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_D 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 NLPVDXXXXX DATA SEQUENCE XVNLDKAFDL 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 0.000 176.839 176.870 -0.051 0.000 1.165 38 L CA 0.000 54.748 54.840 -0.153 0.000 0.813 38 L CB 0.000 42.010 42.059 -0.082 0.000 0.961 39 T N -1.886 112.698 114.554 0.051 0.000 3.278 39 T HA 0.250 4.600 4.350 -0.000 0.000 0.251 39 T C -0.404 174.363 174.700 0.112 0.000 1.039 39 T CA 0.304 62.453 62.100 0.082 0.000 0.935 39 T CB -0.713 68.210 68.868 0.092 0.000 1.034 39 T HN 0.371 nan 8.240 nan 0.000 0.575 40 D N 0.789 121.269 120.400 0.133 0.000 2.602 40 D HA 0.605 5.245 4.640 -0.000 0.000 0.245 40 D C 0.271 176.668 176.300 0.161 0.000 1.325 40 D CA -0.469 53.625 54.000 0.157 0.000 0.952 40 D CB 1.443 42.348 40.800 0.175 0.000 1.317 40 D HN 0.296 nan 8.370 nan 0.000 0.577 41 A N 2.684 125.600 122.820 0.161 0.000 2.311 41 A HA 0.293 4.613 4.320 -0.000 0.000 0.269 41 A C 0.325 178.014 177.584 0.174 0.000 1.514 41 A CA 0.348 52.435 52.037 0.084 0.000 0.827 41 A CB -0.454 18.521 19.000 -0.042 0.000 1.358 41 A HN 0.826 nan 8.150 nan 0.000 0.549 42 Y N -2.386 117.889 120.300 -0.043 0.000 4.879 42 Y HA -0.212 4.338 4.550 -0.001 0.000 0.235 42 Y C 0.900 176.728 175.900 -0.120 0.000 0.988 42 Y CA 1.568 59.627 58.100 -0.069 0.000 1.960 42 Y CB -1.784 36.726 38.460 0.083 0.000 1.534 42 Y HN 0.794 nan 8.280 nan 0.000 0.550 43 T N -1.195 113.362 114.554 0.005 0.000 2.881 43 T HA 0.483 4.832 4.350 -0.000 0.000 0.291 43 T C 0.274 174.975 174.700 0.002 0.000 0.990 43 T CA -0.523 61.587 62.100 0.017 0.000 0.976 43 T CB 0.528 69.476 68.868 0.133 0.000 0.970 43 T HN 0.096 nan 8.240 nan 0.000 0.438 44 Y N 3.053 123.403 120.300 0.084 0.000 2.516 44 Y HA 0.386 4.936 4.550 -0.001 0.000 0.291 44 Y C 1.934 177.878 175.900 0.072 0.000 1.131 44 Y CA 0.085 58.222 58.100 0.061 0.000 1.281 44 Y CB -0.443 38.044 38.460 0.046 0.000 1.013 44 Y HN 0.819 nan 8.280 nan 0.000 0.554 45 A N 2.256 125.220 122.820 0.239 0.000 2.561 45 A HA -0.031 4.288 4.320 -0.000 0.000 0.251 45 A C 0.535 178.239 177.584 0.200 0.000 1.062 45 A CA -0.083 52.072 52.037 0.197 0.000 0.761 45 A CB -0.502 18.602 19.000 0.173 0.000 0.986 45 A HN 0.489 nan 8.150 nan 0.000 0.510 46 N N 3.395 122.167 118.700 0.119 0.000 3.245 46 N HA -0.003 4.736 4.740 -0.000 0.000 0.296 46 N C 0.152 175.675 175.510 0.021 0.000 1.254 46 N CA -0.134 52.939 53.050 0.038 0.000 1.190 46 N CB -0.484 38.035 38.487 0.054 0.000 1.460 46 N HN 0.786 nan 8.380 nan 0.000 0.538 47 Y N -1.655 118.637 120.300 -0.014 0.000 2.680 47 Y HA 0.054 4.604 4.550 -0.001 0.000 0.303 47 Y C 1.431 177.287 175.900 -0.073 0.000 1.166 47 Y CA -0.264 57.811 58.100 -0.042 0.000 1.344 47 Y CB -0.244 38.186 38.460 -0.051 0.000 1.002 47 Y HN 0.149 nan 8.280 nan 0.000 0.537 48 D N 1.184 121.459 120.400 -0.208 0.000 2.117 48 D HA -0.213 4.427 4.640 -0.000 0.000 0.197 48 D C 1.899 178.170 176.300 -0.048 0.000 0.987 48 D CA 2.230 56.120 54.000 -0.185 0.000 0.829 48 D CB 0.029 40.741 40.800 -0.148 0.000 0.961 48 D HN 0.745 nan 8.370 nan 0.000 0.460 49 Q N -1.052 118.806 119.800 0.095 0.000 2.322 49 Q HA 0.229 4.569 4.340 -0.000 0.000 0.250 49 Q C 0.118 176.345 176.000 0.378 0.000 0.853 49 Q CA -0.113 55.867 55.803 0.296 0.000 0.951 49 Q CB 1.257 30.154 28.738 0.266 0.000 1.114 49 Q HN 0.091 nan 8.270 nan 0.000 0.523 50 V N 1.256 121.203 119.914 0.054 0.000 2.604 50 V HA 0.513 4.633 4.120 -0.000 0.000 0.305 50 V C -1.604 174.461 176.094 -0.049 0.000 1.043 50 V CA -0.576 61.489 62.300 -0.392 0.000 0.888 50 V CB 2.015 33.203 31.823 -1.059 0.000 0.995 50 V HN 0.148 nan 8.190 nan 0.000 0.429 51 K N 4.827 125.189 120.400 -0.063 0.000 2.601 51 K HA 0.691 5.011 4.320 -0.000 0.000 0.249 51 K C -0.541 176.014 176.600 -0.073 0.000 0.966 51 K CA -0.431 55.890 56.287 0.058 0.000 0.827 51 K CB 1.957 34.664 32.500 0.347 0.000 1.178 51 K HN 0.864 nan 8.250 nan 0.000 0.437 52 A N 1.513 124.290 122.820 -0.072 0.000 2.477 52 A HA 0.128 4.447 4.320 -0.000 0.000 0.246 52 A C 1.055 178.634 177.584 -0.009 0.000 1.078 52 A CA 0.354 52.361 52.037 -0.050 0.000 0.770 52 A CB 0.078 19.048 19.000 -0.049 0.000 1.011 52 A HN 0.840 nan 8.150 nan 0.000 0.494 53 T N -0.811 113.758 114.554 0.026 0.000 2.985 53 T HA 0.315 4.664 4.350 -0.000 0.000 0.254 53 T C 0.339 175.119 174.700 0.134 0.000 1.021 53 T CA 0.737 62.871 62.100 0.056 0.000 0.957 53 T CB -0.268 68.625 68.868 0.042 0.000 1.047 53 T HN 0.883 nan 8.240 nan 0.000 0.511 54 H N -0.658 118.427 119.070 0.025 0.000 3.008 54 H HA 0.704 5.260 4.556 -0.000 0.000 0.354 54 H C -2.111 173.261 175.328 0.074 0.000 1.252 54 H CA -0.714 55.370 56.048 0.059 0.000 1.117 54 H CB 2.294 32.105 29.762 0.081 0.000 1.857 54 H HN 0.032 nan 8.280 nan 0.000 0.547 55 V N 3.494 123.053 119.914 -0.593 0.000 2.567 55 V HA 0.159 4.278 4.120 -0.000 0.000 0.298 55 V C -1.400 174.500 176.094 -0.323 0.000 1.047 55 V CA -0.730 61.388 62.300 -0.303 0.000 0.880 55 V CB 1.243 32.926 31.823 -0.234 0.000 1.009 55 V HN 0.737 nan 8.190 nan 0.000 0.429 56 Y N 6.151 126.381 120.300 -0.117 0.000 2.341 56 Y HA 0.651 5.201 4.550 -0.000 0.000 0.340 56 Y C -0.829 175.024 175.900 -0.078 0.000 0.997 56 Y CA -0.764 57.324 58.100 -0.020 0.000 1.149 56 Y CB 0.995 39.565 38.460 0.183 0.000 1.171 56 Y HN 0.431 nan 8.280 nan 0.000 0.494 57 L N 6.765 127.549 121.223 -0.733 0.000 2.287 57 L HA 0.251 4.591 4.340 -0.000 0.000 0.287 57 L C -0.327 175.935 176.870 -1.013 0.000 1.022 57 L CA -0.258 54.181 54.840 -0.669 0.000 0.814 57 L CB 1.380 43.244 42.059 -0.325 0.000 1.217 57 L HN 0.740 nan 8.230 nan 0.000 0.420 58 D N 4.427 124.171 120.400 -1.094 0.000 2.518 58 D HA 0.253 4.893 4.640 -0.000 0.000 0.230 58 D C -0.715 175.323 176.300 -0.438 0.000 1.138 58 D CA -0.339 53.161 54.000 -0.833 0.000 0.964 58 D CB 0.797 40.950 40.800 -1.079 0.000 1.011 58 D HN 0.152 nan 8.370 nan 0.000 0.517 59 L N 2.073 123.147 121.223 -0.249 0.000 2.322 59 L HA 0.449 4.788 4.340 -0.000 0.000 0.269 59 L C 0.296 177.136 176.870 -0.050 0.000 1.012 59 L CA -0.831 53.931 54.840 -0.130 0.000 0.815 59 L CB 1.475 43.497 42.059 -0.063 0.000 1.295 59 L HN 0.224 nan 8.230 nan 0.000 0.438 60 N N -0.048 118.634 118.700 -0.030 0.000 2.314 60 N HA 0.417 5.157 4.740 -0.000 0.000 0.294 60 N C -1.191 174.314 175.510 -0.007 0.000 1.029 60 N CA -0.440 52.609 53.050 -0.001 0.000 0.845 60 N CB 1.807 40.296 38.487 0.005 0.000 1.321 60 N HN 0.258 nan 8.380 nan 0.000 0.481 61 V N 3.142 123.047 119.914 -0.015 0.000 2.338 61 V HA 0.166 4.286 4.120 -0.000 0.000 0.255 61 V C -0.029 176.005 176.094 -0.099 0.000 1.082 61 V CA -0.464 61.790 62.300 -0.077 0.000 0.951 61 V CB 0.138 31.852 31.823 -0.181 0.000 1.102 61 V HN 0.662 nan 8.190 nan 0.000 0.489 62 D N 3.886 124.236 120.400 -0.084 0.000 2.396 62 D HA 0.231 4.870 4.640 -0.000 0.000 0.225 62 D C 0.509 176.693 176.300 -0.194 0.000 1.121 62 D CA -0.430 53.513 54.000 -0.095 0.000 0.853 62 D CB 1.092 41.836 40.800 -0.092 0.000 1.043 62 D HN 0.344 nan 8.370 nan 0.000 0.500 63 F N 1.639 121.641 119.950 0.087 0.000 2.661 63 F HA -0.011 4.516 4.527 -0.000 0.000 0.298 63 F C 1.858 177.618 175.800 -0.067 0.000 1.137 63 F CA 0.301 58.354 58.000 0.088 0.000 1.454 63 F CB 0.269 39.379 39.000 0.185 0.000 1.103 63 F HN 0.328 nan 8.300 nan 0.000 0.577 64 D N -0.282 120.156 120.400 0.063 0.000 2.240 64 D HA -0.033 4.607 4.640 -0.000 0.000 0.206 64 D C 1.879 178.115 176.300 -0.107 0.000 0.963 64 D CA 0.872 54.870 54.000 -0.004 0.000 0.863 64 D CB -0.025 40.780 40.800 0.008 0.000 0.973 64 D HN 0.231 nan 8.370 nan 0.000 0.501 65 K N 0.630 120.921 120.400 -0.182 0.000 2.367 65 K HA 0.113 4.432 4.320 -0.000 0.000 0.194 65 K C 0.041 176.368 176.600 -0.455 0.000 1.027 65 K CA -0.101 56.042 56.287 -0.238 0.000 1.075 65 K CB 0.943 33.343 32.500 -0.166 0.000 0.845 65 K HN -0.000 nan 8.250 nan 0.000 0.529 66 K N 2.032 121.980 120.400 -0.754 0.000 3.419 66 K HA -0.152 4.168 4.320 -0.000 0.000 0.272 66 K C -0.567 175.084 176.600 -1.582 0.000 0.973 66 K CA 0.672 55.886 56.287 -1.788 0.000 0.749 66 K CB -1.742 29.914 32.500 -1.408 0.000 1.403 66 K HN 0.436 nan 8.250 nan 0.000 0.456 67 S N -0.409 114.749 115.700 -0.902 0.000 2.541 67 S HA 0.674 5.143 4.470 -0.000 0.000 0.271 67 S C -0.586 174.014 174.600 0.001 0.000 1.133 67 S CA -1.254 56.795 58.200 -0.252 0.000 0.876 67 S CB 1.699 64.804 63.200 -0.158 0.000 1.105 67 S HN 0.217 nan 8.310 nan 0.000 0.470 68 L N 3.228 124.536 121.223 0.142 0.000 2.282 68 L HA 0.704 5.044 4.340 -0.000 0.000 0.288 68 L C -0.144 176.723 176.870 -0.004 0.000 1.033 68 L CA -0.564 54.331 54.840 0.092 0.000 0.807 68 L CB 1.643 43.791 42.059 0.148 0.000 1.209 68 L HN 0.937 nan 8.230 nan 0.000 0.423 69 S N 1.280 116.948 115.700 -0.054 0.000 2.614 69 S HA 0.937 5.407 4.470 -0.000 0.000 0.288 69 S C -0.215 174.329 174.600 -0.094 0.000 1.137 69 S CA -0.069 58.075 58.200 -0.094 0.000 0.992 69 S CB 2.439 65.645 63.200 0.011 0.000 1.026 69 S HN 0.922 nan 8.310 nan 0.000 0.486 70 G N 1.869 110.573 108.800 -0.161 0.000 2.680 70 G HA2 0.508 4.468 3.960 -0.000 0.000 0.092 70 G HA3 0.508 4.468 3.960 -0.000 0.000 0.092 70 G C -1.306 173.614 174.900 0.034 0.000 1.097 70 G CA 0.061 45.136 45.100 -0.042 0.000 1.368 70 G HN 1.658 nan 8.290 nan 0.000 0.619 71 F N -0.710 119.140 119.950 -0.166 0.000 2.703 71 F HA 0.869 5.395 4.527 -0.000 0.000 0.308 71 F C -0.672 175.136 175.800 0.013 0.000 1.126 71 F CA -1.163 56.763 58.000 -0.125 0.000 0.959 71 F CB 1.279 39.983 39.000 -0.494 0.000 1.297 71 F HN 1.095 nan 8.300 nan 0.000 0.441 72 A N 1.768 124.799 122.820 0.351 0.000 2.303 72 A HA 0.650 4.970 4.320 -0.000 0.000 0.320 72 A C -1.001 176.736 177.584 0.254 0.000 1.192 72 A CA -0.522 51.626 52.037 0.185 0.000 0.821 72 A CB 1.095 20.146 19.000 0.084 0.000 1.188 72 A HN 0.875 nan 8.150 nan 0.000 0.492 73 E N 3.678 124.056 120.200 0.297 0.000 2.149 73 E HA 0.408 4.758 4.350 -0.000 0.000 0.255 73 E C -0.970 175.786 176.600 0.260 0.000 0.888 73 E CA -0.568 56.037 56.400 0.341 0.000 0.742 73 E CB 0.495 30.501 29.700 0.509 0.000 1.164 73 E HN 0.584 nan 8.360 nan 0.000 0.422 74 L N 2.529 123.863 121.223 0.186 0.000 2.395 74 L HA 0.343 4.683 4.340 -0.000 0.000 0.269 74 L C 0.140 177.116 176.870 0.176 0.000 1.133 74 L CA -0.113 54.803 54.840 0.127 0.000 0.812 74 L CB 1.195 43.292 42.059 0.063 0.000 1.125 74 L HN 0.502 nan 8.230 nan 0.000 0.452 75 S N 3.919 119.712 115.700 0.155 0.000 2.478 75 S HA 0.732 5.201 4.470 -0.000 0.000 0.312 75 S C -0.171 174.470 174.600 0.068 0.000 1.094 75 S CA -0.621 57.665 58.200 0.142 0.000 1.081 75 S CB 1.789 65.095 63.200 0.177 0.000 1.007 75 S HN 0.350 nan 8.310 nan 0.000 0.475 76 L N 1.985 123.234 121.223 0.043 0.000 2.322 76 L HA 0.685 5.025 4.340 -0.000 0.000 0.269 76 L C -0.863 175.943 176.870 -0.107 0.000 1.012 76 L CA -0.998 53.791 54.840 -0.085 0.000 0.815 76 L CB 1.368 43.330 42.059 -0.162 0.000 1.295 76 L HN 0.408 nan 8.230 nan 0.000 0.438 77 D N 0.366 120.581 120.400 -0.307 0.000 2.549 77 D HA 0.426 5.066 4.640 -0.000 0.000 0.251 77 D C -1.410 174.405 176.300 -0.810 0.000 1.153 77 D CA -0.050 53.718 54.000 -0.387 0.000 0.861 77 D CB 1.176 41.776 40.800 -0.334 0.000 1.207 77 D HN 0.182 nan 8.370 nan 0.000 0.543 78 W N 2.751 123.712 121.300 -0.564 0.000 2.512 78 W HA 0.402 5.062 4.660 -0.000 0.000 0.335 78 W C 0.449 176.537 176.519 -0.718 0.000 1.088 78 W CA -0.743 56.287 57.345 -0.524 0.000 1.236 78 W CB 0.614 29.954 29.460 -0.201 0.000 1.307 78 W HN 0.438 nan 8.180 nan 0.000 0.567 79 F N -0.548 119.540 119.950 0.230 0.000 2.637 79 F HA 0.094 4.620 4.527 -0.001 0.000 0.284 79 F C 1.413 177.295 175.800 0.137 0.000 1.105 79 F CA -0.221 57.860 58.000 0.134 0.000 1.356 79 F CB -0.536 38.506 39.000 0.070 0.000 1.096 79 F HN 0.042 nan 8.300 nan 0.000 0.616 80 T N -1.045 113.713 114.554 0.341 0.000 2.817 80 T HA 0.141 4.491 4.350 -0.000 0.000 0.293 80 T C 0.595 175.380 174.700 0.142 0.000 0.964 80 T CA -0.563 61.670 62.100 0.222 0.000 1.085 80 T CB 1.228 70.228 68.868 0.220 0.000 0.921 80 T HN 0.102 nan 8.240 nan 0.000 0.502 81 D N 1.928 122.377 120.400 0.082 0.000 2.263 81 D HA -0.072 4.567 4.640 -0.000 0.000 0.208 81 D C 0.826 177.120 176.300 -0.010 0.000 0.971 81 D CA 0.818 54.833 54.000 0.025 0.000 0.867 81 D CB 0.174 40.986 40.800 0.020 0.000 0.929 81 D HN 0.717 nan 8.370 nan 0.000 0.492 82 N N 1.246 119.953 118.700 0.011 0.000 2.492 82 N HA 0.111 4.851 4.740 -0.000 0.000 0.289 82 N C -0.047 175.443 175.510 -0.033 0.000 1.133 82 N CA -0.436 52.607 53.050 -0.012 0.000 0.961 82 N CB 1.729 40.221 38.487 0.010 0.000 1.186 82 N HN -0.198 nan 8.380 nan 0.000 0.493 83 K N 0.144 120.505 120.400 -0.065 0.000 2.527 83 K HA 0.221 4.541 4.320 -0.000 0.000 0.278 83 K C -0.424 176.163 176.600 -0.022 0.000 0.981 83 K CA 0.274 56.500 56.287 -0.101 0.000 1.009 83 K CB 0.384 32.837 32.500 -0.078 0.000 0.895 83 K HN 0.771 nan 8.250 nan 0.000 0.493 84 A N 4.299 127.113 122.820 -0.009 0.000 2.594 84 A HA 0.571 4.891 4.320 -0.000 0.000 0.295 84 A C -2.746 174.972 177.584 0.223 0.000 1.071 84 A CA -1.384 50.750 52.037 0.161 0.000 0.685 84 A CB 1.445 20.649 19.000 0.341 0.000 1.285 84 A HN 0.405 nan 8.150 nan 0.000 0.405 85 P HA 0.406 nan 4.420 nan 0.000 0.276 85 P C -0.812 176.707 177.300 0.365 0.000 1.261 85 P CA -0.560 62.687 63.100 0.246 0.000 0.800 85 P CB 0.622 32.412 31.700 0.151 0.000 1.066 86 L N 2.445 123.855 121.223 0.311 0.000 2.262 86 L HA 0.446 4.786 4.340 -0.000 0.000 0.288 86 L C -0.806 176.142 176.870 0.130 0.000 1.035 86 L CA -0.537 54.430 54.840 0.212 0.000 0.820 86 L CB -0.142 42.047 42.059 0.217 0.000 1.204 86 L HN 0.294 nan 8.230 nan 0.000 0.424 87 I N 5.946 126.574 120.570 0.096 0.000 2.359 87 I HA 0.404 4.574 4.170 -0.000 0.000 0.294 87 I C -0.356 175.805 176.117 0.074 0.000 0.987 87 I CA -0.537 60.815 61.300 0.086 0.000 1.225 87 I CB 1.728 39.788 38.000 0.101 0.000 1.366 87 I HN 0.486 nan 8.210 nan 0.000 0.466 88 L N 4.595 125.855 121.223 0.062 0.000 2.350 88 L HA 0.552 4.892 4.340 -0.000 0.000 0.260 88 L C -0.771 176.149 176.870 0.084 0.000 1.015 88 L CA -0.984 53.882 54.840 0.042 0.000 0.821 88 L CB 2.282 44.330 42.059 -0.019 0.000 1.370 88 L HN 0.472 nan 8.230 nan 0.000 0.416 89 D N 0.249 120.692 120.400 0.072 0.000 2.229 89 D HA 0.560 5.200 4.640 -0.000 0.000 0.249 89 D C -0.529 175.794 176.300 0.038 0.000 1.027 89 D CA 0.148 54.222 54.000 0.123 0.000 0.923 89 D CB 2.418 43.265 40.800 0.077 0.000 1.174 89 D HN 0.398 nan 8.370 nan 0.000 0.443 90 T N 0.098 114.698 114.554 0.077 0.000 2.769 90 T HA 0.352 4.702 4.350 -0.000 0.000 0.306 90 T C 0.159 174.905 174.700 0.078 0.000 1.400 90 T CA -0.497 61.618 62.100 0.025 0.000 1.007 90 T CB 2.674 71.535 68.868 -0.012 0.000 1.392 90 T HN 0.416 nan 8.240 nan 0.000 0.500 91 R N -0.078 120.466 120.500 0.073 0.000 3.069 91 R HA 0.363 4.703 4.340 -0.000 0.000 0.141 91 R C -0.728 175.630 176.300 0.097 0.000 1.845 91 R CA -0.107 56.056 56.100 0.106 0.000 1.419 91 R CB 0.516 30.897 30.300 0.135 0.000 1.346 91 R HN 0.475 nan 8.270 nan 0.000 0.467 92 D N 1.666 122.128 120.400 0.104 0.000 2.943 92 D HA 0.235 4.875 4.640 -0.000 0.000 0.347 92 D C -1.217 175.139 176.300 0.092 0.000 1.305 92 D CA -0.136 53.917 54.000 0.089 0.000 0.870 92 D CB 1.101 41.958 40.800 0.095 0.000 1.081 92 D HN -0.007 nan 8.370 nan 0.000 0.492 93 L N 0.753 122.021 121.223 0.074 0.000 2.307 93 L HA 0.333 4.672 4.340 -0.000 0.000 0.282 93 L C -0.012 176.879 176.870 0.035 0.000 1.051 93 L CA -0.786 54.098 54.840 0.073 0.000 0.804 93 L CB 1.956 44.021 42.059 0.010 0.000 1.197 93 L HN -0.122 nan 8.230 nan 0.000 0.431 94 V N 4.712 124.640 119.914 0.023 0.000 2.394 94 V HA 0.420 4.539 4.120 -0.000 0.000 0.282 94 V C 0.118 176.081 176.094 -0.217 0.000 1.031 94 V CA -0.690 61.577 62.300 -0.054 0.000 0.881 94 V CB 1.360 33.171 