474 76 L N 2.018 123.266 121.223 0.043 0.000 2.322 76 L HA 0.695 5.035 4.340 -0.000 0.000 0.269 76 L C -0.824 175.981 176.870 -0.107 0.000 1.012 76 L CA -0.994 53.795 54.840 -0.085 0.000 0.815 76 L CB 1.301 43.256 42.059 -0.174 0.000 1.295 76 L HN 0.412 nan 8.230 nan 0.000 0.438 77 D N 0.192 120.410 120.400 -0.304 0.000 2.620 77 D HA 0.427 5.066 4.640 -0.000 0.000 0.252 77 D C -1.487 174.333 176.300 -0.799 0.000 1.207 77 D CA -0.068 53.705 54.000 -0.378 0.000 0.884 77 D CB 1.197 41.816 40.800 -0.302 0.000 1.262 77 D HN 0.189 nan 8.370 nan 0.000 0.552 78 W N 2.912 123.869 121.300 -0.573 0.000 2.512 78 W HA 0.413 5.072 4.660 -0.000 0.000 0.335 78 W C 0.404 176.487 176.519 -0.727 0.000 1.088 78 W CA -0.741 56.281 57.345 -0.539 0.000 1.236 78 W CB 0.637 29.971 29.460 -0.209 0.000 1.307 78 W HN 0.440 nan 8.180 nan 0.000 0.567 79 F N -0.497 119.590 119.950 0.228 0.000 2.637 79 F HA 0.096 4.623 4.527 -0.000 0.000 0.284 79 F C 1.406 177.285 175.800 0.132 0.000 1.105 79 F CA -0.217 57.862 58.000 0.132 0.000 1.356 79 F CB -0.515 38.528 39.000 0.072 0.000 1.096 79 F HN 0.040 nan 8.300 nan 0.000 0.616 80 T N -1.044 113.702 114.554 0.322 0.000 2.817 80 T HA 0.155 4.505 4.350 -0.000 0.000 0.293 80 T C 0.559 175.336 174.700 0.129 0.000 0.964 80 T CA -0.570 61.654 62.100 0.207 0.000 1.085 80 T CB 1.332 70.324 68.868 0.205 0.000 0.921 80 T HN 0.093 nan 8.240 nan 0.000 0.502 81 D N 1.826 122.270 120.400 0.074 0.000 2.264 81 D HA -0.066 4.573 4.640 -0.000 0.000 0.208 81 D C 0.857 177.149 176.300 -0.013 0.000 0.966 81 D CA 0.793 54.805 54.000 0.020 0.000 0.864 81 D CB 0.189 40.999 40.800 0.017 0.000 0.933 81 D HN 0.717 nan 8.370 nan 0.000 0.499 82 N N 1.329 120.033 118.700 0.006 0.000 2.508 82 N HA 0.101 4.841 4.740 -0.000 0.000 0.285 82 N C -0.044 175.445 175.510 -0.035 0.000 1.144 82 N CA -0.403 52.638 53.050 -0.015 0.000 0.978 82 N CB 1.687 40.177 38.487 0.006 0.000 1.180 82 N HN -0.192 nan 8.380 nan 0.000 0.484 83 K N 0.123 120.484 120.400 -0.064 0.000 2.527 83 K HA 0.225 4.545 4.320 -0.000 0.000 0.278 83 K C -0.422 176.161 176.600 -0.029 0.000 0.981 83 K CA 0.238 56.464 56.287 -0.101 0.000 1.009 83 K CB 0.413 32.865 32.500 -0.079 0.000 0.895 83 K HN 0.765 nan 8.250 nan 0.000 0.493 84 A N 4.227 127.032 122.820 -0.024 0.000 2.594 84 A HA 0.575 4.895 4.320 -0.000 0.000 0.295 84 A C -2.749 174.963 177.584 0.214 0.000 1.071 84 A CA -1.388 50.737 52.037 0.146 0.000 0.685 84 A CB 1.459 20.645 19.000 0.311 0.000 1.285 84 A HN 0.401 nan 8.150 nan 0.000 0.405 85 P HA 0.403 nan 4.420 nan 0.000 0.278 85 P C -0.812 176.701 177.300 0.356 0.000 1.258 85 P CA -0.550 62.695 63.100 0.242 0.000 0.811 85 P CB 0.650 32.440 31.700 0.148 0.000 1.063 86 L N 2.728 124.138 121.223 0.312 0.000 2.262 86 L HA 0.437 4.777 4.340 -0.000 0.000 0.288 86 L C -0.766 176.184 176.870 0.133 0.000 1.035 86 L CA -0.542 54.427 54.840 0.216 0.000 0.820 86 L CB -0.151 42.041 42.059 0.222 0.000 1.204 86 L HN 0.297 nan 8.230 nan 0.000 0.424 87 I N 6.087 126.716 120.570 0.099 0.000 2.336 87 I HA 0.375 4.544 4.170 -0.000 0.000 0.292 87 I C -0.291 175.873 176.117 0.079 0.000 0.991 87 I CA -0.482 60.871 61.300 0.088 0.000 1.227 87 I CB 1.602 39.662 38.000 0.100 0.000 1.366 87 I HN 0.487 nan 8.210 nan 0.000 0.466 88 L N 4.785 126.048 121.223 0.066 0.000 2.333 88 L HA 0.554 4.894 4.340 -0.000 0.000 0.263 88 L C -0.682 176.242 176.870 0.090 0.000 1.014 88 L CA -1.004 53.864 54.840 0.047 0.000 0.820 88 L CB 2.182 44.233 42.059 -0.013 0.000 1.352 88 L HN 0.474 nan 8.230 nan 0.000 0.421 89 D N 0.335 120.781 120.400 0.076 0.000 2.225 89 D HA 0.507 5.147 4.640 -0.000 0.000 0.249 89 D C -0.512 175.811 176.300 0.040 0.000 1.052 89 D CA 0.141 54.213 54.000 0.121 0.000 0.909 89 D CB 2.474 43.319 40.800 0.076 0.000 1.186 89 D HN 0.389 nan 8.370 nan 0.000 0.431 90 T N 0.190 114.790 114.554 0.076 0.000 2.792 90 T HA 0.378 4.728 4.350 -0.000 0.000 0.303 90 T C 0.224 174.971 174.700 0.079 0.000 1.310 90 T CA -0.492 61.624 62.100 0.028 0.000 1.007 90 T CB 2.821 71.684 68.868 -0.009 0.000 1.335 90 T HN 0.451 nan 8.240 nan 0.000 0.504 91 R N -0.054 120.492 120.500 0.077 0.000 3.815 91 R HA 0.352 4.692 4.340 -0.000 0.000 0.133 91 R C -0.749 175.608 176.300 0.096 0.000 1.740 91 R CA -0.083 56.080 56.100 0.105 0.000 1.270 91 R CB 0.526 30.905 30.300 0.132 0.000 1.340 91 R HN 0.469 nan 8.270 nan 0.000 0.449 92 D N 1.654 122.116 120.400 0.104 0.000 2.943 92 D HA 0.241 4.880 4.640 -0.000 0.000 0.347 92 D C -1.231 175.126 176.300 0.095 0.000 1.305 92 D CA -0.143 53.909 54.000 0.088 0.000 0.870 92 D CB 1.159 42.014 40.800 0.092 0.000 1.081 92 D HN -0.007 nan 8.370 nan 0.000 0.492 93 L N 0.774 122.045 121.223 0.081 0.000 2.309 93 L HA 0.350 4.690 4.340 -0.000 0.000 0.282 93 L C -0.027 176.868 176.870 0.041 0.000 1.036 93 L CA -0.858 54.037 54.840 0.091 0.000 0.806 93 L CB 1.977 44.058 42.059 0.037 0.000 1.220 93 L HN -0.125 nan 8.230 nan 0.000 0.429 94 V N 4.626 124.558 119.914 0.030 0.000 2.394 94 V HA 0.442 4.562 4.120 -0.000 0.000 0.282 94 V C 0.100 176.058 176.094 -0.227 0.000 1.031 94 V CA -0.686 61.574 62.300 -0.066 0.000 0.881 94 V CB 1.397 33.194 31.823 -0.044 0.000 0.982 94 V HN 0.381 nan 8.190 nan 0.000 0.451 95 I N 4.666 125.115 120.570 -0.202 0.000 2.392 95 I HA 0.428 4.598 4.170 -0.000 0.000 0.295 95 I C 0.807 176.813 176.117 -0.185 0.000 0.985 95 I CA -0.212 60.944 61.300 -0.239 0.000 1.221 95 I CB 1.393 39.192 38.000 -0.336 0.000 1.366 95 I HN 0.655 nan 8.210 nan 0.000 0.467 96 H N 5.462 124.637 119.070 0.175 0.000 2.393 96 H HA 0.266 4.822 4.556 -0.000 0.000 0.307 96 H C 0.387 175.825 175.328 0.183 0.000 1.038 96 H CA 0.401 56.544 56.048 0.159 0.000 1.351 96 H CB 0.720 30.561 29.762 0.132 0.000 1.464 96 H HN 0.588 nan 8.280 nan 0.000 0.575 97 R N -0.579 120.119 120.500 0.329 0.000 2.709 97 R HA 0.533 4.873 4.340 -0.000 0.000 0.270 97 R C -2.183 174.330 176.300 0.355 0.000 1.038 97 R CA -0.633 55.656 56.100 0.314 0.000 0.872 97 R CB 1.314 31.701 30.300 0.146 0.000 1.259 97 R HN -0.128 nan 8.270 nan 0.000 0.473 98 V N 2.811 122.927 119.914 0.337 0.000 2.540 98 V HA 0.602 4.722 4.120 -0.000 0.000 0.302 98 V C -0.377 175.892 176.094 0.291 0.000 1.035 98 V CA -0.727 61.750 62.300 0.295 0.000 0.873 98 V CB 1.812 33.792 31.823 0.262 0.000 0.992 98 V HN 0.663 nan 8.190 nan 0.000 0.428 99 M N 3.351 123.142 119.600 0.319 0.000 2.602 99 M HA 0.863 5.343 4.480 -0.000 0.000 0.312 99 M C -0.345 176.225 176.300 0.450 0.000 1.181 99 M CA -0.445 55.085 55.300 0.383 0.000 0.910 99 M CB 2.203 35.086 32.600 0.471 0.000 1.723 99 M HN 0.746 nan 8.290 nan 0.000 0.459 100 A N 1.570 124.596 122.820 0.343 0.000 2.515 100 A HA 0.716 5.036 4.320 -0.000 0.000 0.296 100 A C -1.046 176.445 177.584 -0.156 0.000 1.094 100 A CA -0.820 51.301 52.037 0.141 0.000 0.718 100 A CB 1.677 20.733 19.000 0.092 0.000 1.307 100 A HN 0.779 nan 8.150 nan 0.000 0.408 101 K N 1.945 122.023 120.400 -0.536 0.000 2.263 101 K HA 0.180 4.500 4.320 -0.000 0.000 0.282 101 K C 0.073 176.483 176.600 -0.317 0.000 1.089 101 K CA -0.378 55.514 56.287 -0.659 0.000 0.907 101 K CB 0.448 32.398 32.500 -0.915 0.000 1.148 101 K HN 0.814 nan 8.250 nan 0.000 0.470 102 N N 0.329 118.897 118.700 -0.219 0.000 2.262 102 N HA -0.115 4.624 4.740 -0.000 0.000 0.260 102 N C 0.693 176.117 175.510 -0.144 0.000 1.305 102 N CA -0.006 52.954 53.050 -0.149 0.000 0.913 102 N CB 0.183 38.609 38.487 -0.101 0.000 1.116 102 N HN 0.315 nan 8.380 nan 0.000 0.512 103 S N -2.728 112.902 115.700 -0.116 0.000 2.584 103 S HA -0.127 4.343 4.470 -0.000 0.000 0.240 103 S C 0.354 174.903 174.600 -0.086 0.000 0.975 103 S CA 0.610 58.749 58.200 -0.101 0.000 0.949 103 S CB -0.762 62.385 63.200 -0.088 0.000 0.761 103 S HN 0.698 nan 8.310 nan 0.000 0.536 104 Q N 0.119 119.863 119.800 -0.093 0.000 2.055 104 Q HA 0.371 4.711 4.340 -0.000 0.000 0.226 104 Q C 0.638 176.583 176.000 -0.091 0.000 0.805 104 Q CA -0.118 55.640 55.803 -0.076 0.000 1.072 104 Q CB 0.765 29.470 28.738 -0.056 0.000 1.219 104 Q HN 0.527 nan 8.270 nan 0.000 0.451 105 G N 2.073 110.789 108.800 -0.140 0.000 2.341 105 G HA2 -0.317 3.643 3.960 -0.000 0.000 0.292 105 G HA3 -0.317 3.643 3.960 -0.000 0.000 0.292 105 G C -0.262 174.521 174.900 -0.195 0.000 1.021 105 G CA 0.470 45.451 45.100 -0.198 0.000 0.905 105 G HN 0.378 nan 8.290 nan 0.000 0.508 106 Q N -1.369 118.330 119.800 -0.168 0.000 2.307 106 Q HA 0.433 4.773 4.340 -0.000 0.000 0.262 106 Q C -0.483 175.474 176.000 -0.071 0.000 0.961 106 Q CA -0.884 54.877 55.803 -0.070 0.000 0.882 106 Q CB 1.285 30.012 28.738 -0.018 0.000 1.264 106 Q HN 0.428 nan 8.270 nan 0.000 0.446 107 W N 3.864 125.174 121.300 0.016 0.000 2.581 107 W HA 0.262 4.922 4.660 -0.000 0.000 0.359 107 W C 0.271 176.806 176.519 0.028 0.000 1.167 107 W CA -0.475 56.885 57.345 0.026 0.000 1.517 107 W CB 0.250 29.725 29.460 0.026 0.000 1.519 107 W HN 0.356 nan 8.180 nan 0.000 0.431 108 V N 1.177 121.221 119.914 0.216 0.000 2.850 108 V HA 0.528 4.648 4.120 -0.000 0.000 0.315 108 V C -0.061 176.132 176.094 0.164 0.000 1.064 108 V CA -1.765 60.620 62.300 0.141 0.000 0.979 108 V CB 1.767 33.631 31.823 0.068 0.000 1.039 108 V HN 0.353 nan 8.190 nan 0.000 0.452 109 K N 2.254 122.728 120.400 0.124 0.000 2.234 109 K HA 0.631 4.951 4.320 -0.000 0.000 0.282 109 K C -0.501 176.166 176.600 0.113 0.000 1.039 109 K CA -0.427 55.938 56.287 0.130 0.000 0.928 109 K CB 1.493 34.050 32.500 0.097 0.000 1.039 109 K HN 1.025 nan 8.250 nan 0.000 0.470 110 V N 0.977 120.977 119.914 0.143 0.000 2.994 110 V HA 0.559 4.679 4.120 -0.000 0.000 0.318 110 V C -0.876 175.299 176.094 0.135 0.000 1.085 110 V CA -1.121 61.252 62.300 0.122 0.000 0.998 110 V CB 1.617 33.520 31.823 0.134 0.000 1.063 110 V HN 0.967 nan 8.190 nan 0.000 0.447 111 N N 0.983 119.737 118.700 0.091 0.000 2.430 111 N HA 0.630 5.370 4.740 -0.000 0.000 0.298 111 N C -0.894 174.677 175.510 0.102 0.000 1.130 111 N CA -0.659 52.412 53.050 0.035 0.000 0.894 111 N CB 1.399 39.854 38.487 -0.054 0.000 1.209 111 N HN 1.017 nan 8.380 nan 0.000 0.503 112 Y N -2.667 117.660 120.300 0.045 0.000 2.605 112 Y HA 0.702 5.252 4.550 -0.000 0.000 0.343 112 Y C -1.389 174.526 175.900 0.024 0.000 1.036 112 Y CA -1.362 56.762 58.100 0.040 0.000 1.065 112 Y CB 1.570 40.058 38.460 0.048 0.000 1.288 112 Y HN 0.491 nan 8.280 nan 0.000 0.481 113 D N 1.458 121.998 120.400 0.233 0.000 2.505 113 D HA 0.381 5.021 4.640 -0.000 0.000 0.249 113 D C -2.024 174.401 176.300 0.209 0.000 1.082 113 D CA -0.403 53.680 54.000 0.139 0.000 0.839 113 D CB 2.096 42.927 40.800 0.052 0.000 1.317 113 D HN 0.679 nan 8.370 nan 0.000 0.497 114 L N 3.640 124.975 121.223 0.187 0.000 2.295 114 L HA 0.734 5.074 4.340 -0.000 0.000 0.281 114 L C -0.075 176.819 176.870 0.039 0.000 1.018 114 L CA -0.433 54.478 54.840 0.119 0.000 0.841 114 L CB 0.681 42.838 42.059 0.163 0.000 1.218 114 L HN 0.553 nan 8.230 nan 0.000 0.424 115 A N 4.201 127.003 122.820 -0.030 0.000 2.366 115 A HA 0.295 4.615 4.320 -0.000 0.000 0.250 115 A C 0.197 177.763 177.584 -0.030 0.000 1.099 115 A CA -0.337 51.662 52.037 -0.062 0.000 0.794 115 A CB 0.164 19.065 19.000 -0.166 0.000 1.056 115 A HN 0.619 nan 8.150 nan 0.000 0.499 116 K N 0.590 120.978 120.400 -0.019 0.000 2.436 116 K HA 0.005 4.325 4.320 -0.000 0.000 0.275 116 K C 0.272 176.889 176.600 0.028 0.000 0.999 116 K CA 0.129 56.422 56.287 0.010 0.000 0.980 116 K CB 0.233 32.740 32.500 0.011 0.000 0.919 116 K HN 0.717 nan 8.250 nan 0.000 0.484 117 R N 2.959 123.487 120.500 0.047 0.000 2.401 117 R HA -0.033 4.307 4.340 -0.000 0.000 0.299 117 R C -0.346 176.006 176.300 0.087 0.000 1.064 117 R CA -0.092 56.054 56.100 0.076 0.000 1.000 117 R CB 0.364 30.706 30.300 0.070 0.000 0.973 117 R HN 0.641 nan 8.270 nan 0.000 0.438 118 D N 1.561 122.038 120.400 0.129 0.000 2.354 118 D HA 0.011 4.651 4.640 -0.000 0.000 0.247 118 D C 0.160 176.505 176.300 0.074 0.000 1.138 118 D CA -0.282 53.785 54.000 0.110 0.000 0.958 118 D CB 1.106 41.999 40.800 0.155 0.000 1.144 118 D HN 0.446 nan 8.370 nan 0.000 0.458 119 D N 0.413 120.841 120.400 0.046 0.000 2.305 119 D HA -0.038 4.602 4.640 -0.000 0.000 0.206 119 D C 1.328 177.655 176.300 0.044 0.000 0.974 119 D CA 0.362 54.389 54.000 0.045 0.000 0.871 119 D CB 0.491 41.312 40.800 0.035 0.000 0.947 119 D HN 0.163 nan 8.370 nan 0.000 0.516 120 V N -0.483 119.440 119.914 0.015 0.000 3.151 120 V HA 0.126 4.246 4.120 -0.000 0.000 0.241 120 V C 1.557 177.644 176.094 -0.012 0.000 1.173 120 V CA 0.276 62.580 62.300 0.005 0.000 1.154 120 V CB 0.208 32.006 31.823 -0.041 0.000 0.898 120 V HN 0.048 nan 8.190 nan 0.000 0.473 121 L N 0.870 122.053 121.223 -0.066 0.000 2.529 121 L HA 0.480 4.820 4.340 -0.000 0.000 0.223 121 L C 1.454 178.347 176.870 0.039 0.000 1.113 121 L CA 0.816 55.579 54.840 -0.128 0.000 0.861 121 L CB -0.787 40.998 42.059 -0.458 0.000 1.012 121 L HN 0.590 nan 8.230 nan 0.000 0.461 122 G N 0.431 109.304 108.800 0.121 0.000 2.553 122 G HA2 -0.254 3.706 3.960 -0.000 0.000 0.242 122 G HA3 -0.254 3.706 3.960 -0.000 0.000 0.242 122 G C -0.274 174.782 174.900 0.260 0.000 1.277 122 G CA -0.221 44.981 45.100 0.169 0.000 0.910 122 G HN 0.229 nan 8.290 nan 0.000 0.576 123 S N 0.373 116.191 115.700 0.197 0.000 2.442 123 S HA 0.529 4.999 4.470 -0.000 0.000 0.297 123 S C 0.168 174.800 174.600 0.054 0.000 1.131 123 S CA -0.293 57.972 58.200 0.107 0.000 1.092 123 S CB 1.743 64.978 63.200 0.058 0.000 0.998 123 S HN 0.761 nan 8.310 nan 0.000 0.478 124 K N 2.758 122.999 120.400 -0.265 0.000 2.297 124 K HA 0.286 4.606 4.320 -0.000 0.000 0.286 124 K C -0.833 175.672 176.600 -0.158 0.000 1.053 124 K CA -0.618 55.408 56.287 -0.435 0.000 0.940 124 K CB 0.306 32.157 32.500 -1.081 0.000 1.019 124 K HN 0.486 nan 8.250 nan 0.000 0.475 125 L N 4.731 125.928 121.223 -0.042 0.000 2.262 125 L HA 0.319 4.659 4.340 -0.000 0.000 0.288 125 L C -1.128 175.756 176.870 0.024 0.000 1.035 125 L CA 0.263 55.097 54.840 -0.011 0.000 0.820 125 L CB 1.330 43.361 42.059 -0.047 0.000 1.204 125 L HN 0.615 nan 8.230 nan 0.000 0.424 126 T N 6.623 121.210 114.554 0.055 0.000 2.753 126 T HA 0.561 4.911 4.350 -0.000 0.000 0.297 126 T C 0.033 174.814 174.700 0.135 0.000 0.981 126 T CA -0.030 62.117 62.100 0.078 0.000 0.956 126 T CB 0.302 69.202 68.868 0.053 0.000 0.936 126 T HN 0.413 nan 8.240 nan 0.000 0.463 127 I N 3.425 124.082 120.570 0.146 0.000 2.493 127 I HA 0.356 4.526 4.170 -0.000 0.000 0.298 127 I C 0.162 176.373 176.117 0.155 0.000 0.998 127 I CA -0.902 60.506 61.300 0.180 0.000 1.137 127 I CB 1.665 39.767 38.000 0.170 0.000 1.310 127 I HN 0.419 nan 8.210 nan 0.000 0.445 128 N N 3.882 122.664 118.700 0.135 0.000 2.500 128 N HA 0.245 4.985 4.740 -0.000 0.000 0.236 128 N C -0.995 174.563 175.510 0.081 0.000 1.022 128 N CA 0.034 53.139 53.050 0.092 0.000 0.935 128 N CB 0.729 39.254 38.487 0.063 0.000 1.147 128 N HN 0.507 nan 8.380 nan 0.000 0.512 129 T N 3.506 118.104 114.554 0.073 0.000 2.895 129 T HA 0.487 4.837 4.350 -0.000 0.000 0.283 129 T C -2.492 172.172 174.700 -0.059 0.000 1.014 129 T CA -1.457 60.676 62.100 0.056 0.000 1.037 129 T CB 1.196 70.161 68.868 0.162 0.000 1.006 129 T HN 0.348 nan 8.240 nan 0.000 0.468 130 P HA -0.028 nan 4.420 nan 0.000 0.263 130 P C -0.122 177.019 177.300 -0.265 0.000 1.175 130 P CA -0.396 62.621 63.100 -0.139 0.000 0.761 130 P CB 0.292 31.918 31.700 -0.122 0.000 0.794 131 L N 4.957 126.023 121.223 -0.261 0.000 2.776 131 L HA -0.168 4.172 4.340 -0.000 0.000 0.283 131 L C 0.501 177.084 176.870 -0.477 0.000 1.194 131 L CA 1.397 56.019 54.840 -0.365 0.000 0.947 131 L CB -1.753 40.165 42.059 -0.235 0.000 1.255 131 L HN 0.712 nan 8.230 nan 0.000 0.481 132 N N 1.744 119.919 118.700 -0.876 0.000 2.741 132 N HA -0.204 4.536 4.740 -0.000 0.000 0.250 132 N C 0.481 175.668 175.510 -0.539 0.000 1.115 132 N CA 0.406 52.866 53.050 -0.984 0.000 0.724 132 N CB -0.736 37.488 38.487 -0.439 0.000 1.090 132 N HN 0.845 nan 8.380 nan 0.000 0.558 133 A N 0.919 123.507 122.820 -0.388 0.000 2.572 133 A HA -0.122 4.198 4.320 -0.000 0.000 0.256 133 A C 1.232 178.920 177.584 0.173 0.000 1.041 133 A CA 0.713 52.715 52.037 -0.058 0.000 0.790 133 A CB 0.206 19.225 19.000 0.032 0.000 0.947 133 A HN 0.328 nan 8.150 nan 0.000 0.518 134 K N 1.140 121.564 120.400 0.040 0.000 2.432 134 K HA 0.027 4.347 4.320 -0.000 0.000 0.196 134 K C 0.273 176.903 176.600 0.049 0.000 1.038 134 K CA 0.936 57.263 56.287 0.067 0.000 0.986 134 K CB 0.065 32.553 32.500 -0.020 0.000 0.782 134 K HN 0.705 nan 8.250 nan 0.000 0.485 135 K N -0.109 120.288 120.400 -0.005 0.000 2.579 135 K HA 0.419 4.738 4.320 -0.000 0.000 0.284 135 K C -1.635 175.047 176.600 0.136 0.000 0.990 135 K CA -0.721 55.608 56.287 0.070 0.000 0.880 135 K CB 2.847 35.371 32.500 0.041 0.000 1.488 135 K HN -0.287 nan 8.250 nan 0.000 0.425 136 V N 1.210 121.313 119.914 0.315 0.000 2.932 136 V HA 0.449 4.569 4.120 -0.000 0.000 0.307 136 V C -1.365 174.964 176.094 0.393 0.000 1.147 136 V CA -0.818 61.697 62.300 0.357 0.000 0.951 136 V CB 2.246 34.209 31.823 0.233 0.000 1.031 136 V HN 0.726 nan 8.190 nan 0.000 0.426 137 R N 3.167 123.884 120.500 0.362 0.000 2.409 137 R HA 0.801 5.141 4.340 -0.000 0.000 0.313 137 R C -1.863 174.474 176.300 0.061 0.000 0.953 137 R CA -0.315 55.848 56.100 0.105 0.000 0.849 137 R CB 1.842 31.981 30.300 -0.268 0.000 1.171 137 R HN 0.515 nan 8.270 nan 0.000 0.458 138 V N 5.197 125.150 119.914 0.065 0.000 2.459 138 V HA 0.403 4.523 4.120 -0.000 0.000 0.295 138 V C -0.951 175.266 176.094 0.205 0.000 1.029 138 V CA -0.728 61.637 62.300 0.109 0.000 0.874 138 V CB 1.361 33.183 31.823 -0.001 0.000 0.985 138 V HN 0.657 nan 8.190 nan 0.000 0.438 139 Y N 5.687 126.164 120.300 0.295 0.000 2.331 139 Y HA 0.694 5.244 4.550 -0.000 0.000 0.338 139 Y C -0.091 176.049 175.900 0.399 0.000 0.976 139 Y CA -0.431 57.904 58.100 0.391 0.000 1.137 139 Y CB 1.338 39.972 38.460 0.290 0.000 1.172 139 Y HN 0.758 nan 8.280 nan 0.000 0.478 140 Y N 0.503 120.978 120.300 0.292 0.000 2.744 140 Y HA 0.604 5.154 4.550 -0.000 0.000 0.330 140 Y C -1.662 174.336 175.900 0.164 0.000 1.263 140 Y CA -2.043 56.047 58.100 -0.015 0.000 1.065 140 Y CB 1.119 39.548 38.460 -0.052 0.000 1.306 140 Y HN 0.507 nan 8.280 nan 0.000 0.459 141 N N 0.291 119.011 118.700 0.033 0.000 2.357 141 N HA 0.508 5.247 4.740 -0.000 0.000 0.284 141 N C -1.353 174.253 175.510 0.160 0.000 1.236 141 N CA -0.405 52.650 53.050 0.008 0.000 0.774 141 N CB 2.263 40.825 38.487 0.124 0.000 1.534 141 N HN 0.960 nan 8.380 nan 0.000 0.478 142 S N -0.209 115.592 115.700 0.169 0.000 2.632 142 S HA 0.600 5.070 4.470 -0.000 0.000 0.271 142 S C 0.284 174.946 174.600 0.104 0.000 1.260 142 S CA -0.335 57.995 58.200 0.216 0.000 1.010 142 S CB 0.749 64.138 63.200 0.314 0.000 0.965 142 S HN 0.799 nan 8.310 nan 0.000 0.534 143 T N -1.015 113.591 114.554 0.087 0.000 2.950 143 T HA 0.482 4.832 4.350 -0.000 0.000 0.288 143 T C 0.849 175.534 174.700 -0.025 0.000 1.035 143 T CA -0.669 61.432 62.100 0.001 0.000 1.028 143 T CB 1.333 70.210 68.868 0.016 0.000 1.109 143 T HN 0.697 nan 8.240 nan 0.000 0.514 144 E N 1.271 121.388 120.200 -0.139 0.000 2.338 144 E HA -0.167 4.183 4.350 -0.000 0.000 0.197 144 E C 1.304 177.890 176.600 -0.023 0.000 1.007 144 E CA 0.885 57.168 56.400 -0.195 0.000 0.849 144 E CB -0.547 28.965 29.700 -0.314 0.000 0.774 144 E HN 0.946 nan 8.360 nan 0.000 0.506 145 K N 0.883 121.284 120.400 0.002 0.000 2.525 145 K HA 0.309 4.629 4.320 -0.000 0.000 0.192 145 K C 0.584 177.228 176.600 0.073 0.000 1.029 145 K CA 0.411 56.718 56.287 0.034 0.000 1.029 145 K CB -0.100 32.418 32.500 0.030 0.000 0.814 145 K HN 0.063 nan 8.250 nan 0.000 0.503 146 A N 2.347 125.233 122.820 0.109 0.000 2.548 146 A HA 0.022 4.342 4.320 -0.000 0.000 0.247 146 A C 1.338 178.987 177.584 0.107 0.000 1.067 146 A CA 0.285 52.413 52.037 0.152 0.000 0.757 146 A CB 0.123 19.255 19.000 0.219 0.000 0.996 146 A HN 0.480 nan 8.150 nan 0.000 0.504 147 T N 0.102 114.727 114.554 0.118 0.000 3.085 147 T HA 0.090 4.440 4.350 -0.000 0.000 0.263 147 T C 1.151 175.761 174.700 -0.150 0.000 1.127 147 T CA 1.100 63.205 62.100 0.008 0.000 1.103 147 T CB 0.043 68.970 68.868 0.099 0.000 0.921 147 T HN 0.893 nan 8.240 nan 0.000 0.510 148 G N 0.897 109.732 108.800 0.059 0.000 3.502 148 G HA2 0.559 4.519 3.960 -0.000 0.000 0.267 148 G HA3 0.559 4.519 3.960 -0.000 0.000 0.267 148 G C -0.154 174.697 174.900 -0.082 0.000 1.090 148 G CA -0.504 44.658 45.100 0.102 0.000 0.795 148 G HN 0.510 nan 8.290 nan 0.000 0.535 149 L N 0.027 121.135 121.223 -0.192 0.000 2.464 149 L HA 0.461 4.800 4.340 -0.000 0.000 0.266 149 L C -1.082 175.485 176.870 -0.505 0.000 0.965 149 L CA -1.037 53.542 54.840 -0.436 0.000 0.833 149 L CB 2.651 44.407 42.059 -0.506 0.000 1.296 149 L HN -0.052 nan 8.230 nan 0.000 0.405 150 Q N 1.900 121.203 119.800 -0.827 0.000 2.348 150 Q HA 0.370 4.710 4.340 -0.000 0.000 0.265 150 Q C -1.915 173.696 176.000 -0.648 0.000 0.998 150 Q CA -0.145 55.178 55.803 -0.801 0.000 0.831 150 Q CB 1.057 29.075 28.738 -1.200 0.000 1.251 150 Q HN 0.407 nan 8.270 nan 0.000 0.456 151 W N 5.902 127.083 121.300 -0.199 0.000 2.317 151 W HA 0.452 5.112 4.660 -0.000 0.000 0.327 151 W C -0.886 175.660 176.519 0.044 0.000 1.036 151 W CA -0.440 56.903 57.345 -0.003 0.000 1.419 151 W CB 0.589 30.052 29.460 0.005 0.000 1.253 151 W HN 0.460 nan 8.180 nan 0.000 0.392 152 L N 4.140 125.513 121.223 0.250 0.000 2.282 152 L HA 0.386 4.726 4.340 -0.000 0.000 0.288 152 L C 0.958 177.927 176.870 0.164 0.000 1.033 152 L CA -0.800 54.155 54.840 0.192 0.000 0.807 152 L CB 1.078 43.252 42.059 0.192 0.000 1.209 152 L HN 0.389 nan 8.230 nan 0.000 0.423 153 S N 1.996 117.763 115.700 0.112 0.000 2.579 153 S HA 0.205 4.675 4.470 -0.000 0.000 0.275 153 S C 1.335 175.946 174.600 0.019 0.000 1.345 153 S CA -0.111 58.123 58.200 0.057 0.000 1.031 153 S CB 1.460 64.686 63.200 0.042 0.000 0.892 153 S HN 0.729 nan 8.310 nan 0.000 0.529 154 A N 1.481 124.287 122.820 -0.024 0.000 2.032 154 A HA -0.180 4.140 4.320 -0.000 0.000 0.221 154 A C 2.203 179.782 177.584 -0.008 0.000 1.165 154 A CA 1.748 53.768 52.037 -0.028 0.000 0.645 154 A CB -1.035 17.937 19.000 -0.046 0.000 0.807 154 A HN 1.036 nan 8.150 nan 0.000 0.453 155 E N -0.378 119.819 120.200 -0.004 0.000 2.158 155 E HA -0.166 4.184 4.350 -0.000 0.000 0.191 155 E C 1.272 177.867 176.600 -0.008 0.000 0.982 155 E CA 0.871 57.266 56.400 -0.009 0.000 0.823 155 E CB -0.397 29.298 29.700 -0.008 0.000 0.766 155 E HN 0.760 nan 8.360 nan 0.000 0.468 156 Q N 1.766 121.572 119.800 0.009 0.000 2.291 156 Q HA 0.054 4.394 4.340 -0.000 0.000 0.211 156 Q C 0.139 176.142 176.000 0.005 0.000 0.925 156 Q CA 0.707 56.519 55.803 0.015 0.000 0.949 156 Q CB 0.268 29.032 28.738 0.043 0.000 1.015 156 Q HN 0.341 nan 8.270 nan 0.000 0.477 157 T N -5.416 109.132 114.554 -0.009 0.000 2.926 157 T HA 0.640 4.989 4.350 -0.000 0.000 0.289 157 T C 0.820 175.473 174.700 -0.079 0.000 1.054 157 T CA -0.365 61.722 62.100 -0.022 0.000 1.015 157 T CB 1.773 70.674 68.868 0.054 0.000 1.167 157 T HN -0.031 nan 8.240 nan 0.000 0.526 158 A N 0.765 123.510 122.820 -0.125 0.000 1.929 158 A HA 0.303 4.623 4.320 -0.000 0.000 0.216 158 A C 2.322 179.832 177.584 -0.124 0.000 1.176 158 A CA 1.475 53.351 52.037 -0.268 0.000 0.628 158 A CB -1.482 17.186 19.000 -0.552 0.000 0.816 158 A HN 1.149 nan 8.150 nan 0.000 0.444 159 G N -1.536 107.255 108.800 -0.014 0.000 2.443 159 G HA2 -0.035 3.925 3.960 -0.000 0.000 0.219 159 G HA3 -0.035 3.925 3.960 -0.000 0.000 0.219 159 G C 1.033 175.930 174.900 -0.005 0.000 1.131 159 G CA 1.214 46.324 45.100 0.017 0.000 0.775 159 G HN 0.308 nan 8.290 nan 0.000 0.547 160 K N -1.060 119.330 120.400 -0.016 0.000 3.596 160 K HA -0.212 4.108 4.320 -0.000 0.000 0.295 160 K C 1.358 177.951 176.600 -0.011 0.000 1.230 160 K CA 1.967 58.243 56.287 -0.019 0.000 1.029 160 K CB -1.278 31.207 32.500 -0.025 0.000 1.303 160 K HN 0.600 nan 8.250 nan 0.000 0.442 161 E N 0.091 120.288 120.200 -0.004 0.000 2.307 161 E HA 0.095 4.444 4.350 -0.000 0.000 0.195 161 E C -0.133 176.453 176.600 -0.023 0.000 0.975 161 E CA 0.457 56.853 56.400 -0.007 0.000 0.878 161 E CB 0.396 30.098 29.700 0.004 0.000 0.845 161 E HN 0.204 nan 8.360 nan 0.000 0.488 162 K N 0.927 121.311 120.400 -0.028 0.000 2.426 162 K HA 0.339 4.659 4.320 -0.000 0.000 0.251 162 K C -2.707 173.824 176.600 -0.116 0.000 0.941 162 K CA -2.173 54.065 56.287 -0.082 0.000 0.808 162 K CB 2.330 34.791 32.500 -0.066 0.000 1.265 162 K HN -0.147 nan 8.250 nan 0.000 0.432 163 P HA 0.206 nan 4.420 nan 0.000 0.277 163 P C -1.098 176.059 177.300 -0.239 0.000 1.276 163 P CA -0.255 62.653 63.100 -0.319 0.000 0.788 163 P CB 0.591 31.900 31.700 -0.651 0.000 1.114 164 F N -0.190 119.658 119.950 -0.170 0.000 2.591 164 F HA 0.566 5.093 4.527 -0.000 0.000 0.309 164 F C -1.560 174.312 175.800 0.119 0.000 1.098 164 F CA -0.994 57.005 58.000 -0.001 0.000 0.937 164 F CB 1.604 40.631 39.000 0.045 0.000 1.250 164 F HN 0.138 nan 8.300 nan 0.000 0.447 165 L N 6.706 128.016 121.223 0.144 0.000 2.388 165 L HA 0.870 5.210 4.340 -0.000 0.000 0.264 165 L C -1.867 175.034 176.870 0.052 0.000 0.998 165 L CA -0.643 54.152 54.840 -0.075 0.000 0.817 165 L CB 1.924 43.657 42.059 -0.544 0.000 1.338 165 L HN 0.524 nan 8.230 nan 0.000 0.414 166 F N 1.216 121.108 119.950 -0.097 0.000 2.665 166 F HA 0.772 5.299 4.527 -0.000 0.000 0.308 166 F C -0.918 174.827 175.800 -0.092 0.000 1.112 166 F CA -0.590 57.441 58.000 0.053 0.000 0.972 166 F CB 0.805 40.017 39.000 0.352 0.000 1.295 166 F HN 0.605 nan 8.300 nan 0.000 0.440 167 S N 1.736 117.489 115.700 0.088 0.000 2.616 167 S HA 0.631 5.100 4.470 -0.000 0.000 0.277 167 S C -0.678 173.996 174.600 0.124 0.000 1.234 167 S CA -0.420 57.719 58.200 -0.102 0.000 1.028 167 S CB 1.692 64.690 63.200 -0.337 0.000 0.988 167 S HN 0.966 nan 8.310 nan 0.000 0.522 168 Q N 1.427 121.281 119.800 0.090 0.000 2.891 168 Q HA 0.401 4.741 4.340 -0.000 0.000 0.242 168 Q C -0.852 175.211 176.000 0.105 0.000 0.959 168 Q CA -0.277 55.563 55.803 0.062 0.000 0.707 168 Q CB 0.354 29.142 28.738 0.084 0.000 1.283 168 Q HN 0.757 nan 8.270 nan 0.000 0.480 169 N N 1.848 120.631 118.700 0.139 0.000 2.383 169 N HA -0.007 4.733 4.740 -0.000 0.000 0.192 169 N C -0.630 175.000 175.510 0.200 0.000 1.141 169 N CA 0.227 53.428 53.050 0.251 0.000 0.851 169 N CB 0.510 39.139 38.487 0.235 0.000 0.976 169 N HN 0.599 nan 8.380 nan 0.000 0.465 170 Q N -0.153 119.701 119.800 0.090 0.000 2.271 170 Q HA 0.502 4.842 4.340 -0.000 0.000 0.258 170 Q C 0.276 176.212 176.000 -0.106 0.000 0.936 170 Q CA -0.486 55.262 55.803 -0.091 0.000 0.909 170 Q CB 1.557 30.191 28.738 -0.173 0.000 1.253 170 Q HN 0.128 nan 8.270 nan 0.000 0.440 171 A N 4.776 127.369 122.820 -0.378 0.000 1.871 171 A HA 0.082 4.402 4.320 -0.000 0.000 0.211 171 A C 1.068 178.427 177.584 -0.374 0.000 1.207 171 A CA 0.750 52.317 52.037 -0.783 0.000 0.620 171 A CB -0.027 18.044 19.000 -1.548 0.000 0.860 171 A HN 0.786 nan 8.150 nan 0.000 0.450 172 I N -4.750 115.546 120.570 -0.457 0.000 2.934 172 I HA 0.478 4.648 4.170 -0.000 0.000 0.312 172 I C -0.115 175.805 176.117 -0.327 0.000 1.342 172 I CA -0.412 60.747 61.300 -0.234 0.000 0.946 172 I CB 0.348 38.302 38.000 -0.077 0.000 2.034 172 I HN 0.098 nan 8.210 nan 0.000 0.604 173 H N 1.987 121.107 119.070 0.084 0.000 2.893 173 H HA 0.418 4.974 4.556 -0.000 0.000 0.270 173 H C 1.905 177.336 175.328 0.173 0.000 1.095 173 H CA 0.597 56.723 56.048 0.130 0.000 1.186 173 H CB 1.101 30.947 29.762 0.139 0.000 1.562 173 H HN 0.652 nan 8.280 nan 0.000 0.536 174 A N 1.956 124.865 122.820 0.149 0.000 1.933 174 A HA -0.183 4.136 4.320 -0.000 0.000 0.218 174 A C 2.450 179.901 177.584 -0.222 0.000 1.175 174 A CA 1.405 53.381 52.037 -0.102 0.000 0.628 174 A CB -0.376 18.513 19.000 -0.185 0.000 0.814 174 A HN 0.457 nan 8.150 nan 0.000 0.444 175 R N 0.539 120.998 120.500 -0.069 0.000 2.193 175 R HA -0.093 4.247 4.340 -0.000 0.000 0.229 175 R C 1.749 178.068 176.300 0.032 0.000 1.110 175 R CA 1.792 57.856 56.100 -0.060 0.000 0.988 175 R CB -0.852 29.446 30.300 -0.004 0.000 0.871 175 R HN 0.513 nan 8.270 nan 0.000 0.458 176 S N 0.383 116.188 115.700 0.175 0.000 2.555 176 S HA -0.042 4.427 4.470 -0.000 0.000 0.230 176 S C 1.021 175.841 174.600 0.367 0.000 0.978 176 S CA 0.269 58.628 58.200 0.265 0.000 0.934 176 S CB -0.455 62.937 63.200 0.321 0.000 0.766 176 S HN 0.784 nan 8.310 nan 0.000 0.533 177 W N -0.084 121.265 121.300 0.081 0.000 1.460 177 W HA 0.568 5.227 4.660 -0.000 0.000 0.226 177 W C -1.076 175.522 176.519 0.132 0.000 0.808 177 W CA -1.041 56.386 57.345 0.136 0.000 1.278 177 W CB -0.639 28.880 29.460 0.098 0.000 0.927 177 W HN 0.074 nan 8.180 nan 0.000 0.442 178 I N 3.776 124.181 120.570 -0.275 0.000 2.611 178 I HA 0.254 4.424 4.170 -0.000 0.000 0.287 178 I C -2.562 173.309 176.117 -0.410 0.000 1.184 178 I CA -1.764 59.272 61.300 -0.440 0.000 1.054 178 I CB 3.086 40.661 38.000 -0.707 0.000 1.257 178 I HN -0.400 nan 8.210 nan 0.000 0.435 179 P HA 0.450 nan 4.420 nan 0.000 0.281 179 P C -0.710 176.440 177.300 -0.250 0.000 1.286 179 P CA 0.101 62.987 63.100 -0.358 0.000 0.772 179 P CB 1.850 33.285 31.700 -0.442 0.000 0.862 180 I N 1.971 122.434 120.570 -0.178 0.000 3.395 180 I HA 0.171 4.340 4.170 -0.000 0.000 0.318 180 I C -0.922 175.146 176.117 -0.082 0.000 1.262 180 I CA -1.079 60.135 61.300 -0.143 0.000 0.910 180 I CB 2.325 40.204 38.000 -0.201 0.000 1.329 180 I HN 0.081 nan 8.210 nan 0.000 0.485 181 Q N 2.135 121.891 119.800 -0.074 0.000 2.681 181 Q HA 0.190 4.529 4.340 -0.000 0.000 0.222 181 Q C -1.319 174.637 176.000 -0.074 0.000 1.258 181 Q CA -0.218 55.560 55.803 -0.041 0.000 1.014 181 Q CB 0.123 28.836 28.738 -0.040 0.000 1.384 181 Q HN 0.281 nan 8.270 nan 0.000 0.570 182 D N 2.180 122.552 120.400 -0.046 0.000 2.385 182 D HA 0.039 4.679 4.640 -0.000 0.000 0.260 182 D C -0.901 175.393 176.300 -0.011 0.000 1.326 182 D CA 0.703 54.688 54.000 -0.026 0.000 1.023 182 D CB 0.379 41.178 40.800 -0.002 0.000 1.083 182 D HN 0.196 nan 8.370 nan 0.000 0.517 183 T N 3.840 118.348 114.554 -0.077 0.000 3.097 183 T HA 0.234 4.583 4.350 -0.000 0.000 0.332 183 T C -2.264 172.309 174.700 -0.211 0.000 1.269 183 T CA -1.004 60.979 62.100 -0.195 0.000 1.076 183 T CB 2.034 70.655 68.868 -0.411 0.000 1.209 183 T HN -0.008 nan 8.240 nan 0.000 0.474 184 P HA 0.109 nan 4.420 nan 0.000 0.237 184 P C 0.990 178.132 177.300 -0.263 0.000 1.178 184 P CA 0.389 63.342 63.100 -0.246 0.000 0.766 184 P CB 0.191 31.565 31.700 -0.543 0.000 0.876 185 S N -1.449 114.036 115.700 -0.358 0.000 2.501 185 S HA 0.070 4.539 4.470 -0.000 0.000 0.220 185 S C 0.812 175.231 174.600 -0.302 0.000 0.997 185 S CA 0.260 58.255 58.200 -0.341 0.000 0.919 185 S CB 0.013 62.928 63.200 -0.475 0.000 0.778 185 S HN -0.048 nan 8.310 nan 0.000 0.523 186 V N 2.819 122.550 119.914 -0.305 0.000 2.378 186 V HA 0.411 4.531 4.120 -0.000 0.000 0.288 186 V C -0.181 175.835 176.094 -0.131 0.000 1.016 186 V CA -0.677 61.503 62.300 -0.200 0.000 0.840 186 V CB 1.387 33.084 31.823 -0.210 0.000 0.994 186 V HN 0.175 nan 8.190 nan 0.000 0.431 187 R N 3.162 123.613 120.500 -0.081 0.000 2.460 187 R HA 0.835 5.175 4.340 -0.000 0.000 0.303 187 R C -0.814 175.469 176.300 -0.029 0.000 0.968 187 R CA -0.518 55.551 56.100 -0.052 0.000 0.889 187 R CB 2.151 32.442 30.300 -0.015 0.000 1.123 187 R HN 0.661 nan 8.270 nan 0.000 0.455 188 V N -1.376 118.524 119.914 -0.025 0.000 3.114 188 V HA 0.663 4.783 4.120 -0.000 0.000 0.308 188 V C -0.164 175.961 176.094 0.053 0.000 1.168 188 V CA -0.920 61.382 62.300 0.004 0.000 1.015 188 V CB 1.978 33.773 31.823 -0.046 0.000 1.050 188 V HN 0.882 nan 8.190 nan 0.000 0.433 189 T N 0.822 115.456 114.554 0.133 0.000 2.927 189 T HA 0.844 5.194 4.350 -0.000 0.000 0.281 189 T C -0.666 174.149 174.700 0.191 0.000 0.998 189 T CA -0.262 61.968 62.100 0.216 0.000 1.019 189 T CB 1.555 70.583 68.868 0.266 0.000 1.061 189 T HN 1.860 nan 8.240 nan 0.000 0.518 190 Y N -1.354 118.916 120.300 -0.049 0.000 2.562 190 Y HA 0.755 5.304 4.550 -0.000 0.000 0.345 190 Y C -0.752 175.135 175.900 -0.023 0.000 1.045 190 Y CA -1.196 56.741 58.100 -0.273 0.000 1.028 190 Y CB 1.285 39.586 38.460 -0.264 0.000 1.297 190 Y HN 1.016 nan 8.280 nan 0.000 0.463 191 T N 0.138 114.670 114.554 -0.036 0.000 2.900 191 T HA 0.946 5.296 4.350 -0.000 0.000 0.295 191 T C -0.995 173.523 174.700 -0.303 0.000 1.044 191 T CA -0.369 61.658 62.100 -0.122 0.000 0.995 191 T CB 1.550 70.580 68.868 0.270 0.000 1.072 191 T HN 1.683 nan 8.240 nan 0.000 0.473 192 A N 2.193 124.654 122.820 -0.598 0.000 2.465 192 A HA 0.741 5.061 4.320 -0.000 0.000 0.292 192 A C -0.647 176.641 177.584 -0.493 0.000 1.041 192 A CA -0.880 50.868 52.037 -0.482 0.000 0.718 192 A CB 1.553 20.483 19.000 -0.116 0.000 1.266 192 A HN 0.657 nan 8.150 nan 0.000 0.403 193 R N 3.197 123.451 120.500 -0.411 0.000 2.230 193 R HA 0.404 4.743 4.340 -0.000 0.000 0.337 193 R C -0.953 175.352 176.300 0.009 0.000 1.063 193 R CA -0.572 55.502 56.100 -0.044 0.000 0.935 193 R CB -0.112 30.299 30.300 0.186 0.000 1.121 193 R HN 0.626 nan 8.270 nan 0.000 0.486 194 I N 3.405 124.079 120.570 0.173 0.000 2.377 194 I HA 0.285 4.455 4.170 -0.000 0.000 0.293 194 I C 0.311 176.566 176.117 0.230 0.000 0.987 194 I CA -0.575 60.843 61.300 0.197 0.000 1.185 194 I CB 1.664 39.837 38.000 0.290 0.000 1.341 194 I HN 0.271 nan 8.210 nan 0.000 0.455 195 T N 5.257 119.892 114.554 0.136 0.000 2.779 195 T HA 0.629 4.979 4.350 -0.000 0.000 0.280 195 T C 0.397 175.174 174.700 0.129 0.000 0.987 195 T CA -0.443 61.722 62.100 0.108 0.000 0.966 195 T CB 1.581 70.483 68.868 0.057 0.000 0.933 195 T HN 0.856 nan 8.240 nan 0.000 0.442 196 T N -0.478 114.179 114.554 0.171 0.000 2.716 196 T HA 0.491 4.841 4.350 -0.000 0.000 0.286 196 T C -1.360 173.440 174.700 0.168 0.000 1.052 196 T CA -1.066 61.150 62.100 0.195 0.000 1.024 196 T CB 1.252 70.296 68.868 0.294 0.000 1.349 196 T HN 0.278 nan 8.240 nan 0.000 0.525 197 D N 1.860 122.375 120.400 0.192 0.000 2.371 197 D HA 0.174 4.814 4.640 -0.000 0.000 0.256 197 D C -0.012 176.371 176.300 0.138 0.000 1.193 197 D CA -0.049 54.040 54.000 0.147 0.000 0.881 197 D CB 0.567 41.459 40.800 0.153 0.000 1.143 197 D HN 0.517 nan 8.370 nan 0.000 0.473 198 K N 2.720 123.176 120.400 0.093 0.000 2.359 198 K HA -0.236 4.084 4.320 -0.000 0.000 0.242 198 K C -0.316 176.335 176.600 0.084 0.000 1.098 198 K CA 0.746 57.077 56.287 0.073 0.000 1.164 198 K CB -0.056 32.473 32.500 0.047 0.000 0.720 198 K HN 0.487 nan 8.250 nan 0.000 0.500 199 D N 0.052 120.508 120.400 0.093 0.000 3.102 199 D HA -0.145 4.495 4.640 -0.000 0.000 0.210 199 D C -1.014 175.333 176.300 0.078 0.000 1.077 199 D CA 0.824 54.870 54.000 0.076 0.000 0.969 199 D CB -0.845 39.987 40.800 0.054 0.000 1.084 199 D HN 0.182 nan 8.370 nan 0.000 0.432 200 L N 0.274 121.567 121.223 0.117 0.000 2.422 200 L HA 0.662 5.002 4.340 -0.000 0.000 0.264 200 L C -0.802 176.139 176.870 0.118 0.000 0.984 200 L CA -0.898 53.997 54.840 0.092 0.000 0.819 200 L CB 1.878 44.008 42.059 0.119 0.000 1.330 200 L HN 0.052 nan 8.230 nan 0.000 0.410 201 L N 2.383 123.588 121.223 -0.029 0.000 2.334 201 L HA 0.948 5.288 4.340 -0.000 0.000 0.276 201 L C -0.495 176.134 176.870 -0.403 0.000 1.014 201 L CA -0.229 54.488 54.840 -0.205 0.000 0.815 201 L CB 1.680 43.672 42.059 -0.111 0.000 1.268 201 L HN 0.697 nan 8.230 nan 0.000 0.428 202 A N 4.407 126.760 122.820 -0.778 0.000 2.324 202 A HA 0.841 5.160 4.320 -0.000 0.000 0.330 202 A C -1.198 176.222 177.584 -0.273 0.000 1.165 202 A CA -0.489 51.261 52.037 -0.478 0.000 0.813 202 A CB 1.367 20.201 19.000 -0.276 0.000 1.197 202 A HN 0.591 nan 8.150 nan 0.000 0.484 203 V N 2.692 122.382 119.914 -0.374 0.000 3.049 203 V HA 0.723 4.843 4.120 -0.000 0.000 0.309 203 V C -0.200 175.543 176.094 -0.585 0.000 1.148 203 V CA -0.359 61.704 62.300 -0.395 0.000 0.990 203 V CB 2.146 33.641 31.823 -0.547 0.000 1.039 203 V HN 1.072 nan 8.190 nan 0.000 0.430 204 M N 0.739 120.032 119.600 -0.512 0.000 3.331 204 M HA 0.352 4.832 4.480 -0.000 0.000 0.281 204 M C -0.594 175.657 176.300 -0.082 0.000 1.338 204 M CA -0.577 54.495 55.300 -0.380 0.000 0.827 204 M CB 2.520 34.739 32.600 -0.635 0.000 1.674 204 M HN 0.399 nan 8.290 nan 0.000 0.477 205 S N 0.913 116.658 115.700 0.075 0.000 3.548 205 S HA 0.681 5.150 4.470 -0.000 0.000 0.195 205 S C -0.463 174.207 174.600 0.117 0.000 1.432 205 S CA -0.355 57.908 58.200 0.106 0.000 1.087 205 S CB -0.591 62.659 63.200 0.084 0.000 1.337 205 S HN 0.592 nan 8.310 nan 0.000 0.505 206 A N 1.744 124.588 122.820 0.041 0.000 2.594 206 A HA 0.656 4.975 4.320 -0.000 0.000 0.307 206 A C -1.549 176.080 177.584 0.076 0.000 1.203 206 A CA -1.074 50.948 52.037 -0.025 0.000 0.644 206 A CB 0.601 19.422 19.000 -0.300 0.000 1.349 206 A HN 0.361 nan 8.150 nan 0.000 0.510 207 N N 2.177 120.915 118.700 0.063 0.000 2.444 207 N HA 0.365 5.105 4.740 -0.000 0.000 0.271 207 N C -1.195 174.374 175.510 0.097 0.000 1.069 207 N CA -0.226 52.875 53.050 0.084 0.000 0.965 207 N CB 0.532 39.053 38.487 0.057 0.000 1.092 207 N HN 0.658 nan 8.380 nan 0.000 0.476 208 N N -0.768 117.981 118.700 0.082 0.000 2.437 208 N HA 0.326 5.066 4.740 -0.000 0.000 0.259 208 N C 0.229 175.711 175.510 -0.046 0.000 0.983 208 N CA -0.666 52.366 53.050 -0.029 0.000 0.937 208 N CB 0.484 38.983 38.487 0.021 0.000 1.122 208 N HN 0.551 nan 8.380 nan 0.000 0.499 215 D N -0.557 119.832 120.400 -0.018 0.000 2.137 215 D HA 0.155 4.795 4.640 -0.000 0.000 0.202 215 D C 1.123 177.348 176.300 -0.124 0.000 0.970 215 D CA 1.572 55.519 54.000 -0.088 0.000 0.837 215 D CB 0.010 40.727 40.800 -0.138 0.000 0.981 215 D HN 0.818 nan 8.370 nan 0.000 0.475 216 G N -0.238 108.354 108.800 -0.346 0.000 2.198 216 G HA2 -0.142 3.818 3.960 -0.000 0.000 0.156 216 G HA3 -0.142 3.818 3.960 -0.000 0.000 0.156 216 G C -0.653 174.008 174.900 -0.398 0.000 1.012 216 G CA 0.068 45.047 45.100 -0.201 0.000 0.692 216 G HN 0.547 nan 8.290 nan 0.000 0.492 217 D N 0.294 120.245 120.400 -0.748 0.000 2.421 217 D HA 0.553 5.192 4.640 -0.000 0.000 0.254 217 D C -0.848 175.080 176.300 -0.620 0.000 1.238 217 D CA -0.310 53.413 54.000 -0.461 0.000 0.919 217 D CB 0.844 41.519 40.800 -0.208 0.000 1.152 217 D HN 0.172 nan 8.370 nan 0.000 0.552 218 Y N 1.824 122.131 120.300 0.012 0.000 2.562 218 Y HA 0.633 5.183 4.550 -0.000 0.000 0.343 