31.823 -0.020 0.000 0.982 94 V HN 0.382 nan 8.190 nan 0.000 0.451 95 I N 4.856 125.330 120.570 -0.159 0.000 2.385 95 I HA 0.419 4.589 4.170 -0.000 0.000 0.294 95 I C 0.776 176.833 176.117 -0.100 0.000 0.988 95 I CA -0.158 61.030 61.300 -0.188 0.000 1.265 95 I CB 1.243 39.083 38.000 -0.266 0.000 1.388 95 I HN 0.655 nan 8.210 nan 0.000 0.480 96 H N 5.622 124.808 119.070 0.192 0.000 2.348 96 H HA 0.266 4.822 4.556 -0.001 0.000 0.306 96 H C 0.588 176.037 175.328 0.202 0.000 1.034 96 H CA 0.451 56.607 56.048 0.180 0.000 1.395 96 H CB 0.632 30.485 29.762 0.152 0.000 1.495 96 H HN 0.562 nan 8.280 nan 0.000 0.616 97 R N -0.072 120.641 120.500 0.356 0.000 2.846 97 R HA 0.667 5.006 4.340 -0.000 0.000 0.263 97 R C -1.568 174.944 176.300 0.353 0.000 1.080 97 R CA -0.848 55.458 56.100 0.344 0.000 0.961 97 R CB 1.762 32.195 30.300 0.222 0.000 1.231 97 R HN -0.124 nan 8.270 nan 0.000 0.465 98 V N 1.613 121.726 119.914 0.333 0.000 2.577 98 V HA 0.482 4.602 4.120 -0.000 0.000 0.303 98 V C -0.451 175.818 176.094 0.290 0.000 1.042 98 V CA -0.807 61.661 62.300 0.281 0.000 0.872 98 V CB 1.743 33.707 31.823 0.234 0.000 0.998 98 V HN 0.632 nan 8.190 nan 0.000 0.423 99 M N 3.341 123.132 119.600 0.319 0.000 2.664 99 M HA 0.884 5.364 4.480 -0.000 0.000 0.314 99 M C -0.235 176.333 176.300 0.447 0.000 1.200 99 M CA -0.481 55.052 55.300 0.388 0.000 0.916 99 M CB 2.151 35.039 32.600 0.480 0.000 1.717 99 M HN 0.755 nan 8.290 nan 0.000 0.470 100 A N 1.476 124.499 122.820 0.338 0.000 2.498 100 A HA 0.647 4.966 4.320 -0.000 0.000 0.298 100 A C -0.983 176.494 177.584 -0.178 0.000 1.075 100 A CA -0.839 51.272 52.037 0.123 0.000 0.714 100 A CB 1.544 20.597 19.000 0.089 0.000 1.299 100 A HN 0.787 nan 8.150 nan 0.000 0.407 101 K N 2.153 122.210 120.400 -0.572 0.000 2.292 101 K HA 0.146 4.466 4.320 -0.000 0.000 0.290 101 K C 0.216 176.623 176.600 -0.321 0.000 1.083 101 K CA -0.316 55.565 56.287 -0.677 0.000 0.918 101 K CB 0.308 32.272 32.500 -0.893 0.000 1.089 101 K HN 0.820 nan 8.250 nan 0.000 0.473 102 N N 0.386 118.950 118.700 -0.226 0.000 2.255 102 N HA -0.109 4.630 4.740 -0.000 0.000 0.253 102 N C 0.678 176.100 175.510 -0.146 0.000 1.313 102 N CA -0.029 52.929 53.050 -0.154 0.000 0.912 102 N CB 0.213 38.637 38.487 -0.106 0.000 1.145 102 N HN 0.313 nan 8.380 nan 0.000 0.511 103 S N -2.680 112.949 115.700 -0.118 0.000 2.571 103 S HA -0.138 4.331 4.470 -0.000 0.000 0.245 103 S C 0.346 174.894 174.600 -0.087 0.000 0.976 103 S CA 0.674 58.813 58.200 -0.102 0.000 0.954 103 S CB -0.781 62.365 63.200 -0.090 0.000 0.756 103 S HN 0.703 nan 8.310 nan 0.000 0.535 104 Q N -0.121 119.623 119.800 -0.093 0.000 2.055 104 Q HA 0.373 4.712 4.340 -0.000 0.000 0.226 104 Q C 0.657 176.603 176.000 -0.090 0.000 0.805 104 Q CA -0.072 55.685 55.803 -0.075 0.000 1.072 104 Q CB 0.858 29.563 28.738 -0.055 0.000 1.219 104 Q HN 0.533 nan 8.270 nan 0.000 0.451 105 G N 1.933 110.650 108.800 -0.138 0.000 2.305 105 G HA2 -0.316 3.644 3.960 -0.000 0.000 0.287 105 G HA3 -0.316 3.644 3.960 -0.000 0.000 0.287 105 G C -0.255 174.528 174.900 -0.194 0.000 1.036 105 G CA 0.366 45.352 45.100 -0.190 0.000 0.887 105 G HN 0.363 nan 8.290 nan 0.000 0.505 106 Q N -1.230 118.468 119.800 -0.170 0.000 2.325 106 Q HA 0.430 4.769 4.340 -0.000 0.000 0.262 106 Q C -0.477 175.473 176.000 -0.082 0.000 0.968 106 Q CA -0.930 54.828 55.803 -0.076 0.000 0.877 106 Q CB 1.194 29.919 28.738 -0.020 0.000 1.253 106 Q HN 0.415 nan 8.270 nan 0.000 0.448 107 W N 3.891 125.201 121.300 0.017 0.000 2.666 107 W HA 0.230 4.890 4.660 -0.000 0.000 0.365 107 W C 0.356 176.892 176.519 0.029 0.000 1.224 107 W CA -0.414 56.948 57.345 0.027 0.000 1.515 107 W CB 0.071 29.548 29.460 0.028 0.000 1.562 107 W HN 0.355 nan 8.180 nan 0.000 0.455 108 V N 1.221 121.257 119.914 0.204 0.000 2.881 108 V HA 0.539 4.659 4.120 -0.000 0.000 0.316 108 V C -0.115 176.074 176.094 0.160 0.000 1.070 108 V CA -1.831 60.550 62.300 0.136 0.000 0.976 108 V CB 1.846 33.708 31.823 0.063 0.000 1.038 108 V HN 0.339 nan 8.190 nan 0.000 0.446 109 K N 2.253 122.727 120.400 0.124 0.000 2.258 109 K HA 0.632 4.952 4.320 -0.000 0.000 0.284 109 K C -0.494 176.176 176.600 0.116 0.000 1.051 109 K CA -0.428 55.938 56.287 0.132 0.000 0.923 109 K CB 1.473 34.034 32.500 0.101 0.000 1.046 109 K HN 1.028 nan 8.250 nan 0.000 0.474 110 V N 1.032 121.035 119.914 0.148 0.000 3.096 110 V HA 0.571 4.691 4.120 -0.000 0.000 0.319 110 V C -0.865 175.318 176.094 0.148 0.000 1.103 110 V CA -1.075 61.303 62.300 0.130 0.000 1.016 110 V CB 1.611 33.517 31.823 0.139 0.000 1.090 110 V HN 0.965 nan 8.190 nan 0.000 0.449 111 N N 0.764 119.529 118.700 0.108 0.000 2.404 111 N HA 0.669 5.408 4.740 -0.000 0.000 0.297 111 N C -0.929 174.660 175.510 0.131 0.000 1.163 111 N CA -0.682 52.404 53.050 0.061 0.000 0.864 111 N CB 1.462 39.930 38.487 -0.032 0.000 1.247 111 N HN 1.017 nan 8.380 nan 0.000 0.510 112 Y N -2.860 117.469 120.300 0.048 0.000 2.605 112 Y HA 0.699 5.248 4.550 -0.001 0.000 0.343 112 Y C -1.460 174.456 175.900 0.027 0.000 1.036 112 Y CA -1.364 56.761 58.100 0.042 0.000 1.065 112 Y CB 1.507 39.997 38.460 0.049 0.000 1.288 112 Y HN 0.489 nan 8.280 nan 0.000 0.481 113 D N 1.414 121.945 120.400 0.218 0.000 2.505 113 D HA 0.366 5.006 4.640 -0.000 0.000 0.249 113 D C -1.965 174.458 176.300 0.205 0.000 1.082 113 D CA -0.390 53.687 54.000 0.129 0.000 0.839 113 D CB 2.025 42.855 40.800 0.051 0.000 1.317 113 D HN 0.675 nan 8.370 nan 0.000 0.497 114 L N 3.739 125.073 121.223 0.186 0.000 2.277 114 L HA 0.706 5.045 4.340 -0.000 0.000 0.284 114 L C 0.027 176.920 176.870 0.039 0.000 1.028 114 L CA -0.415 54.498 54.840 0.121 0.000 0.835 114 L CB 0.584 42.744 42.059 0.168 0.000 1.215 114 L HN 0.550 nan 8.230 nan 0.000 0.425 115 A N 4.265 127.067 122.820 -0.030 0.000 2.366 115 A HA 0.256 4.576 4.320 -0.000 0.000 0.250 115 A C 0.254 177.820 177.584 -0.030 0.000 1.099 115 A CA -0.322 51.676 52.037 -0.064 0.000 0.794 115 A CB 0.140 19.036 19.000 -0.174 0.000 1.056 115 A HN 0.619 nan 8.150 nan 0.000 0.499 116 K N 0.587 120.976 120.400 -0.018 0.000 2.436 116 K HA -0.010 4.309 4.320 -0.000 0.000 0.275 116 K C 0.317 176.935 176.600 0.031 0.000 0.999 116 K CA 0.197 56.492 56.287 0.013 0.000 0.980 116 K CB 0.201 32.710 32.500 0.015 0.000 0.919 116 K HN 0.724 nan 8.250 nan 0.000 0.484 117 R N 2.904 123.436 120.500 0.053 0.000 2.442 117 R HA -0.027 4.313 4.340 -0.000 0.000 0.291 117 R C -0.334 176.026 176.300 0.100 0.000 1.069 117 R CA -0.111 56.039 56.100 0.084 0.000 1.022 117 R CB 0.409 30.756 30.300 0.078 0.000 0.976 117 R HN 0.650 nan 8.270 nan 0.000 0.443 118 D N 1.459 121.947 120.400 0.147 0.000 2.383 118 D HA 0.026 4.665 4.640 -0.000 0.000 0.248 118 D C 0.143 176.503 176.300 0.101 0.000 1.170 118 D CA -0.353 53.727 54.000 0.134 0.000 0.977 118 D CB 1.146 42.057 40.800 0.184 0.000 1.120 118 D HN 0.445 nan 8.370 nan 0.000 0.481 119 D N 0.368 120.815 120.400 0.078 0.000 2.289 119 D HA -0.044 4.596 4.640 -0.000 0.000 0.207 119 D C 1.305 177.655 176.300 0.083 0.000 0.966 119 D CA 0.405 54.450 54.000 0.074 0.000 0.868 119 D CB 0.485 41.321 40.800 0.061 0.000 0.943 119 D HN 0.161 nan 8.370 nan 0.000 0.514 120 V N -0.543 119.416 119.914 0.074 0.000 3.151 120 V HA 0.124 4.244 4.120 -0.000 0.000 0.241 120 V C 1.511 177.654 176.094 0.080 0.000 1.173 120 V CA 0.217 62.571 62.300 0.089 0.000 1.154 120 V CB 0.205 32.089 31.823 0.101 0.000 0.898 120 V HN 0.044 nan 8.190 nan 0.000 0.473 121 L N 1.072 122.314 121.223 0.031 0.000 2.509 121 L HA 0.487 4.826 4.340 -0.000 0.000 0.222 121 L C 1.455 178.386 176.870 0.102 0.000 1.123 121 L CA 0.807 55.629 54.840 -0.031 0.000 0.856 121 L CB -0.907 40.948 42.059 -0.340 0.000 0.985 121 L HN 0.583 nan 8.230 nan 0.000 0.456 122 G N 0.449 109.345 108.800 0.160 0.000 2.553 122 G HA2 -0.253 3.707 3.960 -0.000 0.000 0.242 122 G HA3 -0.253 3.707 3.960 -0.000 0.000 0.242 122 G C -0.274 174.788 174.900 0.270 0.000 1.277 122 G CA -0.234 44.982 45.100 0.193 0.000 0.910 122 G HN 0.228 nan 8.290 nan 0.000 0.576 123 S N 0.407 116.225 115.700 0.195 0.000 2.429 123 S HA 0.510 4.979 4.470 -0.000 0.000 0.302 123 S C 0.219 174.837 174.600 0.031 0.000 1.115 123 S CA -0.331 57.928 58.200 0.098 0.000 1.095 123 S CB 1.697 64.931 63.200 0.057 0.000 0.987 123 S HN 0.747 nan 8.310 nan 0.000 0.474 124 K N 2.884 123.108 120.400 -0.294 0.000 2.349 124 K HA 0.203 4.523 4.320 -0.000 0.000 0.288 124 K C -0.757 175.742 176.600 -0.168 0.000 1.058 124 K CA -0.557 55.451 56.287 -0.464 0.000 0.953 124 K CB 0.227 32.063 32.500 -1.108 0.000 0.997 124 K HN 0.477 nan 8.250 nan 0.000 0.477 125 L N 5.056 126.249 121.223 -0.051 0.000 2.259 125 L HA 0.275 4.615 4.340 -0.000 0.000 0.288 125 L C -1.054 175.830 176.870 0.022 0.000 1.051 125 L CA 0.318 55.151 54.840 -0.012 0.000 0.824 125 L CB 1.160 43.189 42.059 -0.050 0.000 1.206 125 L HN 0.586 nan 8.230 nan 0.000 0.429 126 T N 6.603 121.190 114.554 0.055 0.000 2.753 126 T HA 0.553 4.903 4.350 -0.000 0.000 0.297 126 T C 0.031 174.814 174.700 0.138 0.000 0.981 126 T CA -0.040 62.108 62.100 0.080 0.000 0.956 126 T CB 0.294 69.196 68.868 0.057 0.000 0.936 126 T HN 0.393 nan 8.240 nan 0.000 0.463 127 I N 3.515 124.173 120.570 0.146 0.000 2.493 127 I HA 0.355 4.525 4.170 -0.000 0.000 0.298 127 I C 0.166 176.379 176.117 0.159 0.000 0.998 127 I CA -0.889 60.520 61.300 0.182 0.000 1.137 127 I CB 1.669 39.767 38.000 0.163 0.000 1.310 127 I HN 0.440 nan 8.210 nan 0.000 0.445 128 N N 4.004 122.789 118.700 0.142 0.000 2.500 128 N HA 0.246 4.985 4.740 -0.000 0.000 0.236 128 N C -0.974 174.586 175.510 0.083 0.000 1.022 128 N CA 0.001 53.110 53.050 0.098 0.000 0.935 128 N CB 0.799 39.327 38.487 0.068 0.000 1.147 128 N HN 0.516 nan 8.380 nan 0.000 0.512 129 T N 3.516 118.114 114.554 0.073 0.000 2.888 129 T HA 0.499 4.849 4.350 -0.000 0.000 0.284 129 T C -2.509 172.155 174.700 -0.060 0.000 1.017 129 T CA -1.511 60.622 62.100 0.055 0.000 1.022 129 T CB 1.136 70.103 68.868 0.165 0.000 1.013 129 T HN 0.370 nan 8.240 nan 0.000 0.465 130 P HA -0.023 nan 4.420 nan 0.000 0.264 130 P C -0.189 176.946 177.300 -0.275 0.000 1.179 130 P CA -0.429 62.584 63.100 -0.144 0.000 0.763 130 P CB 0.286 31.909 31.700 -0.127 0.000 0.806 131 L N 4.753 125.815 121.223 -0.268 0.000 2.667 131 L HA -0.129 4.211 4.340 -0.000 0.000 0.278 131 L C 0.485 177.059 176.870 -0.494 0.000 1.217 131 L CA 1.279 55.894 54.840 -0.375 0.000 0.935 131 L CB -1.766 40.146 42.059 -0.244 0.000 1.193 131 L HN 0.701 nan 8.230 nan 0.000 0.493 132 N N 1.827 119.983 118.700 -0.907 0.000 2.741 132 N HA -0.200 4.540 4.740 -0.000 0.000 0.250 132 N C 0.438 175.616 175.510 -0.554 0.000 1.115 132 N CA 0.412 52.860 53.050 -1.003 0.000 0.724 132 N CB -0.784 37.433 38.487 -0.450 0.000 1.090 132 N HN 0.844 nan 8.380 nan 0.000 0.558 133 A N 0.929 123.508 122.820 -0.401 0.000 2.572 133 A HA -0.104 4.216 4.320 -0.000 0.000 0.256 133 A C 1.236 178.918 177.584 0.163 0.000 1.041 133 A CA 0.669 52.666 52.037 -0.066 0.000 0.790 133 A CB 0.225 19.244 19.000 0.032 0.000 0.947 133 A HN 0.316 nan 8.150 nan 0.000 0.518 134 K N 1.087 121.509 120.400 0.037 0.000 2.486 134 K HA 0.031 4.351 4.320 -0.000 0.000 0.194 134 K C 0.248 176.883 176.600 0.059 0.000 1.033 134 K CA 0.930 57.258 56.287 0.069 0.000 1.004 134 K CB 0.057 32.544 32.500 -0.022 0.000 0.798 134 K HN 0.701 nan 8.250 nan 0.000 0.495 135 K N -0.149 120.260 120.400 0.015 0.000 2.607 135 K HA 0.388 4.707 4.320 -0.000 0.000 0.287 135 K C -1.697 174.984 176.600 0.134 0.000 0.996 135 K CA -0.690 55.645 56.287 0.080 0.000 0.876 135 K CB 2.809 35.339 32.500 0.050 0.000 1.496 135 K HN -0.285 nan 8.250 nan 0.000 0.415 136 V N 1.358 121.458 119.914 0.309 0.000 2.851 136 V HA 0.448 4.567 4.120 -0.000 0.000 0.307 136 V C -1.273 175.047 176.094 0.377 0.000 1.129 136 V CA -0.829 61.678 62.300 0.344 0.000 0.932 136 V CB 2.151 34.108 31.823 0.224 0.000 1.024 136 V HN 0.727 nan 8.190 nan 0.000 0.426 137 R N 3.294 124.007 120.500 0.355 0.000 2.439 137 R HA 0.812 5.152 4.340 -0.000 0.000 0.310 137 R C -1.901 174.424 176.300 0.041 0.000 0.955 137 R CA -0.347 55.803 56.100 0.084 0.000 0.853 137 R CB 1.916 32.040 30.300 -0.292 0.000 1.171 137 R HN 0.506 nan 8.270 nan 0.000 0.449 138 V N 5.520 125.452 119.914 0.030 0.000 2.417 138 V HA 0.369 4.489 4.120 -0.000 0.000 0.291 138 V C -1.008 175.172 176.094 0.143 0.000 1.024 138 V CA -0.691 61.654 62.300 0.074 0.000 0.861 138 V CB 1.279 33.101 31.823 -0.002 0.000 0.985 138 V HN 0.671 nan 8.190 nan 0.000 0.436 139 Y N 6.030 126.479 120.300 0.249 0.000 2.335 139 Y HA 0.668 5.218 4.550 -0.001 0.000 0.339 139 Y C -0.062 176.018 175.900 0.300 0.000 0.987 139 Y CA -0.410 57.885 58.100 0.324 0.000 1.140 139 Y CB 1.202 39.819 38.460 0.261 0.000 1.173 139 Y HN 0.746 nan 8.280 nan 0.000 0.486 140 Y N 0.738 121.172 120.300 0.223 0.000 2.705 140 Y HA 0.586 5.136 4.550 -0.001 0.000 0.332 140 Y C -1.627 174.314 175.900 0.069 0.000 1.221 140 Y CA -1.966 56.084 58.100 -0.083 0.000 1.059 140 Y CB 1.309 39.726 38.460 -0.072 0.000 1.298 140 Y HN 0.537 nan 8.280 nan 0.000 0.459 141 N N 0.665 119.383 118.700 0.031 0.000 2.229 141 N HA 0.419 5.159 4.740 -0.000 0.000 0.298 141 N C -1.301 174.317 175.510 0.181 0.000 1.114 141 N CA -0.439 52.649 53.050 0.064 0.000 0.776 141 N CB 2.340 40.925 38.487 0.163 0.000 1.501 141 N HN 0.950 nan 8.380 nan 0.000 0.474 142 S N 0.642 116.457 115.700 0.191 0.000 2.592 142 S HA 0.381 4.851 4.470 -0.000 0.000 0.271 142 S C 0.290 174.959 174.600 0.114 0.000 1.326 142 S CA -0.138 58.198 58.200 0.227 0.000 1.024 142 S CB 0.287 63.674 63.200 0.313 0.000 0.921 142 S HN 0.742 nan 8.310 nan 0.000 0.527 143 T N 0.268 114.883 114.554 0.102 0.000 2.950 143 T HA 0.478 4.828 4.350 -0.000 0.000 0.288 143 T C 1.024 175.717 174.700 -0.013 0.000 1.035 143 T CA -0.704 61.406 62.100 0.018 0.000 1.028 143 T CB 1.262 70.150 68.868 0.033 0.000 1.109 143 T HN 0.704 nan 8.240 nan 0.000 0.514 144 E N 1.524 121.651 120.200 -0.123 0.000 2.204 144 E HA -0.193 4.157 4.350 -0.000 0.000 0.194 144 E C 1.457 178.050 176.600 -0.013 0.000 0.989 144 E CA 1.090 57.378 56.400 -0.187 0.000 0.824 144 E CB -0.565 28.990 29.700 -0.242 0.000 0.756 144 E HN 0.948 nan 8.360 nan 0.000 0.477 145 K N 1.162 121.568 120.400 0.010 0.000 2.555 145 K HA 0.288 4.607 4.320 -0.000 0.000 0.193 145 K C 0.638 177.284 176.600 0.078 0.000 1.032 145 K CA 0.470 56.781 56.287 0.041 0.000 1.004 145 K CB -0.146 32.377 32.500 0.037 0.000 0.804 145 K HN 0.047 nan 8.250 nan 0.000 0.496 146 A N 2.430 125.319 122.820 0.114 0.000 2.545 146 A HA 0.023 4.343 4.320 -0.000 0.000 0.253 146 A C 1.339 178.989 177.584 0.110 0.000 1.074 146 A CA 0.283 52.414 52.037 0.156 0.000 0.760 146 A CB 0.103 19.236 19.000 0.220 0.000 1.005 146 A HN 0.476 nan 8.150 nan 0.000 0.506 147 T N 0.131 114.755 114.554 0.117 0.000 3.085 147 T HA 0.084 4.434 4.350 -0.000 0.000 0.263 147 T C 1.164 175.774 174.700 -0.150 0.000 1.127 147 T CA 1.099 63.201 62.100 0.004 0.000 1.103 147 T CB 0.044 68.960 68.868 0.080 0.000 0.921 147 T HN 0.875 nan 8.240 nan 0.000 0.510 148 G N 0.884 109.721 108.800 0.062 0.000 3.502 148 G HA2 0.551 4.511 3.960 -0.000 0.000 0.267 148 G HA3 0.551 4.511 3.960 -0.000 0.000 0.267 148 G C -0.122 174.727 174.900 -0.085 0.000 1.090 148 G CA -0.503 44.651 45.100 0.090 0.000 0.795 148 G HN 0.507 nan 8.290 nan 0.000 0.535 149 L N 0.069 121.177 121.223 -0.191 0.000 2.431 149 L HA 0.488 4.828 4.340 -0.000 0.000 0.266 149 L C -0.943 175.618 176.870 -0.516 0.000 0.978 149 L CA -1.063 53.509 54.840 -0.446 0.000 0.822 149 L CB 2.636 44.385 42.059 -0.516 0.000 1.310 149 L HN -0.052 nan 8.230 nan 0.000 0.409 150 Q N 1.859 121.155 119.800 -0.839 0.000 2.348 150 Q HA 0.357 4.697 4.340 -0.000 0.000 0.265 150 Q C -1.912 173.701 176.000 -0.644 0.000 0.998 150 Q CA -0.148 55.175 55.803 -0.799 0.000 0.831 150 Q CB 1.064 