218 Y C -0.612 175.235 175.900 -0.088 0.000 1.025 218 Y CA -1.208 56.800 58.100 -0.154 0.000 1.082 218 Y CB 2.096 40.422 38.460 -0.222 0.000 1.264 218 Y HN 0.251 nan 8.280 nan 0.000 0.478 219 F N 2.061 121.826 119.950 -0.309 0.000 2.588 219 F HA 0.689 5.216 4.527 -0.000 0.000 0.314 219 F C -2.198 173.391 175.800 -0.352 0.000 1.134 219 F CA -1.319 56.616 58.000 -0.108 0.000 0.961 219 F CB 0.966 39.935 39.000 -0.052 0.000 1.239 219 F HN 0.301 nan 8.300 nan 0.000 0.448 220 F N 2.833 122.578 119.950 -0.342 0.000 2.556 220 F HA 0.708 5.235 4.527 -0.000 0.000 0.327 220 F C -0.010 175.565 175.800 -0.374 0.000 1.059 220 F CA -1.127 56.731 58.000 -0.236 0.000 0.953 220 F CB 2.094 40.965 39.000 -0.215 0.000 1.227 220 F HN 0.376 nan 8.300 nan 0.000 0.478 221 S N 2.353 118.012 115.700 -0.068 0.000 2.677 221 S HA 0.596 5.066 4.470 -0.000 0.000 0.283 221 S C -1.368 173.124 174.600 -0.180 0.000 1.159 221 S CA -0.545 57.579 58.200 -0.126 0.000 1.001 221 S CB 0.814 64.054 63.200 0.066 0.000 1.032 221 S HN 0.630 nan 8.310 nan 0.000 0.487 222 M N 8.292 127.691 119.600 -0.334 0.000 2.060 222 M HA 0.540 5.020 4.480 -0.000 0.000 0.342 222 M C -2.310 173.960 176.300 -0.050 0.000 1.031 222 M CA -2.100 53.079 55.300 -0.202 0.000 0.981 222 M CB 1.654 34.054 32.600 -0.332 0.000 1.376 222 M HN 0.334 nan 8.290 nan 0.000 0.397 223 P HA 0.045 nan 4.420 nan 0.000 0.253 223 P C -0.768 176.460 177.300 -0.121 0.000 1.260 223 P CA 0.445 63.517 63.100 -0.046 0.000 0.800 223 P CB 0.229 31.896 31.700 -0.055 0.000 1.162 224 Q N 0.736 120.477 119.800 -0.098 0.000 2.340 224 Q HA 0.479 4.818 4.340 -0.000 0.000 0.259 224 Q C 0.017 175.970 176.000 -0.078 0.000 0.964 224 Q CA -0.632 55.032 55.803 -0.232 0.000 0.900 224 Q CB 1.830 30.527 28.738 -0.068 0.000 1.228 224 Q HN 0.037 nan 8.270 nan 0.000 0.449 225 A N 4.729 127.426 122.820 -0.205 0.000 2.515 225 A HA 0.374 4.694 4.320 -0.000 0.000 0.263 225 A C 0.276 177.925 177.584 0.109 0.000 1.096 225 A CA 0.028 52.044 52.037 -0.035 0.000 0.769 225 A CB -0.579 18.379 19.000 -0.070 0.000 1.040 225 A HN 0.728 nan 8.150 nan 0.000 0.505 226 I N 0.618 121.244 120.570 0.094 0.000 2.730 226 I HA 0.696 4.866 4.170 -0.000 0.000 0.298 226 I C -2.790 173.271 176.117 -0.093 0.000 1.089 226 I CA -2.985 58.348 61.300 0.055 0.000 1.041 226 I CB 2.832 40.855 38.000 0.039 0.000 1.235 226 I HN 0.321 nan 8.210 nan 0.000 0.423 227 P HA 0.254 nan 4.420 nan 0.000 0.275 227 P C -2.315 174.793 177.300 -0.319 0.000 1.227 227 P CA -1.334 61.634 63.100 -0.221 0.000 0.781 227 P CB 0.548 32.134 31.700 -0.191 0.000 0.906 228 P HA -0.228 nan 4.420 nan 0.000 0.219 228 P C 1.376 178.564 177.300 -0.187 0.000 1.153 228 P CA 1.859 64.816 63.100 -0.237 0.000 0.865 228 P CB -0.833 30.756 31.700 -0.185 0.000 0.788 229 Y N -1.893 118.361 120.300 -0.077 0.000 2.651 229 Y HA 0.021 4.571 4.550 -0.000 0.000 0.296 229 Y C 1.501 177.347 175.900 -0.090 0.000 1.150 229 Y CA 0.577 58.656 58.100 -0.035 0.000 1.348 229 Y CB -1.444 37.059 38.460 0.071 0.000 0.983 229 Y HN -0.050 nan 8.280 nan 0.000 0.555 230 L N 0.597 121.534 121.223 -0.477 0.000 2.616 230 L HA 0.260 4.600 4.340 -0.000 0.000 0.229 230 L C 0.419 177.113 176.870 -0.294 0.000 1.110 230 L CA -0.160 54.416 54.840 -0.441 0.000 0.884 230 L CB 0.188 41.906 42.059 -0.567 0.000 1.115 230 L HN 0.122 nan 8.230 nan 0.000 0.481 231 I N 1.438 121.813 120.570 -0.326 0.000 2.517 231 I HA 0.208 4.378 4.170 -0.000 0.000 0.285 231 I C 0.364 176.416 176.117 -0.108 0.000 1.106 231 I CA 0.103 61.153 61.300 -0.417 0.000 1.402 231 I CB 0.677 38.253 38.000 -0.706 0.000 1.399 231 I HN 0.044 nan 8.210 nan 0.000 0.535 232 A N 7.987 130.789 122.820 -0.030 0.000 2.539 232 A HA 0.868 5.188 4.320 -0.000 0.000 0.296 232 A C -1.130 176.499 177.584 0.074 0.000 1.073 232 A CA -0.532 51.519 52.037 0.023 0.000 0.700 232 A CB 2.168 21.034 19.000 -0.223 0.000 1.296 232 A HN 0.683 nan 8.150 nan 0.000 0.405 233 I N 0.453 121.047 120.570 0.040 0.000 2.722 233 I HA 0.707 4.877 4.170 -0.000 0.000 0.295 233 I C -0.278 175.836 176.117 -0.005 0.000 1.161 233 I CA -0.426 60.818 61.300 -0.094 0.000 1.032 233 I CB 2.284 40.107 38.000 -0.296 0.000 1.244 233 I HN 0.914 nan 8.210 nan 0.000 0.421 234 G N 6.087 114.797 108.800 -0.150 0.000 2.662 234 G HA2 0.653 4.613 3.960 -0.000 0.000 0.302 234 G HA3 0.653 4.613 3.960 -0.000 0.000 0.302 234 G C -1.968 172.697 174.900 -0.392 0.000 1.389 234 G CA -0.375 44.594 45.100 -0.219 0.000 0.998 234 G HN 0.408 nan 8.290 nan 0.000 0.502 235 V N 0.989 120.612 119.914 -0.485 0.000 2.623 235 V HA 0.986 5.106 4.120 -0.000 0.000 0.304 235 V C 0.500 176.198 176.094 -0.660 0.000 1.054 235 V CA 0.279 62.324 62.300 -0.426 0.000 0.882 235 V CB 1.221 32.938 31.823 -0.177 0.000 1.002 235 V HN 1.455 nan 8.190 nan 0.000 0.424 236 G N 2.437 110.886 108.800 -0.585 0.000 2.340 236 G HA2 0.379 4.339 3.960 -0.000 0.000 0.299 236 G HA3 0.379 4.339 3.960 -0.000 0.000 0.299 236 G C -1.704 173.072 174.900 -0.207 0.000 1.291 236 G CA -0.586 44.190 45.100 -0.540 0.000 0.841 236 G HN 0.474 nan 8.290 nan 0.000 0.500 237 D N 0.952 121.323 120.400 -0.048 0.000 2.545 237 D HA 0.322 4.962 4.640 -0.000 0.000 0.227 237 D C 0.442 176.796 176.300 0.091 0.000 1.150 237 D CA 0.097 54.119 54.000 0.037 0.000 1.046 237 D CB -0.589 40.251 40.800 0.067 0.000 1.098 237 D HN 0.319 nan 8.370 nan 0.000 0.502 238 L N 2.346 123.609 121.223 0.067 0.000 2.325 238 L HA 0.414 4.754 4.340 -0.000 0.000 0.279 238 L C 0.777 177.752 176.870 0.175 0.000 1.054 238 L CA -0.752 54.175 54.840 0.145 0.000 0.804 238 L CB 1.296 43.437 42.059 0.137 0.000 1.200 238 L HN 0.046 nan 8.230 nan 0.000 0.436 239 E N 2.082 122.389 120.200 0.178 0.000 2.263 239 E HA 0.508 4.858 4.350 -0.000 0.000 0.264 239 E C -1.453 175.226 176.600 0.132 0.000 0.923 239 E CA -0.587 55.896 56.400 0.139 0.000 0.802 239 E CB 3.153 32.899 29.700 0.076 0.000 1.228 239 E HN 0.343 nan 8.360 nan 0.000 0.417 240 F N 0.730 120.603 119.950 -0.128 0.000 2.561 240 F HA 0.447 4.974 4.527 -0.000 0.000 0.313 240 F C -1.080 174.584 175.800 -0.227 0.000 1.126 240 F CA -0.522 57.271 58.000 -0.345 0.000 0.918 240 F CB 1.349 39.999 39.000 -0.583 0.000 1.199 240 F HN 0.148 nan 8.300 nan 0.000 0.444 241 K N 4.822 124.592 120.400 -1.050 0.000 2.422 241 K HA 0.797 5.117 4.320 -0.000 0.000 0.251 241 K C -0.830 175.029 176.600 -1.236 0.000 0.933 241 K CA -1.029 54.785 56.287 -0.789 0.000 0.798 241 K CB 2.252 34.521 32.500 -0.386 0.000 1.238 241 K HN 0.701 nan 8.250 nan 0.000 0.428 242 A N 1.971 124.320 122.820 -0.784 0.000 2.301 242 A HA 0.564 4.884 4.320 -0.000 0.000 0.287 242 A C 0.464 177.898 177.584 -0.250 0.000 1.274 242 A CA -0.116 51.639 52.037 -0.471 0.000 0.865 242 A CB 0.518 19.478 19.000 -0.067 0.000 1.324 242 A HN 0.867 nan 8.150 nan 0.000 0.508 243 M N -1.279 118.244 119.600 -0.128 0.000 2.049 243 M HA 0.112 4.592 4.480 -0.000 0.000 0.223 243 M C 0.744 177.035 176.300 -0.016 0.000 1.356 243 M CA 0.765 56.026 55.300 -0.065 0.000 1.017 243 M CB 0.433 33.007 32.600 -0.043 0.000 1.639 243 M HN 0.831 nan 8.290 nan 0.000 0.583 244 S N -0.932 114.762 115.700 -0.010 0.000 2.874 244 S HA 0.328 4.798 4.470 -0.000 0.000 0.318 244 S C 0.745 175.366 174.600 0.035 0.000 1.109 244 S CA -0.559 57.652 58.200 0.017 0.000 0.878 244 S CB 0.142 63.311 63.200 -0.051 0.000 1.307 244 S HN 0.464 nan 8.310 nan 0.000 0.592 245 H N 0.239 119.347 119.070 0.063 0.000 2.495 245 H HA 0.099 4.655 4.556 -0.000 0.000 0.287 245 H C 0.999 176.388 175.328 0.103 0.000 1.033 245 H CA 1.346 57.440 56.048 0.076 0.000 1.307 245 H CB -0.166 29.636 29.762 0.066 0.000 1.401 245 H HN 0.828 nan 8.280 nan 0.000 0.555 246 Q N 1.099 120.668 119.800 -0.385 0.000 2.084 246 Q HA 0.213 4.553 4.340 -0.000 0.000 0.230 246 Q C -0.551 175.428 176.000 -0.035 0.000 0.806 246 Q CA -0.206 55.521 55.803 -0.127 0.000 1.083 246 Q CB 0.798 29.450 28.738 -0.143 0.000 1.208 246 Q HN 0.279 nan 8.270 nan 0.000 0.462 247 T N -2.680 111.854 114.554 -0.033 0.000 2.921 247 T HA 0.821 5.171 4.350 -0.000 0.000 0.297 247 T C -0.086 174.615 174.700 0.003 0.000 1.013 247 T CA -0.190 61.921 62.100 0.018 0.000 0.990 247 T CB 1.863 70.744 68.868 0.023 0.000 1.023 247 T HN 0.293 nan 8.240 nan 0.000 0.447 248 G N 1.690 110.490 108.800 -0.001 0.000 2.749 248 G HA2 0.755 4.714 3.960 -0.000 0.000 0.300 248 G HA3 0.755 4.714 3.960 -0.000 0.000 0.300 248 G C -1.741 173.030 174.900 -0.215 0.000 1.352 248 G CA -1.050 43.925 45.100 -0.208 0.000 0.789 248 G HN 0.900 nan 8.290 nan 0.000 0.509 249 I N -0.601 119.681 120.570 -0.481 0.000 2.730 249 I HA 0.463 4.633 4.170 -0.000 0.000 0.298 249 I C -1.558 174.362 176.117 -0.328 0.000 1.089 249 I CA -0.821 60.325 61.300 -0.257 0.000 1.041 249 I CB 2.677 40.575 38.000 -0.169 0.000 1.235 249 I HN 0.408 nan 8.210 nan 0.000 0.423 250 Y N 3.326 123.622 120.300 -0.007 0.000 2.376 250 Y HA 0.833 5.383 4.550 -0.000 0.000 0.340 250 Y C 0.210 176.098 175.900 -0.020 0.000 0.965 250 Y CA -0.397 57.733 58.100 0.050 0.000 1.078 250 Y CB 2.146 40.633 38.460 0.046 0.000 1.193 250 Y HN 0.696 nan 8.280 nan 0.000 0.452 251 A N 1.548 124.452 122.820 0.140 0.000 2.467 251 A HA 0.495 4.815 4.320 -0.000 0.000 0.301 251 A C -0.815 176.837 177.584 0.114 0.000 1.126 251 A CA -0.926 51.157 52.037 0.076 0.000 0.632 251 A CB 0.910 19.880 19.000 -0.051 0.000 1.331 251 A HN 0.704 nan 8.150 nan 0.000 0.482 252 E N 0.739 121.020 120.200 0.136 0.000 2.349 252 E HA 0.369 4.719 4.350 -0.000 0.000 0.201 252 E C 0.244 176.979 176.600 0.225 0.000 1.087 252 E CA 0.427 56.969 56.400 0.237 0.000 1.128 252 E CB 0.003 29.927 29.700 0.373 0.000 1.188 252 E HN 0.655 nan 8.360 nan 0.000 0.445 253 S N -0.611 115.135 115.700 0.077 0.000 1.539 253 S HA -0.374 4.096 4.470 -0.000 0.000 0.239 253 S C 1.332 175.957 174.600 0.042 0.000 0.755 253 S CA 1.910 60.144 58.200 0.057 0.000 1.322 253 S CB -1.412 61.845 63.200 0.094 0.000 1.628 253 S HN 0.674 nan 8.310 nan 0.000 0.515 254 Y N 1.378 121.685 120.300 0.013 0.000 2.165 254 Y HA 0.185 4.735 4.550 -0.000 0.000 0.286 254 Y C 2.023 177.925 175.900 0.004 0.000 1.155 254 Y CA 1.735 59.840 58.100 0.008 0.000 1.164 254 Y CB -0.418 38.047 38.460 0.009 0.000 0.978 254 Y HN 0.510 nan 8.280 nan 0.000 0.513 255 I N -0.592 119.346 120.570 -1.053 0.000 3.968 255 I HA 0.005 4.174 4.170 -0.000 0.000 0.328 255 I C 1.718 177.600 176.117 -0.392 0.000 1.290 255 I CA 0.159 60.940 61.300 -0.864 0.000 1.163 255 I CB 0.002 37.230 38.000 -1.287 0.000 1.024 255 I HN 0.337 nan 8.210 nan 0.000 0.413 256 L N 1.266 122.323 121.223 -0.277 0.000 1.944 256 L HA -0.270 4.070 4.340 -0.000 0.000 0.218 256 L C 1.858 178.647 176.870 -0.135 0.000 1.075 256 L CA 2.165 56.909 54.840 -0.160 0.000 0.767 256 L CB -0.926 41.070 42.059 -0.104 0.000 0.890 256 L HN 0.230 nan 8.230 nan 0.000 0.434 257 D N -0.743 119.589 120.400 -0.113 0.000 2.310 257 D HA -0.069 4.571 4.640 -0.000 0.000 0.212 257 D C 1.995 178.232 176.300 -0.105 0.000 0.965 257 D CA 1.148 55.089 54.000 -0.098 0.000 0.879 257 D CB 0.113 40.871 40.800 -0.070 0.000 0.921 257 D HN 0.526 nan 8.370 nan 0.000 0.510 258 A N 0.772 123.520 122.820 -0.121 0.000 1.930 258 A HA 0.141 4.460 4.320 -0.000 0.000 0.215 258 A C 2.283 179.765 177.584 -0.170 0.000 1.176 258 A CA 1.372 53.333 52.037 -0.126 0.000 0.632 258 A CB -0.315 18.614 19.000 -0.117 0.000 0.819 258 A HN 0.198 nan 8.150 nan 0.000 0.445 259 A N -0.515 122.218 122.820 -0.144 0.000 1.930 259 A HA 0.050 4.370 4.320 -0.000 0.000 0.217 259 A C 2.121 179.650 177.584 -0.092 0.000 1.175 259 A CA 1.650 53.633 52.037 -0.090 0.000 0.627 259 A CB -0.726 18.314 19.000 0.066 0.000 0.815 259 A HN 0.343 nan 8.150 nan 0.000 0.443 260 V N -0.349 119.515 119.914 -0.083 0.000 2.667 260 V HA -0.147 3.973 4.120 -0.000 0.000 0.252 260 V C 2.868 178.905 176.094 -0.095 0.000 1.065 260 V CA 1.599 63.856 62.300 -0.071 0.000 1.083 260 V CB -0.775 30.983 31.823 -0.109 0.000 0.692 260 V HN 0.589 nan 8.190 nan 0.000 0.468 261 A N -0.425 122.315 122.820 -0.132 0.000 2.067 261 A HA -0.124 4.196 4.320 -0.000 0.000 0.217 261 A C 2.128 179.598 177.584 -0.189 0.000 1.156 261 A CA 1.556 53.516 52.037 -0.128 0.000 0.683 261 A CB -0.198 18.735 19.000 -0.111 0.000 0.808 261 A HN 0.516 nan 8.150 nan 0.000 0.455 262 E N -1.432 118.548 120.200 -0.367 0.000 2.276 262 E HA 0.119 4.469 4.350 -0.000 0.000 0.193 262 E C 0.168 176.389 176.600 -0.631 0.000 0.983 262 E CA 0.627 56.668 56.400 -0.598 0.000 0.861 262 E CB 0.001 29.052 29.700 -1.083 0.000 0.817 262 E HN 0.551 nan 8.360 nan 0.000 0.485 263 F N 0.453 120.420 119.950 0.028 0.000 2.764 263 F HA 0.209 4.736 4.527 -0.000 0.000 0.310 263 F C 0.460 176.287 175.800 0.045 0.000 1.124 263 F CA -0.529 57.505 58.000 0.058 0.000 1.252 263 F CB 0.334 39.367 39.000 0.055 0.000 1.010 263 F HN -0.067 nan 8.300 nan 0.000 0.518 264 D N -1.050 119.407 120.400 0.094 0.000 2.348 264 D HA -0.103 4.537 4.640 -0.000 0.000 0.248 264 D C 0.646 176.985 176.300 0.066 0.000 1.142 264 D CA 0.549 54.585 54.000 0.061 0.000 0.904 264 D CB -0.283 40.521 40.800 0.007 0.000 0.901 264 D HN 0.257 nan 8.370 nan 0.000 0.523 265 D N -0.347 120.123 120.400 0.117 0.000 2.449 265 D HA -0.065 4.575 4.640 -0.000 0.000 0.210 265 D C 1.952 178.324 176.300 0.120 0.000 1.094 265 D CA 0.743 54.799 54.000 0.094 0.000 0.846 265 D CB 0.390 41.275 40.800 0.140 0.000 1.003 265 D HN 0.390 nan 8.370 nan 0.000 0.504 266 T N -0.640 114.016 114.554 0.169 0.000 2.881 266 T HA -0.228 4.122 4.350 -0.000 0.000 0.270 266 T C 1.921 176.676 174.700 0.091 0.000 1.068 266 T CA 1.137 63.337 62.100 0.168 0.000 1.131 266 T CB 0.056 69.069 68.868 0.241 0.000 0.871 266 T HN -0.147 nan 8.240 nan 0.000 0.479 267 Q N 2.010 121.847 119.800 0.061 0.000 2.096 267 Q HA 0.083 4.422 4.340 -0.000 0.000 0.204 267 Q C 2.460 178.475 176.000 0.025 0.000 0.982 267 Q CA 2.179 57.993 55.803 0.019 0.000 0.850 267 Q CB -1.179 27.570 28.738 0.018 0.000 0.901 267 Q HN 0.693 nan 8.270 nan 0.000 0.422 268 A N 0.052 122.888 122.820 0.026 0.000 1.908 268 A HA -0.213 4.107 4.320 -0.000 0.000 0.218 268 A C 2.166 179.758 177.584 0.012 0.000 1.181 268 A CA 1.913 53.953 52.037 0.005 0.000 0.627 268 A CB -0.645 18.335 19.000 -0.033 0.000 0.818 268 A HN 0.526 nan 8.150 nan 0.000 0.445 269 M N -0.826 118.799 119.600 0.041 0.000 2.144 269 M HA -0.151 4.329 4.480 -0.000 0.000 0.260 269 M C 1.906 178.212 176.300 0.010 0.000 1.067 269 M CA 1.622 56.949 55.300 0.045 0.000 1.095 269 M CB -0.480 32.168 32.600 0.081 0.000 1.365 269 M HN 0.411 nan 8.290 nan 0.000 0.406 270 I N -0.615 119.954 120.570 -0.001 0.000 2.716 270 I HA -0.188 3.982 4.170 -0.000 0.000 0.259 270 I C 1.543 177.691 176.117 0.052 0.000 1.172 270 I CA 0.629 61.932 61.300 0.005 0.000 1.478 270 I CB -0.363 37.579 38.000 -0.097 0.000 1.104 270 I HN 0.229 nan 8.210 nan 0.000 0.439 271 D N 0.939 121.360 120.400 0.035 0.000 2.183 271 D HA -0.081 4.559 4.640 -0.000 0.000 0.205 271 D C 2.063 178.366 176.300 0.005 0.000 0.962 271 D CA 0.790 54.817 54.000 0.044 0.000 0.849 271 D CB -0.036 40.792 40.800 0.046 0.000 0.978 271 D HN 0.115 nan 8.370 nan 0.000 0.488 272 K N 1.107 121.493 120.400 -0.024 0.000 2.155 272 K HA 0.078 4.398 4.320 -0.000 0.000 0.203 272 K C 1.975 178.497 176.600 -0.130 0.000 1.052 272 K CA 0.513 56.760 56.287 -0.067 0.000 0.948 272 K CB -0.253 32.210 32.500 -0.062 0.000 0.728 272 K HN 0.034 nan 8.250 nan 0.000 0.448 273 A N 1.200 123.946 122.820 -0.123 0.000 1.969 273 A HA -0.132 4.188 4.320 -0.000 0.000 0.218 273 A C 2.024 179.448 177.584 -0.266 0.000 1.169 273 A CA 1.284 53.170 52.037 -0.252 0.000 0.635 273 A CB -0.255 18.615 19.000 -0.217 0.000 0.810 273 A HN 0.330 nan 8.150 nan 0.000 0.445 274 E N -0.508 119.669 120.200 -0.038 0.000 2.152 274 E HA -0.166 4.184 4.350 -0.000 0.000 0.192 274 E C 2.191 178.799 176.600 0.012 0.000 0.983 274 E CA 0.820 57.279 56.400 0.099 0.000 0.818 274 E CB -0.105 29.712 29.700 0.195 0.000 0.758 274 E HN 0.700 nan 8.360 nan 0.000 0.467 275 Q N -0.245 119.524 119.800 -0.052 0.000 2.135 275 Q HA -0.185 4.155 4.340 -0.000 0.000 0.204 275 Q C 2.198 178.133 176.000 -0.109 0.000 0.981 275 Q CA 1.805 57.571 55.803 -0.062 0.000 0.856 275 Q CB -0.024 28.669 28.738 -0.074 0.000 0.902 275 Q HN 0.444 nan 8.270 nan 0.000 0.425 276 M N -3.428 116.017 119.600 -0.258 0.000 2.653 276 M HA 0.086 4.566 4.480 -0.000 0.000 0.259 276 M C 0.856 177.013 176.300 -0.239 0.000 1.244 276 M CA 0.957 56.038 55.300 -0.365 0.000 1.163 276 M CB 0.075 32.289 32.600 -0.643 0.000 1.309 276 M HN 0.024 nan 8.290 nan 0.000 0.509 277 Y N 2.067 122.301 120.300 -0.110 0.000 2.457 277 Y HA 0.524 5.074 4.550 -0.000 0.000 0.263 277 Y C 1.227 177.184 175.900 0.095 0.000 1.164 277 Y CA -0.111 57.916 58.100 -0.121 0.000 1.274 277 Y CB 0.550 38.737 38.460 -0.456 0.000 1.097 277 Y HN 0.516 nan 8.280 nan 0.000 0.523 278 G N 1.468 110.432 108.800 0.275 0.000 2.525 278 G HA2 -0.204 3.756 3.960 -0.000 0.000 0.685 278 G HA3 -0.204 3.756 3.960 -0.000 0.000 0.685 278 G C -1.194 173.977 174.900 0.451 0.000 1.290 278 G CA -0.959 44.350 45.100 0.348 0.000 0.915 278 G HN 0.162 nan 8.290 nan 0.000 0.548 279 K N -0.706 119.889 120.400 0.326 0.000 2.355 279 K HA 0.414 4.734 4.320 -0.000 0.000 0.270 279 K C -0.047 176.751 176.600 0.332 0.000 1.003 279 K CA -0.552 55.916 56.287 0.302 0.000 0.957 279 K CB 0.362 32.951 32.500 0.148 0.000 0.939 279 K HN 0.793 nan 8.250 nan 0.000 0.482 280 Y N 4.454 124.884 120.300 0.217 0.000 2.620 280 Y HA 0.106 4.655 4.550 -0.000 0.000 0.352 280 Y C 0.204 176.042 175.900 -0.104 0.000 1.140 280 Y CA 0.029 58.116 58.100 -0.021 0.000 1.529 280 Y CB 0.153 38.701 38.460 0.146 0.000 1.321 280 Y HN 0.644 nan 8.280 nan 0.000 0.501 281 R N 3.142 123.295 120.500 -0.578 0.000 2.366 281 R HA -0.123 4.217 4.340 -0.000 0.000 0.201 281 R C -0.078 175.752 176.300 -0.783 0.000 1.057 281 R CA 0.956 56.683 56.100 -0.621 0.000 1.086 281 R CB -0.103 29.752 30.300 -0.741 0.000 0.914 281 R HN 0.746 nan 8.270 nan 0.000 0.476 282 W N -1.163 119.755 121.300 -0.637 0.000 3.127 282 W HA 0.340 5.000 4.660 -0.000 0.000 0.344 282 W C 1.538 178.005 176.519 -0.087 0.000 1.151 282 W CA 0.276 57.384 57.345 -0.394 0.000 1.765 282 W CB 0.426 29.565 29.460 -0.535 0.000 1.085 282 W HN 0.198 nan 8.180 nan 0.000 0.596 283 G N 1.347 110.281 108.800 0.223 0.000 4.754 283 G HA2 -0.389 3.571 3.960 -0.000 0.000 0.222 283 G HA3 -0.389 3.571 3.960 -0.000 0.000 0.222 283 G C 0.605 175.768 174.900 0.438 0.000 1.377 283 G CA 0.762 46.052 45.100 0.318 0.000 0.942 283 G HN 0.333 nan 8.290 nan 0.000 0.671 284 R N -0.871 119.899 120.500 0.450 0.000 2.854 284 R HA 0.698 5.038 4.340 -0.000 0.000 0.271 284 R C -1.565 175.043 176.300 0.513 0.000 0.996 284 R CA -0.924 55.398 56.100 0.369 0.000 0.961 284 R CB 1.434 31.880 30.300 0.243 0.000 1.182 284 R HN 0.647 nan 8.270 nan 0.000 0.479 285 Y N 2.446 122.865 120.300 0.199 0.000 2.317 285 Y HA 0.404 4.954 4.550 -0.000 0.000 0.325 285 Y C -1.706 174.264 175.900 0.118 0.000 1.066 285 Y CA -0.943 57.253 58.100 0.160 0.000 1.203 285 Y CB 1.288 39.718 38.460 -0.050 0.000 1.127 285 Y HN 0.742 nan 8.280 nan 0.000 0.451 286 D N 3.951 124.143 120.400 -0.348 0.000 2.449 286 D HA 0.545 5.185 4.640 -0.000 0.000 0.250 286 D C -1.389 174.674 176.300 -0.396 0.000 1.050 286 D CA -0.392 53.480 54.000 -0.214 0.000 1.024 286 D CB 2.378 43.285 40.800 0.179 0.000 1.218 286 D HN 0.371 nan 8.370 nan 0.000 0.566 287 L N 0.891 122.005 121.223 -0.182 0.000 2.385 287 L HA 0.404 4.743 4.340 -0.000 0.000 0.273 287 L C -1.050 175.771 176.870 -0.081 0.000 0.990 287 L CA -0.799 53.914 54.840 -0.212 0.000 0.821 287 L CB 1.634 43.530 42.059 -0.272 0.000 1.279 287 L HN 0.196 nan 8.230 nan 0.000 0.412 288 L N 4.674 125.790 121.223 -0.177 0.000 2.345 288 L HA 0.603 4.943 4.340 -0.000 0.000 0.274 288 L C -0.933 175.751 176.870 -0.309 0.000 0.999 288 L CA -0.485 54.214 54.840 -0.235 0.000 0.849 288 L CB 1.099 42.835 42.059 -0.538 0.000 1.220 288 L HN 0.404 nan 8.230 nan 0.000 0.422 289 M N 5.376 124.861 119.600 -0.191 0.000 2.184 289 M HA 0.285 4.765 4.480 -0.000 0.000 0.351 289 M C -0.418 175.705 176.300 -0.295 0.000 1.395 289 M CA -0.095 55.081 55.300 -0.208 0.000 1.117 289 M CB 0.634 33.165 32.600 -0.114 0.000 1.708 289 M HN 0.469 nan 8.290 nan 0.000 0.468 290 L N 6.425 127.380 121.223 -0.447 0.000 2.400 290 L HA 0.605 4.945 4.340 -0.000 0.000 0.264 290 L C -1.766 174.853 176.870 -0.418 0.000 1.061 290 L CA -1.375 53.076 54.840 -0.649 0.000 0.799 290 L CB 0.247 41.701 42.059 -1.008 0.000 1.240 290 L HN 0.488 nan 8.230 nan 0.000 0.461 291 P HA 0.184 nan 4.420 nan 0.000 0.274 291 P C -2.351 174.926 177.300 -0.039 0.000 1.246 291 P CA -1.577 61.408 63.100 -0.192 0.000 0.795 291 P CB 0.030 31.593 31.700 -0.228 0.000 1.006 292 P HA -0.183 nan 4.420 nan 0.000 0.222 292 P C 1.636 178.991 177.300 0.093 0.000 1.139 292 P CA 1.584 64.719 63.100 0.058 0.000 0.790 292 P CB -0.180 31.543 31.700 0.039 0.000 0.757 293 S N -1.921 113.859 115.700 0.134 0.000 2.489 293 S HA -0.053 4.416 4.470 -0.000 0.000 0.228 293 S C 0.656 175.437 174.600 0.301 0.000 0.995 293 S CA -0.402 57.929 58.200 0.219 0.000 0.934 293 S CB -0.921 62.431 63.200 0.253 0.000 0.771 293 S HN -0.040 nan 8.310 nan 0.000 0.522 294 F N 4.716 124.715 119.950 0.082 0.000 2.580 294 F HA 0.172 4.699 4.527 -0.000 0.000 0.398 294 F C -1.118 174.733 175.800 0.084 0.000 1.023 294 F CA -2.241 55.804 58.000 0.075 0.000 1.188 294 F CB 0.732 39.662 39.000 -0.116 0.000 1.005 294 F HN 0.139 nan 8.300 nan 0.000 0.546 295 P HA -0.184 nan 4.420 nan 0.000 0.217 295 P C 0.357 177.313 177.300 -0.572 0.000 1.150 295 P CA 1.516 64.397 63.100 -0.366 0.000 0.832 295 P CB 0.086 31.599 31.700 -0.312 0.000 0.787 296 F N -0.643 118.660 119.950 -1.077 0.000 2.456 296 F HA 0.556 5.083 4.527 -0.000 0.000 0.364 296 F C 2.313 177.898 175.800 -0.359 0.000 1.092 296 F CA -0.141 57.443 58.000 -0.693 0.000 1.125 296 F CB -0.688 37.941 39.000 -0.618 0.000 1.543 296 F HN -0.260 nan 8.300 nan 0.000 0.504 297 G N -1.326 107.574 108.800 0.166 0.000 2.656 297 G HA2 0.457 4.417 3.960 -0.000 0.000 0.211 297 G HA3 0.457 4.417 3.960 -0.000 0.000 0.211 297 G C 0.125 175.279 174.900 0.424 0.000 1.137 297 G CA 0.450 45.694 45.100 0.241 0.000 0.802 297 G HN 0.963 nan 8.290 nan 0.000 0.527 298 G N -0.624 108.497 108.800 0.535 0.000 2.429 298 G HA2 0.410 4.370 3.960 -0.000 0.000 0.300 298 G HA3 0.410 4.370 3.960 -0.000 0.000 0.300 298 G C -1.666 173.459 174.900 0.375 0.000 1.598 298 G CA -0.669 44.735 45.100 0.506 0.000 0.863 298 G HN 0.036 nan 8.290 nan 0.000 0.614 299 M N 2.178 121.934 119.600 0.259 0.000 2.294 299 M HA 0.335 4.815 4.480 -0.000 0.000 0.335 299 M C 0.624 176.943 176.300 0.032 0.000 1.079 299 M CA -1.356 53.981 55.300 0.062 0.000 0.982 299 M CB 1.518 34.051 32.600 -0.111 0.000 1.651 299 M HN 0.700 nan 8.290 nan 0.000 0.437 300 E N 3.065 123.266 120.200 0.002 0.000 2.467 300 E HA 0.045 4.395 4.350 -0.000 0.000 0.321 300 E C -1.040 175.490 176.600 -0.117 0.000 1.388 300 E CA 0.012 56.409 56.400 -0.004 0.000 1.508 300 E CB -1.164 28.509 29.700 -0.044 0.000 1.250 300 E HN 0.557 nan 8.360 nan 0.000 0.500 301 N N 3.929 122.562 118.700 -0.111 0.000 2.442 301 N HA 0.104 4.843 4.740 -0.000 0.000 0.265 301 N C -2.360 173.061 175.510 -0.148 0.000 1.138 301 N CA -1.446 51.501 53.050 -0.172 0.000 0.956 301 N CB 0.693 39.074 38.487 -0.177 0.000 1.067 301 N HN 0.248 nan 8.380 nan 0.000 0.474 302 P HA -0.166 nan 4.420 nan 0.000 0.259 302 P C -0.239 176.972 177.300 -0.148 0.000 1.163 302 P CA 0.690 63.514 63.100 -0.461 0.000 0.760 302 P CB 0.507 31.766 31.700 -0.735 0.000 0.762 303 R N -0.594 119.896 120.500 -0.018 0.000 3.862 303 R HA -0.162 4.178 4.340 -0.000 0.000 0.470 303 R C 0.254 176.590 176.300 0.060 0.000 0.879 303 R CA 1.036 57.219 56.100 0.138 0.000 1.508 303 R CB -1.306 29.077 30.300 0.138 0.000 2.170 303 R HN 0.434 nan 8.270 nan 0.000 0.496 304 L N 1.393 122.629 121.223 0.022 0.000 2.595 304 L HA 0.361 4.701 4.340 -0.000 0.000 0.259 304 L C -0.936 175.992 176.870 0.097 0.000 1.033 304 L CA -0.007 54.838 54.840 0.009 0.000 0.901 304 L CB 1.898 43.973 42.059 0.026 0.000 1.151 304 L HN 0.010 nan 8.230 nan 0.000 0.453 305 S N 3.942 119.637 115.700 -0.008 0.000 2.513 305 S HA 0.513 4.983 4.470 -0.000 0.000 0.276 305 S C -0.350 174.323 174.600 0.121 0.000 1.254 305 S CA -0.228 58.029 58.200 0.095 0.000 1.053 305 S CB 0.427 63.678 63.200 0.085 0.000 0.958 305 S HN 0.314 nan 8.310 nan 0.000 0.491 306 F N 3.999 123.825 119.950 -0.206 0.000 2.413 306 F HA 0.374 4.901 4.527 -0.000 0.000 0.359 306 F C 0.313 175.846 175.800 -0.445 0.000 1.122 306 F CA -1.051 56.702 58.000 -0.411 0.000 1.160 306 F CB 0.122 38.767 39.000 -0.593 0.000 1.146 306 F HN 0.274 nan 8.300 nan 0.000 0.514 307 I N 2.140 122.540 120.570 -0.283 0.000 2.493 307 I HA 0.174 4.344 4.170 -0.000 0.000 0.298 307 I C 0.561 176.581 176.117 -0.163 0.000 0.998 307 I CA -0.614 60.583 61.300 -0.171 0.000 1.137 307 I CB 1.667 39.547 38.000 -0.200 0.000 1.310 307 I HN 0.334 nan 8.210 nan 0.000 0.445 308 T N 6.811 121.412 114.554 0.079 0.000 2.919 308 T HA 0.215 4.565 4.350 -0.000 0.000 0.302 308 T C -1.257 173.495 174.700 0.088 0.000 1.031 308 T CA -1.238 60.952 62.100 0.150 0.000 1.127 308 T CB 0.938 69.965 68.868 0.265 0.000 0.952 308 T HN 0.471 nan 8.240 nan 0.000 0.540 309 P HA -0.037 nan 4.420 nan 0.000 0.226 309 P C 1.330 178.694 177.300 0.107 0.000 1.153 309 P CA 0.884 64.038 63.100 0.090 0.000 0.777 309 P CB -0.304 31.461 31.700 0.110 0.000 0.794 310 T N -2.209 112.404 114.554 0.098 0.000 3.025 310 T HA -0.056 4.294 4.350 -0.000 0.000 0.270 310 T C 1.593 176.352 174.700 0.099 0.000 1.126 310 T CA 1.125 63.276 62.100 0.085 0.000 1.105 310 T CB -1.266 67.635 68.868 0.055 0.000 0.884 310 T HN 0.096 nan 8.240 nan 0.000 0.522 311 V N -1.812 118.185 119.914 0.138 0.000 3.650 311 V HA 0.418 4.538 4.120 -0.000 0.000 0.271 311 V C 1.006 177.201 176.094 0.168 0.000 1.281 311 V CA -0.471 61.933 62.300 0.174 0.000 1.120 311 V CB -0.370 31.600 31.823 0.246 0.000 0.856 311 V HN 0.281 nan 8.190 nan 0.000 0.443 312 V N 2.269 122.263 119.914 0.133 0.000 2.229 312 V HA 0.537 4.657 4.120 -0.000 0.000 0.245 312 V C 1.618 177.708 176.094 -0.006 0.000 1.243 312 V CA 0.841 63.146 62.300 0.009 0.000 1.176 312 V CB -0.318 31.506 31.823 0.001 0.000 1.323 312 V HN 0.509 nan 8.190 nan 0.000 0.499 313 A N 2.930 125.740 122.820 -0.018 0.000 1.984 313 A HA 0.478 4.798 4.320 -0.000 0.000 0.214 313 A C 2.036 179.605 177.584 -0.024 0.000 1.173 313 A CA 1.093 53.126 52.037 -0.007 0.000 0.673 313 A CB -0.090 18.912 19.000 0.003 0.000 0.830 313 A HN 1.434 nan 8.150 nan 0.000 0.453 314 G N -0.303 108.464 108.800 -0.054 0.000 2.201 314 G HA2 -0.238 3.722 3.960 -0.000 0.000 0.212 314 G HA3 -0.238 3.722 3.960 -0.000 0.000 0.212 314 G C 0.234 175.116 174.900 -0.030 0.000 0.994 314 G CA 0.978 46.050 45.100 -0.047 0.000 0.644 314 G HN 0.843 nan 8.290 nan 0.000 0.508 315 D N -0.682 119.709 120.400 -0.015 0.000 2.520 315 D HA 0.290 4.930 4.640 -0.000 0.000 0.223 315 D C 1.044 177.366 176.300 0.036 0.000 1.186 315 D CA 0.338 54.349 54.000 0.017 0.000 0.821 315 D CB -0.083 40.739 40.800 0.037 0.000 1.072 315 D HN 0.392 nan 8.370 nan 0.000 0.518 316 K N -0.132 120.273 120.400 0.008 0.000 3.281 316 K HA -0.216 4.104 4.320 -0.000 0.000 0.295 316 K C 1.033 177.652 176.600 0.033 0.000 1.233 316 K CA 0.878 57.185 56.287 0.033 0.000 0.866 316 K CB -2.157 30.413 32.500 0.117 0.000 1.265 316 K HN 0.396 nan 8.250 nan 0.000 0.482 317 S N -0.081 115.643 115.700 0.040 0.000 2.395 317 S HA -0.027 4.443 4.470 -0.000 0.000 0.225 317 S C 1.316 175.932 174.600 0.028 0.000 1.027 317 S CA 0.360 58.599 58.200 0.064 0.000 0.965 317 S CB 0.104 63.327 63.200 0.038 0.000 0.812 317 S HN 0.206 nan 8.310 nan 0.000 0.482 318 L N 2.050 123.289 121.223 0.027 0.000 2.653 318 L HA 0.364 4.704 4.340 -0.000 0.000 0.232 318 L C 1.680 178.620 176.870 0.117 0.000 1.169 318 L CA -0.001 54.869 54.840 0.050 0.000 0.951 318 L CB -1.296 40.800 42.059 0.061 0.000 1.181 318 L HN 0.215 nan 8.230 nan 0.000 0.460 319 V N 1.565 121.547 119.914 0.113 0.000 2.913 319 V HA -0.202 3.918 4.120 -0.000 0.000 0.260 319 V C 2.270 178.451 176.094 0.144 0.000 1.098 319 V CA 1.256 63.668 62.300 0.188 0.000 1.121 319 V CB -0.567 31.348 31.823 0.154 0.000 0.714 319 V HN 0.677 nan 8.190 nan 0.000 0.487 320 N N 0.920 119.663 118.700 0.073 0.000 2.443 320 N HA -0.193 4.546 4.740 -0.000 0.000 0.184 320 N C 1.823 177.428 175.510 0.157 0.000 1.037 320 N CA 1.371 54.474 53.050 0.089 0.000 0.896 320 N CB -0.420 38.105 38.487 0.063 0.000 0.959 320 N HN 0.492 nan 8.380 nan 0.000 0.442 321 L N 1.106 122.425 121.223 0.160 0.000 2.012 321 L HA -0.084 4.255 4.340 -0.000 0.000 0.210 321 L C 2.078 179.089 176.870 0.236 0.000 1.073 321 L CA 1.523 56.484 54.840 0.202 0.000 0.748 321 L CB -0.488 41.674 42.059 0.171 0.000 0.891 321 L HN -0.004 nan 8.230 nan 0.000 0.431 322 I N 0.236 120.916 120.570 0.184 0.000 2.493 322 I HA -0.178 3.992 4.170 -0.000 0.000 0.254 322 I C 2.620 178.853 176.117 0.194 0.000 1.160 322 I CA 1.265 62.662 61.300 0.162 0.000 1.445 322 I CB -1.949 36.123 38.000 0.119 0.000 1.086 322 I HN 0.427 nan 8.210 nan 0.000 0.433 323 A N 0.239 123.179 122.820 0.200 0.000 1.968 323 A HA -0.236 4.084 4.320 -0.000 0.000 0.217 323 A C 2.250 179.948 177.584 0.189 0.000 1.169 323 A CA 1.471 53.612 52.037 0.174 0.000 0.638 323 A CB -0.912 18.190 19.000 0.170 0.000 0.812 323 A HN 0.481 nan 8.150 nan 0.000 0.446 324 H N -0.084 119.058 119.070 0.121 0.000 2.423 324 H HA -0.016 4.540 4.556 -0.000 0.000 0.297 324 H C 1.655 177.054 175.328 0.117 0.000 1.075 324 H CA 1.789 57.905 56.048 0.114 0.000 1.342 324 H CB 0.177 30.023 29.762 0.139 0.000 1.395 324 H HN 0.381 nan 8.280 nan 0.000 0.530 325 E N -0.050 120.206 120.200 0.093 0.000 2.318 325 E HA -0.038 4.312 4.350 -0.000 0.000 0.193 325 E C 2.194 178.858 176.600 0.107 0.000 0.998 325 E CA 0.133 56.600 56.400 0.113 0.000 0.859 325 E CB 0.016 29.862 29.700 0.243 0.000 0.812 325 E HN 0.489 nan 8.360 nan 0.000 0.492 326 L N 0.476 121.721 121.223 0.036 0.000 2.395 326 L HA 0.022 4.362 4.340 -0.000 0.000 0.218 326 L C 2.040 179.030 176.870 0.201 0.000 1.130 326 L CA 0.611 55.387 54.840 -0.108 0.000 0.826 326 L CB -0.109 41.826 42.059 -0.206 0.000 0.941 326 L HN 0.002 nan 8.230 nan 0.000 0.451 327 A N -1.159 121.755 122.820 0.156 0.000 1.929 327 A HA -0.214 4.105 4.320 -0.000 0.000 0.216 327 A C 1.937 179.661 177.584 0.233 0.000 1.176 327 A CA 0.930 53.103 52.037 0.227 0.000 0.628 327 A CB -0.654 18.401 19.000 0.091 0.000 0.816 327 A HN 0.486 nan 8.150 nan 0.000 0.444 328 H N 0.709 119.836 119.070 0.096 0.000 2.390 328 H HA -0.099 4.457 4.556 -0.000 0.000 0.298 328 H C 2.370 177.684 175.328 -0.024 0.000 1.106 328 H CA 1.481 57.543 56.048 0.023 0.000 1.297 328 H CB -0.477 29.260 29.762 -0.041 0.000 1.375 328 H HN 0.477 nan 8.280 nan 0.000 0.509 329 S N -0.377 115.363 115.700 0.066 0.000 2.448 329 S HA -0.222 4.248 4.470 -0.000 0.000 0.247 329 S C 1.716 176.087 174.600 -0.381 0.000 1.033 329 S CA 1.260 59.322 58.200 -0.230 0.000 1.003 329 S CB -0.153 62.846 63.200 -0.335 0.000 0.786 329 S HN 0.573 nan 8.310 nan 0.000 0.495 330 W N 0.675 121.844 121.300 -0.218 0.000 3.033 330 W HA 0.247 4.907 4.660 -0.000 0.000 0.250 330 W C 0.306 176.378 176.519 -0.746 0.000 1.105 330 W CA -0.010 56.904 57.345 -0.717 0.000 1.655 330 W CB -0.410 28.346 29.460 -1.172 0.000 1.001 330 W HN 0.143 nan 8.180 nan 0.000 0.653 331 S N 0.056 115.705 115.700 -0.085 0.000 2.461 331 S HA 0.596 5.066 4.470 -0.000 0.000 0.322 331 S C 0.494 175.221 174.600 0.212 0.000 1.063 331 S CA 0.198 58.455 58.200 0.096 0.000 1.120 331 S CB 1.230 64.621 63.200 0.318 0.000 0.968 331 S HN 0.473 nan 8.310 nan 0.000 0.467 332 G N 3.005 111.864 108.800 0.098 0.000 2.179 332 G HA2 -0.231 3.729 3.960 -0.000 0.000 0.220 332 G HA3 -0.231 3.729 3.960 -0.000 0.000 0.220 332 G C 0.331 175.252 174.900 0.035 0.000 0.990 332 G CA 0.239 45.408 45.100 0.116 0.000 0.646 332 G HN 0.629 nan 8.290 nan 0.000 0.517 333 N N -1.214 117.468 118.700 -0.029 0.000 2.575 333 N HA 0.296 5.036 4.740 -0.000 0.000 0.258 333 N C 1.701 177.262 175.510 0.084 0.000 1.019 333 N CA 0.472 53.473 53.050 -0.082 0.000 0.909 333 N CB -0.206 38.129 38.487 -0.253 0.000 1.728 333 N HN 0.167 nan 8.380 nan 0.000 0.604 334 L N 0.633 121.837 121.223 -0.032 0.000 2.127 334 L HA 0.288 4.628 4.340 -0.000 0.000 0.203 334 L C -0.522 176.158 176.870 -0.315 0.000 1.080 334 L CA 0.963 55.626 54.840 -0.296 0.000 0.768 334 L CB 0.378 42.091 42.059 -0.577 0.000 0.924 334 L HN -0.138 nan 8.230 nan 0.000 0.444 335 V N 0.277 120.046 119.914 -0.240 0.000 2.443 335 V HA 0.332 4.452 4.120 -0.000 0.000 0.293 335 V C -0.381 175.628 176.094 -0.143 0.000 1.021 335 V CA -0.601 61.574 62.300 -0.208 0.000 0.848 335 V CB 1.326 32.962 31.823 -0.311 0.000 0.998 335 V HN 0.318 nan 8.190 nan 0.000 0.424 336 T N 0.766 115.254 114.554 -0.110 0.000 2.887 336 T HA 0.506 4.856 4.350 -0.000 0.000 0.288 336 T C -0.266 174.354 174.700 -0.133 0.000 1.021 336 T CA -0.978 61.074 62.100 -0.079 0.000 1.000 336 T CB 1.342 70.200 68.868 -0.016 0.000 1.034 336 T HN 0.767 nan 8.240 nan 0.000 0.467 337 N N 1.256 119.857 118.700 -0.164 0.000 2.458 337 N HA 0.063 4.803 4.740 -0.000 0.000 0.258 337 N C 1.057 176.403 175.510 -0.274 0.000 1.219 337 N CA -0.489 52.426 53.050 -0.225 0.000 0.902 337 N CB 0.675 39.019 38.487 -0.237 0.000 1.076 337 N HN 0.866 nan 8.380 nan 0.000 0.455 338 E N 0.979 121.050 120.200 -0.215 0.000 2.152 338 E HA -0.113 4.237 4.350 -0.000 0.000 0.192 338 E C 0.110 176.510 176.600 -0.333 0.000 0.983 338 E CA 0.666 56.932 56.400 -0.223 0.000 0.818 338 E CB -0.032 29.605 29.700 -0.105 0.000 0.758 338 E HN 0.682 nan 8.360 nan 0.000 0.467 339 S N -1.171 114.332 115.700 -0.328 0.000 2.810 339 S HA 0.296 4.766 4.470 -0.000 0.000 0.315 339 S C -0.462 173.813 174.600 -0.542 0.000 1.138 339 S CA -1.040 56.900 58.200 -0.433 0.000 0.889 339 S CB 0.060 63.190 63.200 -0.116 0.000 1.236 339 S HN 0.355 nan 8.310 nan 0.000 0.548 340 W N 0.426 121.650 121.300 -0.126 0.000 3.345 340 W HA 0.347 5.007 4.660 -0.000 0.000 0.282 340 W C 2.050 178.504 176.519 -0.109 0.000 1.302 340 W CA -0.741 56.493 57.345 -0.186 0.000 1.724 340 W CB 0.184 29.440 29.460 -0.339 0.000 1.104 340 W HN 0.407 nan 8.180 nan 0.000 0.694 341 R N 0.007 120.590 120.500 0.139 0.000 2.290 341 R HA 0.017 4.357 4.340 -0.000 0.000 0.197 341 R C 0.302 176.820 176.300 0.363 0.000 0.913 341 R CA 0.686 56.876 56.100 0.149 0.000 1.040 341 R CB 0.025 30.349 30.300 0.039 0.000 0.992 341 R HN 0.262 nan 8.270 nan 0.000 0.500 342 D N 1.146 121.696 120.400 0.251 0.000 2.342 342 D HA -0.012 4.628 4.640 -0.000 0.000 0.221 342 D C 1.535 177.805 176.300 -0.051 0.000 1.101 342 D CA -0.094 53.998 54.000 0.152 0.000 0.837 342 D CB 0.491 41.296 40.800 0.009 0.000 0.938 342 D HN 0.024 nan 8.370 nan 0.000 0.508 343 L N 1.615 122.898 121.223 0.100 0.000 2.261 343 L HA -0.110 4.230 4.340 -0.000 0.000 0.216 343 L C 1.924 178.799 176.870 0.009 0.000 1.114 343 L CA 1.309 56.185 54.840 0.062 0.000 0.777 343 L CB -0.613 41.501 42.059 0.090 0.000 0.910 343 L HN 0.389 nan 8.230 nan 0.000 0.440 344 W N -0.627 120.657 121.300 -0.026 0.000 2.595 344 W HA -0.090 4.570 4.660 -0.000 0.000 0.257 344 W C 1.590 178.111 176.519 0.004 0.000 1.267 344 W CA -0.050 57.275 57.345 -0.033 0.000 1.300 344 W CB -1.123 28.339 29.460 0.003 0.000 1.120 344 W HN 0.095 nan 8.180 nan 0.000 0.618 345 L N 1.067 121.713 121.223 -0.962 0.000 2.465 345 L HA -0.113 4.227 4.340 -0.000 0.000 0.224 345 L C 2.041 178.702 176.870 -0.348 0.000 1.145 345 L CA 0.979 55.157 54.840 -1.102 0.000 0.834 345 L CB -0.598 40.779 42.059 -1.137 0.000 0.944 345 L HN 0.007 nan 8.230 nan 0.000 0.451 346 N N -0.743 117.851 118.700 -0.176 0.000 2.324 346 N HA -0.096 4.644 4.740 -0.000 0.000 0.192 346 N C 1.738 177.319 175.510 0.118 0.000 1.046 346 N CA 0.735 53.801 53.050 0.028 0.000 0.898 346 N CB 0.202 38.714 38.487 0.041 0.000 1.079 346 N HN -0.000 nan 8.380 nan 0.000 0.456 347 E N 0.216 120.410 120.200 -0.011 0.000 2.106 347 E HA -0.023 4.327 4.350 -0.000 0.000 0.192 347 E C 1.890 178.514 176.600 0.041 0.000 0.984 347 E CA 0.933 57.221 56.400 -0.187 0.000 0.806 347 E CB -0.888 28.161 29.700 -1.085 0.000 0.750 347 E HN 0.431 nan 8.360 nan 0.000 0.458 348 G N 1.140 110.025 108.800 0.142 0.000 2.639 348 G HA2 -0.286 3.674 3.960 -0.000 0.000 0.216 348 G HA3 -0.286 3.674 3.960 -0.000 0.000 0.216 348 G C 1.415 176.459 174.900 0.239 0.000 1.267 348 G CA 0.940 46.194 45.100 0.258 0.000 0.801 348 G HN 0.179 nan 8.290 nan 0.000 0.592 349 F N 1.248 121.259 119.950 0.102 0.000 2.154 349 F HA -0.105 4.422 4.527 -0.000 0.000 0.301 349 F C 3.210 179.150 175.800 0.232 0.000 1.087 349 F CA 1.820 59.909 58.000 0.148 0.000 1.274 349 F CB -0.743 38.335 39.000 0.130 0.000 1.009 349 F HN 0.078 nan 8.300 nan 0.000 0.485 350 T N -1.425 113.339 114.554 0.350 0.000 2.867 350 T HA -0.140 4.210 4.350 -0.000 0.000 0.268 350 T C 2.244 177.131 174.700 0.312 0.000 1.057 350 T CA 1.527 63.741 62.100 0.190 0.000 1.136 350 T CB -0.271 68.495 68.868 -0.172 0.000 0.874 350 T HN 0.172 nan 8.240 nan 0.000 0.466 351 S N 0.080 116.003 115.700 0.372 0.000 2.371 351 S HA -0.007 4.463 4.470 -0.000 0.000 0.224 351 S C 1.658 176.429 174.600 0.285 0.000 1.029 351 S CA 0.549 58.967 58.200 0.363 0.000 0.978 351 S CB -0.377 63.049 63.200 0.377 0.000 0.833 351 S HN 0.627 nan 8.310 nan 0.000 0.466 352 Y N 2.367 122.754 120.300 0.145 0.000 2.114 352 Y HA -0.173 4.376 4.550 -0.000 0.000 0.284 352 Y C 2.168 178.165 175.900 0.163 0.000 1.143 352 Y CA 1.409 59.570 58.100 0.102 0.000 1.135 352 Y CB -0.444 38.009 38.460 -0.010 0.000 0.980 352 Y HN 0.013 nan 8.280 nan 0.000 0.499 353 V N 1.101 121.178 119.914 0.272 0.000 2.515 353 V HA -0.262 3.858 4.120 -0.000 0.000 0.250 353 V C 2.324 178.528 176.094 0.183 0.000 1.058 353 V CA 2.056 64.523 62.300 0.278 0.000 1.064 353 V CB -0.714 31.281 31.823 0.287 0.000 0.675 353 V HN 0.547 nan 8.190 nan 0.000 0.461 354 E N 0.784 121.096 120.200 0.186 0.000 2.058 354 E HA -0.297 4.052 4.350 -0.000 0.000 0.194 354 E C 2.177 178.838 176.600 0.102 0.000 0.997 354 E CA 1.805 58.314 56.400 0.183 0.000 0.801 354 E CB -0.310 29.555 29.700 0.275 0.000 0.746 354 E HN 0.700 nan 8.360 nan 0.000 0.450 355 N N -0.062 