29.099 28.738 -1.171 0.000 1.251 150 Q HN 0.412 nan 8.270 nan 0.000 0.456 151 W N 5.916 127.104 121.300 -0.187 0.000 2.317 151 W HA 0.441 5.101 4.660 -0.001 0.000 0.327 151 W C -0.907 175.641 176.519 0.050 0.000 1.036 151 W CA -0.438 56.907 57.345 0.001 0.000 1.419 151 W CB 0.599 30.066 29.460 0.012 0.000 1.253 151 W HN 0.470 nan 8.180 nan 0.000 0.392 152 L N 4.136 125.503 121.223 0.240 0.000 2.275 152 L HA 0.367 4.707 4.340 -0.000 0.000 0.288 152 L C 1.003 177.967 176.870 0.155 0.000 1.046 152 L CA -0.752 54.202 54.840 0.189 0.000 0.805 152 L CB 0.946 43.123 42.059 0.197 0.000 1.193 152 L HN 0.377 nan 8.230 nan 0.000 0.426 153 S N 2.010 117.774 115.700 0.107 0.000 2.579 153 S HA 0.202 4.672 4.470 -0.000 0.000 0.275 153 S C 1.324 175.935 174.600 0.019 0.000 1.345 153 S CA -0.124 58.108 58.200 0.054 0.000 1.031 153 S CB 1.450 64.674 63.200 0.040 0.000 0.892 153 S HN 0.724 nan 8.310 nan 0.000 0.529 154 A N 1.489 124.296 122.820 -0.022 0.000 2.032 154 A HA -0.182 4.138 4.320 -0.000 0.000 0.221 154 A C 2.206 179.785 177.584 -0.007 0.000 1.165 154 A CA 1.753 53.774 52.037 -0.026 0.000 0.645 154 A CB -1.085 17.890 19.000 -0.042 0.000 0.807 154 A HN 1.044 nan 8.150 nan 0.000 0.453 155 E N -0.215 119.982 120.200 -0.005 0.000 2.152 155 E HA -0.196 4.154 4.350 -0.000 0.000 0.192 155 E C 1.275 177.870 176.600 -0.008 0.000 0.983 155 E CA 1.028 57.422 56.400 -0.009 0.000 0.818 155 E CB -0.392 29.303 29.700 -0.008 0.000 0.758 155 E HN 0.773 nan 8.360 nan 0.000 0.467 156 Q N 1.721 121.526 119.800 0.009 0.000 2.291 156 Q HA 0.066 4.406 4.340 -0.000 0.000 0.211 156 Q C 0.120 176.122 176.000 0.002 0.000 0.925 156 Q CA 0.658 56.469 55.803 0.013 0.000 0.949 156 Q CB 0.356 29.119 28.738 0.041 0.000 1.015 156 Q HN 0.339 nan 8.270 nan 0.000 0.477 157 T N -5.235 109.313 114.554 -0.010 0.000 2.926 157 T HA 0.646 4.996 4.350 -0.000 0.000 0.289 157 T C 0.909 175.560 174.700 -0.081 0.000 1.054 157 T CA -0.356 61.730 62.100 -0.025 0.000 1.015 157 T CB 1.753 70.652 68.868 0.051 0.000 1.167 157 T HN -0.020 nan 8.240 nan 0.000 0.526 158 A N 0.809 123.551 122.820 -0.130 0.000 1.897 158 A HA 0.269 4.589 4.320 -0.000 0.000 0.215 158 A C 2.351 179.861 177.584 -0.123 0.000 1.181 158 A CA 1.601 53.473 52.037 -0.276 0.000 0.620 158 A CB -1.564 17.112 19.000 -0.540 0.000 0.821 158 A HN 1.149 nan 8.150 nan 0.000 0.443 159 G N -1.557 107.236 108.800 -0.012 0.000 2.443 159 G HA2 -0.052 3.908 3.960 -0.000 0.000 0.219 159 G HA3 -0.052 3.908 3.960 -0.000 0.000 0.219 159 G C 1.032 175.929 174.900 -0.005 0.000 1.131 159 G CA 1.237 46.347 45.100 0.017 0.000 0.775 159 G HN 0.337 nan 8.290 nan 0.000 0.547 160 K N -1.065 119.326 120.400 -0.015 0.000 3.596 160 K HA -0.216 4.103 4.320 -0.000 0.000 0.295 160 K C 1.328 177.922 176.600 -0.011 0.000 1.230 160 K CA 1.944 58.220 56.287 -0.018 0.000 1.029 160 K CB -1.280 31.205 32.500 -0.025 0.000 1.303 160 K HN 0.597 nan 8.250 nan 0.000 0.442 161 E N 0.220 120.418 120.200 -0.004 0.000 2.307 161 E HA 0.092 4.442 4.350 -0.000 0.000 0.195 161 E C -0.110 176.478 176.600 -0.020 0.000 0.975 161 E CA 0.444 56.840 56.400 -0.006 0.000 0.878 161 E CB 0.405 30.108 29.700 0.005 0.000 0.845 161 E HN 0.209 nan 8.360 nan 0.000 0.488 162 K N 0.998 121.383 120.400 -0.025 0.000 2.426 162 K HA 0.339 4.659 4.320 -0.000 0.000 0.251 162 K C -2.702 173.834 176.600 -0.107 0.000 0.941 162 K CA -2.180 54.062 56.287 -0.076 0.000 0.808 162 K CB 2.289 34.753 32.500 -0.059 0.000 1.265 162 K HN -0.142 nan 8.250 nan 0.000 0.432 163 P HA 0.192 nan 4.420 nan 0.000 0.277 163 P C -1.073 176.076 177.300 -0.251 0.000 1.276 163 P CA -0.222 62.689 63.100 -0.316 0.000 0.788 163 P CB 0.599 31.905 31.700 -0.657 0.000 1.114 164 F N -0.162 119.670 119.950 -0.196 0.000 2.608 164 F HA 0.572 5.099 4.527 -0.000 0.000 0.309 164 F C -1.593 174.268 175.800 0.102 0.000 1.103 164 F CA -0.967 57.022 58.000 -0.017 0.000 0.954 164 F CB 1.630 40.651 39.000 0.036 0.000 1.267 164 F HN 0.158 nan 8.300 nan 0.000 0.444 165 L N 6.730 128.022 121.223 0.115 0.000 2.401 165 L HA 0.854 5.194 4.340 -0.000 0.000 0.266 165 L C -1.879 175.025 176.870 0.057 0.000 0.991 165 L CA -0.597 54.206 54.840 -0.061 0.000 0.818 165 L CB 1.912 43.657 42.059 -0.523 0.000 1.321 165 L HN 0.523 nan 8.230 nan 0.000 0.413 166 F N 1.211 121.114 119.950 -0.078 0.000 2.654 166 F HA 0.813 5.340 4.527 -0.001 0.000 0.308 166 F C -0.843 174.904 175.800 -0.088 0.000 1.108 166 F CA -0.603 57.434 58.000 0.061 0.000 0.957 166 F CB 0.982 40.194 39.000 0.352 0.000 1.309 166 F HN 0.580 nan 8.300 nan 0.000 0.446 167 S N 1.446 117.204 115.700 0.097 0.000 2.616 167 S HA 0.637 5.107 4.470 -0.000 0.000 0.277 167 S C -0.739 173.925 174.600 0.106 0.000 1.234 167 S CA -0.483 57.647 58.200 -0.117 0.000 1.028 167 S CB 1.723 64.718 63.200 -0.342 0.000 0.988 167 S HN 0.938 nan 8.310 nan 0.000 0.522 168 Q N 1.376 121.227 119.800 0.085 0.000 2.695 168 Q HA 0.413 4.752 4.340 -0.000 0.000 0.246 168 Q C -0.883 175.179 176.000 0.103 0.000 0.961 168 Q CA -0.258 55.580 55.803 0.058 0.000 0.708 168 Q CB 0.425 29.209 28.738 0.076 0.000 1.282 168 Q HN 0.744 nan 8.270 nan 0.000 0.482 169 N N 2.158 120.937 118.700 0.132 0.000 2.370 169 N HA -0.002 4.738 4.740 -0.000 0.000 0.198 169 N C -0.706 174.918 175.510 0.190 0.000 1.156 169 N CA 0.202 53.398 53.050 0.244 0.000 0.839 169 N CB 0.532 39.154 38.487 0.226 0.000 0.989 169 N HN 0.602 nan 8.380 nan 0.000 0.468 170 Q N 0.034 119.891 119.800 0.096 0.000 2.347 170 Q HA 0.553 4.893 4.340 -0.000 0.000 0.262 170 Q C -0.065 175.866 176.000 -0.115 0.000 0.980 170 Q CA -0.513 55.241 55.803 -0.080 0.000 0.867 170 Q CB 1.346 29.999 28.738 -0.141 0.000 1.242 170 Q HN 0.098 nan 8.270 nan 0.000 0.453 171 A N 4.999 127.594 122.820 -0.374 0.000 1.970 171 A HA 0.229 4.549 4.320 -0.000 0.000 0.204 171 A C 0.804 178.170 177.584 -0.363 0.000 1.325 171 A CA 0.226 51.804 52.037 -0.766 0.000 0.767 171 A CB 0.217 18.384 19.000 -1.388 0.000 0.949 171 A HN 0.808 nan 8.150 nan 0.000 0.481 172 I N -3.887 116.396 120.570 -0.479 0.000 2.859 172 I HA 0.516 4.685 4.170 -0.000 0.000 0.296 172 I C -0.198 175.680 176.117 -0.400 0.000 1.300 172 I CA -0.439 60.703 61.300 -0.264 0.000 1.020 172 I CB 0.297 38.220 38.000 -0.129 0.000 1.823 172 I HN 0.095 nan 8.210 nan 0.000 0.599 173 H N 2.340 121.451 119.070 0.069 0.000 3.058 173 H HA 0.408 4.964 4.556 -0.000 0.000 0.266 173 H C 1.866 177.292 175.328 0.163 0.000 1.135 173 H CA 0.570 56.690 56.048 0.119 0.000 1.174 173 H CB 1.163 31.004 29.762 0.131 0.000 1.581 173 H HN 0.658 nan 8.280 nan 0.000 0.553 174 A N 1.922 124.819 122.820 0.127 0.000 1.969 174 A HA -0.166 4.154 4.320 -0.000 0.000 0.218 174 A C 2.431 179.868 177.584 -0.245 0.000 1.169 174 A CA 1.307 53.266 52.037 -0.130 0.000 0.635 174 A CB -0.356 18.518 19.000 -0.211 0.000 0.810 174 A HN 0.440 nan 8.150 nan 0.000 0.445 175 R N 0.483 120.935 120.500 -0.079 0.000 2.189 175 R HA -0.076 4.263 4.340 -0.000 0.000 0.223 175 R C 1.734 178.044 176.300 0.016 0.000 1.092 175 R CA 1.726 57.781 56.100 -0.074 0.000 0.989 175 R CB -0.816 29.476 30.300 -0.012 0.000 0.876 175 R HN 0.500 nan 8.270 nan 0.000 0.457 176 S N 0.433 116.231 115.700 0.163 0.000 2.555 176 S HA -0.042 4.428 4.470 -0.000 0.000 0.230 176 S C 1.028 175.838 174.600 0.350 0.000 0.978 176 S CA 0.256 58.609 58.200 0.255 0.000 0.934 176 S CB -0.464 62.926 63.200 0.316 0.000 0.766 176 S HN 0.785 nan 8.310 nan 0.000 0.533 177 W N -0.160 121.178 121.300 0.063 0.000 1.479 177 W HA 0.563 5.222 4.660 -0.000 0.000 0.224 177 W C -1.043 175.533 176.519 0.094 0.000 0.799 177 W CA -0.998 56.416 57.345 0.114 0.000 1.149 177 W CB -0.570 28.945 29.460 0.092 0.000 0.935 177 W HN 0.075 nan 8.180 nan 0.000 0.454 178 I N 3.898 124.272 120.570 -0.326 0.000 2.611 178 I HA 0.256 4.425 4.170 -0.000 0.000 0.287 178 I C -2.543 173.305 176.117 -0.449 0.000 1.184 178 I CA -1.764 59.240 61.300 -0.493 0.000 1.054 178 I CB 3.163 40.718 38.000 -0.740 0.000 1.257 178 I HN -0.400 nan 8.210 nan 0.000 0.435 179 P HA 0.459 nan 4.420 nan 0.000 0.287 179 P C -0.735 176.410 177.300 -0.258 0.000 1.307 179 P CA 0.066 62.945 63.100 -0.369 0.000 0.777 179 P CB 1.896 33.339 31.700 -0.429 0.000 0.883 180 I N 2.008 122.466 120.570 -0.187 0.000 3.395 180 I HA 0.179 4.349 4.170 -0.000 0.000 0.318 180 I C -0.992 175.071 176.117 -0.090 0.000 1.262 180 I CA -1.061 60.149 61.300 -0.150 0.000 0.910 180 I CB 2.289 40.163 38.000 -0.210 0.000 1.329 180 I HN 0.079 nan 8.210 nan 0.000 0.485 181 Q N 2.131 121.881 119.800 -0.083 0.000 2.571 181 Q HA 0.201 4.541 4.340 -0.000 0.000 0.222 181 Q C -1.354 174.595 176.000 -0.085 0.000 1.167 181 Q CA -0.230 55.542 55.803 -0.052 0.000 0.966 181 Q CB 0.209 28.916 28.738 -0.052 0.000 1.274 181 Q HN 0.284 nan 8.270 nan 0.000 0.552 182 D N 2.178 122.545 120.400 -0.055 0.000 2.398 182 D HA 0.049 4.688 4.640 -0.000 0.000 0.250 182 D C -0.902 175.384 176.300 -0.023 0.000 1.287 182 D CA 0.636 54.614 54.000 -0.036 0.000 0.992 182 D CB 0.375 41.168 40.800 -0.012 0.000 1.071 182 D HN 0.193 nan 8.370 nan 0.000 0.514 183 T N 3.712 118.211 114.554 -0.091 0.000 2.982 183 T HA 0.251 4.601 4.350 -0.000 0.000 0.321 183 T C -2.234 172.335 174.700 -0.218 0.000 1.229 183 T CA -1.058 60.916 62.100 -0.209 0.000 1.044 183 T CB 2.058 70.663 68.868 -0.438 0.000 1.184 183 T HN -0.013 nan 8.240 nan 0.000 0.477 184 P HA 0.116 nan 4.420 nan 0.000 0.237 184 P C 0.983 178.131 177.300 -0.253 0.000 1.178 184 P CA 0.406 63.361 63.100 -0.242 0.000 0.766 184 P CB 0.204 31.582 31.700 -0.537 0.000 0.876 185 S N -1.409 114.081 115.700 -0.349 0.000 2.501 185 S HA 0.073 4.543 4.470 -0.000 0.000 0.220 185 S C 0.814 175.240 174.600 -0.290 0.000 0.997 185 S CA 0.220 58.226 58.200 -0.322 0.000 0.919 185 S CB 0.018 62.952 63.200 -0.444 0.000 0.778 185 S HN -0.053 nan 8.310 nan 0.000 0.523 186 V N 3.112 122.843 119.914 -0.305 0.000 2.357 186 V HA 0.392 4.512 4.120 -0.000 0.000 0.284 186 V C -0.142 175.873 176.094 -0.131 0.000 1.018 186 V CA -0.648 61.531 62.300 -0.201 0.000 0.841 186 V CB 1.211 32.903 31.823 -0.219 0.000 0.991 186 V HN 0.197 nan 8.190 nan 0.000 0.437 187 R N 3.369 123.820 120.500 -0.082 0.000 2.407 187 R HA 0.803 5.143 4.340 -0.000 0.000 0.303 187 R C -0.737 175.545 176.300 -0.030 0.000 0.981 187 R CA -0.510 55.559 56.100 -0.052 0.000 0.905 187 R CB 2.084 32.376 30.300 -0.013 0.000 1.099 187 R HN 0.653 nan 8.270 nan 0.000 0.459 188 V N -1.336 118.561 119.914 -0.027 0.000 3.078 188 V HA 0.654 4.774 4.120 -0.000 0.000 0.311 188 V C -0.030 176.097 176.094 0.055 0.000 1.138 188 V CA -0.941 61.361 62.300 0.003 0.000 1.007 188 V CB 1.966 33.760 31.823 -0.048 0.000 1.045 188 V HN 0.878 nan 8.190 nan 0.000 0.432 189 T N 0.785 115.424 114.554 0.142 0.000 2.927 189 T HA 0.816 5.166 4.350 -0.000 0.000 0.281 189 T C -0.649 174.173 174.700 0.202 0.000 0.998 189 T CA -0.233 62.004 62.100 0.229 0.000 1.019 189 T CB 1.492 70.529 68.868 0.280 0.000 1.061 189 T HN 1.822 nan 8.240 nan 0.000 0.518 190 Y N -1.299 118.976 120.300 -0.042 0.000 2.562 190 Y HA 0.739 5.289 4.550 -0.000 0.000 0.345 190 Y C -0.746 175.138 175.900 -0.026 0.000 1.045 190 Y CA -1.188 56.753 58.100 -0.265 0.000 1.028 190 Y CB 1.305 39.611 38.460 -0.257 0.000 1.297 190 Y HN 1.021 nan 8.280 nan 0.000 0.463 191 T N 0.281 114.810 114.554 -0.042 0.000 2.900 191 T HA 0.944 5.294 4.350 -0.000 0.000 0.295 191 T C -0.982 173.538 174.700 -0.300 0.000 1.044 191 T CA -0.392 61.635 62.100 -0.122 0.000 0.995 191 T CB 1.561 70.582 68.868 0.255 0.000 1.072 191 T HN 1.658 nan 8.240 nan 0.000 0.473 192 A N 2.249 124.721 122.820 -0.581 0.000 2.456 192 A HA 0.732 5.052 4.320 -0.000 0.000 0.288 192 A C -0.580 176.714 177.584 -0.484 0.000 1.042 192 A CA -0.874 50.888 52.037 -0.459 0.000 0.738 192 A CB 1.498 20.433 19.000 -0.108 0.000 1.266 192 A HN 0.656 nan 8.150 nan 0.000 0.407 193 R N 3.268 123.524 120.500 -0.407 0.000 2.205 193 R HA 0.396 4.736 4.340 -0.000 0.000 0.342 193 R C -0.904 175.404 176.300 0.014 0.000 1.058 193 R CA -0.558 55.522 56.100 -0.033 0.000 0.904 193 R CB -0.115 30.302 30.300 0.195 0.000 1.089 193 R HN 0.625 nan 8.270 nan 0.000 0.471 194 I N 3.200 123.877 120.570 0.179 0.000 2.412 194 I HA 0.291 4.461 4.170 -0.000 0.000 0.296 194 I C 0.337 176.589 176.117 0.224 0.000 0.987 194 I CA -0.572 60.847 61.300 0.198 0.000 1.180 194 I CB 1.702 39.881 38.000 0.299 0.000 1.340 194 I HN 0.288 nan 8.210 nan 0.000 0.455 195 T N 5.022 119.656 114.554 0.134 0.000 2.791 195 T HA 0.526 4.876 4.350 -0.000 0.000 0.288 195 T C 0.407 175.181 174.700 0.124 0.000 0.999 195 T CA -0.487 61.674 62.100 0.102 0.000 0.952 195 T CB 1.283 70.182 68.868 0.052 0.000 0.938 195 T HN 0.823 nan 8.240 nan 0.000 0.444 196 T N 0.192 114.855 114.554 0.180 0.000 2.905 196 T HA 0.551 4.901 4.350 -0.000 0.000 0.283 196 T C -0.280 174.515 174.700 0.158 0.000 1.031 196 T CA -1.031 61.191 62.100 0.204 0.000 1.002 196 T CB 0.774 69.839 68.868 0.328 0.000 1.200 196 T HN 0.279 nan 8.240 nan 0.000 0.560 197 D N 0.978 121.488 120.400 0.182 0.000 2.461 197 D HA 0.057 4.696 4.640 -0.000 0.000 0.231 197 D C 0.231 176.601 176.300 0.117 0.000 1.208 197 D CA 0.504 54.590 54.000 0.143 0.000 0.879 197 D CB 0.210 41.104 40.800 0.156 0.000 1.220 197 D HN 0.514 nan 8.370 nan 0.000 0.480 198 K N 1.283 121.729 120.400 0.076 0.000 2.513 198 K HA -0.149 4.171 4.320 -0.000 0.000 0.275 198 K C -0.008 176.644 176.600 0.085 0.000 1.025 198 K CA 0.906 57.235 56.287 0.069 0.000 1.125 198 K CB 0.159 32.689 32.500 0.050 0.000 0.843 198 K HN 0.360 nan 8.250 nan 0.000 0.486 199 D N 0.210 120.665 120.400 0.092 0.000 2.839 199 D HA -0.152 4.488 4.640 -0.000 0.000 0.194 199 D C -0.964 175.383 176.300 0.079 0.000 0.988 199 D CA 0.874 54.920 54.000 0.076 0.000 1.009 199 D CB -0.754 40.078 40.800 0.053 0.000 1.067 199 D HN 0.140 nan 8.370 nan 0.000 0.444 200 L N 0.067 121.359 121.223 0.116 0.000 2.313 200 L HA 0.730 5.070 4.340 -0.000 0.000 0.268 200 L C -0.198 176.754 176.870 0.137 0.000 1.010 200 L CA -0.925 53.975 54.840 0.101 0.000 0.814 200 L CB 1.245 43.376 42.059 0.121 0.000 1.304 200 L HN 0.064 nan 8.230 nan 0.000 0.441 201 L N 1.192 122.397 121.223 -0.030 0.000 2.346 201 L HA 0.909 5.249 4.340 -0.000 0.000 0.274 201 L C -0.637 175.988 176.870 -0.408 0.000 1.007 201 L CA -0.346 54.368 54.840 -0.209 0.000 0.818 201 L CB 1.621 43.611 42.059 -0.116 0.000 1.284 201 L HN 0.668 nan 8.230 nan 0.000 0.424 202 A N 4.271 126.615 122.820 -0.794 0.000 2.324 202 A HA 0.847 5.167 4.320 -0.000 0.000 0.330 202 A C -1.158 176.275 177.584 -0.251 0.000 1.165 202 A CA -0.486 51.273 52.037 -0.463 0.000 0.813 202 A CB 1.423 20.277 19.000 -0.244 0.000 1.197 202 A HN 0.594 nan 8.150 nan 0.000 0.484 203 V N 2.479 122.169 119.914 -0.373 0.000 3.102 203 V HA 0.770 4.890 4.120 -0.000 0.000 0.312 203 V C -0.128 175.578 176.094 -0.647 0.000 1.135 203 V CA -0.413 61.644 62.300 -0.404 0.000 1.022 203 V CB 2.190 33.682 31.823 -0.551 0.000 1.056 203 V HN 1.066 nan 8.190 nan 0.000 0.436 204 M N 0.772 120.056 119.600 -0.527 0.000 3.084 204 M HA 0.283 4.763 4.480 -0.000 0.000 0.273 204 M C -0.772 175.470 176.300 -0.097 0.000 1.242 204 M CA -0.557 54.504 55.300 -0.400 0.000 0.819 204 M CB 2.546 34.755 32.600 -0.651 0.000 1.625 204 M HN 0.542 nan 8.290 nan 0.000 0.493 205 S N 0.093 115.829 115.700 0.060 0.000 3.548 205 S HA 0.761 5.230 4.470 -0.000 0.000 0.195 205 S C -0.407 174.254 174.600 0.102 0.000 1.432 205 S CA -0.234 58.022 58.200 0.092 0.000 1.087 205 S CB -0.507 62.737 63.200 0.073 0.000 1.337 205 S HN 0.737 nan 8.310 nan 0.000 0.505 206 A N 1.610 124.447 122.820 0.028 0.000 2.594 206 A HA 0.693 5.013 4.320 -0.000 0.000 0.307 206 A C -1.479 176.146 177.584 0.069 0.000 1.203 206 A CA -1.163 50.851 52.037 -0.038 0.000 0.644 206 A CB 0.398 19.208 19.000 -0.316 0.000 1.349 206 A HN 0.388 nan 8.150 nan 0.000 0.510 207 N N 2.143 120.879 118.700 0.060 0.000 2.444 207 N HA 0.377 5.117 4.740 -0.000 0.000 0.271 207 N C -1.068 174.499 175.510 0.094 0.000 1.069 207 N CA -0.212 52.887 53.050 0.081 0.000 0.965 207 N CB 0.554 39.075 38.487 0.056 0.000 1.092 207 N HN 0.684 nan 8.380 nan 0.000 0.476 208 N N -0.045 118.703 118.700 0.080 0.000 2.438 208 N HA 0.208 4.948 4.740 -0.000 0.000 0.282 208 N C -0.351 175.127 175.510 -0.054 0.000 1.037 208 N CA -0.686 52.342 53.050 -0.036 0.000 0.942 208 N CB 1.216 39.713 38.487 0.016 0.000 1.136 208 N HN 0.436 nan 8.380 nan 0.000 0.481 215 D N -1.135 119.256 120.400 -0.015 0.000 2.525 215 D HA 0.271 4.911 4.640 -0.000 0.000 0.248 215 D C 0.976 177.206 176.300 -0.118 0.000 1.000 215 D CA 0.772 54.723 54.000 -0.082 0.000 0.923 215 D CB 0.646 41.366 40.800 -0.134 0.000 1.101 215 D HN 0.738 nan 8.370 nan 0.000 0.493 216 G N -0.138 108.455 108.800 -0.345 0.000 2.173 216 G HA2 -0.112 3.848 3.960 -0.000 0.000 0.142 216 G HA3 -0.112 3.848 3.960 -0.000 0.000 0.142 216 G C -0.801 173.853 174.900 -0.411 0.000 1.019 216 G CA -0.015 44.964 45.100 -0.201 0.000 0.699 216 G HN 0.455 nan 8.290 nan 0.000 0.495 217 D N 0.326 120.258 120.400 -0.780 0.000 2.358 217 D HA 0.541 5.181 4.640 -0.000 0.000 0.253 217 D C -0.863 175.044 176.300 -0.655 0.000 1.288 217 D CA -0.291 53.424 54.000 -0.475 0.000 0.950 217 D CB 0.844 41.510 40.800 -0.223 0.000 1.197 217 D HN 0.168 nan 8.370 nan 0.000 0.550 218 Y N 1.757 122.062 120.300 0.009 0.000 2.562 218 Y HA 0.617 5.167 4.550 -0.000 0.000 0.343 218 Y C -0.604 175.241 175.900 -0.091 0.000 1.025 218 Y CA -1.199 56.802 58.100 -0.164 0.000 1.082 218 Y CB 2.055 40.364 38.460 -0.252 0.000 1.264 218 Y HN 0.236 nan 8.280 nan 0.000 0.478 219 F N 2.227 121.992 119.950 -0.310 0.000 2.574 219 F HA 0.699 5.226 4.527 -0.000 0.000 0.313 219 F C -2.139 173.446 175.800 -0.358 0.000 1.130 219 F CA -1.330 56.603 58.000 -0.112 0.000 0.936 219 F CB 0.956 39.924 39.000 -0.053 0.000 1.219 219 F HN 0.303 nan 8.300 nan 0.000 0.445 220 F N 2.786 122.539 119.950 -0.328 0.000 2.556 220 F HA 0.700 5.226 4.527 -0.000 0.000 0.327 220 F C -0.022 175.550 175.800 -0.379 0.000 1.059 220 F CA -1.149 56.709 58.000 -0.236 0.000 0.953 220 F CB 2.070 40.940 39.000 -0.216 0.000 1.227 220 F HN 0.366 nan 8.300 nan 0.000 0.478 221 S N 2.365 118.020 115.700 -0.075 0.000 2.736 221 S HA 0.586 5.055 4.470 -0.000 0.000 0.285 221 S C -1.343 173.148 174.600 -0.181 0.000 1.163 221 S CA -0.560 57.564 58.200 -0.127 0.000 1.025 221 S CB 0.789 64.027 63.200 0.063 0.000 1.030 221 S HN 0.639 nan 8.310 nan 0.000 0.486 222 M N 8.223 127.622 119.600 -0.334 0.000 2.060 222 M HA 0.540 5.019 4.480 -0.000 0.000 0.342 222 M C -2.308 173.969 176.300 -0.038 0.000 1.031 222 M CA -2.120 53.064 55.300 -0.192 0.000 0.981 222 M CB 1.608 34.018 32.600 -0.315 0.000 1.376 222 M HN 0.334 nan 8.290 nan 0.000 0.397 223 P HA 0.020 nan 4.420 nan 0.000 0.253 223 P C -0.871 176.364 177.300 -0.108 0.000 1.260 223 P CA 0.527 63.605 63.100 -0.037 0.000 0.800 223 P CB 0.132 31.802 31.700 -0.050 0.000 1.162 224 Q N 0.542 120.294 119.800 -0.080 0.000 2.325 224 Q HA 0.534 4.873 4.340 -0.000 0.000 0.262 224 Q C -0.123 175.836 176.000 -0.068 0.000 0.968 224 Q CA -0.776 54.895 55.803 -0.221 0.000 0.877 224 Q CB 2.175 30.815 28.738 -0.164 0.000 1.253 224 Q HN 0.003 nan 8.270 nan 0.000 0.448 225 A N 4.515 127.213 122.820 -0.202 0.000 2.522 225 A HA 0.377 4.697 4.320 -0.000 0.000 0.256 225 A C 0.193 177.843 177.584 0.110 0.000 1.086 225 A CA 0.014 52.031 52.037 -0.032 0.000 0.763 225 A CB -0.560 18.401 19.000 -0.066 0.000 1.024 225 A HN 0.734 nan 8.150 nan 0.000 0.502 226 I N 0.526 121.153 120.570 0.094 0.000 2.828 226 I HA 0.701 4.871 4.170 -0.000 0.000 0.302 226 I C -2.784 173.274 176.117 -0.098 0.000 1.101 226 I CA -3.020 58.312 61.300 0.053 0.000 1.031 226 I CB 2.783 40.800 38.000 0.029 0.000 1.231 226 I HN 0.309 nan 8.210 nan 0.000 0.427 227 P HA 0.253 nan 4.420 nan 0.000 0.275 227 P C -2.313 174.795 177.300 -0.320 0.000 1.227 227 P CA -1.393 61.574 63.100 -0.222 0.000 0.781 227 P CB 0.469 32.056 31.700 -0.188 0.000 0.906 228 P HA -0.218 nan 4.420 nan 0.000 0.219 228 P C 1.353 178.539 177.300 -0.191 0.000 1.151 228 P CA 1.814 64.768 63.100 -0.243 0.000 0.850 228 P CB -0.805 30.777 31.700 -0.197 0.000 0.784 229 Y N -2.018 118.231 120.300 -0.084 0.000 2.639 229 Y HA 0.067 4.617 4.550 -0.000 0.000 0.297 229 Y C 1.530 177.370 175.900 -0.099 0.000 1.151 229 Y CA 0.465 58.539 58.100 -0.044 0.000 1.335 229 Y CB -1.436 37.060 38.460 0.061 0.000 0.994 229 Y HN -0.072 nan 8.280 nan 0.000 0.548 230 L N 0.660 121.569 121.223 -0.524 0.000 2.585 230 L HA 0.240 4.580 4.340 -0.000 0.000 0.226 230 L C 0.438 177.122 176.870 -0.311 0.000 1.113 230 L CA -0.129 54.430 54.840 -0.468 0.000 0.876 230 L CB 0.120 41.821 42.059 -0.596 0.000 1.072 230 L HN 0.133 nan 8.230 nan 0.000 0.468 231 I N 1.390 121.756 120.570 -0.341 0.000 2.517 231 I HA 0.194 4.364 4.170 -0.000 0.000 0.285 231 I C 0.385 176.436 176.117 -0.110 0.000 1.106 231 I CA 0.096 61.138 61.300 -0.430 0.000 1.402 231 I CB 0.600 38.161 38.000 -0.732 0.000 1.399 231 I HN 0.040 nan 8.210 nan 0.000 0.535 232 A N 8.026 130.826 122.820 -0.033 0.000 2.515 232 A HA 0.882 5.201 4.320 -0.000 0.000 0.296 232 A C -1.071 176.556 177.584 0.072 0.000 1.094 232 A CA -0.542 51.511 52.037 0.027 0.000 0.718 232 A CB 2.197 21.063 19.000 -0.222 0.000 1.307 232 A HN 0.682 nan 8.150 nan 0.000 0.408 233 I N 0.277 120.871 120.570 0.040 0.000 2.752 233 I HA 0.702 4.872 4.170 -0.000 0.000 0.295 233 I C -0.360 175.751 176.117 -0.009 0.000 1.219 233 I CA -0.433 60.809 61.300 -0.098 0.000 1.030 233 I CB 2.333 40.153 38.000 -0.300 0.000 1.259 233 I HN 0.935 nan 8.210 nan 0.000 0.423 234 G N 5.928 114.633 108.800 -0.158 0.000 2.701 234 G HA2 0.649 4.608 3.960 -0.000 0.000 0.300 234 G HA3 0.649 4.608 3.960 -0.000 0.000 0.300 234 G C -2.000 172.664 174.900 -0.393 0.000 1.410 234 G CA -0.357 44.613 45.100 -0.217 0.000 1.014 234 G HN 0.404 nan 8.290 nan 0.000 0.509 235 V N 0.954 120.576 119.914 -0.487 0.000 2.623 235 V HA 0.994 5.113 4.120 -0.000 0.000 0.304 235 V C 0.516 176.204 176.094 -0.677 0.000 1.054 235 V CA 0.305 62.346 62.300 -0.431 0.000 0.882 235 V CB 1.221 32.938 31.823 -0.177 0.000 1.002 235 V HN 1.488 nan 8.190 nan 0.000 0.424 236 G N 2.449 110.902 108.800 -0.577 0.000 2.340 236 G HA2 0.364 4.324 3.960 -0.000 0.000 0.299 236 G HA3 0.364 4.324 3.960 -0.000 0.000 0.299 236 G C -1.699 173.076 174.900 -0.208 0.000 1.291 236 G CA -0.591 44.188 45.100 -0.535 0.000 0.841 236 G HN 0.479 nan 8.290 nan 0.000 0.500 237 D N 0.968 121.337 120.400 -0.052 0.000 2.545 237 D HA 0.333 4.973 4.640 -0.000 0.000 0.227 237 D C 0.414 176.768 176.300 0.090 0.000 1.150 237 D CA 0.136 54.157 54.000 0.035 0.000 1.046 237 D CB -0.581 40.260 40.800 0.068 0.000 1.098 237 D HN 0.321 nan 8.370 nan 0.000 0.502 238 L N 2.267 123.531 121.223 0.068 0.000 2.343 238 L HA 0.437 4.777 4.340 -0.000 0.000 0.275 238 L C 0.729 177.702 176.870 0.172 0.000 1.056 238 L CA -0.802 54.125 54.840 0.144 0.000 0.804 238 L CB 1.407 43.548 42.059 0.136 0.000 1.203 238 L HN 0.050 nan 8.230 nan 0.000 0.440 239 E N 1.850 122.158 120.200 0.180 0.000 2.299 239 E HA 0.514 4.864 4.350 -0.000 0.000 0.265 239 E C -1.491 175.193 176.600 0.141 0.000 0.911 239 E CA -0.579 55.907 56.400 0.142 0.000 0.789 239 E CB 3.185 32.931 29.700 0.077 0.000 1.246 239 E HN 0.334 nan 8.360 nan 0.000 0.427 240 F N 0.680 120.556 119.950 -0.124 0.000 2.574 240 F HA 0.452 4.979 4.527 -0.001 0.000 0.313 240 F C -1.122 174.544 175.800 -0.223 0.000 1.130 240 F CA -0.524 57.272 58.000 -0.341 0.000 0.936 240 F CB 1.370 40.021 39.000 -0.580 0.000 1.219 240 F HN 0.150 nan 8.300 nan 0.000 0.445 241 K N 4.815 124.622 120.400 -0.988 0.000 2.422 241 K HA 0.802 5.121 4.320 -0.000 0.000 0.251 241 K C -0.836 175.063 176.600 -1.169 0.000 0.933 241 K CA -1.027 54.812 56.287 -0.747 0.000 0.798 241 K CB 2.262 34.540 32.500 -0.369 0.000 1.238 241 K HN 0.698 nan 8.250 nan 0.000 0.428 242 A N 1.934 124.304 122.820 -0.750 0.000 2.336 242 A HA 0.586 4.906 4.320 -0.000 0.000 0.291 242 A C 0.461 177.895 177.584 -0.251 0.000 1.266 242 A CA -0.143 51.608 52.037 -0.476 0.000 0.891 242 A CB 0.524 19.472 19.000 -0.087 0.000 1.366 242 A HN 0.864 nan 8.150 nan 0.000 0.507 243 M N -1.336 118.188 119.600 -0.126 0.000 2.049 243 M HA 0.113 4.592 4.480 -0.000 0.000 0.223 243 M C 0.688 176.978 176.300 -0.018 0.000 1.356 243 M CA 0.731 55.991 55.300 -0.066 0.000 1.017 243 M CB 0.426 33.000 32.600 -0.042 0.000 1.639 243 M HN 0.810 nan 8.290 nan 0.000 0.583 244 S N -0.867 114.825 115.700 -0.013 0.000 2.837 244 S HA 0.339 4.809 4.470 -0.000 0.000 0.314 244 S C 0.737 175.357 174.600 0.034 0.000 1.098 244 S CA -0.580 57.628 58.200 0.014 0.000 0.903 244 S CB 0.160 63.327 63.200 -0.056 0.000 1.310 244 S HN 0.462 nan 8.310 nan 0.000 0.581 245 H N 0.228 119.333 119.070 0.058 0.000 2.462 245 H HA 0.071 4.627 4.556 -0.000 0.000 0.292 245 H C 1.019 176.406 175.328 0.098 0.000 1.049 245 H CA 1.395 57.486 56.048 0.072 0.000 1.334 245 H CB -0.176 29.623 29.762 0.063 0.000 1.404 245 H HN 0.829 nan 8.280 nan 0.000 0.544 246 Q N 1.138 120.689 119.800 -0.415 0.000 2.110 246 Q HA 0.219 4.559 4.340 -0.000 0.000 0.232 246 Q C -0.493 175.479 176.000 -0.046 0.000 0.810 246 Q CA -0.185 55.529 55.803 -0.148 0.000 1.083 246 Q CB 0.822 29.462 28.738 -0.163 0.000 1.193 246 Q HN 0.291 nan 8.270 nan 0.000 0.471 247 T N -2.787 111.743 114.554 -0.040 0.000 2.971 247 T HA 0.821 5.171 4.350 -0.000 0.000 0.304 247 T C -0.121 174.578 174.700 -0.001 0.000 1.038 247 T CA -0.194 61.915 62.100 0.016 0.000 1.007 247 T CB 1.914 70.796 68.868 0.023 0.000 1.055 247 T HN 0.290 nan 8.240 nan 0.000 0.451 248 G N 1.523 110.319 108.800 -0.006 0.000 2.721 248 G HA2 0.741 4.701 3.960 -0.000 0.000 0.296 248 G HA3 0.741 4.701 3.960 -0.000 0.000 0.296 248 G C -1.809 172.962 174.900 -0.215 0.000 1.383 248 G CA -1.023 43.950 45.100 -0.213 0.000 0.788 248 G HN 0.910 nan 8.290 nan 0.000 0.500 249 I N -0.620 119.659 120.570 -0.485 0.000 2.730 249 I HA 0.476 4.646 4.170 -0.000 0.000 0.298 249 I C -1.573 174.358 176.117 -0.310 0.000 1.089 249 I CA -0.818 60.332 61.300 -0.251 0.000 1.041 249 I CB 2.701 40.606 38.000 -0.159 0.000 1.235 249 I HN 0.422 nan 8.210 nan 0.000 0.423 250 Y N 3.329 123.627 120.300 -0.003 0.000 2.391 250 Y HA 0.836 5.386 4.550 -0.001 0.000 0.341 250 Y C 0.191 176.080 175.900 -0.018 0.000 0.965 250 Y CA -0.389 57.745 58.100 0.056 0.000 1.067 250 Y CB 2.158 40.650 38.460 0.052 0.000 1.199 250 Y HN 0.699 nan 8.280 nan 0.000 0.450 251 A N 1.572 124.475 122.820 0.137 0.000 2.483 251 A HA 0.498 4.818 4.320 -0.000 0.000 0.306 251 A C -0.818 176.832 177.584 0.110 0.000 1.137 251 A CA -0.919 51.162 52.037 0.072 0.000 0.626 251 A CB 0.898 19.863 19.000 -0.058 0.000 1.352 251 A HN 0.698 nan 8.150 nan 0.000 0.508 252 E N 0.735 121.011 120.200 0.128 0.000 2.349 252 E HA 0.366 4.716 4.350 -0.000 0.000 0.201 252 E C 0.238 176.976 176.600 0.230 0.000 1.087 252 E CA 0.423 56.966 56.400 0.239 0.000 1.128 252 E CB 0.003 29.936 29.700 0.387 0.000 1.188 252 E HN 0.651 nan 8.360 nan 0.000 0.445 253 S N -0.630 115.117 115.700 0.079 0.000 1.616 253 S HA -0.376 4.093 4.470 -0.000 0.000 0.237 253 S C 1.326 175.946 174.600 0.032 0.000 0.811 253 S CA 1.965 60.197 58.200 0.053 0.000 1.381 253 S CB -1.406 61.850 63.200 0.094 0.000 1.728 253 S HN 0.681 nan 8.310 nan 0.000 0.522 254 Y N 1.302 121.609 120.300 0.012 0.000 2.181 254 Y HA 0.217 4.767 4.550 -0.000 0.000 0.288 254 Y C 2.021 177.922 175.900 0.001 0.000 1.146 254 Y CA 1.660 59.764 58.100 0.006 0.000 1.164 254 Y CB -0.414 38.050 38.460 0.007 0.000 0.982 254 Y HN 0.496 nan 8.280 nan 0.000 0.515 255 I N -0.316 119.547 120.570 -1.178 0.000 3.883 255 I HA -0.003 4.166 4.170 -0.000 0.000 0.326 255 I C 1.704 177.578 176.117 -0.406 0.000 1.283 255 I CA 0.186 60.954 61.300 -0.887 0.000 1.161 255 I CB 0.004 37.226 38.000 -1.297 0.000 1.012 255 I HN 0.360 nan 8.210 nan 0.000 0.421 256 L N 1.223 122.271 121.223 -0.293 0.000 1.943 256 L HA -0.257 4.083 4.340 -0.000 0.000 0.215 256 L C 1.894 178.679 176.870 -0.141 0.000 1.074 256 L CA 2.166 56.905 54.840 -0.168 0.000 0.759 256 L CB -0.922 41.071 42.059 -0.110 0.000 0.888 256 L HN 0.216 nan 8.230 nan 0.000 0.433 257 D N -0.619 119.710 120.400 -0.118 0.000 2.264 257 D HA -0.086 4.553 4.640 -0.000 0.000 0.208 257 D C 2.042 178.276 176.300 -0.110 0.000 0.966 257 D CA 1.216 55.155 54.000 -0.102 0.000 0.864 257 D CB 0.064 40.819 40.800 -0.074 0.000 0.933 257 D HN 0.528 nan 8.370 nan 0.000 0.499 258 A N 0.833 123.578 122.820 -0.125 0.000 1.929 258 A HA 0.073 4.393 4.320 -0.000 0.000 0.216 258 A C 2.286 179.762 177.584 -0.180 0.000 1.176 258 A CA 1.582 53.539 52.037 -0.133 0.000 0.628 258 A CB -0.337 18.590 19.000 -0.122 0.000 0.816 258 A HN 0.213 nan 8.150 nan 0.000 0.444 259 A N -0.651 122.074 122.820 -0.158 0.000 1.929 259 A HA 0.080 4.400 4.320 -0.000 0.000 0.216 259 A C 2.113 179.630 177.584 -0.111 0.000 1.176 259 A CA 1.562 53.531 52.037 -0.114 0.000 0.628 259 A CB -0.678 18.357 19.000 0.057 0.000 0.816 259 A HN 0.338 nan 8.150 nan 0.000 0.444 260 V N -0.315 119.544 119.914 -0.091 0.000 2.667 260 V HA -0.139 3.981 4.120 -0.000 0.000 0.252 260 V C 2.861 178.896 176.094 -0.099 0.000 1.065 260 V CA 1.564 63.819 62.300 -0.074 0.000 1.083 260 V CB -0.722 31.035 31.823 -0.110 0.000 0.692 260 V HN 0.586 nan 8.190 nan 0.000 0.468 261 A N -0.364 122.373 122.820 -0.139 0.000 2.016 261 A HA -0.133 4.187 4.320 -0.000 0.000 0.217 261 A C 2.138 179.604 177.584 -0.195 0.000 1.162 261 A CA 1.565 53.522 52.037 -0.134 0.000 0.662 261 A CB -0.211 18.719 19.000 -0.116 0.000 0.812 261 A HN 0.517 nan 8.150 nan 0.000 0.450 262 E N -1.371 118.600 120.200 -0.381 0.000 2.250 262 E HA 0.080 4.430 4.350 -0.000 0.000 0.192 262 E C 0.209 176.443 176.600 -0.610 0.000 0.986 262 E CA 0.729 56.768 56.400 -0.602 0.000 0.849 262 E CB -0.024 29.038 29.700 -1.064 0.000 0.797 262 E HN 0.555 nan 8.360 nan 0.000 0.482 263 F N 0.413 120.381 119.950 0.030 0.000 2.764 263 F HA 0.202 4.729 4.527 -0.001 0.000 0.310 263 F C 0.435 176.262 175.800 0.045 0.000 1.124 263 F CA -0.519 57.516 58.000 0.058 0.000 1.252 263 F CB 0.354 39.387 39.000 0.054 0.000 1.010 263 F HN -0.056 nan 8.300 nan 0.000 0.518 264 D N -1.055 119.406 120.400 0.102 0.000 2.355 264 D HA -0.093 4.547 4.640 -0.000 0.000 0.253 264 D C 0.634 176.975 176.300 0.068 0.000 1.187 264 D CA 0.515 54.555 54.000 0.066 0.000 0.900 264 D CB -0.280 40.525 40.800 0.008 0.000 0.915 264 D HN 0.258 nan 8.370 nan 0.000 0.516 265 D N -0.279 120.193 120.400 0.119 0.000 2.449 265 D HA -0.070 4.569 4.640 -0.000 0.000 0.210 265 D C 1.981 178.349 176.300 0.113 0.000 1.094 265 D CA 0.740 54.793 54.000 0.088 0.000 0.846 265 D CB 0.390 41.265 40.800 0.126 0.000 1.003 265 D HN 0.383 nan 8.370 nan 0.000 0.504 266 T N -0.371 114.283 114.554 0.167 0.000 2.803 266 T HA -0.263 4.086 4.350 -0.000 0.000 0.269 266 T C 1.943 176.693 174.700 0.085 0.000 1.052 266 T CA 1.299 63.496 62.100 0.161 0.000 1.136 266 T CB -0.029 68.978 68.868 0.231 0.000 0.864 266 T HN -0.129 nan 8.240 nan 0.000 0.467 267 Q N 2.046 121.882 119.800 0.059 0.000 2.112 267 Q HA 0.040 4.380 4.340 -0.000 0.000 0.206 267 Q C 2.423 178.436 176.000 0.021 0.000 0.987 267 Q CA 2.258 58.072 55.803 0.017 0.000 0.858 267 Q CB -1.164 27.582 28.738 0.014 0.000 0.905 267 Q HN 0.716 nan 8.270 nan 0.000 0.420 268 A N -0.169 122.664 122.820 0.021 0.000 1.930 268 A HA -0.156 4.163 4.320 -0.000 0.000 0.217 268 A C 2.130 179.717 177.584 0.005 0.000 1.175 268 A CA 1.657 53.694 52.037 0.000 0.000 0.627 268 A CB -0.558 18.418 19.000 -0.039 0.000 0.815 268 A HN 0.518 nan 8.150 nan 0.000 0.443 269 M N -0.704 118.915 119.600 0.032 0.000 2.149 269 M HA -0.127 4.353 4.480 -0.000 0.000 0.261 269 M C 