118.665 118.700 0.044 0.000 2.084 355 N HA -0.172 4.568 4.740 -0.000 0.000 0.190 355 N C 1.991 177.472 175.510 -0.047 0.000 1.030 355 N CA 0.824 53.867 53.050 -0.013 0.000 0.849 355 N CB 0.021 38.477 38.487 -0.052 0.000 1.012 355 N HN 0.077 nan 8.380 nan 0.000 0.423 356 R N 1.185 121.619 120.500 -0.110 0.000 2.096 356 R HA -0.087 4.253 4.340 -0.000 0.000 0.240 356 R C 2.298 178.569 176.300 -0.048 0.000 1.139 356 R CA 0.793 56.831 56.100 -0.103 0.000 0.952 356 R CB -1.175 29.073 30.300 -0.087 0.000 0.854 356 R HN 0.440 nan 8.270 nan 0.000 0.436 357 I N 0.636 121.203 120.570 -0.005 0.000 2.423 357 I HA -0.268 3.901 4.170 -0.000 0.000 0.254 357 I C 2.121 178.285 176.117 0.078 0.000 1.151 357 I CA 0.938 62.246 61.300 0.014 0.000 1.421 357 I CB -0.148 37.884 38.000 0.054 0.000 1.079 357 I HN 0.081 nan 8.210 nan 0.000 0.431 358 M N -0.438 119.214 119.600 0.086 0.000 2.200 358 M HA -0.145 4.335 4.480 -0.000 0.000 0.265 358 M C 2.147 178.529 176.300 0.137 0.000 1.066 358 M CA 1.435 56.818 55.300 0.138 0.000 1.127 358 M CB -1.079 31.548 32.600 0.046 0.000 1.379 358 M HN 0.260 nan 8.290 nan 0.000 0.420 359 E N 0.289 120.515 120.200 0.045 0.000 2.047 359 E HA -0.110 4.239 4.350 -0.000 0.000 0.191 359 E C 2.006 178.616 176.600 0.018 0.000 0.987 359 E CA 1.181 57.591 56.400 0.017 0.000 0.799 359 E CB 0.172 29.856 29.700 -0.026 0.000 0.752 359 E HN 0.407 nan 8.360 nan 0.000 0.449 360 A N 0.695 123.513 122.820 -0.002 0.000 1.902 360 A HA -0.157 4.162 4.320 -0.000 0.000 0.217 360 A C 2.338 179.906 177.584 -0.027 0.000 1.181 360 A CA 1.969 53.989 52.037 -0.028 0.000 0.623 360 A CB -0.637 18.328 19.000 -0.059 0.000 0.818 360 A HN 0.322 nan 8.150 nan 0.000 0.443 361 V N -5.492 114.424 119.914 0.003 0.000 2.825 361 V HA 0.216 4.336 4.120 -0.000 0.000 0.246 361 V C 1.892 177.834 176.094 -0.253 0.000 1.068 361 V CA 1.163 63.396 62.300 -0.111 0.000 1.088 361 V CB -0.621 31.138 31.823 -0.108 0.000 0.733 361 V HN 0.305 nan 8.190 nan 0.000 0.468 362 F N 1.891 121.828 119.950 -0.022 0.000 2.717 362 F HA 0.733 5.260 4.527 -0.000 0.000 0.297 362 F C 1.354 177.125 175.800 -0.048 0.000 1.113 362 F CA 0.540 58.522 58.000 -0.030 0.000 1.319 362 F CB 0.611 39.593 39.000 -0.029 0.000 1.097 362 F HN 0.514 nan 8.300 nan 0.000 0.595 363 G N 0.289 109.150 108.800 0.101 0.000 2.674 363 G HA2 -0.137 3.823 3.960 -0.000 0.000 0.686 363 G HA3 -0.137 3.823 3.960 -0.000 0.000 0.686 363 G C 0.563 175.464 174.900 0.002 0.000 1.195 363 G CA -0.313 44.805 45.100 0.030 0.000 0.776 363 G HN 0.240 nan 8.290 nan 0.000 0.654 364 T N -1.970 112.568 114.554 -0.027 0.000 3.051 364 T HA -0.000 4.350 4.350 -0.000 0.000 0.269 364 T C 1.448 176.098 174.700 -0.083 0.000 1.127 364 T CA 2.285 64.355 62.100 -0.049 0.000 1.107 364 T CB -0.068 68.772 68.868 -0.046 0.000 0.898 364 T HN 0.392 nan 8.240 nan 0.000 0.517 365 D N 0.889 121.235 120.400 -0.090 0.000 2.213 365 D HA 0.073 4.712 4.640 -0.000 0.000 0.205 365 D C 2.260 178.440 176.300 -0.199 0.000 0.961 365 D CA 0.566 54.482 54.000 -0.139 0.000 0.853 365 D CB -0.231 40.499 40.800 -0.117 0.000 0.967 365 D HN 0.331 nan 8.370 nan 0.000 0.496 366 R N 1.339 121.739 120.500 -0.166 0.000 2.092 366 R HA 0.070 4.410 4.340 -0.000 0.000 0.231 366 R C 1.812 177.962 176.300 -0.250 0.000 1.119 366 R CA 1.700 57.644 56.100 -0.261 0.000 0.970 366 R CB -0.788 29.411 30.300 -0.169 0.000 0.864 366 R HN 0.028 nan 8.270 nan 0.000 0.440 367 A N 0.278 123.014 122.820 -0.141 0.000 1.902 367 A HA -0.089 4.231 4.320 -0.000 0.000 0.217 367 A C 2.144 179.666 177.584 -0.104 0.000 1.181 367 A CA 1.880 53.859 52.037 -0.097 0.000 0.623 367 A CB -0.728 18.236 19.000 -0.059 0.000 0.818 367 A HN 0.365 nan 8.150 nan 0.000 0.443 368 V N -3.487 116.343 119.914 -0.141 0.000 3.506 368 V HA 0.154 4.274 4.120 -0.000 0.000 0.263 368 V C 1.895 177.851 176.094 -0.229 0.000 1.203 368 V CA 1.412 63.632 62.300 -0.135 0.000 1.133 368 V CB -0.365 31.385 31.823 -0.122 0.000 0.802 368 V HN 0.495 nan 8.190 nan 0.000 0.459 369 M N 0.064 119.458 119.600 -0.344 0.000 2.492 369 M HA 0.042 4.521 4.480 -0.000 0.000 0.262 369 M C 1.817 178.007 176.300 -0.183 0.000 1.090 369 M CA 1.543 56.470 55.300 -0.621 0.000 1.110 369 M CB 0.072 32.300 32.600 -0.620 0.000 1.407 369 M HN 0.469 nan 8.290 nan 0.000 0.470 370 E N -0.624 119.545 120.200 -0.052 0.000 2.307 370 E HA -0.075 4.274 4.350 -0.000 0.000 0.195 370 E C 1.785 178.446 176.600 0.102 0.000 0.975 370 E CA 0.361 56.827 56.400 0.111 0.000 0.878 370 E CB 0.257 30.002 29.700 0.075 0.000 0.845 370 E HN 0.681 nan 8.360 nan 0.000 0.488 371 Q N 0.616 120.446 119.800 0.050 0.000 2.172 371 Q HA 0.003 4.343 4.340 -0.000 0.000 0.200 371 Q C 2.078 178.148 176.000 0.116 0.000 0.964 371 Q CA 1.095 56.943 55.803 0.074 0.000 0.855 371 Q CB -0.064 28.702 28.738 0.047 0.000 0.918 371 Q HN 0.098 nan 8.270 nan 0.000 0.444 372 A N 1.614 124.517 122.820 0.139 0.000 1.826 372 A HA -0.137 4.183 4.320 -0.000 0.000 0.214 372 A C 2.041 179.803 177.584 0.297 0.000 1.212 372 A CA 0.876 53.052 52.037 0.232 0.000 0.605 372 A CB -0.877 18.315 19.000 0.320 0.000 0.861 372 A HN 0.265 nan 8.150 nan 0.000 0.447 373 L N 0.203 121.702 121.223 0.460 0.000 2.151 373 L HA -0.247 4.093 4.340 -0.000 0.000 0.219 373 L C 2.423 179.394 176.870 0.169 0.000 1.083 373 L CA 2.257 57.280 54.840 0.305 0.000 0.782 373 L CB -1.060 41.209 42.059 0.348 0.000 0.891 373 L HN 0.462 nan 8.230 nan 0.000 0.439 374 G N -2.493 106.399 108.800 0.153 0.000 2.395 374 G HA2 -0.063 3.896 3.960 -0.000 0.000 0.214 374 G HA3 -0.063 3.896 3.960 -0.000 0.000 0.214 374 G C 1.588 176.550 174.900 0.104 0.000 1.177 374 G CA 0.553 45.716 45.100 0.105 0.000 0.794 374 G HN 0.557 nan 8.290 nan 0.000 0.532 375 A N 0.651 123.543 122.820 0.121 0.000 2.024 375 A HA -0.099 4.220 4.320 -0.000 0.000 0.220 375 A C 2.286 179.927 177.584 0.095 0.000 1.164 375 A CA 1.882 53.988 52.037 0.114 0.000 0.643 375 A CB -0.391 18.682 19.000 0.122 0.000 0.806 375 A HN 0.493 nan 8.150 nan 0.000 0.451 376 Q N -0.532 119.325 119.800 0.095 0.000 2.170 376 Q HA -0.199 4.141 4.340 -0.000 0.000 0.203 376 Q C 1.183 177.209 176.000 0.043 0.000 0.976 376 Q CA 1.642 57.483 55.803 0.064 0.000 0.858 376 Q CB -0.251 28.519 28.738 0.054 0.000 0.907 376 Q HN 0.747 nan 8.270 nan 0.000 0.433 377 D N 0.401 120.831 120.400 0.050 0.000 2.213 377 D HA -0.092 4.547 4.640 -0.000 0.000 0.205 377 D C 1.612 177.940 176.300 0.047 0.000 0.961 377 D CA 0.252 54.276 54.000 0.040 0.000 0.853 377 D CB -0.003 40.819 40.800 0.038 0.000 0.967 377 D HN 0.026 nan 8.370 nan 0.000 0.496 378 L N 1.032 122.293 121.223 0.063 0.000 2.012 378 L HA -0.183 4.157 4.340 -0.000 0.000 0.210 378 L C 1.502 178.404 176.870 0.053 0.000 1.073 378 L CA 1.707 56.590 54.840 0.073 0.000 0.748 378 L CB -0.498 41.619 42.059 0.096 0.000 0.891 378 L HN -0.044 nan 8.230 nan 0.000 0.431 379 N N 0.032 118.759 118.700 0.044 0.000 2.120 379 N HA -0.125 4.615 4.740 -0.000 0.000 0.188 379 N C 1.822 177.343 175.510 0.018 0.000 1.024 379 N CA 1.578 54.644 53.050 0.027 0.000 0.852 379 N CB -0.527 37.976 38.487 0.026 0.000 1.003 379 N HN 0.547 nan 8.380 nan 0.000 0.424 380 A N 1.179 124.011 122.820 0.019 0.000 1.898 380 A HA -0.118 4.202 4.320 -0.000 0.000 0.216 380 A C 2.127 179.722 177.584 0.017 0.000 1.181 380 A CA 1.267 53.311 52.037 0.012 0.000 0.620 380 A CB -0.426 18.579 19.000 0.009 0.000 0.819 380 A HN 0.299 nan 8.150 nan 0.000 0.442 381 E N -0.388 119.829 120.200 0.028 0.000 2.072 381 E HA -0.121 4.229 4.350 -0.000 0.000 0.191 381 E C 1.870 178.488 176.600 0.030 0.000 0.985 381 E CA 0.864 57.285 56.400 0.034 0.000 0.801 381 E CB -0.170 29.561 29.700 0.051 0.000 0.750 381 E HN 0.518 nan 8.360 nan 0.000 0.452 382 I N 0.967 121.553 120.570 0.026 0.000 2.248 382 I HA -0.267 3.903 4.170 -0.000 0.000 0.248 382 I C 2.303 178.424 176.117 0.006 0.000 1.107 382 I CA 1.050 62.359 61.300 0.014 0.000 1.373 382 I CB -0.789 37.214 38.000 0.004 0.000 1.055 382 I HN 0.184 nan 8.210 nan 0.000 0.418 383 L N 0.506 121.732 121.223 0.006 0.000 2.027 383 L HA -0.161 4.179 4.340 -0.000 0.000 0.206 383 L C 2.179 179.052 176.870 0.005 0.000 1.074 383 L CA 1.721 56.562 54.840 0.001 0.000 0.745 383 L CB -0.865 41.194 42.059 -0.000 0.000 0.898 383 L HN 0.125 nan 8.230 nan 0.000 0.433 384 E N -1.202 119.004 120.200 0.010 0.000 2.502 384 E HA 0.084 4.434 4.350 -0.000 0.000 0.194 384 E C -0.116 176.494 176.600 0.016 0.000 1.062 384 E CA 0.050 56.458 56.400 0.013 0.000 0.867 384 E CB 0.014 29.724 29.700 0.016 0.000 0.888 384 E HN 0.057 nan 8.360 nan 0.000 0.510 385 L N 0.622 121.856 121.223 0.017 0.000 2.344 385 L HA 0.258 4.597 4.340 -0.000 0.000 0.272 385 L C -0.091 176.787 176.870 0.014 0.000 1.035 385 L CA -0.608 54.245 54.840 0.021 0.000 0.807 385 L CB 1.379 43.455 42.059 0.029 0.000 1.237 385 L HN -0.141 nan 8.230 nan 0.000 0.442 386 D N 2.142 122.551 120.400 0.016 0.000 2.383 386 D HA 0.086 4.726 4.640 -0.000 0.000 0.252 386 D C -0.097 176.207 176.300 0.006 0.000 1.166 386 D CA -0.040 53.966 54.000 0.011 0.000 0.879 386 D CB 1.482 42.291 40.800 0.015 0.000 1.164 386 D HN 0.640 nan 8.370 nan 0.000 0.462 387 A N 3.449 126.268 122.820 -0.001 0.000 2.863 387 A HA 0.139 4.459 4.320 -0.000 0.000 0.246 387 A C 1.171 178.751 177.584 -0.007 0.000 1.772 387 A CA 0.464 52.495 52.037 -0.009 0.000 1.456 387 A CB -0.387 18.605 19.000 -0.014 0.000 0.930 387 A HN 0.452 nan 8.150 nan 0.000 0.630 388 S N -1.232 114.468 115.700 -0.001 0.000 2.597 388 S HA 0.022 4.492 4.470 -0.000 0.000 0.275 388 S C 0.748 175.349 174.600 0.002 0.000 1.040 388 S CA 0.481 58.681 58.200 0.000 0.000 1.187 388 S CB 0.125 63.327 63.200 0.003 0.000 0.988 388 S HN 0.466 nan 8.310 nan 0.000 0.490 389 D N 2.129 122.534 120.400 0.008 0.000 2.323 389 D HA 0.065 4.705 4.640 -0.000 0.000 0.209 389 D C 1.778 178.087 176.300 0.014 0.000 0.973 389 D CA 1.534 55.543 54.000 0.015 0.000 0.874 389 D CB -0.226 40.591 40.800 0.029 0.000 0.930 389 D HN 0.667 nan 8.370 nan 0.000 0.521 390 T N -1.807 112.751 114.554 0.006 0.000 3.160 390 T HA 0.006 4.355 4.350 -0.000 0.000 0.257 390 T C 0.864 175.553 174.700 -0.019 0.000 1.147 390 T CA 0.007 62.108 62.100 0.002 0.000 1.064 390 T CB -0.054 68.809 68.868 -0.008 0.000 0.949 390 T HN 0.046 nan 8.240 nan 0.000 0.526 391 Q N -0.069 119.719 119.800 -0.020 0.000 2.306 391 Q HA 0.425 4.765 4.340 -0.000 0.000 0.241 391 Q C 0.535 176.494 176.000 -0.067 0.000 0.948 391 Q CA -0.829 54.951 55.803 -0.039 0.000 0.886 391 Q CB 1.216 29.958 28.738 0.006 0.000 1.227 391 Q HN 0.043 nan 8.270 nan 0.000 0.457 392 L N 1.172 122.287 121.223 -0.180 0.000 2.068 392 L HA -0.088 4.252 4.340 -0.000 0.000 0.204 392 L C 0.846 177.599 176.870 -0.195 0.000 1.076 392 L CA 1.486 56.126 54.840 -0.334 0.000 0.753 392 L CB -0.340 41.231 42.059 -0.814 0.000 0.910 392 L HN 0.636 nan 8.230 nan 0.000 0.439 393 Y N 0.961 121.094 120.300 -0.278 0.000 2.735 393 Y HA 0.240 4.789 4.550 -0.000 0.000 0.354 393 Y C 0.499 176.471 175.900 0.121 0.000 1.288 393 Y CA -1.364 56.772 58.100 0.059 0.000 1.836 393 Y CB -0.781 37.794 38.460 0.191 0.000 1.920 393 Y HN 0.034 nan 8.280 nan 0.000 0.438 394 I N 2.860 123.412 120.570 -0.031 0.000 2.752 394 I HA -0.053 4.117 4.170 -0.000 0.000 0.287 394 I C 0.065 176.076 176.117 -0.176 0.000 1.188 394 I CA 0.282 61.537 61.300 -0.075 0.000 1.427 394 I CB 0.500 38.492 38.000 -0.015 0.000 1.365 394 I HN 0.433 nan 8.210 nan 0.000 0.585 395 D N 6.009 126.333 120.400 -0.128 0.000 2.264 395 D HA 0.181 4.821 4.640 -0.000 0.000 0.250 395 D C 0.716 177.003 176.300 -0.020 0.000 1.113 395 D CA -0.094 53.849 54.000 -0.097 0.000 0.871 395 D CB 1.227 41.989 40.800 -0.063 0.000 1.167 395 D HN 0.488 nan 8.370 nan 0.000 0.447 396 L N 3.066 124.301 121.223 0.019 0.000 2.341 396 L HA 0.065 4.404 4.340 -0.000 0.000 0.214 396 L C 1.285 178.210 176.870 0.092 0.000 1.115 396 L CA 0.201 55.086 54.840 0.075 0.000 0.820 396 L CB -0.265 41.874 42.059 0.134 0.000 0.944 396 L HN 0.634 nan 8.230 nan 0.000 0.452 397 K N -0.607 119.835 120.400 0.070 0.000 3.274 397 K HA -0.240 4.080 4.320 -0.000 0.000 0.300 397 K C 0.924 177.563 176.600 0.064 0.000 1.230 397 K CA 0.312 56.632 56.287 0.055 0.000 0.884 397 K CB -1.870 30.654 32.500 0.041 0.000 1.242 397 K HN 0.563 nan 8.250 nan 0.000 0.467 398 G N 0.189 109.049 108.800 0.101 0.000 2.141 398 G HA2 -0.346 3.614 3.960 -0.000 0.000 0.242 398 G HA3 -0.346 3.614 3.960 -0.000 0.000 0.242 398 G C 0.199 175.143 174.900 0.074 0.000 0.982 398 G CA 0.633 45.766 45.100 0.055 0.000 0.662 398 G HN 0.337 nan 8.290 nan 0.000 0.527 399 R N -0.022 120.571 120.500 0.156 0.000 2.783 399 R HA 0.426 4.766 4.340 -0.000 0.000 0.276 399 R C 0.126 176.588 176.300 0.270 0.000 1.223 399 R CA -0.120 56.073 56.100 0.154 0.000 1.173 399 R CB 0.187 30.558 30.300 0.118 0.000 1.157 399 R HN 0.221 nan 8.270 nan 0.000 0.600 400 D N 0.288 120.799 120.400 0.185 0.000 2.312 400 D HA 0.090 4.730 4.640 -0.000 0.000 0.252 400 D C -1.845 174.518 176.300 0.105 0.000 1.150 400 D CA -2.261 51.857 54.000 0.197 0.000 0.870 400 D CB 1.284 42.155 40.800 0.119 0.000 1.153 400 D HN 0.072 nan 8.370 nan 0.000 0.457 401 P HA -0.093 nan 4.420 nan 0.000 0.227 401 P C 0.198 177.427 177.300 -0.119 0.000 1.145 401 P CA 0.903 63.818 63.100 -0.307 0.000 0.769 401 P CB 0.355 31.565 31.700 -0.817 0.000 0.769 402 D N -1.567 118.836 120.400 0.005 0.000 2.338 402 D HA -0.075 4.565 4.640 -0.000 0.000 0.224 402 D C 1.577 177.954 176.300 0.127 0.000 0.967 402 D CA 0.706 54.771 54.000 0.108 0.000 0.896 402 D CB -0.507 40.353 40.800 0.099 0.000 1.028 402 D HN 0.160 nan 8.370 nan 0.000 0.493 403 D N 1.414 121.870 120.400 0.093 0.000 2.087 403 D HA -0.116 4.524 4.640 -0.000 0.000 0.192 403 D C 0.722 177.091 176.300 0.116 0.000 0.993 403 D CA 1.203 55.253 54.000 0.083 0.000 0.828 403 D CB -0.017 40.827 40.800 0.074 0.000 0.968 403 D HN 0.014 nan 8.370 nan 0.000 0.448 404 A N -0.389 122.495 122.820 0.108 0.000 2.993 404 A HA 0.321 4.641 4.320 -0.000 0.000 0.281 404 A C -0.762 176.909 177.584 0.144 0.000 1.847 404 A CA 0.112 52.207 52.037 0.097 0.000 1.470 404 A CB -1.164 17.870 19.000 0.057 0.000 1.028 404 A HN 0.341 nan 8.150 nan 0.000 0.604 405 F N 1.359 121.321 119.950 0.019 0.000 2.623 405 F HA 0.509 5.036 4.527 -0.000 0.000 0.323 405 F C 0.113 175.949 175.800 0.061 0.000 1.158 405 F CA -0.259 57.768 58.000 0.045 0.000 1.030 405 F CB 1.660 40.676 39.000 0.027 0.000 1.280 405 F HN 0.473 nan 8.300 nan 0.000 0.474 406 S N 2.136 118.087 115.700 0.418 0.000 2.998 406 S HA 0.706 5.176 4.470 -0.000 0.000 0.321 406 S C 0.463 175.295 174.600 0.387 0.000 1.171 406 S CA -0.166 58.235 58.200 0.334 0.000 0.882 406 S CB 1.207 64.512 63.200 0.175 0.000 1.301 406 S HN 0.851 nan 8.310 nan 0.000 0.629 407 G N -0.048 108.907 108.800 0.258 0.000 2.796 407 G HA2 0.253 4.213 3.960 -0.000 0.000 0.210 407 G HA3 0.253 4.213 3.960 -0.000 0.000 0.210 407 G C 1.057 176.153 174.900 0.327 0.000 1.146 407 G CA 0.495 45.755 45.100 0.267 0.000 0.779 407 G HN 0.493 nan 8.290 nan 0.000 0.535 408 V N 2.770 122.819 119.914 0.224 0.000 2.223 408 V HA -0.227 3.893 4.120 -0.000 0.000 0.253 408 V C 0.816 177.035 176.094 0.207 0.000 1.061 408 V CA 2.788 65.193 62.300 0.175 0.000 1.035 408 V CB -1.295 30.590 31.823 0.103 0.000 0.653 408 V HN 0.342 nan 8.190 nan 0.000 0.454 409 P HA -0.199 nan 4.420 nan 0.000 0.218 409 P C 1.274 178.684 177.300 0.183 0.000 1.148 409 P CA 1.996 65.194 63.100 0.163 0.000 0.822 409 P CB -0.139 31.599 31.700 0.064 0.000 0.784 410 Y N 0.350 120.763 120.300 0.188 0.000 2.092 410 Y HA -0.146 4.404 4.550 -0.000 0.000 0.282 410 Y C 2.790 178.794 175.900 0.174 0.000 1.126 410 Y CA 1.194 59.411 58.100 0.196 0.000 1.111 410 Y CB -1.606 36.952 38.460 0.163 0.000 0.987 410 Y HN -0.282 nan 8.280 nan 0.000 0.489 411 V N 0.112 120.241 119.914 0.359 0.000 2.379 411 V HA -0.219 3.901 4.120 -0.000 0.000 0.245 411 V C 2.188 178.416 176.094 0.223 0.000 1.044 411 V CA 2.000 64.446 62.300 0.244 0.000 1.036 411 V CB -0.605 31.331 31.823 0.188 0.000 0.664 411 V HN 0.296 nan 8.190 nan 0.000 0.453 412 K N 0.585 121.120 120.400 0.224 0.000 2.217 412 K HA -0.067 4.253 4.320 -0.000 0.000 0.202 412 K C 2.031 178.762 176.600 0.219 0.000 1.051 412 K CA 1.277 57.706 56.287 0.236 0.000 0.952 412 K CB -0.340 32.277 32.500 0.195 0.000 0.736 412 K HN 0.490 nan 8.250 nan 0.000 0.453 413 G N 0.545 109.482 108.800 0.228 0.000 2.464 413 G HA2 -0.229 3.731 3.960 -0.000 0.000 0.217 413 G HA3 -0.229 3.731 3.960 -0.000 0.000 0.217 413 G C 1.289 176.302 174.900 0.189 0.000 1.138 413 G CA 0.247 45.517 45.100 0.284 0.000 0.793 413 G HN 0.396 nan 8.290 nan 0.000 0.539 414 Q N -0.045 119.863 119.800 0.181 0.000 2.049 414 Q HA 0.042 4.382 4.340 -0.000 0.000 0.198 414 Q C 2.438 178.494 176.000 0.093 0.000 0.971 414 Q CA 0.723 56.624 55.803 0.165 0.000 0.833 414 Q CB -0.230 28.644 28.738 0.226 0.000 0.896 414 Q HN 0.461 nan 8.270 nan 0.000 0.434 415 L N 0.314 121.597 121.223 0.100 0.000 2.131 415 L HA -0.149 4.191 4.340 -0.000 0.000 0.210 415 L C 2.491 179.251 176.870 -0.182 0.000 1.092 415 L CA 0.821 55.710 54.840 0.082 0.000 0.759 415 L CB -0.652 41.545 42.059 0.231 0.000 0.903 415 L HN 0.302 nan 8.230 nan 0.000 0.435 416 F N 1.333 120.872 119.950 -0.685 0.000 2.102 416 F HA -0.191 4.335 4.527 -0.000 0.000 0.298 416 F C 2.059 177.434 175.800 -0.708 0.000 1.105 416 F CA 1.526 58.742 58.000 -1.306 0.000 1.239 416 F CB -0.477 37.960 39.000 -0.939 0.000 0.991 416 F HN -0.097 nan 8.300 nan 0.000 0.474 417 L N -0.596 120.168 121.223 -0.765 0.000 2.240 417 L HA -0.140 4.200 4.340 -0.000 0.000 0.211 417 L C 2.497 178.893 176.870 -0.789 0.000 1.106 417 L CA 0.758 55.028 54.840 -0.951 0.000 0.793 417 L CB -0.630 40.817 42.059 -1.020 0.000 0.927 417 L HN 0.147 nan 8.230 nan 0.000 0.446 418 M N -1.404 118.006 119.600 -0.316 0.000 2.296 418 M HA -0.210 4.270 4.480 -0.000 0.000 0.265 418 M C 2.267 178.470 176.300 -0.162 0.000 1.064 418 M CA 1.674 56.923 55.300 -0.085 0.000 1.109 418 M CB -0.329 32.325 32.600 0.091 0.000 1.396 418 M HN 0.215 nan 8.290 nan 0.000 0.430 419 Y N 1.330 121.451 120.300 -0.300 0.000 2.220 419 Y HA -0.112 4.438 4.550 -0.000 0.000 0.291 419 Y C 1.834 177.582 175.900 -0.252 0.000 1.129 419 Y CA 1.479 59.486 58.100 -0.155 0.000 1.161 419 Y CB -0.194 38.242 38.460 -0.040 0.000 0.997 419 Y HN 0.070 nan 8.280 nan 0.000 0.522 420 L N -0.047 120.895 121.223 -0.468 0.000 2.217 420 L HA -0.118 4.222 4.340 -0.000 0.000 0.211 420 L C 2.423 178.893 176.870 -0.667 0.000 1.107 420 L CA 1.471 56.022 54.840 -0.481 0.000 0.783 420 L CB -0.601 41.077 42.059 -0.635 0.000 0.919 420 L HN 0.286 nan 8.230 nan 0.000 0.442 421 E N 1.116 120.712 120.200 -1.007 0.000 2.007 421 E HA -0.241 4.109 4.350 -0.000 0.000 0.194 421 E C 1.949 178.373 176.600 -0.295 0.000 0.999 421 E CA 1.532 57.504 56.400 -0.714 0.000 0.811 421 E CB 0.029 29.504 29.700 -0.375 0.000 0.762 421 E HN 0.500 nan 8.360 nan 0.000 0.450 422 E N 0.263 120.307 120.200 -0.261 0.000 2.171 422 E HA -0.213 4.137 4.350 -0.000 0.000 0.197 422 E C 2.143 178.575 176.600 -0.280 0.000 0.997 422 E CA 0.854 57.131 56.400 -0.207 0.000 0.810 422 E CB -0.005 29.593 29.700 -0.170 0.000 0.738 422 E HN 