1.886 178.188 176.300 0.004 0.000 1.064 269 M CA 1.571 56.892 55.300 0.035 0.000 1.102 269 M CB -0.481 32.161 32.600 0.070 0.000 1.369 269 M HN 0.388 nan 8.290 nan 0.000 0.408 270 I N -0.373 120.194 120.570 -0.005 0.000 2.716 270 I HA -0.202 3.968 4.170 -0.000 0.000 0.259 270 I C 1.525 177.675 176.117 0.055 0.000 1.172 270 I CA 0.673 61.978 61.300 0.008 0.000 1.478 270 I CB -0.397 37.545 38.000 -0.096 0.000 1.104 270 I HN 0.242 nan 8.210 nan 0.000 0.439 271 D N 0.871 121.291 120.400 0.034 0.000 2.183 271 D HA -0.083 4.557 4.640 -0.000 0.000 0.205 271 D C 2.086 178.387 176.300 0.002 0.000 0.962 271 D CA 0.779 54.804 54.000 0.042 0.000 0.849 271 D CB -0.092 40.734 40.800 0.044 0.000 0.978 271 D HN 0.101 nan 8.370 nan 0.000 0.488 272 K N 1.131 121.514 120.400 -0.028 0.000 2.103 272 K HA 0.073 4.392 4.320 -0.000 0.000 0.204 272 K C 1.992 178.509 176.600 -0.139 0.000 1.052 272 K CA 0.616 56.859 56.287 -0.073 0.000 0.945 272 K CB -0.321 32.138 32.500 -0.069 0.000 0.722 272 K HN 0.050 nan 8.250 nan 0.000 0.443 273 A N 1.219 123.959 122.820 -0.134 0.000 1.930 273 A HA -0.144 4.176 4.320 -0.000 0.000 0.217 273 A C 2.046 179.464 177.584 -0.276 0.000 1.175 273 A CA 1.354 53.228 52.037 -0.273 0.000 0.627 273 A CB -0.305 18.549 19.000 -0.243 0.000 0.815 273 A HN 0.342 nan 8.150 nan 0.000 0.443 274 E N -0.540 119.638 120.200 -0.036 0.000 2.150 274 E HA -0.182 4.168 4.350 -0.000 0.000 0.193 274 E C 2.219 178.830 176.600 0.018 0.000 0.985 274 E CA 0.919 57.381 56.400 0.103 0.000 0.814 274 E CB -0.096 29.723 29.700 0.198 0.000 0.752 274 E HN 0.704 nan 8.360 nan 0.000 0.466 275 Q N -0.316 119.452 119.800 -0.054 0.000 2.124 275 Q HA -0.167 4.173 4.340 -0.000 0.000 0.202 275 Q C 2.249 178.191 176.000 -0.096 0.000 0.977 275 Q CA 1.721 57.489 55.803 -0.057 0.000 0.850 275 Q CB 0.005 28.700 28.738 -0.073 0.000 0.901 275 Q HN 0.439 nan 8.270 nan 0.000 0.429 276 M N -3.042 116.412 119.600 -0.244 0.000 2.657 276 M HA 0.058 4.538 4.480 -0.000 0.000 0.262 276 M C 0.951 177.148 176.300 -0.172 0.000 1.213 276 M CA 1.169 56.265 55.300 -0.339 0.000 1.182 276 M CB -0.078 32.133 32.600 -0.649 0.000 1.303 276 M HN 0.036 nan 8.290 nan 0.000 0.501 277 Y N 1.978 122.211 120.300 -0.111 0.000 2.457 277 Y HA 0.502 5.051 4.550 -0.001 0.000 0.263 277 Y C 1.250 177.202 175.900 0.086 0.000 1.164 277 Y CA -0.174 57.849 58.100 -0.128 0.000 1.274 277 Y CB 0.497 38.671 38.460 -0.477 0.000 1.097 277 Y HN 0.536 nan 8.280 nan 0.000 0.523 278 G N 1.510 110.480 108.800 0.283 0.000 2.525 278 G HA2 -0.212 3.748 3.960 -0.000 0.000 0.685 278 G HA3 -0.212 3.748 3.960 -0.000 0.000 0.685 278 G C -1.148 174.027 174.900 0.458 0.000 1.290 278 G CA -0.913 44.394 45.100 0.345 0.000 0.915 278 G HN 0.167 nan 8.290 nan 0.000 0.548 279 K N -0.719 119.877 120.400 0.326 0.000 2.355 279 K HA 0.400 4.720 4.320 -0.000 0.000 0.270 279 K C -0.096 176.692 176.600 0.314 0.000 1.003 279 K CA -0.532 55.936 56.287 0.302 0.000 0.957 279 K CB 0.366 32.957 32.500 0.152 0.000 0.939 279 K HN 0.783 nan 8.250 nan 0.000 0.482 280 Y N 4.428 124.848 120.300 0.200 0.000 2.594 280 Y HA 0.124 4.673 4.550 -0.001 0.000 0.344 280 Y C 0.197 176.027 175.900 -0.116 0.000 1.185 280 Y CA -0.036 58.033 58.100 -0.051 0.000 1.565 280 Y CB 0.123 38.665 38.460 0.136 0.000 1.415 280 Y HN 0.641 nan 8.280 nan 0.000 0.488 281 R N 2.950 123.103 120.500 -0.579 0.000 2.366 281 R HA -0.133 4.207 4.340 -0.000 0.000 0.201 281 R C -0.080 175.783 176.300 -0.728 0.000 1.057 281 R CA 1.026 56.767 56.100 -0.600 0.000 1.086 281 R CB -0.124 29.742 30.300 -0.724 0.000 0.914 281 R HN 0.738 nan 8.270 nan 0.000 0.476 282 W N -1.110 119.822 121.300 -0.614 0.000 3.127 282 W HA 0.344 5.004 4.660 -0.000 0.000 0.344 282 W C 1.523 178.011 176.519 -0.051 0.000 1.151 282 W CA 0.272 57.404 57.345 -0.355 0.000 1.765 282 W CB 0.459 29.625 29.460 -0.490 0.000 1.085 282 W HN 0.201 nan 8.180 nan 0.000 0.596 283 G N 1.338 110.301 108.800 0.271 0.000 4.655 283 G HA2 -0.383 3.577 3.960 -0.000 0.000 0.220 283 G HA3 -0.383 3.577 3.960 -0.000 0.000 0.220 283 G C 0.597 175.753 174.900 0.427 0.000 1.403 283 G CA 0.683 45.980 45.100 0.327 0.000 0.931 283 G HN 0.335 nan 8.290 nan 0.000 0.654 284 R N -0.874 119.886 120.500 0.434 0.000 2.832 284 R HA 0.711 5.050 4.340 -0.000 0.000 0.271 284 R C -1.516 175.076 176.300 0.486 0.000 0.996 284 R CA -0.921 55.391 56.100 0.353 0.000 0.977 284 R CB 1.455 31.895 30.300 0.234 0.000 1.168 284 R HN 0.694 nan 8.270 nan 0.000 0.482 285 Y N 2.231 122.642 120.300 0.185 0.000 2.317 285 Y HA 0.405 4.954 4.550 -0.001 0.000 0.325 285 Y C -1.748 174.218 175.900 0.109 0.000 1.066 285 Y CA -0.915 57.274 58.100 0.148 0.000 1.203 285 Y CB 1.345 39.764 38.460 -0.069 0.000 1.127 285 Y HN 0.756 nan 8.280 nan 0.000 0.451 286 D N 3.881 124.049 120.400 -0.387 0.000 2.467 286 D HA 0.557 5.197 4.640 -0.000 0.000 0.245 286 D C -1.421 174.642 176.300 -0.394 0.000 1.038 286 D CA -0.381 53.487 54.000 -0.220 0.000 1.038 286 D CB 2.367 43.272 40.800 0.174 0.000 1.278 286 D HN 0.386 nan 8.370 nan 0.000 0.564 287 L N 0.896 122.016 121.223 -0.172 0.000 2.385 287 L HA 0.416 4.756 4.340 -0.000 0.000 0.273 287 L C -1.116 175.708 176.870 -0.078 0.000 0.990 287 L CA -0.807 53.911 54.840 -0.204 0.000 0.821 287 L CB 1.670 43.573 42.059 -0.260 0.000 1.279 287 L HN 0.200 nan 8.230 nan 0.000 0.412 288 L N 4.579 125.695 121.223 -0.177 0.000 2.342 288 L HA 0.635 4.974 4.340 -0.000 0.000 0.276 288 L C -1.000 175.691 176.870 -0.298 0.000 0.997 288 L CA -0.475 54.227 54.840 -0.230 0.000 0.838 288 L CB 1.243 42.980 42.059 -0.538 0.000 1.224 288 L HN 0.407 nan 8.230 nan 0.000 0.416 289 M N 5.528 125.018 119.600 -0.185 0.000 2.162 289 M HA 0.324 4.804 4.480 -0.000 0.000 0.356 289 M C -0.499 175.625 176.300 -0.292 0.000 1.303 289 M CA -0.240 54.939 55.300 -0.202 0.000 1.116 289 M CB 0.830 33.365 32.600 -0.109 0.000 1.632 289 M HN 0.475 nan 8.290 nan 0.000 0.469 290 L N 6.132 127.090 121.223 -0.442 0.000 2.431 290 L HA 0.596 4.936 4.340 -0.000 0.000 0.260 290 L C -1.759 174.862 176.870 -0.414 0.000 1.098 290 L CA -1.393 53.064 54.840 -0.639 0.000 0.800 290 L CB 0.057 41.526 42.059 -0.984 0.000 1.210 290 L HN 0.483 nan 8.230 nan 0.000 0.465 291 P HA 0.168 nan 4.420 nan 0.000 0.274 291 P C -2.326 174.946 177.300 -0.047 0.000 1.246 291 P CA -1.520 61.458 63.100 -0.203 0.000 0.795 291 P CB 0.005 31.557 31.700 -0.247 0.000 1.006 292 P HA -0.178 nan 4.420 nan 0.000 0.222 292 P C 1.615 178.968 177.300 0.090 0.000 1.139 292 P CA 1.566 64.699 63.100 0.055 0.000 0.790 292 P CB -0.182 31.540 31.700 0.035 0.000 0.757 293 S N -1.960 113.819 115.700 0.131 0.000 2.496 293 S HA -0.031 4.438 4.470 -0.000 0.000 0.224 293 S C 0.640 175.418 174.600 0.297 0.000 0.996 293 S CA -0.466 57.862 58.200 0.213 0.000 0.927 293 S CB -0.890 62.456 63.200 0.244 0.000 0.774 293 S HN -0.044 nan 8.310 nan 0.000 0.524 294 F N 4.791 124.787 119.950 0.077 0.000 2.549 294 F HA 0.178 4.704 4.527 -0.000 0.000 0.400 294 F C -1.163 174.685 175.800 0.080 0.000 1.011 294 F CA -2.189 55.850 58.000 0.065 0.000 1.148 294 F CB 0.769 39.697 39.000 -0.119 0.000 0.993 294 F HN 0.142 nan 8.300 nan 0.000 0.540 295 P HA -0.167 nan 4.420 nan 0.000 0.218 295 P C 0.330 177.280 177.300 -0.583 0.000 1.149 295 P CA 1.463 64.347 63.100 -0.360 0.000 0.817 295 P CB 0.107 31.632 31.700 -0.292 0.000 0.785 296 F N -0.528 118.766 119.950 -1.093 0.000 2.456 296 F HA 0.565 5.092 4.527 -0.000 0.000 0.364 296 F C 2.304 177.864 175.800 -0.401 0.000 1.092 296 F CA -0.145 57.418 58.000 -0.727 0.000 1.125 296 F CB -0.687 37.919 39.000 -0.657 0.000 1.543 296 F HN -0.270 nan 8.300 nan 0.000 0.504 297 G N -1.401 107.494 108.800 0.158 0.000 2.762 297 G HA2 0.468 4.428 3.960 -0.000 0.000 0.209 297 G HA3 0.468 4.428 3.960 -0.000 0.000 0.209 297 G C 0.103 175.260 174.900 0.428 0.000 1.134 297 G CA 0.394 45.635 45.100 0.234 0.000 0.781 297 G HN 0.980 nan 8.290 nan 0.000 0.528 298 G N -0.575 108.557 108.800 0.554 0.000 2.384 298 G HA2 0.399 4.359 3.960 -0.000 0.000 0.300 298 G HA3 0.399 4.359 3.960 -0.000 0.000 0.300 298 G C -1.689 173.442 174.900 0.385 0.000 1.582 298 G CA -0.695 44.737 45.100 0.554 0.000 0.875 298 G HN 0.059 nan 8.290 nan 0.000 0.628 299 M N 1.940 121.697 119.600 0.262 0.000 2.364 299 M HA 0.359 4.839 4.480 -0.000 0.000 0.334 299 M C 0.586 176.903 176.300 0.028 0.000 1.107 299 M CA -1.277 54.056 55.300 0.055 0.000 0.988 299 M CB 1.596 34.117 32.600 -0.131 0.000 1.673 299 M HN 0.711 nan 8.290 nan 0.000 0.441 300 E N 2.841 123.038 120.200 -0.005 0.000 2.515 300 E HA 0.069 4.419 4.350 -0.000 0.000 0.315 300 E C -1.055 175.471 176.600 -0.123 0.000 1.523 300 E CA -0.015 56.381 56.400 -0.007 0.000 1.704 300 E CB -1.075 28.602 29.700 -0.039 0.000 1.395 300 E HN 0.567 nan 8.360 nan 0.000 0.490 301 N N 3.882 122.507 118.700 -0.124 0.000 2.442 301 N HA 0.106 4.846 4.740 -0.000 0.000 0.265 301 N C -2.364 173.047 175.510 -0.165 0.000 1.138 301 N CA -1.479 51.458 53.050 -0.189 0.000 0.956 301 N CB 0.726 39.096 38.487 -0.196 0.000 1.067 301 N HN 0.247 nan 8.380 nan 0.000 0.474 302 P HA -0.162 nan 4.420 nan 0.000 0.259 302 P C -0.228 176.968 177.300 -0.173 0.000 1.163 302 P CA 0.673 63.482 63.100 -0.485 0.000 0.760 302 P CB 0.522 31.755 31.700 -0.780 0.000 0.762 303 R N -0.577 119.896 120.500 -0.045 0.000 3.862 303 R HA -0.167 4.173 4.340 -0.000 0.000 0.470 303 R C 0.272 176.596 176.300 0.040 0.000 0.879 303 R CA 1.098 57.266 56.100 0.114 0.000 1.508 303 R CB -1.296 29.076 30.300 0.121 0.000 2.170 303 R HN 0.441 nan 8.270 nan 0.000 0.496 304 L N 1.371 122.597 121.223 0.004 0.000 2.595 304 L HA 0.349 4.689 4.340 -0.000 0.000 0.259 304 L C -0.923 176.000 176.870 0.088 0.000 1.033 304 L CA -0.019 54.818 54.840 -0.004 0.000 0.901 304 L CB 1.892 43.962 42.059 0.019 0.000 1.151 304 L HN 0.005 nan 8.230 nan 0.000 0.453 305 S N 3.901 119.591 115.700 -0.016 0.000 2.523 305 S HA 0.502 4.971 4.470 -0.000 0.000 0.275 305 S C -0.329 174.354 174.600 0.138 0.000 1.281 305 S CA -0.226 58.032 58.200 0.097 0.000 1.050 305 S CB 0.380 63.636 63.200 0.093 0.000 0.937 305 S HN 0.312 nan 8.310 nan 0.000 0.492 306 F N 3.996 123.824 119.950 -0.204 0.000 2.413 306 F HA 0.374 4.901 4.527 -0.001 0.000 0.359 306 F C 0.366 175.908 175.800 -0.429 0.000 1.122 306 F CA -1.099 56.656 58.000 -0.408 0.000 1.160 306 F CB 0.049 38.677 39.000 -0.620 0.000 1.146 306 F HN 0.268 nan 8.300 nan 0.000 0.514 307 I N 2.001 122.416 120.570 -0.259 0.000 2.493 307 I HA 0.198 4.368 4.170 -0.000 0.000 0.298 307 I C 0.522 176.555 176.117 -0.140 0.000 0.998 307 I CA -0.604 60.608 61.300 -0.147 0.000 1.137 307 I CB 1.745 39.636 38.000 -0.182 0.000 1.310 307 I HN 0.335 nan 8.210 nan 0.000 0.445 308 T N 6.314 120.924 114.554 0.094 0.000 2.913 308 T HA 0.261 4.610 4.350 -0.000 0.000 0.297 308 T C -1.330 173.428 174.700 0.096 0.000 1.029 308 T CA -1.450 60.747 62.100 0.161 0.000 1.104 308 T CB 1.084 70.119 68.868 0.278 0.000 0.964 308 T HN 0.465 nan 8.240 nan 0.000 0.532 309 P HA -0.033 nan 4.420 nan 0.000 0.229 309 P C 1.335 178.700 177.300 0.109 0.000 1.160 309 P CA 0.880 64.037 63.100 0.094 0.000 0.777 309 P CB -0.306 31.462 31.700 0.113 0.000 0.814 310 T N -2.181 112.433 114.554 0.101 0.000 3.025 310 T HA -0.057 4.293 4.350 -0.000 0.000 0.270 310 T C 1.580 176.339 174.700 0.098 0.000 1.126 310 T CA 1.150 63.303 62.100 0.087 0.000 1.105 310 T CB -1.269 67.634 68.868 0.058 0.000 0.884 310 T HN 0.094 nan 8.240 nan 0.000 0.522 311 V N -1.774 118.223 119.914 0.138 0.000 3.660 311 V HA 0.428 4.548 4.120 -0.000 0.000 0.276 311 V C 0.931 177.121 176.094 0.160 0.000 1.317 311 V CA -0.523 61.878 62.300 0.168 0.000 1.097 311 V CB -0.360 31.610 31.823 0.245 0.000 0.863 311 V HN 0.278 nan 8.190 nan 0.000 0.438 312 V N 2.231 122.220 119.914 0.125 0.000 2.287 312 V HA 0.562 4.682 4.120 -0.000 0.000 0.246 312 V C 1.542 177.627 176.094 -0.015 0.000 1.165 312 V CA 0.851 63.149 62.300 -0.003 0.000 1.088 312 V CB -0.208 31.605 31.823 -0.017 0.000 1.242 312 V HN 0.500 nan 8.190 nan 0.000 0.497 313 A N 3.137 125.938 122.820 -0.032 0.000 1.997 313 A HA 0.507 4.827 4.320 -0.000 0.000 0.212 313 A C 1.980 179.538 177.584 -0.044 0.000 1.178 313 A CA 1.044 53.066 52.037 -0.025 0.000 0.698 313 A CB -0.013 18.974 19.000 -0.021 0.000 0.842 313 A HN 1.437 nan 8.150 nan 0.000 0.458 314 G N -0.282 108.476 108.800 -0.070 0.000 2.231 314 G HA2 -0.216 3.743 3.960 -0.000 0.000 0.206 314 G HA3 -0.216 3.743 3.960 -0.000 0.000 0.206 314 G C 0.192 175.063 174.900 -0.048 0.000 0.996 314 G CA 0.922 45.984 45.100 -0.063 0.000 0.645 314 G HN 0.834 nan 8.290 nan 0.000 0.498 315 D N -0.663 119.715 120.400 -0.038 0.000 2.525 315 D HA 0.285 4.925 4.640 -0.000 0.000 0.231 315 D C 1.073 177.380 176.300 0.012 0.000 1.216 315 D CA 0.347 54.343 54.000 -0.007 0.000 0.813 315 D CB -0.081 40.720 40.800 0.002 0.000 1.108 315 D HN 0.381 nan 8.370 nan 0.000 0.524 316 K N -0.128 120.264 120.400 -0.013 0.000 3.341 316 K HA -0.232 4.087 4.320 -0.000 0.000 0.305 316 K C 1.128 177.731 176.600 0.006 0.000 1.270 316 K CA 0.937 57.236 56.287 0.020 0.000 0.897 316 K CB -2.201 30.371 32.500 0.119 0.000 1.264 316 K HN 0.396 nan 8.250 nan 0.000 0.468 317 S N 0.191 115.887 115.700 -0.006 0.000 2.371 317 S HA -0.053 4.416 4.470 -0.000 0.000 0.224 317 S C 1.395 175.974 174.600 -0.036 0.000 1.029 317 S CA 0.582 58.765 58.200 -0.029 0.000 0.978 317 S CB 0.049 63.197 63.200 -0.087 0.000 0.833 317 S HN 0.209 nan 8.310 nan 0.000 0.466 318 L N 1.967 123.187 121.223 -0.003 0.000 2.627 318 L HA 0.349 4.688 4.340 -0.000 0.000 0.232 318 L C 1.808 178.743 176.870 0.110 0.000 1.150 318 L CA 0.001 54.866 54.840 0.041 0.000 0.917 318 L CB -1.382 40.708 42.059 0.051 0.000 1.104 318 L HN 0.215 nan 8.230 nan 0.000 0.445 319 V N 1.650 121.627 119.914 0.104 0.000 2.867 319 V HA -0.226 3.894 4.120 -0.000 0.000 0.260 319 V C 2.289 178.464 176.094 0.135 0.000 1.099 319 V CA 1.339 63.745 62.300 0.178 0.000 1.122 319 V CB -0.642 31.271 31.823 0.150 0.000 0.708 319 V HN 0.679 nan 8.190 nan 0.000 0.490 320 N N 0.939 119.679 118.700 0.066 0.000 2.430 320 N HA -0.203 4.537 4.740 -0.000 0.000 0.186 320 N C 1.827 177.428 175.510 0.152 0.000 1.032 320 N CA 1.493 54.591 53.050 0.080 0.000 0.893 320 N CB -0.449 38.068 38.487 0.050 0.000 0.957 320 N HN 0.504 nan 8.380 nan 0.000 0.442 321 L N 0.989 122.306 121.223 0.158 0.000 2.012 321 L HA -0.075 4.265 4.340 -0.000 0.000 0.210 321 L C 2.074 179.083 176.870 0.231 0.000 1.073 321 L CA 1.510 56.470 54.840 0.200 0.000 0.748 321 L CB -0.471 41.691 42.059 0.171 0.000 0.891 321 L HN -0.019 nan 8.230 nan 0.000 0.431 322 I N 0.325 121.001 120.570 0.178 0.000 2.493 322 I HA -0.173 3.996 4.170 -0.000 0.000 0.254 322 I C 2.619 178.846 176.117 0.182 0.000 1.160 322 I CA 1.269 62.660 61.300 0.152 0.000 1.445 322 I CB -1.977 36.088 38.000 0.108 0.000 1.086 322 I HN 0.434 nan 8.210 nan 0.000 0.433 323 A N 0.117 123.051 122.820 0.190 0.000 1.968 323 A HA -0.231 4.089 4.320 -0.000 0.000 0.217 323 A C 2.246 179.936 177.584 0.177 0.000 1.169 323 A CA 1.422 53.557 52.037 0.164 0.000 0.638 323 A CB -0.874 18.223 19.000 0.162 0.000 0.812 323 A HN 0.476 nan 8.150 nan 0.000 0.446 324 H N 0.029 119.166 119.070 0.112 0.000 2.423 324 H HA -0.005 4.551 4.556 -0.000 0.000 0.297 324 H C 1.673 177.066 175.328 0.108 0.000 1.075 324 H CA 1.747 57.857 56.048 0.104 0.000 1.342 324 H CB 0.165 30.004 29.762 0.129 0.000 1.395 324 H HN 0.390 nan 8.280 nan 0.000 0.530 325 E N 0.072 120.316 120.200 0.073 0.000 2.230 325 E HA -0.058 4.292 4.350 -0.000 0.000 0.192 325 E C 2.238 178.903 176.600 0.109 0.000 0.987 325 E CA 0.173 56.638 56.400 0.109 0.000 0.841 325 E CB -0.043 29.801 29.700 0.241 0.000 0.783 325 E HN 0.490 nan 8.360 nan 0.000 0.481 326 L N 0.522 121.763 121.223 0.030 0.000 2.376 326 L HA -0.005 4.335 4.340 -0.000 0.000 0.219 326 L C 2.053 179.063 176.870 0.232 0.000 1.133 326 L CA 0.633 55.417 54.840 -0.093 0.000 0.816 326 L CB -0.123 41.814 42.059 -0.203 0.000 0.933 326 L HN 0.009 nan 8.230 nan 0.000 0.449 327 A N -1.310 121.608 122.820 0.163 0.000 1.970 327 A HA -0.199 4.121 4.320 -0.000 0.000 0.216 327 A C 1.942 179.676 177.584 0.250 0.000 1.170 327 A CA 0.818 52.993 52.037 0.229 0.000 0.645 327 A CB -0.615 18.436 19.000 0.086 0.000 0.816 327 A HN 0.475 nan 8.150 nan 0.000 0.447 328 H N 0.686 119.824 119.070 0.114 0.000 2.387 328 H HA -0.083 4.473 4.556 -0.001 0.000 0.299 328 H C 2.341 177.671 175.328 0.003 0.000 1.099 328 H CA 1.470 57.542 56.048 0.040 0.000 1.315 328 H CB -0.402 29.344 29.762 -0.027 0.000 1.380 328 H HN 0.474 nan 8.280 nan 0.000 0.513 329 S N -0.329 115.439 115.700 0.113 0.000 2.444 329 S HA -0.211 4.259 4.470 -0.000 0.000 0.244 329 S C 1.698 176.098 174.600 -0.333 0.000 1.025 329 S CA 1.126 59.222 58.200 -0.174 0.000 0.995 329 S CB -0.147 62.864 63.200 -0.315 0.000 0.781 329 S HN 0.571 nan 8.310 nan 0.000 0.496 330 W N 0.790 121.959 121.300 -0.219 0.000 3.033 330 W HA 0.241 4.901 4.660 -0.001 0.000 0.250 330 W C 0.294 176.345 176.519 -0.781 0.000 1.105 330 W CA -0.049 56.860 57.345 -0.727 0.000 1.655 330 W CB -0.356 28.379 29.460 -1.207 0.000 1.001 330 W HN 0.144 nan 8.180 nan 0.000 0.653 331 S N 0.065 115.700 115.700 -0.108 0.000 2.461 331 S HA 0.599 5.069 4.470 -0.000 0.000 0.322 331 S C 0.498 175.221 174.600 0.206 0.000 1.063 331 S CA 0.211 58.459 58.200 0.081 0.000 1.120 331 S CB 1.228 64.615 63.200 0.311 0.000 0.968 331 S HN 0.461 nan 8.310 nan 0.000 0.467 332 G N 2.992 111.851 108.800 0.098 0.000 2.179 332 G HA2 -0.225 3.735 3.960 -0.000 0.000 0.220 332 G HA3 -0.225 3.735 3.960 -0.000 0.000 0.220 332 G C 0.319 175.247 174.900 0.047 0.000 0.990 332 G CA 0.211 45.385 45.100 0.124 0.000 0.646 332 G HN 0.634 nan 8.290 nan 0.000 0.517 333 N N -1.307 117.383 118.700 -0.016 0.000 2.441 333 N HA 0.297 5.037 4.740 -0.000 0.000 0.257 333 N C 1.635 177.208 175.510 0.105 0.000 1.058 333 N CA 0.484 53.498 53.050 -0.059 0.000 0.853 333 N CB -0.079 38.288 38.487 -0.200 0.000 1.694 333 N HN 0.195 nan 8.380 nan 0.000 0.542 334 L N 0.479 121.681 121.223 -0.036 0.000 2.221 334 L HA 0.363 4.702 4.340 -0.000 0.000 0.202 334 L C -0.538 176.145 176.870 -0.313 0.000 1.074 334 L CA 0.857 55.516 54.840 -0.301 0.000 0.795 334 L CB 0.425 42.128 42.059 -0.593 0.000 0.960 334 L HN -0.170 nan 8.230 nan 0.000 0.458 335 V N 0.681 120.449 119.914 -0.243 0.000 2.409 335 V HA 0.359 4.479 4.120 -0.000 0.000 0.291 335 V C -0.340 175.672 176.094 -0.136 0.000 1.020 335 V CA -0.562 61.618 62.300 -0.200 0.000 0.848 335 V CB 1.251 32.897 31.823 -0.296 0.000 0.990 335 V HN 0.359 nan 8.190 nan 0.000 0.430 336 T N 0.861 115.354 114.554 -0.102 0.000 2.887 336 T HA 0.497 4.847 4.350 -0.000 0.000 0.288 336 T C -0.298 174.329 174.700 -0.121 0.000 1.021 336 T CA -1.003 61.055 62.100 -0.069 0.000 1.000 336 T CB 1.324 70.189 68.868 -0.005 0.000 1.034 336 T HN 0.768 nan 8.240 nan 0.000 0.467 337 N N 1.180 119.790 118.700 -0.150 0.000 2.458 337 N HA 0.065 4.805 4.740 -0.000 0.000 0.258 337 N C 1.068 176.425 175.510 -0.256 0.000 1.219 337 N CA -0.502 52.422 53.050 -0.211 0.000 0.902 337 N CB 0.689 39.042 38.487 -0.223 0.000 1.076 337 N HN 0.869 nan 8.380 nan 0.000 0.455 338 E N 0.945 121.028 120.200 -0.196 0.000 2.152 338 E HA -0.116 4.234 4.350 -0.000 0.000 0.192 338 E C 0.073 176.483 176.600 -0.316 0.000 0.983 338 E CA 0.660 56.936 56.400 -0.207 0.000 0.818 338 E CB -0.030 29.614 29.700 -0.092 0.000 0.758 338 E HN 0.679 nan 8.360 nan 0.000 0.467 339 S N -1.170 114.349 115.700 -0.301 0.000 2.745 339 S HA 0.294 4.764 4.470 -0.000 0.000 0.306 339 S C -0.436 173.876 174.600 -0.481 0.000 1.137 339 S CA -1.044 56.928 58.200 -0.378 0.000 0.900 339 S CB 0.115 63.271 63.200 -0.073 0.000 1.176 339 S HN 0.357 nan 8.310 nan 0.000 0.520 340 W N 0.390 121.650 121.300 -0.068 0.000 3.345 340 W HA 0.331 4.990 4.660 -0.000 0.000 0.282 340 W C 1.998 178.478 176.519 -0.065 0.000 1.302 340 W CA -0.732 56.529 57.345 -0.139 0.000 1.724 340 W CB 0.155 29.445 29.460 -0.284 0.000 1.104 340 W HN 0.408 nan 8.180 nan 0.000 0.694 341 R N 0.005 120.614 120.500 0.181 0.000 2.312 341 R HA 0.028 4.367 4.340 -0.000 0.000 0.205 341 R C 0.178 176.710 176.300 0.386 0.000 0.904 341 R CA 0.646 56.857 56.100 0.186 0.000 1.052 341 R CB 0.095 30.437 30.300 0.070 0.000 1.014 341 R HN 0.253 nan 8.270 nan 0.000 0.503 342 D N 0.878 121.433 120.400 0.259 0.000 2.402 342 D HA 0.002 4.641 4.640 -0.000 0.000 0.216 342 D C 1.501 177.770 176.300 -0.052 0.000 1.128 342 D CA -0.135 53.958 54.000 0.155 0.000 0.833 342 D CB 0.592 41.401 40.800 0.015 0.000 0.971 342 D HN 0.021 nan 8.370 nan 0.000 0.503 343 L N 1.602 122.889 121.223 0.106 0.000 2.261 343 L HA -0.106 4.233 4.340 -0.000 0.000 0.216 343 L C 1.943 178.818 176.870 0.007 0.000 1.114 343 L CA 1.331 56.210 54.840 0.065 0.000 0.777 343 L CB -0.577 41.537 42.059 0.093 0.000 0.910 343 L HN 0.382 nan 8.230 nan 0.000 0.440 344 W N -0.541 120.748 121.300 -0.018 0.000 2.595 344 W HA -0.099 4.561 4.660 -0.001 0.000 0.257 344 W C 1.558 178.087 176.519 0.016 0.000 1.267 344 W CA -0.028 57.304 57.345 -0.023 0.000 1.300 344 W CB -1.111 28.360 29.460 0.018 0.000 1.120 344 W HN 0.102 nan 8.180 nan 0.000 0.618 345 L N 1.042 121.677 121.223 -0.979 0.000 2.478 345 L HA -0.094 4.246 4.340 -0.000 0.000 0.223 345 L C 2.004 178.651 176.870 -0.370 0.000 1.140 345 L CA 0.893 55.063 54.840 -1.117 0.000 0.842 345 L CB -0.605 40.751 42.059 -1.172 0.000 0.953 345 L HN 0.009 nan 8.230 nan 0.000 0.452 346 N N -0.740 117.849 118.700 -0.185 0.000 2.324 346 N HA -0.093 4.647 4.740 -0.000 0.000 0.192 346 N C 1.740 177.329 175.510 0.132 0.000 1.046 346 N CA 0.700 53.768 53.050 0.030 0.000 0.898 346 N CB 0.227 38.739 38.487 0.041 0.000 1.079 346 N HN -0.011 nan 8.380 nan 0.000 0.456 347 E N 0.215 120.417 120.200 0.004 0.000 2.106 347 E HA -0.019 4.331 4.350 -0.000 0.000 0.192 347 E C 1.897 178.542 176.600 0.075 0.000 0.984 347 E CA 0.955 57.264 56.400 -0.152 0.000 0.806 347 E CB -0.915 28.168 29.700 -1.029 0.000 0.750 347 E HN 0.434 nan 8.360 nan 0.000 0.458 348 G N 1.017 109.919 108.800 0.170 0.000 2.639 348 G HA2 -0.285 3.674 3.960 -0.000 0.000 0.216 348 G HA3 -0.285 3.674 3.960 -0.000 0.000 0.216 348 G C 1.428 176.494 174.900 0.277 0.000 1.267 348 G CA 0.910 46.184 45.100 0.291 0.000 0.801 348 G HN 0.188 nan 8.290 nan 0.000 0.592 349 F N 1.253 121.271 119.950 0.114 0.000 2.161 349 F HA -0.065 4.462 4.527 -0.001 0.000 0.300 349 F C 3.193 179.140 175.800 0.245 0.000 1.089 349 F CA 1.743 59.841 58.000 0.163 0.000 1.282 349 F CB -0.634 38.450 39.000 0.139 0.000 1.010 349 F HN 0.073 nan 8.300 nan 0.000 0.485 350 T N -1.406 113.378 114.554 0.384 0.000 2.867 350 T HA -0.142 4.207 4.350 -0.000 0.000 0.268 350 T C 2.247 177.142 174.700 0.325 0.000 1.057 350 T CA 1.546 63.775 62.100 0.214 0.000 1.136 350 T CB -0.274 68.508 68.868 -0.143 0.000 0.874 350 T HN 0.167 nan 8.240 nan 0.000 0.466 351 S N 0.128 116.057 115.700 0.383 0.000 2.371 351 S HA -0.018 4.451 4.470 -0.000 0.000 0.224 351 S C 1.653 176.415 174.600 0.270 0.000 1.029 351 S CA 0.616 59.031 58.200 0.358 0.000 0.978 351 S CB -0.383 63.037 63.200 0.367 0.000 0.833 351 S HN 0.628 nan 8.310 nan 0.000 0.466 352 Y N 2.441 122.833 120.300 0.152 0.000 2.114 352 Y HA -0.182 4.367 4.550 -0.001 0.000 0.284 352 Y C 2.203 178.205 175.900 0.170 0.000 1.143 352 Y CA 1.465 59.628 58.100 0.104 0.000 1.135 352 Y CB -0.515 37.936 38.460 -0.014 0.000 0.980 352 Y HN 0.009 nan 8.280 nan 0.000 0.499 353 V N 1.207 121.282 119.914 0.268 0.000 2.490 353 V HA -0.287 3.833 4.120 -0.000 0.000 0.250 353 V C 2.339 178.543 176.094 0.185 0.000 1.061 353 V CA 2.113 64.596 62.300 0.306 0.000 1.064 353 V CB -0.790 31.239 31.823 0.342 0.000 0.670 353 V HN 0.549 nan 8.190 nan 0.000 0.461 354 E N 0.794 121.105 120.200 0.184 0.000 2.038 354 E HA -0.312 4.038 4.350 -0.000 0.000 0.195 354 E C 2.202 178.854 176.600 0.086 0.000 1.000 354 E CA 1.898 58.402 56.400 0.173 0.000 0.803 354 E CB -0.322 29.538 29.700 0.266 0.000 0.750 354 E HN 0.704 nan 8.360 nan 0.000 0.448 355 N N -0.114 118.601 118.700 0.025 0.000 2.084 355 N HA -0.174 4.566 4.740 -0.000 0.000 0.190 355 N C 1.996 177.468 175.510 -0.063 0.000 1.030 355 N CA 0.828 53.858 53.050 -0.034 0.000 0.849 355 N CB 0.019 38.460 38.487 -0.077 0.000 1.012 355 N HN 0.077 nan 8.380 nan 0.000 0.423 356 R N 1.164 121.591 120.500 -0.121 0.000 2.096 356 R HA -0.072 4.268 4.340 -0.000 0.000 0.240 356 R C 2.299 178.561 176.300 -0.064 0.000 1.139 356 R CA 0.739 56.770 56.100 -0.116 0.000 0.952 356 R CB -1.141 29.097 30.300 -0.104 0.000 0.854 356 R HN 0.436 nan 8.270 nan 0.000 0.436 357 I N 0.660 121.215 120.570 -0.025 0.000 2.423 357 I HA -0.272 3.898 4.170 -0.000 0.000 0.254 357 I C 2.106 178.264 176.117 0.069 0.000 1.151 357 I CA 0.964 62.264 61.300 -0.000 0.000 1.421 357 I CB -0.145 37.879 38.000 0.039 0.000 1.079 357 I HN 0.077 nan 8.210 nan 0.000 0.431 358 M N -0.508 119.137 119.600 0.075 0.000 2.236 358 M HA -0.131 4.349 4.480 -0.000 0.000 0.266 358 M C 2.148 178.525 176.300 0.128 0.000 1.070 358 M CA 1.403 56.782 55.300 0.131 0.000 1.137 358 M CB -1.069 31.548 32.600 0.028 0.000 1.378 358 M HN 0.255 nan 8.290 nan 0.000 0.426 359 E N 0.321 120.543 120.200 0.036 0.000 2.072 359 E HA -0.104 4.246 4.350 -0.000 0.000 0.191 359 E C 1.987 178.596 176.600 0.016 0.000 0.985 359 E CA 1.180 57.587 56.400 0.012 0.000 0.801 359 E CB 0.195 29.876 29.700 -0.032 0.000 0.750 359 E HN 0.413 nan 8.360 nan 0.000 0.452 360 A N 0.645 123.462 122.820 -0.005 0.000 1.898 360 A HA -0.127 4.193 4.320 -0.000 0.000 0.216 360 A C 2.318 179.886 177.584 -0.028 0.000 1.181 360 A CA 1.699 53.718 52.037 -0.030 0.000 0.620 360 A CB -0.534 18.428 19.000 -0.064 0.000 0.819 360 A HN 0.310 nan 8.150 nan 0.000 0.442 361 V N -5.184 114.732 119.914 0.003 0.000 2.825 361 V HA 0.189 4.308 4.120 -0.000 0.000 0.246 361 V C 1.868 177.810 176.094 -0.253 0.000 1.068 361 V CA 1.216 63.447 62.300 -0.116 0.000 1.088 361 V CB -0.646 31.105 31.823 -0.121 0.000 0.733 361 V HN 0.307 nan 8.190 nan 0.000 0.468 362 F N 1.910 121.849 119.950 -0.019 0.000 2.720 362 F HA 0.731 5.258 4.527 -0.000 0.000 0.301 362 F C 1.378 177.154 175.800 -0.039 0.000 1.103 362 F CA 0.501 58.488 58.000 -0.022 0.000 1.291 362 F CB 0.483 39.472 39.000 -0.018 0.000 1.086 362 F HN 0.523 nan 8.300 nan 0.000 0.592 363 G N 0.366 109.231 108.800 0.107 0.000 2.675 363 G HA2 -0.169 3.791 3.960 -0.000 0.000 0.686 363 G HA3 -0.169 3.791 3.960 -0.000 0.000 0.686 363 G C 0.609 175.513 174.900 0.007 0.000 1.215 363 G CA -0.275 44.846 45.100 0.035 0.000 0.777 363 G HN 0.271 nan 8.290 nan 0.000 0.638 364 T N -2.230 112.311 114.554 -0.022 0.000 3.072 364 T HA 0.033 4.383 4.350 -0.000 0.000 0.266 364 T C 1.465 176.117 174.700 -0.080 0.000 1.127 364 T CA 2.184 64.256 62.100 -0.048 0.000 1.107 364 T CB -0.047 68.795 68.868 -0.043 0.000 0.910 364 T HN 0.402 nan 8.240 nan 0.000 0.513 365 D N 0.951 121.303 120.400 -0.080 0.000 2.162 365 D HA 0.064 4.704 4.640 -0.000 0.000 0.203 365 D C 2.260 178.451 176.300 -0.182 0.000 0.967 365 D CA 0.586 54.513 54.000 -0.122 0.000 0.840 365 D CB -0.245 40.501 40.800 -0.090 0.000 0.972 365 D HN 0.302 nan 8.370 nan 0.000 0.482 366 R N 1.475 121.886 120.500 -0.148 0.000 2.066 366 R HA 0.026 4.365 4.340 -0.000 0.000 0.232 366 R C 1.892 178.018 176.300 -0.291 0.000 1.131 366 R CA 1.823 57.773 56.100 -0.250 0.000 0.955 366 R CB -0.928 29.291 30.300 -0.136 0.000 0.851 366 R HN 0.035 nan 8.270 nan 0.000 0.432 367 A N 0.273 122.994 122.820 -0.165 0.000 1.892 367 A HA -0.162 4.158 4.320 -0.000 0.000 0.218 367 A C 2.243 179.740 177.584 -0.145 0.000 1.188 367 A CA 2.374 54.333 52.037 -0.130 0.000 0.631 367 A CB -1.034 17.919 19.000 -0.078 0.000 0.822 367 A HN 0.411 nan 8.150 nan 0.000 0.447 368 V N -3.169 116.646 119.914 -0.165 0.000 3.406 368 V HA 0.092 4.212 4.120 -0.000 0.000 0.263 368 V C 1.991 177.930 176.094 -0.259 0.000 1.172 368 V CA 1.662 63.866 62.300 -0.159 0.000 1.140 368 V CB -0.452 31.293 31.823 -0.131 0.000 0.784 368 V HN 0.530 nan 8.190 nan 0.000 0.467 369 M N 0.090 119.461 119.600 -0.383 0.000 2.394 369 M HA 0.007 4.486 4.480 -0.000 0.000 0.264 369 M C 1.877 177.952 176.300 -0.374 0.000 1.073 369 M CA 1.626 56.527 55.300 -0.665 0.000 1.111 369 M CB 0.023 32.232 32.600 -0.653 0.000 1.401 369 M HN 0.467 nan 8.290 nan 0.000 0.448 370 E N -0.465 119.604 120.200 -0.218 0.000 2.276 370 E HA -0.100 4.250 4.350 -0.000 0.000 0.193 370 E C 1.797 178.406 176.600 0.015 0.000 0.983 370 E CA 0.532 56.907 56.400 -0.041 0.000 0.861 370 E CB 0.201 29.859 29.700 -0.070 0.000 0.817 370 E HN 0.694 nan 8.360 nan 0.000 0.485 371 Q N 0.647 120.435 119.800 -0.019 0.000 2.230 371 Q HA 0.011 4.350 4.340 -0.000 0.000 0.202 371 Q C 2.069 178.111 176.000 0.069 0.000 0.963 371 Q CA 1.086 56.907 55.803 0.029 0.000 0.866 371 Q CB -0.075 28.674 28.738 0.018 0.000 0.931 371 Q HN 0.109 nan 8.270 nan 0.000 0.452 372 A N 1.580 124.438 122.820 0.063 0.000 1.825 372 A HA -0.150 4.169 4.320 -0.000 0.000 0.214 372 A C 2.049 179.783 177.584 0.250 0.000 1.206 372 A CA 1.026 53.158 52.037 0.158 0.000 0.609 372 A CB -0.901 18.198 19.000 0.166 0.000 0.851 372 A HN 0.291 nan 8.150 nan 0.000 0.445 373 L N 0.173 121.621 121.223 0.374 0.000 2.123 373 L HA -0.217 4.122 4.340 -0.000 0.000 0.217 373 L C 2.394 179.377 176.870 0.190 0.000 1.081 373 L CA 2.270 57.323 54.840 0.355 0.000 0.772 373 L CB -0.941 41.360 42.059 0.403 0.000 0.890 373 L HN 0.441 nan 8.230 nan 0.000 0.437 374 G N -2.424 106.465 108.800 0.149 0.000 2.408 374 G HA2 -0.064 3.895 3.960 -0.000 0.000 0.213 374 G HA3 -0.064 3.895 3.960 -0.000 0.000 0.213 374 G C 1.586 176.547 174.900 0.102 0.000 1.177 374 G CA 0.500 45.662 45.100 0.102 0.000 0.802 374 G HN 0.551 nan 8.290 nan 0.000 0.533 375 A N 0.550 123.439 122.820 0.115 0.000 2.024 375 A HA -0.105 4.215 4.320 -0.000 0.000 0.220 375 A C 2.259 179.900 177.584 0.096 0.000 1.164 375 A CA 1.883 53.986 52.037 0.111 0.000 0.643 375 A CB -0.398 18.672 19.000 0.116 0.000 0.806 375 A HN 0.473 nan 8.150 nan 0.000 0.451 376 Q N -0.617 119.244 119.800 0.101 0.000 2.170 376 Q HA -0.216 4.124 4.340 -0.000 0.000 0.203 376 Q C 1.226 177.254 176.000 0.047 0.000 0.976 376 Q CA 1.749 57.594 55.803 0.070 0.000 0.858 376 Q CB -0.208 28.570 28.738 0.067 0.000 0.907 376 Q HN 0.772 nan 8.270 nan 0.000 0.433 377 D N 0.115 120.549 120.400 0.056 0.000 2.183 377 D HA -0.094 4.545 4.640 -0.000 0.000 0.205 377 D C 1.600 177.930 176.300 0.051 0.000 0.962 377 D CA 0.251 54.278 54.000 0.046 0.000 0.849 377 D CB -0.002 40.824 40.800 0.044 0.000 0.978 377 D HN 0.028 nan 8.370 nan 0.000 0.488 378 L N 1.102 122.365 121.223 0.066 0.000 1.990 378 L HA -0.198 4.141 4.340 -0.000 0.000 0.213 378 L C 1.512 178.415 176.870 0.055 0.000 1.072 378 L CA 1.708 56.593 54.840 0.075 0.000 0.755 378 L CB -0.504 41.614 42.059 0.098 0.000 0.889 378 L HN -0.038 nan 8.230 nan 0.000 0.432 379 N N -0.008 118.719 118.700 0.046 0.000 2.166 379 N HA -0.135 4.605 4.740 -0.000 0.000 0.186 379 N C 1.790 177.312 175.510 0.019 0.000 1.019 379 N CA 1.541 54.607 53.050 0.027 0.000 0.856 379 N CB -0.503 37.999 38.487 0.025 0.000 0.993 379 N HN 0.564 nan 8.380 nan 0.000 0.426 380 A N 1.023 123.855 122.820 0.021 0.000 1.930 380 A HA -0.084 4.235 4.320 -0.000 0.000 0.217 380 A C 2.121 179.716 177.584 0.019 0.000 1.175 380 A CA 1.123 53.168 52.037 0.014 0.000 0.627 380 A CB -0.338 18.668 19.000 0.011 0.000 0.815 380 A HN 0.274 nan 8.150 nan 0.000 0.443 381 E N -0.335 119.884 120.200 0.031 0.000 2.107 381 E HA -0.101 4.249 4.350 -0.000 0.000 0.191 381 E C 1.832 178.451 176.600 0.032 0.000 0.982 381 E CA 0.737 57.159 56.400 0.037 0.000 0.809 381 E CB -0.135 29.597 29.700 0.054 0.000 