0.099 nan 8.360 nan 0.000 0.467 423 K N -0.084 120.072 120.400 -0.406 0.000 2.103 423 K HA -0.044 4.276 4.320 -0.000 0.000 0.204 423 K C 1.647 177.882 176.600 -0.609 0.000 1.052 423 K CA 1.062 57.018 56.287 -0.553 0.000 0.945 423 K CB -0.012 32.063 32.500 -0.708 0.000 0.722 423 K HN 0.189 nan 8.250 nan 0.000 0.443 424 F N -0.541 119.258 119.950 -0.252 0.000 2.712 424 F HA 0.252 4.779 4.527 -0.000 0.000 0.297 424 F C 0.996 176.703 175.800 -0.155 0.000 1.114 424 F CA 0.310 58.190 58.000 -0.199 0.000 1.305 424 F CB 0.758 39.659 39.000 -0.165 0.000 1.086 424 F HN 0.086 nan 8.300 nan 0.000 0.599 425 G N 0.789 109.607 108.800 0.030 0.000 2.699 425 G HA2 -0.161 3.799 3.960 -0.000 0.000 0.686 425 G HA3 -0.161 3.799 3.960 -0.000 0.000 0.686 425 G C 0.357 175.342 174.900 0.142 0.000 1.301 425 G CA -0.679 44.443 45.100 0.038 0.000 0.816 425 G HN 0.037 nan 8.290 nan 0.000 0.595 426 R N 0.602 121.188 120.500 0.143 0.000 2.062 426 R HA -0.040 4.300 4.340 -0.000 0.000 0.229 426 R C 2.299 178.710 176.300 0.185 0.000 1.128 426 R CA 1.762 57.998 56.100 0.227 0.000 0.960 426 R CB -0.559 29.837 30.300 0.160 0.000 0.855 426 R HN 0.719 nan 8.270 nan 0.000 0.432 427 E N 1.289 121.551 120.200 0.104 0.000 2.055 427 E HA -0.259 4.091 4.350 -0.000 0.000 0.209 427 E C 2.038 178.692 176.600 0.090 0.000 1.036 427 E CA 1.874 58.318 56.400 0.074 0.000 0.849 427 E CB -0.024 29.696 29.700 0.033 0.000 0.767 427 E HN 0.012 nan 8.360 nan 0.000 0.461 428 R N -1.018 119.520 120.500 0.064 0.000 2.062 428 R HA 0.044 4.384 4.340 -0.000 0.000 0.229 428 R C 2.203 178.608 176.300 0.175 0.000 1.128 428 R CA 1.334 57.453 56.100 0.032 0.000 0.960 428 R CB -1.054 29.112 30.300 -0.223 0.000 0.855 428 R HN 0.307 nan 8.270 nan 0.000 0.432 429 F N 1.686 121.662 119.950 0.043 0.000 2.069 429 F HA -0.211 4.315 4.527 -0.000 0.000 0.298 429 F C 1.459 177.390 175.800 0.219 0.000 1.113 429 F CA 1.919 59.966 58.000 0.078 0.000 1.214 429 F CB -0.476 38.559 39.000 0.057 0.000 0.978 429 F HN 0.028 nan 8.300 nan 0.000 0.474 430 D N 0.229 120.723 120.400 0.157 0.000 2.178 430 D HA -0.116 4.524 4.640 -0.000 0.000 0.201 430 D C 2.321 178.668 176.300 0.079 0.000 0.980 430 D CA 1.325 55.387 54.000 0.103 0.000 0.842 430 D CB -0.619 40.295 40.800 0.191 0.000 0.948 430 D HN 0.375 nan 8.370 nan 0.000 0.472 431 A N 0.274 123.155 122.820 0.103 0.000 1.873 431 A HA -0.133 4.187 4.320 -0.000 0.000 0.215 431 A C 2.071 179.701 177.584 0.076 0.000 1.186 431 A CA 1.063 53.160 52.037 0.099 0.000 0.616 431 A CB -0.958 18.117 19.000 0.125 0.000 0.823 431 A HN 0.298 nan 8.150 nan 0.000 0.442 432 F N 1.109 121.034 119.950 -0.042 0.000 2.031 432 F HA -0.177 4.349 4.527 -0.000 0.000 0.295 432 F C 2.140 177.883 175.800 -0.094 0.000 1.133 432 F CA 2.277 60.231 58.000 -0.076 0.000 1.188 432 F CB -0.754 38.155 39.000 -0.150 0.000 0.974 432 F HN 0.007 nan 8.300 nan 0.000 0.473 433 V N 1.054 120.643 119.914 -0.542 0.000 2.324 433 V HA -0.311 3.808 4.120 -0.000 0.000 0.250 433 V C 2.438 178.271 176.094 -0.434 0.000 1.060 433 V CA 1.901 63.803 62.300 -0.663 0.000 1.042 433 V CB -1.092 30.363 31.823 -0.613 0.000 0.650 433 V HN 0.545 nan 8.190 nan 0.000 0.450 434 L N 0.581 121.728 121.223 -0.126 0.000 2.017 434 L HA -0.183 4.156 4.340 -0.000 0.000 0.208 434 L C 2.386 179.259 176.870 0.005 0.000 1.073 434 L CA 2.041 56.911 54.840 0.050 0.000 0.745 434 L CB -0.810 41.322 42.059 0.121 0.000 0.894 434 L HN 0.397 nan 8.230 nan 0.000 0.432 435 E N -1.670 118.508 120.200 -0.036 0.000 2.110 435 E HA -0.286 4.064 4.350 -0.000 0.000 0.193 435 E C 2.030 178.644 176.600 0.024 0.000 0.988 435 E CA 1.572 57.986 56.400 0.023 0.000 0.804 435 E CB -0.533 29.209 29.700 0.069 0.000 0.745 435 E HN 0.631 nan 8.360 nan 0.000 0.458 436 Y N 0.646 120.783 120.300 -0.273 0.000 2.081 436 Y HA -0.273 4.277 4.550 -0.000 0.000 0.280 436 Y C 1.707 177.488 175.900 -0.200 0.000 1.163 436 Y CA 1.645 59.525 58.100 -0.367 0.000 1.135 436 Y CB -0.566 37.416 38.460 -0.797 0.000 0.970 436 Y HN 0.022 nan 8.280 nan 0.000 0.498 437 F N 0.181 119.910 119.950 -0.368 0.000 2.146 437 F HA -0.213 4.314 4.527 -0.000 0.000 0.298 437 F C 2.228 177.894 175.800 -0.224 0.000 1.096 437 F CA 0.717 58.502 58.000 -0.358 0.000 1.275 437 F CB -0.200 38.773 39.000 -0.046 0.000 1.008 437 F HN 0.081 nan 8.300 nan 0.000 0.480 438 D N 0.122 120.566 120.400 0.074 0.000 2.117 438 D HA -0.152 4.487 4.640 -0.000 0.000 0.197 438 D C 2.315 178.566 176.300 -0.083 0.000 0.987 438 D CA 1.844 55.845 54.000 0.001 0.000 0.829 438 D CB -0.507 40.312 40.800 0.030 0.000 0.961 438 D HN 0.220 nan 8.370 nan 0.000 0.460 439 S N -0.595 115.038 115.700 -0.111 0.000 2.481 439 S HA -0.126 4.344 4.470 -0.000 0.000 0.231 439 S C 1.049 175.344 174.600 -0.507 0.000 0.996 439 S CA 0.722 58.771 58.200 -0.252 0.000 0.942 439 S CB -0.385 62.674 63.200 -0.235 0.000 0.768 439 S HN 0.325 nan 8.310 nan 0.000 0.520 440 H N 1.207 120.074 119.070 -0.338 0.000 2.512 440 H HA 0.632 5.188 4.556 -0.000 0.000 0.276 440 H C 0.496 175.642 175.328 -0.302 0.000 1.126 440 H CA -0.236 55.609 56.048 -0.339 0.000 1.060 440 H CB -0.101 29.363 29.762 -0.497 0.000 1.646 440 H HN 0.489 nan 8.280 nan 0.000 0.571 441 A N 0.536 123.224 122.820 -0.219 0.000 2.553 441 A HA 0.108 4.428 4.320 -0.000 0.000 0.258 441 A C -0.179 177.276 177.584 -0.215 0.000 1.069 441 A CA 0.145 51.973 52.037 -0.348 0.000 0.767 441 A CB -1.182 17.657 19.000 -0.269 0.000 0.997 441 A HN 0.550 nan 8.150 nan 0.000 0.512 442 F N -0.699 119.151 119.950 -0.168 0.000 3.080 442 F HA -0.235 4.292 4.527 -0.000 0.000 0.292 442 F C 0.739 176.479 175.800 -0.100 0.000 0.891 442 F CA 1.633 59.552 58.000 -0.135 0.000 1.086 442 F CB -2.262 36.638 39.000 -0.167 0.000 1.095 442 F HN 0.773 nan 8.300 nan 0.000 0.633 443 Q N -1.125 118.664 119.800 -0.017 0.000 2.486 443 Q HA 0.775 5.115 4.340 -0.000 0.000 0.274 443 Q C -0.183 175.792 176.000 -0.042 0.000 1.076 443 Q CA -0.998 54.791 55.803 -0.022 0.000 0.872 443 Q CB 2.473 31.188 28.738 -0.039 0.000 1.383 443 Q HN 0.151 nan 8.270 nan 0.000 0.478 444 S N 0.051 115.727 115.700 -0.040 0.000 2.568 444 S HA 0.773 5.243 4.470 -0.000 0.000 0.302 444 S C -1.737 172.839 174.600 -0.040 0.000 1.082 444 S CA -0.494 57.666 58.200 -0.066 0.000 1.009 444 S CB 0.918 64.069 63.200 -0.082 0.000 1.069 444 S HN 0.359 nan 8.310 nan 0.000 0.500 445 L N 2.266 123.446 121.223 -0.071 0.000 2.505 445 L HA 0.795 5.135 4.340 -0.000 0.000 0.259 445 L C -0.141 176.698 176.870 -0.052 0.000 0.952 445 L CA 0.013 54.831 54.840 -0.036 0.000 0.840 445 L CB 1.758 43.777 42.059 -0.066 0.000 1.358 445 L HN 0.777 nan 8.230 nan 0.000 0.409 446 G N 0.819 109.629 108.800 0.016 0.000 2.454 446 G HA2 0.469 4.429 3.960 -0.000 0.000 0.329 446 G HA3 0.469 4.429 3.960 -0.000 0.000 0.329 446 G C 0.337 175.295 174.900 0.097 0.000 1.177 446 G CA 0.203 45.330 45.100 0.045 0.000 0.951 446 G HN 0.661 nan 8.290 nan 0.000 0.485 447 T N 0.751 115.376 114.554 0.118 0.000 2.635 447 T HA -0.164 4.186 4.350 -0.000 0.000 0.267 447 T C 1.906 176.741 174.700 0.226 0.000 1.040 447 T CA 1.993 64.228 62.100 0.225 0.000 1.156 447 T CB -0.232 68.667 68.868 0.053 0.000 0.863 447 T HN 0.507 nan 8.240 nan 0.000 0.430 448 D N 0.927 121.385 120.400 0.096 0.000 2.158 448 D HA -0.081 4.559 4.640 -0.000 0.000 0.197 448 D C 2.114 178.514 176.300 0.167 0.000 0.995 448 D CA 0.864 54.943 54.000 0.133 0.000 0.846 448 D CB -0.346 40.498 40.800 0.074 0.000 0.941 448 D HN 0.364 nan 8.370 nan 0.000 0.456 449 N N -0.302 118.502 118.700 0.174 0.000 2.333 449 N HA -0.090 4.650 4.740 -0.000 0.000 0.178 449 N C 1.705 177.366 175.510 0.252 0.000 1.018 449 N CA 0.065 53.226 53.050 0.185 0.000 0.882 449 N CB -0.345 38.237 38.487 0.158 0.000 0.984 449 N HN 0.172 nan 8.380 nan 0.000 0.434 450 F N 2.739 122.770 119.950 0.134 0.000 2.091 450 F HA -0.193 4.334 4.527 -0.000 0.000 0.299 450 F C 2.150 178.099 175.800 0.248 0.000 1.103 450 F CA 1.022 59.114 58.000 0.154 0.000 1.228 450 F CB -0.601 38.457 39.000 0.097 0.000 0.984 450 F HN -0.258 nan 8.300 nan 0.000 0.477 451 V N 0.848 120.825 119.914 0.106 0.000 2.252 451 V HA -0.377 3.743 4.120 -0.000 0.000 0.249 451 V C 2.510 178.596 176.094 -0.012 0.000 1.056 451 V CA 2.465 64.768 62.300 0.006 0.000 1.022 451 V CB -0.896 31.024 31.823 0.161 0.000 0.641 451 V HN 0.332 nan 8.190 nan 0.000 0.445 452 K N -0.160 120.284 120.400 0.072 0.000 2.059 452 K HA -0.283 4.037 4.320 -0.000 0.000 0.212 452 K C 2.089 178.725 176.600 0.061 0.000 1.050 452 K CA 2.294 58.625 56.287 0.074 0.000 0.927 452 K CB -0.850 31.717 32.500 0.112 0.000 0.714 452 K HN 0.539 nan 8.250 nan 0.000 0.447 453 Y N 0.243 120.536 120.300 -0.010 0.000 2.314 453 Y HA -0.024 4.526 4.550 -0.000 0.000 0.293 453 Y C 1.902 177.793 175.900 -0.014 0.000 1.129 453 Y CA 1.431 59.549 58.100 0.030 0.000 1.201 453 Y CB -0.015 38.526 38.460 0.135 0.000 0.999 453 Y HN 0.139 nan 8.280 nan 0.000 0.541 454 L N -0.185 120.912 121.223 -0.210 0.000 2.217 454 L HA -0.164 4.176 4.340 -0.000 0.000 0.211 454 L C 1.926 178.593 176.870 -0.339 0.000 1.107 454 L CA 1.372 55.985 54.840 -0.379 0.000 0.783 454 L CB -0.221 41.464 42.059 -0.622 0.000 0.919 454 L HN 0.220 nan 8.230 nan 0.000 0.442 455 K N -0.361 119.915 120.400 -0.208 0.000 2.044 455 K HA 0.027 4.347 4.320 -0.000 0.000 0.204 455 K C 2.030 178.525 176.600 -0.175 0.000 1.045 455 K CA 1.010 57.208 56.287 -0.149 0.000 0.951 455 K CB -0.150 32.313 32.500 -0.063 0.000 0.738 455 K HN 0.274 nan 8.250 nan 0.000 0.443 456 A N 1.735 124.456 122.820 -0.166 0.000 2.121 456 A HA -0.096 4.223 4.320 -0.000 0.000 0.218 456 A C 1.347 178.785 177.584 -0.244 0.000 1.154 456 A CA 1.256 53.194 52.037 -0.165 0.000 0.679 456 A CB -0.176 18.760 19.000 -0.107 0.000 0.795 456 A HN 0.277 nan 8.150 nan 0.000 0.458 457 N N -1.715 116.786 118.700 -0.332 0.000 2.159 457 N HA 0.305 5.044 4.740 -0.000 0.000 0.217 457 N C 0.641 175.986 175.510 -0.274 0.000 1.223 457 N CA 0.125 52.996 53.050 -0.298 0.000 0.896 457 N CB 1.047 39.268 38.487 -0.444 0.000 1.064 457 N HN 0.430 nan 8.380 nan 0.000 0.518 458 L N -0.690 120.261 121.223 -0.452 0.000 2.884 458 L HA 0.103 4.443 4.340 -0.000 0.000 0.155 458 L C 1.282 177.882 176.870 -0.451 0.000 1.296 458 L CA 0.313 54.772 54.840 -0.635 0.000 0.946 458 L CB -0.224 41.120 42.059 -1.192 0.000 1.862 458 L HN -0.194 nan 8.230 nan 0.000 0.529 459 T N 0.097 114.436 114.554 -0.358 0.000 2.897 459 T HA -0.144 4.206 4.350 -0.000 0.000 0.271 459 T C 0.537 175.249 174.700 0.020 0.000 1.084 459 T CA 1.853 63.939 62.100 -0.023 0.000 1.123 459 T CB -0.123 68.740 68.868 -0.007 0.000 0.865 459 T HN 0.280 nan 8.240 nan 0.000 0.496 460 D N -0.622 119.725 120.400 -0.090 0.000 2.479 460 D HA 0.157 4.797 4.640 -0.000 0.000 0.221 460 D C 1.826 178.045 176.300 -0.136 0.000 1.104 460 D CA 0.198 54.156 54.000 -0.071 0.000 0.849 460 D CB 0.162 40.916 40.800 -0.077 0.000 1.072 460 D HN 0.250 nan 8.370 nan 0.000 0.502 461 K N -0.122 120.115 120.400 -0.272 0.000 2.062 461 K HA -0.047 4.272 4.320 -0.000 0.000 0.205 461 K C -0.282 175.990 176.600 -0.546 0.000 1.051 461 K CA 0.951 56.940 56.287 -0.497 0.000 0.941 461 K CB 0.108 32.147 32.500 -0.769 0.000 0.719 461 K HN 0.023 nan 8.250 nan 0.000 0.440 462 Y N 2.399 122.724 120.300 0.041 0.000 2.919 462 Y HA 0.367 4.917 4.550 -0.000 0.000 0.341 462 Y C -2.397 173.620 175.900 0.195 0.000 1.045 462 Y CA -3.424 54.765 58.100 0.148 0.000 1.218 462 Y CB 0.636 39.274 38.460 0.296 0.000 1.137 462 Y HN 0.117 nan 8.280 nan 0.000 0.577 463 P HA 0.097 nan 4.420 nan 0.000 0.274 463 P C -0.346 177.007 177.300 0.089 0.000 1.237 463 P CA -0.029 63.138 63.100 0.113 0.000 0.793 463 P CB 1.007 32.738 31.700 0.052 0.000 0.977 464 N N -0.797 117.938 118.700 0.058 0.000 2.850 464 N HA -0.175 4.564 4.740 -0.000 0.000 0.249 464 N C 0.332 175.819 175.510 -0.037 0.000 1.060 464 N CA 0.915 53.974 53.050 0.014 0.000 0.825 464 N CB -1.981 36.509 38.487 0.005 0.000 1.132 464 N HN 0.331 nan 8.380 nan 0.000 0.564 465 I N -1.347 119.187 120.570 -0.060 0.000 3.136 465 I HA 0.164 4.334 4.170 -0.000 0.000 0.262 465 I C 0.517 176.517 176.117 -0.196 0.000 1.132 465 I CA 0.690 61.834 61.300 -0.260 0.000 1.450 465 I CB 0.335 37.918 38.000 -0.696 0.000 1.315 465 I HN -0.062 nan 8.210 nan 0.000 0.460 466 V N 1.349 121.248 119.914 -0.025 0.000 2.555 466 V HA 0.508 4.628 4.120 -0.000 0.000 0.302 466 V C -0.256 175.920 176.094 0.137 0.000 1.038 466 V CA -0.825 61.541 62.300 0.108 0.000 0.887 466 V CB 1.602 33.591 31.823 0.277 0.000 0.991 466 V HN 0.328 nan 8.190 nan 0.000 0.434 467 S N 1.332 117.103 115.700 0.118 0.000 2.565 467 S HA 0.348 4.818 4.470 -0.000 0.000 0.290 467 S C 0.319 174.994 174.600 0.125 0.000 1.150 467 S CA -0.724 57.533 58.200 0.096 0.000 1.058 467 S CB 1.448 64.682 63.200 0.057 0.000 1.032 467 S HN 0.650 nan 8.310 nan 0.000 0.510 468 D N 1.558 122.021 120.400 0.104 0.000 2.411 468 D HA -0.060 4.579 4.640 -0.000 0.000 0.226 468 D C 0.932 177.306 176.300 0.124 0.000 0.988 468 D CA 0.981 55.051 54.000 0.116 0.000 0.938 468 D CB -0.518 40.337 40.800 0.091 0.000 0.883 468 D HN 0.662 nan 8.370 nan 0.000 0.525 469 N N -0.168 118.597 118.700 0.108 0.000 2.409 469 N HA -0.007 4.733 4.740 -0.000 0.000 0.174 469 N C 1.325 176.904 175.510 0.115 0.000 1.037 469 N CA 0.382 53.489 53.050 0.095 0.000 0.898 469 N CB 0.357 38.883 38.487 0.064 0.000 1.010 469 N HN 0.176 nan 8.380 nan 0.000 0.445 470 E N 0.063 120.357 120.200 0.156 0.000 2.170 470 E HA 0.057 4.407 4.350 -0.000 0.000 0.191 470 E C 1.418 178.216 176.600 0.330 0.000 0.981 470 E CA 0.458 56.996 56.400 0.230 0.000 0.830 470 E CB 0.250 30.111 29.700 0.268 0.000 0.775 470 E HN 0.349 nan 8.360 nan 0.000 0.470 471 I N 1.610 122.347 120.570 0.278 0.000 2.193 471 I HA -0.236 3.934 4.170 -0.000 0.000 0.240 471 I C 2.035 178.201 176.117 0.082 0.000 1.084 471 I CA 0.788 62.231 61.300 0.237 0.000 1.365 471 I CB -0.277 37.856 38.000 0.221 0.000 1.064 471 I HN 0.095 nan 8.210 nan 0.000 0.410 472 N N 0.606 119.396 118.700 0.151 0.000 2.223 472 N HA -0.232 4.508 4.740 -0.000 0.000 0.185 472 N C 1.801 177.402 175.510 0.151 0.000 1.016 472 N CA 1.382 54.592 53.050 0.268 0.000 0.863 472 N CB -0.203 38.478 38.487 0.324 0.000 0.983 472 N HN 0.384 nan 8.380 nan 0.000 0.429 473 E N 0.346 120.570 120.200 0.039 0.000 2.047 473 E HA -0.125 4.224 4.350 -0.000 0.000 0.191 473 E C 1.864 178.318 176.600 -0.243 0.000 0.987 473 E CA 1.132 57.479 56.400 -0.087 0.000 0.799 473 E CB -0.410 29.218 29.700 -0.120 0.000 0.752 473 E HN 0.324 nan 8.360 nan 0.000 0.449 474 W N 1.059 122.152 121.300 -0.345 0.000 2.302 474 W HA -0.200 4.460 4.660 -0.000 0.000 0.320 474 W C 2.176 178.229 176.519 -0.777 0.000 1.241 474 W CA 1.815 58.782 57.345 -0.630 0.000 1.264 474 W CB -0.202 28.653 29.460 -1.009 0.000 1.154 474 W HN 0.229 nan 8.180 nan 0.000 0.483 475 I N -4.315 115.868 120.570 -0.644 0.000 3.030 475 I HA 0.016 4.186 4.170 -0.000 0.000 0.270 475 I C 1.301 176.962 176.117 -0.761 0.000 1.211 475 I CA 0.822 61.548 61.300 -0.956 0.000 1.479 475 I CB -0.684 36.525 38.000 -1.319 0.000 1.105 475 I HN -0.125 nan 8.210 nan 0.000 0.447 476 F N 1.452 121.325 119.950 -0.128 0.000 2.694 476 F HA 0.364 4.891 4.527 -0.000 0.000 0.292 476 F C 0.921 176.685 175.800 -0.060 0.000 1.121 476 F CA -0.208 57.770 58.000 -0.035 0.000 1.352 476 F CB -0.081 38.923 39.000 0.007 0.000 1.107 476 F HN -0.153 nan 8.300 nan 0.000 0.597 477 K N 0.531 120.954 120.400 0.039 0.000 2.098 477 K HA 0.652 4.972 4.320 -0.000 0.000 0.258 477 K C 0.100 176.654 176.600 -0.077 0.000 0.973 477 K CA -0.360 55.912 56.287 -0.026 0.000 0.898 477 K CB 1.114 33.568 32.500 -0.078 0.000 1.057 477 K HN 0.008 nan 8.250 nan 0.000 0.447 478 A N 1.220 124.001 122.820 -0.064 0.000 2.296 478 A HA 0.618 4.938 4.320 -0.000 0.000 0.264 478 A C 0.614 178.133 177.584 -0.108 0.000 1.097 478 A CA 0.331 52.327 52.037 -0.068 0.000 0.811 478 A CB -0.664 18.309 19.000 -0.046 0.000 1.072 478 A HN 0.777 nan 8.150 nan 0.000 0.495 479 G N -1.380 107.365 108.800 -0.091 0.000 2.625 479 G HA2 -0.156 3.803 3.960 -0.000 0.000 0.311 479 G HA3 -0.156 3.803 3.960 -0.000 0.000 0.311 479 G C -0.116 174.675 174.900 -0.181 0.000 1.324 479 G CA 0.365 45.400 45.100 -0.108 0.000 0.918 479 G HN 1.085 nan 8.290 nan 0.000 0.556 480 L N 0.494 121.592 121.223 -0.209 0.000 2.344 480 L HA 0.365 4.704 4.340 -0.000 0.000 0.272 480 L C -1.248 175.309 176.870 -0.521 0.000 1.035 480 L CA -1.736 52.903 54.840 -0.334 0.000 0.807 480 L CB 1.990 43.936 42.059 -0.188 0.000 1.237 480 L HN 0.355 nan 8.230 nan 0.000 0.442 481 P HA -0.106 nan 4.420 nan 0.000 0.239 481 P C 0.921 177.610 177.300 -1.019 0.000 1.184 481 P CA 0.899 63.270 63.100 -1.216 0.000 0.760 481 P CB 0.292 30.735 31.700 -2.094 0.000 0.884 482 S N -1.337 114.025 115.700 -0.563 0.000 1.707 482 S HA -0.320 4.150 4.470 -0.000 0.000 0.235 482 S C 1.219 175.718 174.600 -0.168 0.000 0.875 482 S CA 1.498 59.521 58.200 -0.294 0.000 1.437 482 S CB -2.664 60.403 63.200 -0.221 0.000 1.819 482 S HN 0.303 nan 8.310 nan 0.000 0.531 483 Y N 2.485 122.723 120.300 -0.103 0.000 2.462 483 Y HA 0.832 5.382 4.550 -0.000 0.000 0.293 483 Y C 0.904 176.865 175.900 0.102 0.000 1.195 483 Y CA -0.705 57.403 58.100 0.014 0.000 1.276 483 Y CB -0.905 37.581 38.460 0.044 0.000 1.082 483 Y HN 0.765 nan 8.280 nan 0.000 0.514 484 A N 1.957 124.793 122.820 0.026 0.000 2.409 484 A HA 0.391 4.711 4.320 -0.000 0.000 0.267 484 A C -2.245 175.528 177.584 0.315 0.000 1.127 484 A CA -1.593 50.612 52.037 0.279 0.000 0.795 484 A CB -0.256 18.800 19.000 0.095 0.000 1.061 484 A HN 0.211 nan 8.150 nan 0.000 0.502 485 P HA 0.034 nan 4.420 nan 0.000 0.265 485 P C -0.432 176.984 177.300 0.192 0.000 1.167 485 P CA 0.745 64.005 63.100 0.267 0.000 0.760 485 P CB 0.323 32.172 31.700 0.249 0.000 0.783 486 Q N 3.218 123.102 119.800 0.141 0.000 3.300 486 Q HA 0.332 4.672 4.340 -0.000 0.000 0.271 486 Q C -2.486 173.571 176.000 0.094 0.000 0.926 486 Q CA -1.832 54.040 55.803 0.114 0.000 0.788 486 Q CB -0.134 28.660 28.738 0.094 0.000 1.385 486 Q HN 0.256 nan 8.270 nan 0.000 0.424 487 P HA 0.043 nan 4.420 nan 0.000 0.264 487 P C -0.761 176.577 177.300 0.062 0.000 1.179 487 P CA 0.251 63.389 63.100 0.063 0.000 0.763 487 P CB 0.853 32.590 31.700 0.063 0.000 0.806 488 T N 1.105 115.676 114.554 0.027 0.000 2.952 488 T HA 0.485 4.835 4.350 -0.000 0.000 0.305 488 T C -1.253 173.421 174.700 -0.043 0.000 1.064 488 T CA -0.504 61.613 62.100 0.028 0.000 1.008 488 T CB 0.750 69.634 68.868 0.026 0.000 1.078 488 T HN 0.226 nan 8.240 nan 0.000 0.459 489 S N 3.365 119.015 115.700 -0.083 0.000 2.596 489 S HA 0.352 4.821 4.470 -0.000 0.000 0.318 489 S C 1.064 175.575 174.600 -0.148 0.000 1.097 489 S CA -0.625 57.433 58.200 -0.237 0.000 1.080 489 S CB 0.921 63.751 63.200 -0.617 0.000 0.991 489 S HN 0.752 nan 8.310 nan 0.000 0.471 490 N N 4.201 122.831 118.700 -0.117 0.000 2.027 490 N HA -0.191 4.549 4.740 -0.000 0.000 0.200 490 N C 2.001 177.471 175.510 -0.068 0.000 1.042 490 N CA 2.407 55.413 53.050 -0.073 0.000 0.871 490 N CB -0.405 38.045 38.487 -0.061 0.000 1.063 490 N HN 0.800 nan 8.380 nan 0.000 0.438 491 A N -0.443 122.309 122.820 -0.113 0.000 1.986 491 A HA -0.164 4.155 4.320 -0.000 0.000 0.220 491 A C 1.958 179.536 177.584 -0.011 0.000 1.171 491 A CA 1.185 53.178 52.037 -0.075 0.000 0.640 491 A CB -0.901 18.027 19.000 -0.119 0.000 0.811 491 A HN 0.328 nan 8.150 nan 0.000 0.451 492 F N -0.301 119.476 119.950 -0.288 0.000 2.216 492 F HA -0.044 4.483 4.527 -0.000 0.000 0.300 492 F C 2.280 177.888 175.800 -0.320 0.000 1.085 492 F CA 1.576 59.257 58.000 -0.532 0.000 1.326 492 F CB -0.220 38.318 39.000 -0.770 0.000 1.027 492 F HN 0.298 nan 8.300 nan 0.000 0.497 493 K N -0.281 120.138 120.400 0.031 0.000 2.365 493 K HA 0.066 4.385 4.320 -0.000 0.000 0.195 493 K C 1.907 178.539 176.600 0.053 0.000 1.079 493 K CA 0.377 56.696 56.287 0.055 0.000 0.979 493 K CB 0.342 32.868 32.500 0.044 0.000 0.929 493 K HN -0.018 nan 8.250 nan 0.000 0.523 494 V N 1.915 121.851 119.914 0.035 0.000 2.527 494 V HA -0.276 3.843 4.120 -0.000 0.000 0.255 494 V C 2.128 178.266 176.094 0.074 0.000 1.081 494 V CA 1.599 63.927 62.300 0.048 0.000 1.092 494 V CB -0.378 31.470 31.823 0.042 0.000 0.673 494 V HN 0.302 nan 8.190 nan 0.000 0.470 495 I N -0.741 119.870 120.570 0.068 0.000 2.339 495 I HA -0.119 4.051 4.170 -0.000 0.000 0.245 495 I C 2.260 178.463 176.117 0.142 0.000 1.096 495 I CA 1.057 62.411 61.300 0.091 0.000 1.408 495 I CB -0.345 37.628 38.000 -0.044 0.000 1.092 495 I HN 0.215 nan 8.210 nan 0.000 0.423 496 D N 1.082 121.574 120.400 0.154 0.000 2.263 496 D HA -0.266 4.374 4.640 -0.000 0.000 0.193 496 D C 2.050 178.406 176.300 0.094 0.000 1.013 496 D CA 1.591 55.667 54.000 0.127 0.000 0.892 496 D CB -0.009 40.873 40.800 0.138 0.000 0.909 496 D HN 0.167 nan 8.370 nan 0.000 0.449 497 K N -0.162 120.293 120.400 0.091 0.000 2.044 497 K HA 0.052 4.371 4.320 -0.000 0.000 0.204 497 K C 2.265 178.919 176.600 0.089 0.000 1.045 497 K CA 0.596 56.928 56.287 0.075 0.000 0.951 497 K CB -0.070 32.469 32.500 0.064 0.000 0.738 497 K HN 0.167 nan 8.250 nan 0.000 0.443 498 Q N 0.793 120.661 119.800 0.113 0.000 2.133 498 Q HA -0.206 4.134 4.340 -0.000 0.000 0.208 498 Q C 2.054 178.171 176.000 0.195 0.000 0.991 498 Q CA 1.988 57.879 55.803 0.146 0.000 0.867 498 Q CB -0.820 28.023 28.738 0.176 0.000 0.911 498 Q HN 0.534 nan 8.270 nan 0.000 0.417 499 I N -0.773 119.936 120.570 0.232 0.000 2.623 499 I HA -0.192 3.978 4.170 -0.000 0.000 0.261 499 I C 0.108 176.309 176.117 0.141 0.000 1.204 499 I CA 1.008 62.456 61.300 0.246 0.000 1.444 499 I CB -0.493 37.578 38.000 0.118 0.000 1.094 499 I HN 0.080 nan 8.210 nan 0.000 0.451 500 N N 3.144 121.909 118.700 0.109 0.000 2.807 500 N HA 0.144 4.884 4.740 -0.000 0.000 0.259 500 N C -0.623 174.932 175.510 0.076 0.000 1.149 500 N CA 0.002 53.096 53.050 0.074 0.000 1.042 500 N CB 0.441 38.960 38.487 0.054 0.000 1.367 500 N HN 0.573 nan 8.380 nan 0.000 0.516 501 Q N 2.618 122.469 119.800 0.084 0.000 2.647 501 Q HA 0.205 4.545 4.340 -0.000 0.000 0.400 501 Q C 0.662 176.693 176.000 0.052 0.000 0.959 501 Q CA -0.494 55.352 55.803 0.071 0.000 1.079 501 Q CB 0.633 29.427 28.738 0.092 0.000 1.351 501 Q HN 0.376 nan 8.270 nan 0.000 0.411 502 L N -1.141 120.106 121.223 0.040 0.000 5.153 502 L HA -0.447 3.893 4.340 -0.000 0.000 0.053 502 L C 1.664 178.548 176.870 0.022 0.000 2.685 502 L CA 2.234 57.090 54.840 0.027 0.000 1.719 502 L CB -1.911 40.162 42.059 0.023 0.000 2.722 502 L HN 0.359 nan 8.230 nan 0.000 0.868 503 V N -1.646 118.279 119.914 0.018 0.000 2.407 503 V HA 0.049 4.168 4.120 -0.000 0.000 0.245 503 V C 0.750 176.852 176.094 0.014 0.000 1.041 503 V CA 1.877 64.185 62.300 0.013 0.000 1.040 503 V CB -0.496 31.334 31.823 0.011 0.000 0.671 503 V HN 0.933 nan 8.190 nan 0.000 0.455 504 T N -2.636 111.929 114.554 0.018 0.000 4.111 504 T HA 0.230 4.580 4.350 -0.000 0.000 0.370 504 T C -0.541 174.170 174.700 0.019 0.000 0.846 504 T CA -0.215 61.898 62.100 0.021 0.000 0.979 504 T CB -0.189 68.685 68.868 0.010 0.000 1.246 504 T HN 0.248 nan 8.240 nan 0.000 0.443 505 D N 0.390 120.806 120.400 0.028 0.000 2.835 505 D HA -0.119 4.521 4.640 -0.000 0.000 0.230 505 D C 0.346 176.656 176.300 0.017 0.000 1.130 505 D CA 1.521 55.533 54.000 0.020 0.000 0.738 505 D CB -0.490 40.314 40.800 0.007 0.000 1.090 505 D HN 0.765 nan 8.370 nan 0.000 0.433 506 E N -0.696 119.517 120.200 0.022 0.000 2.789 506 E HA 0.457 4.807 4.350 -0.000 0.000 0.208 506 E C 0.595 177.207 176.600 0.021 0.000 0.988 506 E CA -0.126 56.285 56.400 0.018 0.000 1.092 506 E CB 0.706 30.416 29.700 0.017 0.000 1.066 506 E HN 0.495 nan 8.360 nan 0.000 0.465 507 L N -2.319 118.918 121.223 0.024 0.000 2.024 507 L HA 0.361 4.700 4.340 -0.000 0.000 0.137 507 L C -0.081 176.801 176.870 0.019 0.000 1.357 507 L CA 0.053 54.905 54.840 0.021 0.000 1.059 507 L CB 0.984 43.059 42.059 0.026 0.000 2.165 507 L HN -0.004 nan 8.230 nan 0.000 0.478 508 T N 0.626 115.195 114.554 0.025 0.000 2.794 508 T HA 0.444 4.794 4.350 -0.000 0.000 0.280 508 T C 0.274 174.986 174.700 0.020 0.000 0.987 508 T CA -0.489 61.623 62.100 0.021 0.000 0.993 508 T CB 0.688 69.571 68.868 0.025 0.000 0.939 508 T HN 0.160 nan 8.240 nan 0.000 0.449 509 L N 3.621 124.848 121.223 0.006 0.000 2.122 509 L HA 0.142 4.481 4.340 -0.000 0.000 0.180 509 L C 1.789 178.660 176.870 0.003 0.000 0.997 509 L CA 1.216 56.055 54.840 -0.003 0.000 0.915 509 L CB 0.039 42.088 42.059 -0.016 0.000 1.149 509 L HN 0.859 nan 8.230 nan 0.000 0.566 510 E N -2.109 118.083 120.200 -0.014 0.000 2.571 510 E HA 0.105 4.455 4.350 -0.000 0.000 0.222 510 E C 0.275 176.857 176.600 -0.029 0.000 0.904 510 E CA 0.019 56.419 56.400 0.001 0.000 1.157 510 E CB 0.284 29.964 29.700 -0.033 0.000 1.158 510 E HN 0.493 nan 8.360 nan 0.000 0.540 511 Q N 1.362 121.135 119.800 -0.045 0.000 2.192 511 Q HA -0.066 4.274 4.340 -0.000 0.000 0.129 511 Q C -0.417 175.525 176.000 -0.098 0.000 0.937 511 Q CA 0.289 56.051 55.803 -0.068 0.000 0.988 511 Q CB -0.663 28.045 28.738 -0.049 0.000 1.590 511 Q HN 0.282 nan 8.270 nan 0.000 0.380 512 L N -0.278 120.840 121.223 -0.175 0.000 2.440 512 L HA 0.345 4.685 4.340 -0.000 0.000 0.262 512 L C -1.586 175.037 176.870 -0.410 0.000 1.072 512 L CA -2.261 52.414 54.840 -0.275 0.000 0.798 512 L CB -0.020 41.815 42.059 -0.373 0.000 1.307 512 L HN 0.000 nan 8.230 nan 0.000 0.475 513 P HA -0.002 nan 4.420 nan 0.000 0.259 513 P C 1.009 177.729 177.300 -0.966 0.000 1.480 513 P CA 0.166 62.991 63.100 -0.457 0.000 0.842 513 P CB -0.301 31.312 31.700 -0.146 0.000 1.513 514 T N -2.293 111.422 114.554 -1.398 0.000 2.699 514 T HA -0.276 4.074 4.350 -0.000 0.000 0.268 514 T C 1.769 176.093 174.700 -0.628 0.000 1.036 514 T CA 1.376 62.500 62.100 -1.627 0.000 1.147 514 T CB -1.086 66.999 68.868 -1.305 0.000 0.862 514 T HN 0.114 nan 8.240 nan 0.000 0.446 515 A N 0.890 123.508 122.820 -0.338 0.000 2.259 515 A HA 0.034 4.354 4.320 -0.000 0.000 0.212 515 A C 2.021 179.569 177.584 -0.060 0.000 1.178 515 A CA 0.984 52.956 52.037 -0.108 0.000 0.734 515 A CB -0.599 18.359 19.000 -0.070 0.000 0.774 515 A HN 0.777 nan 8.150 nan 0.000 0.481 516 Q N -2.339 117.396 119.800 -0.108 0.000 2.157 516 Q HA 0.065 4.405 4.340 -0.000 0.000 0.235 516 Q C -0.792 175.298 176.000 0.150 0.000 0.803 516 Q CA -0.618 55.196 55.803 0.018 0.000 0.967 516 Q CB 0.454 29.194 28.738 0.003 0.000 1.150 516 Q HN 0.708 nan 8.270 nan 0.000 0.482 517 W N 3.714 124.896 121.300 -0.198 0.000 2.381 517 W HA 0.093 4.752 4.660 -0.000 0.000 0.321 517 W C 1.011 177.527 176.519 -0.005 0.000 1.407 517 W CA -0.429 56.719 57.345 -0.328 0.000 1.274 517 W CB -0.044 28.751 29.460 -1.107 0.000 1.310 517 W HN -0.026 nan 8.180 nan 0.000 0.551 518 T N 1.831 116.528 114.554 0.239 0.000 2.828 518 T HA 0.051 4.401 4.350 -0.000 0.000 0.290 518 T C 1.363 176.329 174.700 0.443 0.000 1.019 518 T CA -0.878 61.407 62.100 0.307 0.000 1.031 518 T CB 0.988 69.994 68.868 0.231 0.000 1.001 518 T HN 0.400 nan 8.240 nan 0.000 0.531 519 L N 1.293 122.743 121.223 0.379 0.000 2.021 519 L HA -0.214 4.126 4.340 -0.000 0.000 0.215 519 L C 2.345 179.318 176.870 0.171 0.000 1.074 519 L CA 2.461 57.440 54.840 0.232 0.000 0.760 519 L CB -1.682 40.389 42.059 0.020 0.000 0.889 519 L HN 0.870 nan 8.230 nan 0.000 0.433 520 H N 0.053 119.228 119.070 0.175 0.000 2.387 520 H HA -0.125 4.431 4.556 -0.000 0.000 0.299 520 H C 1.875 177.353 175.328 0.250 0.000 1.099 520 H CA 1.534 57.715 56.048 0.222 0.000 1.315 520 H CB -0.234 29.648 29.762 0.199 0.000 1.380 520 H HN 0.489 nan 8.280 nan 0.000 0.513 521 E N -1.277 119.060 120.200 0.228 0.000 2.494 521 E HA -0.053 4.297 4.350 -0.000 0.000 0.193 521 E C 0.619 176.930 176.600 -0.482 0.000 1.074 521 E CA -0.013 56.295 56.400 -0.152 0.000 0.867 521 E CB 0.044 29.497 29.700 -0.411 0.000 0.924 521 E HN 0.587 nan 8.360 nan 0.000 0.502 522 W N -1.042 120.169 121.300 -0.148 0.000 2.865 522 W HA 0.250 4.910 4.660 -0.000 0.000 0.300 522 W C 1.293 177.791 176.519 -0.035 0.000 1.096 522 W CA -0.194 57.109 57.345 -0.070 0.000 1.524 522 W CB 0.745 30.220 29.460 0.024 0.000 0.991 522 W HN 0.012 nan 8.180 nan 0.000 0.571 523 L N -0.732 120.590 121.223 0.164 0.000 2.513 523 L HA 0.016 4.356 4.340 -0.000 0.000 0.222 523 L C 2.297 179.125 176.870 -0.070 0.000 1.096 523 L CA 0.538 55.418 54.840 0.066 0.000 0.857 523 L CB -0.476 41.608 42.059 0.043 0.000 1.026 523 L HN 0.135 nan 8.230 nan 0.000 0.469 524 H N -0.331 118.569 119.070 -0.284 0.000 2.384 524 H HA -0.131 4.424 4.556 -0.000 0.000 0.300 524 H C 2.086 177.240 175.328 -0.289 0.000 1.057 524 H CA 1.301 57.054 56.048 -0.491 0.000 1.370 524 H CB 0.263 29.389 29.762 -1.060 0.000 1.417 524 H HN 0.230 nan 8.280 nan 0.000 0.527 525 F N 1.910 121.635 119.950 -0.374 0.000 2.010 525 F HA -0.216 4.311 4.527 -0.000 0.000 0.296 525 F C 2.485 178.219 175.800 -0.110 0.000 1.146 525 F CA 1.767 59.602 58.000 -0.276 0.000 1.181 525 F CB -0.874 37.935 39.000 -0.318 0.000 0.965 525 F HN 0.052 nan 8.300 nan 0.000 0.480 526 I N 0.495 121.043 120.570 -0.037 0.000 2.264 526 I HA -0.360 3.810 4.170 -0.000 0.000 0.248 526 I C 2.154 178.177 176.117 -0.157 0.000 1.111 526 I CA 1.415 62.671 61.300 -0.074 0.000 1.382 526 I CB -0.805 37.285 38.000 0.150 0.000 1.060 526 I HN 0.291 nan 8.210 nan 0.000 0.418 527 N N 1.441 120.027 118.700 -0.189 0.000 2.188 527 N HA -0.127 4.613 4.740 -0.000 0.000 0.184 527 N C 0.859 176.195 175.510 -0.290 0.000 1.018 527 N CA 1.350 54.261 53.050 -0.231 0.000 0.858 527 N CB -0.232 38.109 38.487 -0.244 0.000 0.989 527 N HN 0.502 nan 8.380 nan 0.000 0.426 528 N N -0.238 118.227 118.700 -0.393 0.000 2.200 528 N HA 0.130 4.870 4.740 -0.000 0.000 0.224 528 N C -0.424 174.929 175.510 -0.261 0.000 1.179 528 N CA -0.279 52.578 53.050 -0.322 0.000 0.877 528 N CB 0.560 38.809 38.487 -0.396 0.000 1.072 528 N HN 0.014 nan 8.380 nan 0.000 0.519 529 L N 1.729 122.767 121.223 -0.308 0.000 2.483 529 L HA 0.253 4.593 4.340 -0.000 0.000 0.276 529 L C -2.174 174.586 176.870 -0.184 0.000 1.213 529 L CA -1.512 53.151 54.840 -0.295 0.000 0.843 529 L CB 0.137 41.941 42.059 -0.425 0.000 1.107 529 L HN 0.065 nan 8.230 nan 0.000 0.487 530 P HA 0.165 nan 4.420 nan 0.000 0.288 530 P C 0.106 177.354 177.300 -0.087 0.000 1.267 530 P CA -0.446 62.598 63.100 -0.093 0.000 0.815 530 P CB 1.008 32.670 31.700 -0.064 0.000 0.989 531 V N 0.763 120.633 119.914 -0.074 0.000 3.630 531 V HA -0.022 4.098 4.120 -0.000 0.000 0.273 531 V C 0.290 176.353 176.094 -0.051 0.000 1.248 531 V CA 1.356 63.615 62.300 -0.069 0.000 1.170 531 V CB -1.051 30.735 31.823 -0.062 0.000 0.899 531 V HN 0.511 nan 8.190 nan 0.000 0.457 532 D N -0.058 120.315 120.400 -0.044 0.000 3.058 532 D HA 0.275 4.915 4.640 -0.000 0.000 0.272 532 D C 0.807 177.091 176.300 -0.026 0.000 1.350 532 D CA 0.012 53.995 54.000 -0.028 0.000 0.863 532 D CB 1.251 42.038 40.800 -0.021 0.000 1.064 532 D HN 0.196 nan 8.370 nan 0.000 0.488 533 L N -0.093 121.107 121.223 -0.038 0.000 2.500 533 L HA 0.099 4.438 4.340 -0.000 0.000 0.219 533 L C 1.300 178.156 176.870 -0.023 0.000 1.057 533 L CA 0.397 55.212 54.840 -0.042 0.000 0.854 533 L CB 0.006 42.020 42.059 -0.074 0.000 1.078 533 L HN -0.053 nan 8.230 nan 0.000 0.480 534 D N -0.189 120.204 120.400 -0.012 0.000 4.304 534 D HA -0.417 4.223 4.640 -0.000 0.000 0.242 534 D C 1.351 177.730 176.300 0.132 0.000 0.625 534 D CA 2.411 56.443 54.000 0.053 0.000 0.997 534 D CB -0.764 40.074 40.800 0.063 0.000 0.459 534 D HN 0.460 nan 8.370 nan 0.000 0.378 535 H N 1.734 120.841 119.070 0.061 0.000 2.586 535 H HA 0.112 4.668 4.556 -0.000 0.000 0.273 535 H C 1.029 176.393 175.328 0.060 0.000 0.997 535 H CA 0.094 56.211 56.048 0.115 0.000 1.177 535 H CB 0.532 30.350 29.762 0.093 0.000 1.471 535 H HN 0.116 nan 8.280 nan 0.000 0.538 539 V N -0.868 118.976 119.914 -0.116 0.000 3.137 539 V HA 0.168 4.288 4.120 -0.000 0.000 0.236 539 V C 1.687 177.777 176.094 -0.007 0.000 1.260 539 V CA 0.808 63.111 62.300 0.005 0.000 1.244 539 V CB -0.313 31.469 31.823 -0.069 0.000 1.016 539 V HN 0.334 nan 8.190 nan 0.000 0.477 540 N N 1.542 120.205 118.700 -0.061 0.000 2.089 540 N HA -0.230 4.509 4.740 -0.000 0.000 0.198 540 N C 1.767 177.176 175.510 -0.170 0.000 1.017 540 N CA 1.839 54.825 53.050 -0.107 0.000 0.880 540 N CB -0.625 37.810 38.487 -0.087 0.000 1.042 540 N HN 0.341 nan 8.380 nan 0.000 0.446 541 L N 0.595 121.779 121.223 -0.064 0.000 1.943 541 L HA -0.219 4.121 4.340 -0.000 0.000 0.215 541 L C 2.214 179.024 176.870 -0.101 0.000 1.074 541 L CA 2.060 56.895 54.840 -0.008 0.000 0.759 541 L CB -0.806 41.362 42.059 0.181 0.000 0.888 541 L HN 0.176 nan 8.230 nan 0.000 0.433 542 D N -0.122 120.290 120.400 0.020 0.000 2.084 542 D HA -0.242 4.398 4.640 -0.000 0.000 0.194 542 D C 2.087 178.385 176.300 -0.003 0.000 0.990 542 D CA 1.353 55.385 54.000 0.054 0.000 0.826 542 D CB 0.088 41.208 40.800 0.533 0.000 0.971 542 D HN -0.104 nan 8.370 nan 0.000 0.453 543 K N 0.435 120.839 120.400 0.007 0.000 2.147 543 K HA 0.051 4.371 4.320 -0.000 0.000 0.205 543 K C 1.719 178.240 176.600 -0.132 0.000 1.049 543 K CA 1.391 57.658 56.287 -0.034 0.000 0.936 543 K CB -0.807 31.687 32.500 -0.011 0.000 0.722 543 K HN 0.161 nan 8.250 nan 0.000 0.446 544 A N -0.208 122.442 122.820 -0.283 0.000 1.832 544 A HA -0.055 4.265 4.320 -0.000 0.000 0.214 544 A C 1.854 179.226 177.584 -0.354 0.000 1.200 544 A CA 1.613 53.374 52.037 -0.460 0.000 0.610 544 A CB -0.771 17.701 19.000 -0.879 0.000 0.842 544 A HN 0.301 nan 8.150 nan 0.000 0.444 545 F N -0.252 119.655 119.950 -0.071 0.000 2.743 545 F HA 0.172 4.699 4.527 -0.000 0.000 0.297 545 F C 0.649 176.313 175.800 -0.225 0.000 1.131 545 F CA -0.268 57.652 58.000 -0.134 0.000 1.426 545 F CB -0.494 38.431 39.000 -0.124 0.000 1.116 545 F HN 0.354 nan 8.300 nan 0.000 0.583 546 D N 1.516 121.872 120.400 -0.073 0.000 3.205 546 D HA -0.189 4.451 4.640 -0.000 0.000 0.227 546 D C 0.450 176.593 176.300 -0.261 0.000 1.171 546 D CA 0.165 54.098 54.000 -0.111 0.000 0.929 546 D CB -0.536 40.236 40.800 -0.047 0.000 0.900 546 D HN 0.187 nan 8.370 nan 0.000 0.404 547 L N 2.003 122.885 121.223 -0.567 0.000 2.492 547 L HA 0.046 4.386 4.340 -0.000 0.000 0.223 547 L C 2.697 179.165 176.870 -0.669 0.000 1.132 547 L CA 0.901 55.196 54.840 -0.908 0.000 0.850 547 L CB -0.458 40.569 42.059 -1.720 0.000 0.966 547 L HN 0.198 nan 8.230 nan 0.000 0.454 548 T N -0.156 114.289 114.554 -0.181 0.000 2.643 548 T HA -0.168 4.181 4.350 -0.000 0.000 0.264 548 T C 1.373 176.185 174.700 0.187 0.000 1.045 548 T CA 1.777 64.091 62.100 0.357 0.000 1.155 548 T CB -0.376 68.771 68.868 0.464 0.000 0.863 548 T HN 0.437 nan 8.240 nan 0.000 0.420 549 N N 1.753 120.506 118.700 0.088 0.000 2.362 549 N HA 0.098 4.837 4.740 -0.000 0.000 0.204 549 N C -0.066 175.444 175.510 0.000 0.000 1.166 549 N CA -0.458 52.637 53.050 0.074 0.000 0.831 549 N CB 0.112 38.638 38.487 0.066 0.000 1.008 549 N HN 0.335 nan 8.380 nan 0.000 0.472 550 S N -0.293 115.357 115.700 -0.083 0.000 2.563 550 S HA -0.053 4.417 4.470 -0.000 0.000 0.294 550 S C 1.361 175.921 174.600 -0.067 0.000 1.279 550 S CA -0.507 57.606 58.200 -0.145 0.000 1.069 550 S CB 1.651 64.692 63.200 -0.264 0.000 0.828 550 S HN 0.186 nan 8.310 nan 0.000 0.497 551 S N 2.928 118.590 115.700 -0.062 0.000 2.361 551 S HA -0.167 4.303 4.470 -0.000 0.000 0.214 551 S C 1.067 175.664 174.600 -0.004 0.000 1.034 551 S CA 0.800 58.991 58.200 -0.016 0.000 1.025 551 S CB -0.805 62.381 63.200 -0.025 0.000 0.996 551 S HN 0.901 nan 8.310 nan 0.000 0.422 552 N N 1.270 119.945 118.700 -0.041 0.000 2.294 552 N HA 0.002 4.742 4.740 -0.000 0.000 0.263 552 N C 0.882 176.397 175.510 0.009 0.000 1.281 552 N CA 0.712 53.749 53.050 -0.021 0.000 0.846 552 N CB 1.036 39.487 38.487 -0.059 0.000 1.061 552 N HN 0.442 nan 8.380 nan 0.000 0.478 553 A N 4.966 127.831 122.820 0.076 0.000 1.930 553 A HA -0.118 4.202 4.320 -0.000 0.000 0.217 553 A C 1.853 179.520 177.584 0.138 0.000 1.175 553 A CA 0.986 53.129 52.037 0.177 0.000 0.627 553 A CB -0.251 18.879 19.000 0.217 0.000 0.815 553 A HN 0.800 nan 8.150 nan 0.000 0.443 554 E N 0.067 120.311 120.200 0.072 0.000 2.070 554 E HA -0.194 4.156 4.350 -0.000 0.000 0.197 554 E C 2.023 178.648 176.600 0.043 0.000 1.004 554 E CA 1.130 57.569 56.400 0.066 0.000 0.805 554 E CB -0.393 29.314 29.700 0.012 0.000 0.744 554 E HN 0.537 nan 8.360 nan 0.000 0.451 555 I N 1.172 121.719 120.570 -0.039 0.000 2.099 555 I HA -0.252 3.918 4.170 -0.000 0.000 0.239 555 I C 2.548 178.562 176.117 -0.172 0.000 1.066 555 I CA 1.285 62.517 61.300 -0.112 0.000 1.324 555 I CB -1.586 36.282 38.000 -0.221 0.000 1.037 555 I HN -0.022 nan 8.210 nan 0.000 0.401 556 A N -0.171 122.498 122.820 -0.252 0.000 1.958 556 A HA -0.322 3.998 4.320 -0.000 0.000 0.221 556 A C 2.265 179.366 177.584 -0.804 0.000 1.178 556 A CA 2.456 54.136 52.037 -0.594 0.000 0.642 556 A CB -1.111 17.567 19.000 -0.536 0.000 0.816 556 A HN 0.638 nan 8.150 nan 0.000 0.453 557 H N -0.217 118.604 119.070 -0.415 0.000 2.261 557 H HA 0.105 4.661 4.556 -0.000 0.000 0.301 557 H C 2.247 177.497 175.328 -0.130 0.000 1.067 557 H CA 2.171 58.093 56.048 -0.209 0.000 1.297 557 H CB -0.587 29.184 29.762 0.015 0.000 1.377 557 H HN 0.342 nan 8.280 nan 0.000 0.492 558 A N 1.192 123.892 122.820 -0.199 0.000 1.986 558 A HA -0.227 4.093 4.320 -0.000 0.000 0.220 558 A C 2.534 180.070 177.584 -0.080 0.000 1.171 558 A CA 1.631 53.562 52.037 -0.176 0.000 0.640 558 A CB -1.618 17.369 19.000 -0.021 0.000 0.811 558 A HN 0.832 nan 8.150 nan 0.000 0.451 559 W N -0.454 120.658 121.300 -0.314 0.000 2.380 559 W HA -0.235 4.425 4.660 -0.000 0.000 0.317 559 W C 1.854 178.274 176.519 -0.164 0.000 1.196 559 W CA 1.765 58.956 57.345 -0.256 0.000 1.307 559 W CB -0.359 28.890 29.460 -0.352 0.000 1.157 559 W HN 0.472 nan 8.180 nan 0.000 0.483 560 Y N 0.674 120.842 120.300 -0.221 0.000 2.224 560 Y HA -0.251 4.299 4.550 -0.000 0.000 0.289 560 Y C 2.441 178.133 175.900 -0.346 0.000 1.146 560 Y CA 1.110 58.991 58.100 -0.364 0.000 1.182 560 Y CB -1.732 36.554 38.460 -0.289 0.000 0.983 560 Y HN -0.026 nan 8.280 nan 0.000 0.524 561 L N -0.305 120.801 121.223 -0.195 0.000 2.012 561 L HA -0.194 4.146 4.340 -0.000 0.000 0.210 561 L C 2.295 179.057 176.870 -0.179 0.000 1.073 561 L CA 1.526 56.234 54.840 -0.221 0.000 0.748 561 L CB -1.065 40.793 42.059 -0.335 0.000 