0.756 381 E HN 0.512 nan 8.360 nan 0.000 0.459 382 I N 1.016 121.603 120.570 0.028 0.000 2.248 382 I HA -0.272 3.898 4.170 -0.000 0.000 0.248 382 I C 2.281 178.403 176.117 0.008 0.000 1.107 382 I CA 1.037 62.347 61.300 0.016 0.000 1.373 382 I CB -0.815 37.189 38.000 0.005 0.000 1.055 382 I HN 0.190 nan 8.210 nan 0.000 0.418 383 L N 0.592 121.819 121.223 0.007 0.000 1.994 383 L HA -0.180 4.160 4.340 -0.000 0.000 0.208 383 L C 2.206 179.080 176.870 0.006 0.000 1.071 383 L CA 1.776 56.617 54.840 0.002 0.000 0.745 383 L CB -1.010 41.050 42.059 0.001 0.000 0.892 383 L HN 0.146 nan 8.230 nan 0.000 0.431 384 E N -1.161 119.046 120.200 0.012 0.000 2.502 384 E HA 0.073 4.423 4.350 -0.000 0.000 0.194 384 E C -0.097 176.514 176.600 0.018 0.000 1.062 384 E CA 0.038 56.447 56.400 0.014 0.000 0.867 384 E CB -0.038 29.672 29.700 0.017 0.000 0.888 384 E HN 0.052 nan 8.360 nan 0.000 0.510 385 L N 0.677 121.912 121.223 0.019 0.000 2.344 385 L HA 0.254 4.593 4.340 -0.000 0.000 0.272 385 L C -0.043 176.836 176.870 0.015 0.000 1.035 385 L CA -0.577 54.277 54.840 0.023 0.000 0.807 385 L CB 1.361 43.438 42.059 0.031 0.000 1.237 385 L HN -0.130 nan 8.230 nan 0.000 0.442 386 D N 2.111 122.522 120.400 0.017 0.000 2.390 386 D HA 0.100 4.739 4.640 -0.000 0.000 0.249 386 D C -0.124 176.180 176.300 0.007 0.000 1.144 386 D CA -0.094 53.913 54.000 0.012 0.000 0.880 386 D CB 1.546 42.356 40.800 0.016 0.000 1.182 386 D HN 0.641 nan 8.370 nan 0.000 0.451 387 A N 3.420 126.240 122.820 0.000 0.000 2.900 387 A HA 0.138 4.458 4.320 -0.000 0.000 0.246 387 A C 1.157 178.738 177.584 -0.006 0.000 1.725 387 A CA 0.436 52.468 52.037 -0.007 0.000 1.400 387 A CB -0.400 18.592 19.000 -0.013 0.000 0.973 387 A HN 0.452 nan 8.150 nan 0.000 0.635 388 S N -1.184 114.516 115.700 0.001 0.000 2.699 388 S HA 0.023 4.493 4.470 -0.000 0.000 0.277 388 S C 0.768 175.371 174.600 0.005 0.000 1.062 388 S CA 0.492 58.694 58.200 0.002 0.000 1.116 388 S CB 0.136 63.339 63.200 0.004 0.000 0.977 388 S HN 0.464 nan 8.310 nan 0.000 0.498 389 D N 2.180 122.587 120.400 0.012 0.000 2.323 389 D HA 0.055 4.694 4.640 -0.000 0.000 0.209 389 D C 1.754 178.066 176.300 0.020 0.000 0.973 389 D CA 1.527 55.539 54.000 0.020 0.000 0.874 389 D CB -0.263 40.556 40.800 0.033 0.000 0.930 389 D HN 0.669 nan 8.370 nan 0.000 0.521 390 T N -1.886 112.675 114.554 0.011 0.000 3.160 390 T HA 0.020 4.369 4.350 -0.000 0.000 0.257 390 T C 0.826 175.519 174.700 -0.012 0.000 1.147 390 T CA -0.051 62.053 62.100 0.007 0.000 1.064 390 T CB -0.051 68.814 68.868 -0.004 0.000 0.949 390 T HN 0.031 nan 8.240 nan 0.000 0.526 391 Q N -0.031 119.761 119.800 -0.013 0.000 2.306 391 Q HA 0.430 4.770 4.340 -0.000 0.000 0.241 391 Q C 0.527 176.495 176.000 -0.053 0.000 0.948 391 Q CA -0.849 54.935 55.803 -0.031 0.000 0.886 391 Q CB 1.289 30.035 28.738 0.013 0.000 1.227 391 Q HN 0.036 nan 8.270 nan 0.000 0.457 392 L N 1.291 122.417 121.223 -0.163 0.000 2.044 392 L HA -0.101 4.239 4.340 -0.000 0.000 0.205 392 L C 0.796 177.568 176.870 -0.163 0.000 1.075 392 L CA 1.547 56.200 54.840 -0.312 0.000 0.747 392 L CB -0.353 41.208 42.059 -0.830 0.000 0.903 392 L HN 0.635 nan 8.230 nan 0.000 0.435 393 Y N 0.885 121.044 120.300 -0.235 0.000 2.667 393 Y HA 0.263 4.812 4.550 -0.000 0.000 0.340 393 Y C 0.442 176.426 175.900 0.140 0.000 1.303 393 Y CA -1.363 56.789 58.100 0.086 0.000 1.769 393 Y CB -0.653 37.948 38.460 0.235 0.000 1.804 393 Y HN 0.030 nan 8.280 nan 0.000 0.451 394 I N 3.002 123.565 120.570 -0.011 0.000 2.692 394 I HA -0.004 4.166 4.170 -0.000 0.000 0.284 394 I C -0.109 175.911 176.117 -0.162 0.000 1.159 394 I CA 0.174 61.438 61.300 -0.059 0.000 1.423 394 I CB 0.581 38.583 38.000 0.002 0.000 1.380 394 I HN 0.450 nan 8.210 nan 0.000 0.580 395 D N 6.013 126.345 120.400 -0.113 0.000 2.232 395 D HA 0.206 4.845 4.640 -0.000 0.000 0.242 395 D C 0.710 177.006 176.300 -0.007 0.000 1.093 395 D CA -0.190 53.758 54.000 -0.085 0.000 0.845 395 D CB 1.238 42.001 40.800 -0.062 0.000 1.124 395 D HN 0.487 nan 8.370 nan 0.000 0.467 396 L N 3.175 124.421 121.223 0.039 0.000 2.313 396 L HA 0.036 4.376 4.340 -0.000 0.000 0.214 396 L C 1.305 178.232 176.870 0.096 0.000 1.119 396 L CA 0.270 55.167 54.840 0.095 0.000 0.809 396 L CB -0.331 41.843 42.059 0.191 0.000 0.933 396 L HN 0.633 nan 8.230 nan 0.000 0.449 397 K N -0.611 119.830 120.400 0.067 0.000 3.274 397 K HA -0.241 4.079 4.320 -0.000 0.000 0.300 397 K C 0.942 177.575 176.600 0.054 0.000 1.230 397 K CA 0.292 56.608 56.287 0.049 0.000 0.884 397 K CB -1.890 30.633 32.500 0.039 0.000 1.242 397 K HN 0.575 nan 8.250 nan 0.000 0.467 398 G N 0.151 108.998 108.800 0.079 0.000 2.159 398 G HA2 -0.353 3.606 3.960 -0.000 0.000 0.256 398 G HA3 -0.353 3.606 3.960 -0.000 0.000 0.256 398 G C 0.223 175.180 174.900 0.094 0.000 0.977 398 G CA 0.689 45.807 45.100 0.029 0.000 0.652 398 G HN 0.362 nan 8.290 nan 0.000 0.531 399 R N -0.012 120.591 120.500 0.171 0.000 2.783 399 R HA 0.440 4.779 4.340 -0.000 0.000 0.276 399 R C 0.107 176.567 176.300 0.267 0.000 1.223 399 R CA -0.130 56.069 56.100 0.166 0.000 1.173 399 R CB 0.189 30.558 30.300 0.115 0.000 1.157 399 R HN 0.215 nan 8.270 nan 0.000 0.600 400 D N 0.268 120.766 120.400 0.164 0.000 2.312 400 D HA 0.090 4.730 4.640 -0.000 0.000 0.252 400 D C -1.835 174.461 176.300 -0.007 0.000 1.150 400 D CA -2.286 51.789 54.000 0.126 0.000 0.870 400 D CB 1.260 42.114 40.800 0.090 0.000 1.153 400 D HN 0.068 nan 8.370 nan 0.000 0.457 401 P HA -0.098 nan 4.420 nan 0.000 0.224 401 P C 0.218 177.405 177.300 -0.189 0.000 1.142 401 P CA 0.890 63.743 63.100 -0.412 0.000 0.778 401 P CB 0.357 31.513 31.700 -0.907 0.000 0.764 402 D N -1.439 118.929 120.400 -0.054 0.000 2.269 402 D HA -0.087 4.553 4.640 -0.000 0.000 0.220 402 D C 1.600 177.966 176.300 0.111 0.000 0.962 402 D CA 0.795 54.846 54.000 0.085 0.000 0.884 402 D CB -0.713 40.139 40.800 0.087 0.000 1.023 402 D HN 0.146 nan 8.370 nan 0.000 0.484 403 D N 1.445 121.888 120.400 0.072 0.000 2.137 403 D HA -0.153 4.486 4.640 -0.000 0.000 0.189 403 D C 0.704 177.065 176.300 0.102 0.000 0.998 403 D CA 1.546 55.589 54.000 0.071 0.000 0.839 403 D CB -0.062 40.776 40.800 0.063 0.000 0.962 403 D HN 0.046 nan 8.370 nan 0.000 0.446 404 A N -0.524 122.350 122.820 0.090 0.000 2.993 404 A HA 0.293 4.612 4.320 -0.000 0.000 0.281 404 A C -0.706 176.955 177.584 0.129 0.000 1.847 404 A CA 0.107 52.195 52.037 0.085 0.000 1.470 404 A CB -1.175 17.853 19.000 0.046 0.000 1.028 404 A HN 0.335 nan 8.150 nan 0.000 0.604 405 F N 1.317 121.275 119.950 0.013 0.000 2.588 405 F HA 0.538 5.065 4.527 -0.000 0.000 0.318 405 F C 0.203 176.039 175.800 0.061 0.000 1.155 405 F CA -0.330 57.694 58.000 0.039 0.000 0.967 405 F CB 1.828 40.840 39.000 0.020 0.000 1.236 405 F HN 0.439 nan 8.300 nan 0.000 0.455 406 S N 2.193 118.149 115.700 0.428 0.000 3.144 406 S HA 0.720 5.190 4.470 -0.000 0.000 0.325 406 S C 0.418 175.267 174.600 0.416 0.000 1.161 406 S CA -0.132 58.278 58.200 0.350 0.000 0.920 406 S CB 1.218 64.529 63.200 0.184 0.000 1.340 406 S HN 0.819 nan 8.310 nan 0.000 0.681 407 G N -0.107 108.863 108.800 0.283 0.000 2.850 407 G HA2 0.277 4.237 3.960 -0.000 0.000 0.211 407 G HA3 0.277 4.237 3.960 -0.000 0.000 0.211 407 G C 1.051 176.156 174.900 0.342 0.000 1.124 407 G CA 0.487 45.762 45.100 0.292 0.000 0.769 407 G HN 0.504 nan 8.290 nan 0.000 0.535 408 V N 2.794 122.851 119.914 0.238 0.000 2.223 408 V HA -0.229 3.891 4.120 -0.000 0.000 0.253 408 V C 0.811 177.034 176.094 0.215 0.000 1.061 408 V CA 2.800 65.211 62.300 0.186 0.000 1.035 408 V CB -1.348 30.542 31.823 0.112 0.000 0.653 408 V HN 0.334 nan 8.190 nan 0.000 0.454 409 P HA -0.206 nan 4.420 nan 0.000 0.216 409 P C 1.311 178.726 177.300 0.192 0.000 1.150 409 P CA 2.044 65.246 63.100 0.171 0.000 0.843 409 P CB -0.153 31.585 31.700 0.064 0.000 0.787 410 Y N 0.265 120.688 120.300 0.204 0.000 2.092 410 Y HA -0.149 4.400 4.550 -0.000 0.000 0.282 410 Y C 2.784 178.792 175.900 0.180 0.000 1.126 410 Y CA 1.219 59.442 58.100 0.205 0.000 1.111 410 Y CB -1.531 37.030 38.460 0.168 0.000 0.987 410 Y HN -0.279 nan 8.280 nan 0.000 0.489 411 V N -0.003 120.129 119.914 0.363 0.000 2.407 411 V HA -0.204 3.916 4.120 -0.000 0.000 0.245 411 V C 2.177 178.407 176.094 0.227 0.000 1.041 411 V CA 1.887 64.334 62.300 0.245 0.000 1.040 411 V CB -0.569 31.367 31.823 0.190 0.000 0.671 411 V HN 0.282 nan 8.190 nan 0.000 0.455 412 K N 0.572 121.110 120.400 0.229 0.000 2.211 412 K HA -0.084 4.236 4.320 -0.000 0.000 0.203 412 K C 2.012 178.747 176.600 0.225 0.000 1.050 412 K CA 1.315 57.748 56.287 0.243 0.000 0.945 412 K CB -0.354 32.270 32.500 0.206 0.000 0.732 412 K HN 0.500 nan 8.250 nan 0.000 0.451 413 G N 0.447 109.391 108.800 0.240 0.000 2.551 413 G HA2 -0.218 3.742 3.960 -0.000 0.000 0.216 413 G HA3 -0.218 3.742 3.960 -0.000 0.000 0.216 413 G C 1.260 176.280 174.900 0.200 0.000 1.137 413 G CA 0.187 45.470 45.100 0.305 0.000 0.798 413 G HN 0.388 nan 8.290 nan 0.000 0.536 414 Q N -0.087 119.825 119.800 0.188 0.000 2.062 414 Q HA 0.072 4.411 4.340 -0.000 0.000 0.196 414 Q C 2.422 178.481 176.000 0.098 0.000 0.967 414 Q CA 0.572 56.476 55.803 0.169 0.000 0.832 414 Q CB -0.216 28.654 28.738 0.220 0.000 0.899 414 Q HN 0.449 nan 8.270 nan 0.000 0.442 415 L N 0.383 121.668 121.223 0.104 0.000 2.131 415 L HA -0.156 4.184 4.340 -0.000 0.000 0.210 415 L C 2.496 179.265 176.870 -0.168 0.000 1.092 415 L CA 0.868 55.762 54.840 0.090 0.000 0.759 415 L CB -0.661 41.543 42.059 0.241 0.000 0.903 415 L HN 0.307 nan 8.230 nan 0.000 0.435 416 F N 1.344 120.882 119.950 -0.688 0.000 2.102 416 F HA -0.190 4.336 4.527 -0.001 0.000 0.298 416 F C 2.048 177.428 175.800 -0.700 0.000 1.105 416 F CA 1.532 58.751 58.000 -1.301 0.000 1.239 416 F CB -0.470 37.950 39.000 -0.966 0.000 0.991 416 F HN -0.090 nan 8.300 nan 0.000 0.474 417 L N -0.679 120.097 121.223 -0.745 0.000 2.240 417 L HA -0.117 4.223 4.340 -0.000 0.000 0.211 417 L C 2.460 178.863 176.870 -0.779 0.000 1.106 417 L CA 0.659 54.932 54.840 -0.946 0.000 0.793 417 L CB -0.630 40.812 42.059 -1.029 0.000 0.927 417 L HN 0.130 nan 8.230 nan 0.000 0.446 418 M N -1.378 118.043 119.600 -0.299 0.000 2.374 418 M HA -0.192 4.288 4.480 -0.000 0.000 0.264 418 M C 2.253 178.459 176.300 -0.157 0.000 1.067 418 M CA 1.630 56.887 55.300 -0.072 0.000 1.103 418 M CB -0.293 32.363 32.600 0.093 0.000 1.402 418 M HN 0.212 nan 8.290 nan 0.000 0.444 419 Y N 1.348 121.474 120.300 -0.289 0.000 2.220 419 Y HA -0.107 4.443 4.550 -0.000 0.000 0.291 419 Y C 1.825 177.578 175.900 -0.246 0.000 1.129 419 Y CA 1.474 59.486 58.100 -0.146 0.000 1.161 419 Y CB -0.181 38.261 38.460 -0.030 0.000 0.997 419 Y HN 0.070 nan 8.280 nan 0.000 0.522 420 L N -0.061 120.886 121.223 -0.460 0.000 2.217 420 L HA -0.114 4.226 4.340 -0.000 0.000 0.211 420 L C 2.414 178.877 176.870 -0.677 0.000 1.107 420 L CA 1.465 56.015 54.840 -0.483 0.000 0.783 420 L CB -0.577 41.099 42.059 -0.639 0.000 0.919 420 L HN 0.281 nan 8.230 nan 0.000 0.442 421 E N 1.070 120.676 120.200 -0.990 0.000 2.006 421 E HA -0.230 4.120 4.350 -0.000 0.000 0.192 421 E C 1.949 178.377 176.600 -0.288 0.000 0.993 421 E CA 1.370 57.355 56.400 -0.693 0.000 0.808 421 E CB 0.040 29.527 29.700 -0.354 0.000 0.764 421 E HN 0.486 nan 8.360 nan 0.000 0.449 422 E N 0.320 120.364 120.200 -0.261 0.000 2.147 422 E HA -0.229 4.121 4.350 -0.000 0.000 0.199 422 E C 2.151 178.580 176.600 -0.285 0.000 1.005 422 E CA 0.985 57.257 56.400 -0.213 0.000 0.810 422 E CB -0.019 29.570 29.700 -0.184 0.000 0.736 422 E HN 0.103 nan 8.360 nan 0.000 0.460 423 K N -0.133 120.020 120.400 -0.412 0.000 2.103 423 K HA -0.039 4.281 4.320 -0.000 0.000 0.204 423 K C 1.725 177.951 176.600 -0.625 0.000 1.052 423 K CA 1.037 56.985 56.287 -0.565 0.000 0.945 423 K CB -0.021 32.047 32.500 -0.720 0.000 0.722 423 K HN 0.182 nan 8.250 nan 0.000 0.443 424 F N -0.409 119.386 119.950 -0.258 0.000 2.712 424 F HA 0.250 4.777 4.527 -0.001 0.000 0.297 424 F C 1.026 176.731 175.800 -0.159 0.000 1.114 424 F CA 0.338 58.216 58.000 -0.202 0.000 1.305 424 F CB 0.691 39.589 39.000 -0.170 0.000 1.086 424 F HN 0.089 nan 8.300 nan 0.000 0.599 425 G N 0.728 109.547 108.800 0.032 0.000 2.662 425 G HA2 -0.155 3.805 3.960 -0.000 0.000 0.686 425 G HA3 -0.155 3.805 3.960 -0.000 0.000 0.686 425 G C 0.349 175.333 174.900 0.139 0.000 1.271 425 G CA -0.679 44.442 45.100 0.035 0.000 0.816 425 G HN 0.039 nan 8.290 nan 0.000 0.608 426 R N 0.614 121.198 120.500 0.141 0.000 2.062 426 R HA -0.045 4.295 4.340 -0.000 0.000 0.229 426 R C 2.288 178.695 176.300 0.178 0.000 1.128 426 R CA 1.775 58.008 56.100 0.221 0.000 0.960 426 R CB -0.527 29.871 30.300 0.163 0.000 0.855 426 R HN 0.709 nan 8.270 nan 0.000 0.432 427 E N 1.282 121.542 120.200 0.100 0.000 2.068 427 E HA -0.250 4.100 4.350 -0.000 0.000 0.207 427 E C 2.038 178.690 176.600 0.086 0.000 1.032 427 E CA 1.794 58.238 56.400 0.072 0.000 0.839 427 E CB -0.006 29.713 29.700 0.031 0.000 0.758 427 E HN 0.011 nan 8.360 nan 0.000 0.457 428 R N -1.035 119.501 120.500 0.060 0.000 2.075 428 R HA 0.066 4.406 4.340 -0.000 0.000 0.226 428 R C 2.140 178.537 176.300 0.162 0.000 1.114 428 R CA 1.236 57.351 56.100 0.025 0.000 0.972 428 R CB -0.983 29.180 30.300 -0.228 0.000 0.869 428 R HN 0.303 nan 8.270 nan 0.000 0.437 429 F N 1.673 121.647 119.950 0.040 0.000 2.075 429 F HA -0.162 4.364 4.527 -0.001 0.000 0.297 429 F C 1.372 177.295 175.800 0.205 0.000 1.113 429 F CA 1.763 59.800 58.000 0.062 0.000 1.218 429 F CB -0.504 38.522 39.000 0.042 0.000 0.984 429 F HN 0.007 nan 8.300 nan 0.000 0.472 430 D N 0.405 120.886 120.400 0.135 0.000 2.182 430 D HA -0.144 4.496 4.640 -0.000 0.000 0.201 430 D C 2.338 178.687 176.300 0.082 0.000 0.986 430 D CA 1.389 55.449 54.000 0.099 0.000 0.847 430 D CB -0.676 40.245 40.800 0.201 0.000 0.942 430 D HN 0.374 nan 8.370 nan 0.000 0.467 431 A N 0.321 123.204 122.820 0.105 0.000 1.877 431 A HA -0.146 4.173 4.320 -0.000 0.000 0.216 431 A C 2.087 179.721 177.584 0.083 0.000 1.186 431 A CA 1.169 53.268 52.037 0.104 0.000 0.620 431 A CB -0.988 18.087 19.000 0.127 0.000 0.822 431 A HN 0.303 nan 8.150 nan 0.000 0.443 432 F N 1.077 121.004 119.950 -0.040 0.000 2.051 432 F HA -0.173 4.354 4.527 -0.001 0.000 0.296 432 F C 2.140 177.885 175.800 -0.092 0.000 1.122 432 F CA 2.239 60.196 58.000 -0.072 0.000 1.201 432 F CB -0.715 38.198 39.000 -0.146 0.000 0.978 432 F HN 0.010 nan 8.300 nan 0.000 0.472 433 V N 1.022 120.619 119.914 -0.529 0.000 2.324 433 V HA -0.308 3.812 4.120 -0.000 0.000 0.250 433 V C 2.435 178.267 176.094 -0.437 0.000 1.060 433 V CA 1.904 63.813 62.300 -0.650 0.000 1.042 433 V CB -1.082 30.370 31.823 -0.619 0.000 0.650 433 V HN 0.535 nan 8.190 nan 0.000 0.450 434 L N 0.584 121.730 121.223 -0.128 0.000 2.017 434 L HA -0.176 4.163 4.340 -0.000 0.000 0.208 434 L C 2.386 179.258 176.870 0.004 0.000 1.073 434 L CA 2.014 56.884 54.840 0.051 0.000 0.745 434 L CB -0.837 41.297 42.059 0.126 0.000 0.894 434 L HN 0.403 nan 8.230 nan 0.000 0.432 435 E N -1.622 118.555 120.200 -0.038 0.000 2.110 435 E HA -0.293 4.057 4.350 -0.000 0.000 0.193 435 E C 2.043 178.648 176.600 0.009 0.000 0.988 435 E CA 1.604 58.012 56.400 0.013 0.000 0.804 435 E CB -0.565 29.171 29.700 0.061 0.000 0.745 435 E HN 0.622 nan 8.360 nan 0.000 0.458 436 Y N 0.705 120.828 120.300 -0.294 0.000 2.081 436 Y HA -0.299 4.251 4.550 -0.001 0.000 0.280 436 Y C 1.722 177.489 175.900 -0.222 0.000 1.163 436 Y CA 1.726 59.595 58.100 -0.385 0.000 1.135 436 Y CB -0.563 37.417 38.460 -0.799 0.000 0.970 436 Y HN 0.025 nan 8.280 nan 0.000 0.498 437 F N 0.033 119.747 119.950 -0.393 0.000 2.206 437 F HA -0.187 4.340 4.527 -0.001 0.000 0.298 437 F C 2.231 177.891 175.800 -0.233 0.000 1.090 437 F CA 0.639 58.411 58.000 -0.380 0.000 1.323 437 F CB -0.203 38.757 39.000 -0.067 0.000 1.028 437 F HN 0.070 nan 8.300 nan 