0.891 561 L HN 0.262 nan 8.230 nan 0.000 0.431 562 L N -1.437 119.669 121.223 -0.196 0.000 2.044 562 L HA -0.116 4.224 4.340 -0.000 0.000 0.205 562 L C 2.467 179.196 176.870 -0.236 0.000 1.075 562 L CA 1.878 56.606 54.840 -0.187 0.000 0.747 562 L CB -0.763 41.206 42.059 -0.152 0.000 0.903 562 L HN 0.280 nan 8.230 nan 0.000 0.435 563 S N -0.734 114.739 115.700 -0.378 0.000 2.392 563 S HA -0.293 4.177 4.470 -0.000 0.000 0.225 563 S C 1.933 176.464 174.600 -0.115 0.000 1.041 563 S CA 1.886 59.912 58.200 -0.290 0.000 1.100 563 S CB -1.077 61.900 63.200 -0.372 0.000 1.029 563 S HN 0.425 nan 8.310 nan 0.000 0.424 564 V N 2.336 122.167 119.914 -0.138 0.000 2.370 564 V HA -0.287 3.833 4.120 -0.000 0.000 0.252 564 V C 2.380 178.459 176.094 -0.025 0.000 1.068 564 V CA 1.975 64.236 62.300 -0.065 0.000 1.061 564 V CB -0.518 31.222 31.823 -0.138 0.000 0.656 564 V HN 0.360 nan 8.190 nan 0.000 0.455 565 R N 0.085 120.549 120.500 -0.059 0.000 2.088 565 R HA -0.099 4.241 4.340 -0.000 0.000 0.232 565 R C 2.276 178.557 176.300 -0.033 0.000 1.136 565 R CA 1.694 57.767 56.100 -0.045 0.000 0.926 565 R CB -0.792 29.468 30.300 -0.066 0.000 0.837 565 R HN 0.558 nan 8.270 nan 0.000 0.429 566 A N 1.027 123.820 122.820 -0.046 0.000 2.248 566 A HA -0.074 4.246 4.320 -0.000 0.000 0.210 566 A C -0.314 177.277 177.584 0.012 0.000 1.174 566 A CA 0.720 52.741 52.037 -0.026 0.000 0.750 566 A CB -0.182 18.788 19.000 -0.051 0.000 0.780 566 A HN 0.438 nan 8.150 nan 0.000 0.478 567 D N -2.839 117.576 120.400 0.024 0.000 2.718 567 D HA -0.211 4.429 4.640 -0.000 0.000 0.242 567 D C -0.318 176.040 176.300 0.097 0.000 1.123 567 D CA 0.884 54.909 54.000 0.042 0.000 0.690 567 D CB -2.078 38.727 40.800 0.009 0.000 1.059 567 D HN 0.750 nan 8.370 nan 0.000 0.429 568 Y N 0.460 120.725 120.300 -0.059 0.000 2.667 568 Y HA 0.188 4.737 4.550 -0.000 0.000 0.340 568 Y C 1.050 176.943 175.900 -0.011 0.000 1.303 568 Y CA -0.649 57.416 58.100 -0.059 0.000 1.769 568 Y CB 0.173 38.512 38.460 -0.202 0.000 1.804 568 Y HN -0.181 nan 8.280 nan 0.000 0.451 569 K N 1.574 121.887 120.400 -0.146 0.000 2.551 569 K HA -0.094 4.226 4.320 -0.000 0.000 0.192 569 K C 1.471 177.938 176.600 -0.221 0.000 1.027 569 K CA 0.366 56.540 56.287 -0.189 0.000 1.059 569 K CB 0.156 32.438 32.500 -0.364 0.000 0.831 569 K HN 0.536 nan 8.250 nan 0.000 0.508 570 E N 0.232 120.175 120.200 -0.428 0.000 2.230 570 E HA -0.076 4.273 4.350 -0.000 0.000 0.192 570 E C 0.947 177.397 176.600 -0.250 0.000 0.987 570 E CA 0.578 56.733 56.400 -0.409 0.000 0.841 570 E CB 0.306 29.606 29.700 -0.667 0.000 0.783 570 E HN 0.104 nan 8.360 nan 0.000 0.481 571 V N -0.578 119.183 119.914 -0.254 0.000 3.331 571 V HA 0.210 4.330 4.120 -0.000 0.000 0.332 571 V C 0.910 176.902 176.094 -0.170 0.000 1.341 571 V CA -0.209 62.043 62.300 -0.081 0.000 1.218 571 V CB -1.198 30.652 31.823 0.046 0.000 1.152 571 V HN 0.056 nan 8.190 nan 0.000 0.445 572 Y N 1.996 122.100 120.300 -0.327 0.000 2.200 572 Y HA 0.066 4.616 4.550 -0.000 0.000 0.290 572 Y C 0.585 176.465 175.900 -0.034 0.000 1.137 572 Y CA 1.926 59.784 58.100 -0.403 0.000 1.163 572 Y CB -1.498 36.514 38.460 -0.748 0.000 0.988 572 Y HN 0.364 nan 8.280 nan 0.000 0.518 573 P HA -0.182 nan 4.420 nan 0.000 0.214 573 P C 1.350 178.721 177.300 0.118 0.000 1.162 573 P CA 2.231 65.435 63.100 0.174 0.000 0.879 573 P CB -0.087 31.680 31.700 0.113 0.000 0.786 574 A N -0.067 122.793 122.820 0.067 0.000 1.978 574 A HA -0.160 4.160 4.320 -0.000 0.000 0.220 574 A C 2.437 179.987 177.584 -0.057 0.000 1.170 574 A CA 1.901 53.990 52.037 0.086 0.000 0.636 574 A CB -1.494 17.623 19.000 0.195 0.000 0.810 574 A HN 0.173 nan 8.150 nan 0.000 0.448 575 M N -0.797 118.568 119.600 -0.390 0.000 2.254 575 M HA -0.033 4.447 4.480 -0.000 0.000 0.265 575 M C 2.248 178.501 176.300 -0.079 0.000 1.066 575 M CA 1.239 56.112 55.300 -0.711 0.000 1.123 575 M CB -0.254 31.854 32.600 -0.820 0.000 1.388 575 M HN 0.457 nan 8.290 nan 0.000 0.425 576 A N 0.821 123.709 122.820 0.113 0.000 1.835 576 A HA -0.238 4.082 4.320 -0.000 0.000 0.215 576 A C 2.116 179.739 177.584 0.065 0.000 1.199 576 A CA 2.119 54.207 52.037 0.084 0.000 0.615 576 A CB -0.880 18.236 19.000 0.193 0.000 0.838 576 A HN 0.527 nan 8.150 nan 0.000 0.444 577 K N -1.895 118.565 120.400 0.100 0.000 2.113 577 K HA -0.245 4.075 4.320 -0.000 0.000 0.208 577 K C 1.922 178.608 176.600 0.145 0.000 1.047 577 K CA 2.021 58.372 56.287 0.106 0.000 0.928 577 K CB -0.383 32.187 32.500 0.116 0.000 0.716 577 K HN 0.579 nan 8.250 nan 0.000 0.446 578 Y N 1.201 121.534 120.300 0.055 0.000 2.145 578 Y HA -0.209 4.341 4.550 -0.000 0.000 0.286 578 Y C 1.774 177.721 175.900 0.079 0.000 1.145 578 Y CA 1.615 59.777 58.100 0.103 0.000 1.148 578 Y CB -0.141 38.434 38.460 0.191 0.000 0.981 578 Y HN 0.005 nan 8.280 nan 0.000 0.507 579 L N -0.169 121.134 121.223 0.133 0.000 2.093 579 L HA -0.209 4.131 4.340 -0.000 0.000 0.208 579 L C 2.269 179.229 176.870 0.150 0.000 1.085 579 L CA 1.620 56.492 54.840 0.052 0.000 0.755 579 L CB -0.431 41.591 42.059 -0.062 0.000 0.904 579 L HN 0.154 nan 8.230 nan 0.000 0.435 580 K N -0.674 119.779 120.400 0.088 0.000 2.103 580 K HA -0.047 4.273 4.320 -0.000 0.000 0.204 580 K C 2.248 178.895 176.600 0.079 0.000 1.052 580 K CA 1.185 57.508 56.287 0.060 0.000 0.945 580 K CB -0.047 32.456 32.500 0.003 0.000 0.722 580 K HN 0.128 nan 8.250 nan 0.000 0.443 581 S N 1.292 117.024 115.700 0.053 0.000 2.325 581 S HA -0.020 4.450 4.470 -0.000 0.000 0.213 581 S C 1.098 175.715 174.600 0.029 0.000 1.031 581 S CA 0.541 58.760 58.200 0.032 0.000 0.984 581 S CB -0.169 63.042 63.200 0.018 0.000 0.939 581 S HN 0.328 nan 8.310 nan 0.000 0.438 582 I N 0.532 121.055 120.570 -0.079 0.000 2.532 582 I HA 0.518 4.688 4.170 -0.000 0.000 0.292 582 I C 0.688 176.756 176.117 -0.081 0.000 1.014 582 I CA -0.208 61.026 61.300 -0.111 0.000 1.340 582 I CB 1.360 39.198 38.000 -0.269 0.000 1.422 582 I HN 0.310 nan 8.210 nan 0.000 0.528 583 G N 6.413 115.148 108.800 -0.108 0.000 3.695 583 G HA2 0.127 4.087 3.960 -0.000 0.000 0.277 583 G HA3 0.127 4.087 3.960 -0.000 0.000 0.277 583 G C 0.465 175.159 174.900 -0.344 0.000 1.001 583 G CA -0.508 44.393 45.100 -0.332 0.000 0.837 583 G HN 0.673 nan 8.290 nan 0.000 0.492 584 R N 0.840 121.190 120.500 -0.251 0.000 2.522 584 R HA 0.229 4.569 4.340 -0.000 0.000 0.284 584 R C 1.370 177.466 176.300 -0.341 0.000 1.032 584 R CA -0.211 55.730 56.100 -0.265 0.000 1.049 584 R CB 0.490 30.686 30.300 -0.174 0.000 0.956 584 R HN 0.179 nan 8.270 nan 0.000 0.422 585 R N 2.361 122.610 120.500 -0.418 0.000 2.056 585 R HA -0.092 4.248 4.340 -0.000 0.000 0.227 585 R C 1.086 177.194 176.300 -0.320 0.000 1.149 585 R CA 1.283 57.146 56.100 -0.396 0.000 0.937 585 R CB -0.262 29.723 30.300 -0.526 0.000 0.835 585 R HN 0.487 nan 8.270 nan 0.000 0.430 586 K N 1.515 121.708 120.400 -0.344 0.000 3.414 586 K HA -0.104 4.216 4.320 -0.000 0.000 0.297 586 K C -0.128 176.271 176.600 -0.334 0.000 0.885 586 K CA 0.586 56.699 56.287 -0.291 0.000 1.051 586 K CB -0.066 32.276 32.500 -0.263 0.000 1.158 586 K HN 0.060 nan 8.250 nan 0.000 0.365 587 L N 0.725 121.744 121.223 -0.340 0.000 4.368 587 L HA 0.152 4.491 4.340 -0.000 0.000 0.430 587 L C 0.443 177.240 176.870 -0.121 0.000 1.098 587 L CA 0.205 54.802 54.840 -0.406 0.000 1.557 587 L CB 0.553 42.468 42.059 -0.240 0.000 1.638 587 L HN 0.382 nan 8.230 nan 0.000 0.622 588 I N -7.149 113.350 120.570 -0.118 0.000 4.866 588 I HA 0.216 4.385 4.170 -0.000 0.000 0.325 588 I C 1.344 177.439 176.117 -0.037 0.000 1.240 588 I CA 0.122 61.375 61.300 -0.079 0.000 1.355 588 I CB 0.031 37.940 38.000 -0.151 0.000 1.395 588 I HN -0.217 nan 8.210 nan 0.000 0.479 589 V N 3.612 123.508 119.914 -0.031 0.000 2.214 589 V HA -0.118 4.001 4.120 -0.000 0.000 0.247 589 V C -0.058 176.076 176.094 0.066 0.000 1.051 589 V CA 3.078 65.391 62.300 0.021 0.000 1.003 589 V CB -1.966 29.808 31.823 -0.081 0.000 0.635 589 V HN 0.337 nan 8.190 nan 0.000 0.447 590 P HA -0.157 nan 4.420 nan 0.000 0.219 590 P C 1.846 179.210 177.300 0.107 0.000 1.146 590 P CA 1.334 64.493 63.100 0.099 0.000 0.808 590 P CB -0.003 31.787 31.700 0.151 0.000 0.779 591 L N -1.388 119.911 121.223 0.126 0.000 2.027 591 L HA -0.115 4.224 4.340 -0.000 0.000 0.206 591 L C 2.633 179.508 176.870 0.008 0.000 1.074 591 L CA 1.813 56.676 54.840 0.037 0.000 0.745 591 L CB -1.662 40.408 42.059 0.018 0.000 0.898 591 L HN -0.139 nan 8.230 nan 0.000 0.433 592 Y N -0.140 120.189 120.300 0.048 0.000 2.421 592 Y HA -0.180 4.370 4.550 -0.000 0.000 0.292 592 Y C 2.321 178.221 175.900 0.001 0.000 1.136 592 Y CA 0.860 58.964 58.100 0.006 0.000 1.255 592 Y CB -0.453 37.965 38.460 -0.070 0.000 0.991 592 Y HN 0.211 nan 8.280 nan 0.000 0.552 593 K N -0.218 120.271 120.400 0.149 0.000 1.980 593 K HA -0.126 4.193 4.320 -0.000 0.000 0.208 593 K C 1.946 178.590 176.600 0.074 0.000 1.043 593 K CA 1.266 57.604 56.287 0.085 0.000 0.938 593 K CB -0.170 32.364 32.500 0.056 0.000 0.724 593 K HN 0.125 nan 8.250 nan 0.000 0.438 594 E N 1.172 121.407 120.200 0.058 0.000 2.130 594 E HA -0.205 4.144 4.350 -0.000 0.000 0.196 594 E C 2.083 178.723 176.600 0.067 0.000 0.998 594 E CA 0.914 57.339 56.400 0.041 0.000 0.806 594 E CB -0.249 29.457 29.700 0.009 0.000 0.738 594 E HN 0.108 nan 8.360 nan 0.000 0.459 595 L N 0.749 122.032 121.223 0.101 0.000 2.017 595 L HA -0.075 4.265 4.340 -0.000 0.000 0.208 595 L C 1.303 178.277 176.870 0.174 0.000 1.073 595 L CA 1.591 56.530 54.840 0.165 0.000 0.745 595 L CB -0.555 41.647 42.059 0.237 0.000 0.894 595 L HN -0.037 nan 8.230 nan 0.000 0.432 596 A N -0.623 122.287 122.820 0.149 0.000 3.126 596 A HA 0.312 4.632 4.320 -0.000 0.000 0.268 596 A C 0.736 178.364 177.584 0.074 0.000 1.605 596 A CA -0.083 52.020 52.037 0.110 0.000 1.305 596 A CB -0.618 18.431 19.000 0.081 0.000 1.160 596 A HN 0.432 nan 8.150 nan 0.000 0.609 597 K N -0.011 120.433 120.400 0.073 0.000 2.702 597 K HA 0.112 4.432 4.320 -0.000 0.000 0.182 597 K C -0.634 175.993 176.600 0.046 0.000 1.167 597 K CA -0.096 56.220 56.287 0.049 0.000 1.128 597 K CB 0.411 32.935 32.500 0.040 0.000 0.838 597 K HN 0.461 nan 8.250 nan 0.000 0.491 598 N N 0.139 118.874 118.700 0.057 0.000 2.747 598 N HA 0.232 4.972 4.740 -0.000 0.000 0.262 598 N C 0.241 175.787 175.510 0.060 0.000 1.261 598 N CA 0.030 53.109 53.050 0.048 0.000 0.809 598 N CB 1.183 39.700 38.487 0.051 0.000 1.450 598 N HN 0.040 nan 8.380 nan 0.000 0.560 599 A N 2.123 124.971 122.820 0.047 0.000 2.023 599 A HA -0.280 4.040 4.320 -0.000 0.000 0.223 599 A C 1.791 179.413 177.584 0.063 0.000 1.180 599 A CA 2.202 54.270 52.037 0.050 0.000 0.659 599 A CB -0.450 18.570 19.000 0.034 0.000 0.817 599 A HN 0.819 nan 8.150 nan 0.000 0.466 600 E N -1.216 119.017 120.200 0.055 0.000 2.112 600 E HA -0.097 4.252 4.350 -0.000 0.000 0.190 600 E C 2.199 178.858 176.600 0.098 0.000 0.979 600 E CA 1.013 57.446 56.400 0.054 0.000 0.814 600 E CB -0.132 29.578 29.700 0.016 0.000 0.762 600 E HN 0.575 nan 8.360 nan 0.000 0.460 601 S N 0.422 116.189 115.700 0.112 0.000 2.362 601 S HA -0.123 4.347 4.470 -0.000 0.000 0.221 601 S C 1.960 176.723 174.600 0.272 0.000 1.032 601 S CA 1.289 59.609 58.200 0.201 0.000 0.973 601 S CB -0.199 63.104 63.200 0.172 0.000 0.849 601 S HN 0.223 nan 8.310 nan 0.000 0.465 602 K N 0.536 121.046 120.400 0.184 0.000 2.293 602 K HA -0.113 4.207 4.320 -0.000 0.000 0.204 602 K C 1.797 178.492 176.600 0.159 0.000 1.045 602 K CA 1.237 57.620 56.287 0.161 0.000 0.933 602 K CB -0.361 32.198 32.500 0.098 0.000 0.736 602 K HN 0.431 nan 8.250 nan 0.000 0.463 603 A N -0.057 122.865 122.820 0.169 0.000 1.935 603 A HA -0.111 4.209 4.320 -0.000 0.000 0.214 603 A C 1.750 179.458 177.584 0.207 0.000 1.178 603 A CA 0.750 52.877 52.037 0.149 0.000 0.640 603 A CB -0.817 18.254 19.000 0.119 0.000 0.825 603 A HN 0.669 nan 8.150 nan 0.000 0.447 604 W N 1.218 122.578 121.300 0.099 0.000 2.350 604 W HA -0.141 4.518 4.660 -0.000 0.000 0.289 604 W C 2.245 178.859 176.519 0.159 0.000 1.215 604 W CA 1.692 59.115 57.345 0.129 0.000 1.236 604 W CB -0.153 29.422 29.460 0.191 0.000 1.130 604 W HN 0.375 nan 8.180 nan 0.000 0.541 605 A N -0.017 122.932 122.820 0.217 0.000 1.828 605 A HA -0.227 4.093 4.320 -0.000 0.000 0.215 605 A C 2.086 179.689 177.584 0.030 0.000 1.203 605 A CA 2.847 54.964 52.037 0.133 0.000 0.614 605 A CB -1.397 17.745 19.000 0.237 0.000 0.844 605 A HN 0.148 nan 8.150 nan 0.000 0.445 606 V N 0.553 120.492 119.914 0.041 0.000 2.313 606 V HA -0.310 3.810 4.120 -0.000 0.000 0.253 606 V C 2.574 178.661 176.094 -0.011 0.000 1.070 606 V CA 2.408 64.732 62.300 0.040 0.000 1.057 606 V CB -0.928 30.918 31.823 0.038 0.000 0.653 606 V HN 0.528 nan 8.190 nan 0.000 0.450 607 E N 0.034 120.204 120.200 -0.050 0.000 2.110 607 E HA -0.142 4.208 4.350 -0.000 0.000 0.193 607 E C 2.264 178.767 176.600 -0.161 0.000 0.988 607 E CA 1.728 58.072 56.400 -0.093 0.000 0.804 607 E CB -0.390 29.270 29.700 -0.067 0.000 0.745 607 E HN 0.716 nan 8.360 nan 0.000 0.458 608 V N -1.443 118.323 119.914 -0.248 0.000 2.500 608 V HA -0.064 4.056 4.120 -0.000 0.000 0.243 608 V C 2.167 178.217 176.094 -0.072 0.000 1.039 608 V CA 0.946 63.107 62.300 -0.231 0.000 1.053 608 V CB -0.986 30.571 31.823 -0.444 0.000 0.695 608 V HN 0.080 nan 8.190 nan 0.000 0.463 609 Y N 1.918 122.135 120.300 -0.139 0.000 2.651 609 Y HA 0.058 4.608 4.550 -0.000 0.000 0.296 609 Y C 1.977 177.753 175.900 -0.207 0.000 1.150 609 Y CA 1.224 59.209 58.100 -0.192 0.000 1.348 609 Y CB -0.268 37.963 38.460 -0.381 0.000 0.983 609 Y HN 0.236 nan 8.280 nan 0.000 0.555 610 K N -0.514 119.727 120.400 -0.266 0.000 2.379 610 K HA 0.053 4.373 4.320 -0.000 0.000 0.194 610 K C 1.740 178.176 176.600 -0.273 0.000 1.031 610 K CA 0.460 56.566 56.287 -0.302 0.000 1.037 610 K CB 0.208 32.605 32.500 -0.172 0.000 0.824 610 K HN 0.267 nan 8.250 nan 0.000 0.516 611 Q N -1.132 118.524 119.800 -0.242 0.000 2.304 611 Q HA 0.251 4.591 4.340 -0.000 0.000 0.204 611 Q C 1.741 177.587 176.000 -0.257 0.000 0.936 611 Q CA 1.144 56.828 55.803 -0.199 0.000 0.878 611 Q CB 0.168 28.823 28.738 -0.137 0.000 0.983 611 Q HN 0.197 nan 8.270 nan 0.000 0.516 612 A N 0.934 123.560 122.820 -0.324 0.000 2.132 612 A HA -0.025 4.295 4.320 -0.000 0.000 0.213 612 A C 1.999 178.985 177.584 -0.996 0.000 1.154 612 A CA 0.329 52.064 52.037 -0.503 0.000 0.753 612 A CB -0.083 18.737 19.000 -0.299 0.000 0.826 612 A HN -0.001 nan 8.150 nan 0.000 0.469 613 R N 0.850 120.832 120.500 -0.864 0.000 2.097 613 R HA -0.065 4.274 4.340 -0.000 0.000 0.236 613 R C -1.724 174.273 176.300 -0.505 0.000 1.135 613 R CA 1.359 56.928 56.100 -0.886 0.000 0.934 613 R CB -1.731 28.038 30.300 -0.886 0.000 0.846 613 R HN 0.345 nan 8.270 nan 0.000 0.431 614 P HA 0.140 nan 4.420 nan 0.000 0.276 614 P C 0.234 177.447 177.300 -0.145 0.000 1.253 614 P CA 1.124 64.110 63.100 -0.190 0.000 0.766 614 P CB 1.036 32.643 31.700 -0.156 0.000 0.845 615 G N 2.797 111.575 108.800 -0.037 0.000 2.541 615 G HA2 -0.202 3.757 3.960 -0.000 0.000 0.201 615 G HA3 -0.202 3.757 3.960 -0.000 0.000 0.201 615 G C -0.196 174.825 174.900 0.202 0.000 1.026 615 G CA -0.509 44.619 45.100 0.047 0.000 0.687 615 G HN 0.368 nan 8.290 nan 0.000 0.492 616 Y N 2.829 123.162 120.300 0.055 0.000 2.511 616 Y HA 0.421 4.971 4.550 -0.000 0.000 0.347 616 Y C 1.261 177.242 175.900 0.135 0.000 1.257 616 Y CA -0.682 57.481 58.100 0.104 0.000 1.469 616 Y CB 0.093 38.624 38.460 0.119 0.000 1.353 616 Y HN 0.338 nan 8.280 nan 0.000 0.617 617 H N 0.866 120.066 119.070 0.217 0.000 2.615 617 H HA 0.124 4.680 4.556 -0.000 0.000 0.363 617 H C 1.205 176.602 175.328 0.114 0.000 1.148 617 H CA 0.397 56.536 56.048 0.152 0.000 1.401 617 H CB 1.276 31.141 29.762 0.172 0.000 1.461 617 H HN 0.824 nan 8.280 nan 0.000 0.588 618 G N 3.865 112.788 108.800 0.205 0.000 2.469 618 G HA2 -0.237 3.723 3.960 -0.000 0.000 0.219 618 G HA3 -0.237 3.723 3.960 -0.000 0.000 0.219 618 G C 1.839 176.894 174.900 0.259 0.000 1.150 618 G CA 0.789 46.006 45.100 0.195 0.000 0.763 618 G HN 0.648 nan 8.290 nan 0.000 0.561 619 L N 0.344 121.812 121.223 0.408 0.000 2.261 619 L HA -0.078 4.262 4.340 -0.000 0.000 0.216 619 L C 3.128 179.994 176.870 -0.008 0.000 1.114 619 L CA 0.874 55.782 54.840 0.113 0.000 0.777 619 L CB -0.272 41.790 42.059 0.005 0.000 0.910 619 L HN 0.384 nan 8.230 nan 0.000 0.440 620 A N -0.694 122.142 122.820 0.027 0.000 1.919 620 A HA -0.080 4.240 4.320 -0.000 0.000 0.211 620 A C 2.092 179.708 177.584 0.053 0.000 1.310 620 A CA 0.297 52.290 52.037 -0.073 0.000 0.651 620 A CB -0.376 18.515 19.000 -0.181 0.000 0.996 620 A HN 0.290 nan 8.150 nan 0.000 0.479 621 Q N -0.134 119.806 119.800 0.234 0.000 2.124 621 Q HA -0.280 4.060 4.340 -0.000 0.000 0.215 621 Q C 2.025 178.131 176.000 0.176 0.000 1.015 621 Q CA 1.764 57.766 55.803 0.332 0.000 0.890 621 Q CB -0.745 28.156 28.738 0.271 0.000 0.966 621 Q HN 0.693 nan 8.270 nan 0.000 0.412 622 G N 0.276 109.142 108.800 0.110 0.000 2.529 622 G HA2 -0.337 3.623 3.960 -0.000 0.000 0.219 622 G HA3 -0.337 3.623 3.960 -0.000 0.000 0.219 622 G C 1.386 176.296 174.900 0.016 0.000 1.177 622 G CA 1.632 46.770 45.100 0.064 0.000 0.773 622 G HN 0.350 nan 8.290 nan 0.000 0.573 623 T N 0.729 115.269 114.554 -0.023 0.000 2.674 623 T HA -0.104 4.246 4.350 -0.000 0.000 0.265 623 T C 2.530 177.169 174.700 -0.102 0.000 1.039 623 T CA 1.369 63.429 62.100 -0.067 0.000 1.150 623 T CB -0.417 68.381 68.868 -0.116 0.000 0.864 623 T HN 0.061 nan 8.240 nan 0.000 0.427 624 V N 2.272 122.095 119.914 -0.151 0.000 2.594 624 V HA -0.145 3.975 4.120 -0.000 0.000 0.253 624 V C 2.238 178.065 176.094 -0.444 0.000 1.069 624 V CA 1.429 63.506 62.300 -0.372 0.000 1.082 624 V CB -0.591 30.860 31.823 -0.620 0.000 0.680 624 V HN 0.456 nan 8.190 nan 0.000 0.469 625 D N 0.654 120.943 120.400 -0.186 0.000 2.263 625 D HA -0.092 4.548 4.640 -0.000 0.000 0.208 625 D C 2.077 178.338 176.300 -0.065 0.000 0.971 625 D CA 1.565 55.532 54.000 -0.055 0.000 0.867 625 D CB 0.053 40.897 40.800 0.072 0.000 0.929 625 D HN 0.544 nan 8.370 nan 0.000 0.492 626 G N 0.629 109.385 108.800 -0.074 0.000 2.490 626 G HA2 -0.091 3.869 3.960 -0.000 0.000 0.211 626 G HA3 -0.091 3.869 3.960 -0.000 0.000 0.211 626 G C 1.662 176.528 174.900 -0.057 0.000 1.159 626 G CA 0.551 45.624 45.100 -0.045 0.000 0.819 626 G HN 0.296 nan 8.290 nan 0.000 0.539 627 V N -1.289 118.574 119.914 -0.084 0.000 3.444 627 V HA 0.257 4.377 4.120 -0.000 0.000 0.271 627 V C 1.419 177.462 176.094 -0.085 0.000 1.188 627 V CA 0.733 62.993 62.300 -0.066 0.000 1.168 627 V CB -0.087 31.707 31.823 -0.048 0.000 0.810 627 V HN 0.098 nan 8.190 nan 0.000 0.500 628 L N 0.936 122.077 121.223 -0.136 0.000 3.141 628 L HA 0.497 4.837 4.340 -0.000 0.000 0.267 628 L C 0.519 177.354 176.870 -0.058 0.000 1.281 628 L CA -0.253 54.509 54.840 -0.130 0.000 1.037 628 L CB -0.953 40.940 42.059 -0.277 0.000 1.407 628 L HN 0.579 nan 8.230 nan 0.000 0.566 629 K N 0.000 120.379 120.400 -0.034 0.000 2.780 629 K HA 0.000 4.320 4.320 -0.000 0.000 0.191 629 K CA 0.000 56.280 56.287 -0.011 0.000 0.838 629 K CB 0.000 32.501 32.500 0.001 0.000 1.064 629 K HN 0.000 nan 8.250 nan 0.000 0.543