0.000 0.492 438 D N 0.173 120.610 120.400 0.062 0.000 2.097 438 D HA -0.155 4.485 4.640 -0.000 0.000 0.195 438 D C 2.336 178.585 176.300 -0.084 0.000 0.989 438 D CA 1.871 55.869 54.000 -0.004 0.000 0.827 438 D CB -0.519 40.297 40.800 0.026 0.000 0.966 438 D HN 0.220 nan 8.370 nan 0.000 0.456 439 S N -0.525 115.111 115.700 -0.107 0.000 2.447 439 S HA -0.137 4.333 4.470 -0.000 0.000 0.233 439 S C 1.062 175.367 174.600 -0.492 0.000 1.006 439 S CA 0.769 58.824 58.200 -0.243 0.000 0.957 439 S CB -0.392 62.676 63.200 -0.219 0.000 0.773 439 S HN 0.318 nan 8.310 nan 0.000 0.507 440 H N 1.195 120.062 119.070 -0.339 0.000 2.512 440 H HA 0.635 5.191 4.556 -0.000 0.000 0.276 440 H C 0.499 175.647 175.328 -0.302 0.000 1.126 440 H CA -0.276 55.569 56.048 -0.338 0.000 1.060 440 H CB -0.118 29.350 29.762 -0.490 0.000 1.646 440 H HN 0.495 nan 8.280 nan 0.000 0.571 441 A N 0.549 123.236 122.820 -0.222 0.000 2.553 441 A HA 0.120 4.439 4.320 -0.000 0.000 0.258 441 A C -0.213 177.235 177.584 -0.226 0.000 1.069 441 A CA 0.185 52.010 52.037 -0.354 0.000 0.767 441 A CB -1.197 17.644 19.000 -0.266 0.000 0.997 441 A HN 0.547 nan 8.150 nan 0.000 0.512 442 F N -0.771 119.074 119.950 -0.175 0.000 3.043 442 F HA -0.217 4.309 4.527 -0.001 0.000 0.290 442 F C 0.691 176.429 175.800 -0.102 0.000 0.844 442 F CA 1.609 59.524 58.000 -0.142 0.000 1.184 442 F CB -2.205 36.691 39.000 -0.174 0.000 1.246 442 F HN 0.771 nan 8.300 nan 0.000 0.536 443 Q N -1.077 118.713 119.800 -0.016 0.000 2.572 443 Q HA 0.780 5.120 4.340 -0.000 0.000 0.284 443 Q C -0.250 175.727 176.000 -0.038 0.000 1.091 443 Q CA -0.952 54.838 55.803 -0.021 0.000 0.840 443 Q CB 2.591 31.303 28.738 -0.044 0.000 1.433 443 Q HN 0.147 nan 8.270 nan 0.000 0.471 444 S N 0.042 115.721 115.700 -0.035 0.000 2.568 444 S HA 0.792 5.262 4.470 -0.000 0.000 0.302 444 S C -1.746 172.835 174.600 -0.030 0.000 1.082 444 S CA -0.483 57.683 58.200 -0.057 0.000 1.009 444 S CB 0.967 64.122 63.200 -0.074 0.000 1.069 444 S HN 0.362 nan 8.310 nan 0.000 0.500 445 L N 2.087 123.275 121.223 -0.058 0.000 2.506 445 L HA 0.802 5.142 4.340 -0.000 0.000 0.257 445 L C -0.158 176.687 176.870 -0.040 0.000 0.964 445 L CA 0.024 54.850 54.840 -0.022 0.000 0.836 445 L CB 1.761 43.794 42.059 -0.044 0.000 1.384 445 L HN 0.798 nan 8.230 nan 0.000 0.410 446 G N 0.612 109.428 108.800 0.026 0.000 2.454 446 G HA2 0.474 4.434 3.960 -0.000 0.000 0.329 446 G HA3 0.474 4.434 3.960 -0.000 0.000 0.329 446 G C 0.308 175.273 174.900 0.108 0.000 1.177 446 G CA 0.208 45.340 45.100 0.054 0.000 0.951 446 G HN 0.647 nan 8.290 nan 0.000 0.485 447 T N 0.700 115.332 114.554 0.131 0.000 2.635 447 T HA -0.163 4.187 4.350 -0.000 0.000 0.267 447 T C 1.914 176.759 174.700 0.241 0.000 1.040 447 T CA 2.018 64.265 62.100 0.245 0.000 1.156 447 T CB -0.233 68.678 68.868 0.072 0.000 0.863 447 T HN 0.506 nan 8.240 nan 0.000 0.430 448 D N 0.911 121.374 120.400 0.105 0.000 2.158 448 D HA -0.084 4.556 4.640 -0.000 0.000 0.197 448 D C 2.145 178.546 176.300 0.170 0.000 0.995 448 D CA 0.895 54.976 54.000 0.136 0.000 0.846 448 D CB -0.349 40.496 40.800 0.076 0.000 0.941 448 D HN 0.370 nan 8.370 nan 0.000 0.456 449 N N -0.271 118.535 118.700 0.177 0.000 2.290 449 N HA -0.096 4.644 4.740 -0.000 0.000 0.179 449 N C 1.745 177.410 175.510 0.258 0.000 1.016 449 N CA 0.077 53.241 53.050 0.190 0.000 0.871 449 N CB -0.412 38.173 38.487 0.163 0.000 0.987 449 N HN 0.158 nan 8.380 nan 0.000 0.431 450 F N 2.818 122.848 119.950 0.134 0.000 2.087 450 F HA -0.238 4.289 4.527 -0.000 0.000 0.299 450 F C 2.186 178.133 175.800 0.244 0.000 1.100 450 F CA 1.146 59.239 58.000 0.154 0.000 1.226 450 F CB -0.617 38.442 39.000 0.098 0.000 0.983 450 F HN -0.247 nan 8.300 nan 0.000 0.479 451 V N 0.611 120.583 119.914 0.096 0.000 2.255 451 V HA -0.359 3.760 4.120 -0.000 0.000 0.247 451 V C 2.481 178.565 176.094 -0.016 0.000 1.051 451 V CA 2.416 64.715 62.300 -0.002 0.000 1.018 451 V CB -0.850 31.067 31.823 0.157 0.000 0.641 451 V HN 0.329 nan 8.190 nan 0.000 0.445 452 K N -0.193 120.250 120.400 0.072 0.000 2.044 452 K HA -0.268 4.052 4.320 -0.000 0.000 0.210 452 K C 2.092 178.728 176.600 0.060 0.000 1.049 452 K CA 2.154 58.485 56.287 0.073 0.000 0.927 452 K CB -0.766 31.801 32.500 0.112 0.000 0.713 452 K HN 0.531 nan 8.250 nan 0.000 0.443 453 Y N 0.290 120.584 120.300 -0.011 0.000 2.263 453 Y HA -0.032 4.518 4.550 -0.001 0.000 0.292 453 Y C 1.882 177.778 175.900 -0.006 0.000 1.130 453 Y CA 1.458 59.576 58.100 0.030 0.000 1.179 453 Y CB -0.057 38.484 38.460 0.135 0.000 0.998 453 Y HN 0.114 nan 8.280 nan 0.000 0.532 454 L N -0.061 121.031 121.223 -0.218 0.000 2.201 454 L HA -0.193 4.147 4.340 -0.000 0.000 0.212 454 L C 1.904 178.572 176.870 -0.337 0.000 1.105 454 L CA 1.516 56.125 54.840 -0.385 0.000 0.775 454 L CB -0.229 41.455 42.059 -0.625 0.000 0.913 454 L HN 0.252 nan 8.230 nan 0.000 0.440 455 K N -0.559 119.716 120.400 -0.208 0.000 2.099 455 K HA 0.046 4.366 4.320 -0.000 0.000 0.203 455 K C 2.035 178.532 176.600 -0.171 0.000 1.047 455 K CA 0.947 57.143 56.287 -0.151 0.000 0.963 455 K CB -0.106 32.356 32.500 -0.064 0.000 0.759 455 K HN 0.262 nan 8.250 nan 0.000 0.451 456 A N 1.836 124.560 122.820 -0.160 0.000 2.067 456 A HA -0.091 4.229 4.320 -0.000 0.000 0.219 456 A C 1.396 178.837 177.584 -0.239 0.000 1.158 456 A CA 1.226 53.169 52.037 -0.157 0.000 0.661 456 A CB -0.176 18.765 19.000 -0.097 0.000 0.801 456 A HN 0.265 nan 8.150 nan 0.000 0.452 457 N N -1.618 116.884 118.700 -0.330 0.000 2.171 457 N HA 0.291 5.031 4.740 -0.000 0.000 0.212 457 N C 0.726 176.073 175.510 -0.272 0.000 1.184 457 N CA 0.127 53.004 53.050 -0.287 0.000 0.888 457 N CB 1.002 39.249 38.487 -0.401 0.000 1.038 457 N HN 0.425 nan 8.380 nan 0.000 0.517 458 L N -0.528 120.415 121.223 -0.466 0.000 3.202 458 L HA 0.111 4.451 4.340 -0.000 0.000 0.166 458 L C 1.370 177.970 176.870 -0.450 0.000 1.204 458 L CA 0.315 54.763 54.840 -0.654 0.000 0.894 458 L CB -0.272 41.050 42.059 -1.230 0.000 1.719 458 L HN -0.185 nan 8.230 nan 0.000 0.562 459 T N 0.111 114.452 114.554 -0.356 0.000 2.897 459 T HA -0.160 4.190 4.350 -0.000 0.000 0.271 459 T C 0.584 175.299 174.700 0.025 0.000 1.084 459 T CA 1.887 63.982 62.100 -0.009 0.000 1.123 459 T CB -0.136 68.731 68.868 -0.002 0.000 0.865 459 T HN 0.282 nan 8.240 nan 0.000 0.496 460 D N -0.622 119.726 120.400 -0.087 0.000 2.454 460 D HA 0.158 4.797 4.640 -0.000 0.000 0.214 460 D C 1.847 178.066 176.300 -0.135 0.000 1.088 460 D CA 0.216 54.175 54.000 -0.069 0.000 0.855 460 D CB 0.130 40.885 40.800 -0.075 0.000 1.025 460 D HN 0.252 nan 8.370 nan 0.000 0.502 461 K N -0.107 120.131 120.400 -0.271 0.000 2.031 461 K HA -0.057 4.263 4.320 -0.000 0.000 0.205 461 K C -0.284 175.977 176.600 -0.565 0.000 1.049 461 K CA 0.968 56.954 56.287 -0.502 0.000 0.939 461 K CB 0.094 32.127 32.500 -0.780 0.000 0.717 461 K HN 0.034 nan 8.250 nan 0.000 0.438 462 Y N 2.349 122.676 120.300 0.044 0.000 2.919 462 Y HA 0.360 4.910 4.550 -0.001 0.000 0.341 462 Y C -2.388 173.630 175.900 0.198 0.000 1.045 462 Y CA -3.424 54.767 58.100 0.152 0.000 1.218 462 Y CB 0.651 39.294 38.460 0.304 0.000 1.137 462 Y HN 0.114 nan 8.280 nan 0.000 0.577 463 P HA 0.096 nan 4.420 nan 0.000 0.274 463 P C -0.380 176.973 177.300 0.087 0.000 1.231 463 P CA -0.022 63.145 63.100 0.112 0.000 0.790 463 P CB 1.034 32.765 31.700 0.051 0.000 0.951 464 N N -0.490 118.245 118.700 0.057 0.000 2.850 464 N HA -0.169 4.571 4.740 -0.000 0.000 0.249 464 N C 0.315 175.802 175.510 -0.039 0.000 1.060 464 N CA 0.843 53.900 53.050 0.012 0.000 0.825 464 N CB -1.913 36.577 38.487 0.004 0.000 1.132 464 N HN 0.323 nan 8.380 nan 0.000 0.564 465 I N -1.251 119.282 120.570 -0.063 0.000 2.900 465 I HA 0.159 4.329 4.170 -0.000 0.000 0.251 465 I C 0.590 176.592 176.117 -0.191 0.000 1.102 465 I CA 0.738 61.881 61.300 -0.262 0.000 1.457 465 I CB 0.229 37.802 38.000 -0.711 0.000 1.285 465 I HN -0.055 nan 8.210 nan 0.000 0.459 466 V N 1.536 121.435 119.914 -0.025 0.000 2.495 466 V HA 0.496 4.615 4.120 -0.000 0.000 0.298 466 V C -0.240 175.936 176.094 0.135 0.000 1.031 466 V CA -0.833 61.535 62.300 0.112 0.000 0.871 466 V CB 1.510 33.505 31.823 0.287 0.000 0.988 466 V HN 0.338 nan 8.190 nan 0.000 0.432 467 S N 1.448 117.215 115.700 0.111 0.000 2.525 467 S HA 0.327 4.797 4.470 -0.000 0.000 0.290 467 S C 0.373 175.044 174.600 0.117 0.000 1.152 467 S CA -0.738 57.516 58.200 0.090 0.000 1.072 467 S CB 1.392 64.623 63.200 0.052 0.000 1.027 467 S HN 0.659 nan 8.310 nan 0.000 0.500 468 D N 1.855 122.315 120.400 0.101 0.000 2.417 468 D HA -0.096 4.543 4.640 -0.000 0.000 0.225 468 D C 0.940 177.310 176.300 0.118 0.000 0.983 468 D CA 1.085 55.152 54.000 0.112 0.000 0.949 468 D CB -0.524 40.329 40.800 0.089 0.000 0.879 468 D HN 0.674 nan 8.370 nan 0.000 0.520 469 N N -0.152 118.609 118.700 0.101 0.000 2.395 469 N HA -0.012 4.728 4.740 -0.000 0.000 0.175 469 N C 1.306 176.879 175.510 0.106 0.000 1.029 469 N CA 0.379 53.481 53.050 0.088 0.000 0.897 469 N CB 0.319 38.841 38.487 0.059 0.000 0.991 469 N HN 0.193 nan 8.380 nan 0.000 0.441 470 E N 0.043 120.327 120.200 0.140 0.000 2.230 470 E HA 0.033 4.383 4.350 -0.000 0.000 0.192 470 E C 1.365 178.148 176.600 0.305 0.000 0.987 470 E CA 0.493 57.018 56.400 0.208 0.000 0.841 470 E CB 0.233 30.073 29.700 0.233 0.000 0.783 470 E HN 0.370 nan 8.360 nan 0.000 0.481 471 I N 1.525 122.247 120.570 0.253 0.000 2.193 471 I HA -0.221 3.949 4.170 -0.000 0.000 0.240 471 I C 2.027 178.180 176.117 0.061 0.000 1.084 471 I CA 0.707 62.136 61.300 0.214 0.000 1.365 471 I CB -0.213 37.910 38.000 0.206 0.000 1.064 471 I HN 0.079 nan 8.210 nan 0.000 0.410 472 N N 0.611 119.391 118.700 0.133 0.000 2.205 472 N HA -0.244 4.496 4.740 -0.000 0.000 0.186 472 N C 1.791 177.378 175.510 0.128 0.000 1.015 472 N CA 1.428 54.623 53.050 0.243 0.000 0.862 472 N CB -0.225 38.453 38.487 0.317 0.000 0.986 472 N HN 0.378 nan 8.380 nan 0.000 0.429 473 E N 0.265 120.480 120.200 0.024 0.000 2.046 473 E HA -0.120 4.230 4.350 -0.000 0.000 0.190 473 E C 1.880 178.326 176.600 -0.256 0.000 0.982 473 E CA 1.124 57.466 56.400 -0.096 0.000 0.800 473 E CB -0.412 29.218 29.700 -0.116 0.000 0.756 473 E HN 0.340 nan 8.360 nan 0.000 0.449 474 W N 0.962 122.042 121.300 -0.366 0.000 2.335 474 W HA -0.145 4.515 4.660 -0.001 0.000 0.311 474 W C 2.122 178.167 176.519 -0.791 0.000 1.213 474 W CA 1.715 58.670 57.345 -0.650 0.000 1.274 474 W CB -0.118 28.708 29.460 -1.057 0.000 1.148 474 W HN 0.210 nan 8.180 nan 0.000 0.498 475 I N -4.282 115.899 120.570 -0.647 0.000 3.427 475 I HA 0.044 4.214 4.170 -0.000 0.000 0.288 475 I C 1.238 176.894 176.117 -0.769 0.000 1.249 475 I CA 0.693 61.421 61.300 -0.954 0.000 1.421 475 I CB -0.658 36.556 38.000 -1.308 0.000 1.086 475 I HN -0.134 nan 8.210 nan 0.000 0.448 476 F N 1.533 121.409 119.950 -0.124 0.000 2.694 476 F HA 0.360 4.886 4.527 -0.001 0.000 0.292 476 F C 0.950 176.714 175.800 -0.059 0.000 1.121 476 F CA -0.199 57.781 58.000 -0.034 0.000 1.352 476 F CB -0.134 38.871 39.000 0.009 0.000 1.107 476 F HN -0.147 nan 8.300 nan 0.000 0.597 477 K N 0.498 120.921 120.400 0.038 0.000 2.095 477 K HA 0.646 4.965 4.320 -0.000 0.000 0.252 477 K C 0.128 176.683 176.600 -0.075 0.000 0.977 477 K CA -0.357 55.915 56.287 -0.025 0.000 0.900 477 K CB 1.011 33.465 32.500 -0.077 0.000 1.060 477 K HN 0.007 nan 8.250 nan 0.000 0.449 478 A N 1.042 123.824 122.820 -0.062 0.000 2.310 478 A HA 0.621 4.940 4.320 -0.000 0.000 0.260 478 A C 0.556 178.076 177.584 -0.107 0.000 1.112 478 A CA 0.337 52.334 52.037 -0.066 0.000 0.804 478 A CB -0.687 18.286 19.000 -0.045 0.000 1.081 478 A HN 0.775 nan 8.150 nan 0.000 0.499 479 G N -1.505 107.242 108.800 -0.089 0.000 2.707 479 G HA2 -0.137 3.823 3.960 -0.000 0.000 0.279 479 G HA3 -0.137 3.823 3.960 -0.000 0.000 0.279 479 G C -0.180 174.610 174.900 -0.183 0.000 1.345 479 G CA 0.251 45.285 45.100 -0.110 0.000 0.912 479 G HN 1.087 nan 8.290 nan 0.000 0.563 480 L N 0.485 121.581 121.223 -0.211 0.000 2.360 480 L HA 0.368 4.707 4.340 -0.000 0.000 0.271 480 L C -1.220 175.330 176.870 -0.533 0.000 1.057 480 L CA -1.751 52.885 54.840 -0.340 0.000 0.803 480 L CB 1.927 43.869 42.059 -0.195 0.000 1.207 480 L HN 0.363 nan 8.230 nan 0.000 0.445 481 P HA -0.106 nan 4.420 nan 0.000 0.239 481 P C 0.931 177.611 177.300 -1.034 0.000 1.184 481 P CA 0.883 63.248 63.100 -1.224 0.000 0.760 481 P CB 0.270 30.706 31.700 -2.105 0.000 0.884 482 S N -1.228 114.132 115.700 -0.567 0.000 1.799 482 S HA -0.327 4.142 4.470 -0.000 0.000 0.230 482 S C 1.255 175.744 174.600 -0.185 0.000 0.932 482 S CA 1.576 59.597 58.200 -0.299 0.000 1.516 482 S CB -2.663 60.404 63.200 -0.221 0.000 1.962 482 S HN 0.312 nan 8.310 nan 0.000 0.542 483 Y N 2.509 122.745 120.300 -0.105 0.000 2.477 483 Y HA 0.820 5.370 4.550 -0.000 0.000 0.303 483 Y C 0.941 176.900 175.900 0.099 0.000 1.202 483 Y CA -0.695 57.412 58.100 0.012 0.000 1.282 483 Y CB -0.968 37.520 38.460 0.045 0.000 1.071 483 Y HN 0.765 nan 8.280 nan 0.000 0.510 484 A N 2.010 124.832 122.820 0.003 0.000 2.454 484 A HA 0.348 4.668 4.320 -0.000 0.000 0.260 484 A C -2.215 175.561 177.584 0.319 0.000 1.106 484 A CA -1.491 50.707 52.037 0.267 0.000 0.780 484 A CB -0.315 18.739 19.000 0.089 0.000 1.044 484 A HN 0.227 nan 8.150 nan 0.000 0.498 485 P HA 0.037 nan 4.420 nan 0.000 0.264 485 P C -0.396 177.018 177.300 0.190 0.000 1.173 485 P CA 0.745 64.006 63.100 0.268 0.000 0.761 485 P CB 0.332 32.180 31.700 0.247 0.000 0.794 486 Q N 3.367 123.250 119.800 0.137 0.000 3.122 486 Q HA 0.333 4.672 4.340 -0.000 0.000 0.282 486 Q C -2.483 173.570 176.000 0.087 0.000 0.947 486 Q CA -1.858 54.011 55.803 0.109 0.000 0.812 486 Q CB -0.149 28.643 28.738 0.090 0.000 1.333 486 Q HN 0.255 nan 8.270 nan 0.000 0.430 487 P HA 0.004 nan 4.420 nan 0.000 0.263 487 P C -0.780 176.548 177.300 0.047 0.000 1.168 487 P CA 0.378 63.508 63.100 0.050 0.000 0.759 487 P CB 0.808 32.534 31.700 0.044 0.000 0.782 488 T N 1.423 115.986 114.554 0.015 0.000 2.916 488 T HA 0.468 4.817 4.350 -0.000 0.000 0.298 488 T C -1.087 173.584 174.700 -0.048 0.000 1.031 488 T CA -0.487 61.622 62.100 0.015 0.000 0.993 488 T CB 0.750 69.630 68.868 0.019 0.000 1.045 488 T HN 0.188 nan 8.240 nan 0.000 0.454 489 S N 3.398 119.048 115.700 -0.083 0.000 2.566 489 S HA 0.320 4.790 4.470 -0.000 0.000 0.324 489 S C 1.117 175.649 174.600 -0.114 0.000 1.081 489 S CA -0.639 57.444 58.200 -0.196 0.000 1.105 489 S CB 0.648 63.562 63.200 -0.477 0.000 0.981 489 S HN 0.761 nan 8.310 nan 0.000 0.464 490 N N 4.294 122.942 118.700 -0.088 0.000 2.058 490 N HA -0.219 4.521 4.740 -0.000 0.000 0.200 490 N C 1.980 177.463 175.510 -0.044 0.000 1.033 490 N CA 2.430 55.449 53.050 -0.053 0.000 0.880 490 N CB -0.364 38.098 38.487 -0.043 0.000 1.069 490 N HN 0.791 nan 8.380 nan 0.000 0.461 491 A N -0.685 122.095 122.820 -0.067 0.000 1.986 491 A HA -0.157 4.163 4.320 -0.000 0.000 0.220 491 A C 1.927 179.517 177.584 0.010 0.000 1.171 491 A CA 1.182 53.199 52.037 -0.033 0.000 0.640 491 A CB -0.865 18.102 19.000 -0.055 0.000 0.811 491 A HN 0.344 nan 8.150 nan 0.000 0.451 492 F N -0.451 119.331 119.950 -0.281 0.000 2.325 492 F HA 0.023 4.549 4.527 -0.000 0.000 0.299 492 F C 2.220 177.785 175.800 -0.392 0.000 1.090 492 F CA 1.388 59.081 58.000 -0.512 0.000 1.392 492 F CB -0.061 38.509 39.000 -0.717 0.000 1.053 492 F HN 0.293 nan 8.300 nan 0.000 0.521 493 K N -0.515 119.865 120.400 -0.033 0.000 2.365 493 K HA 0.073 4.393 4.320 -0.000 0.000 0.195 493 K C 1.904 178.515 176.600 0.018 0.000 1.079 493 K CA 0.399 56.685 56.287 -0.001 0.000 0.979 493 K CB 0.339 32.847 32.500 0.013 0.000 0.929 493 K HN -0.039 nan 8.250 nan 0.000 0.523 494 V N 1.946 121.868 119.914 0.013 0.000 2.527 494 V HA -0.279 3.841 4.120 -0.000 0.000 0.255 494 V C 2.103 178.230 176.094 0.054 0.000 1.081 494 V CA 1.659 63.979 62.300 0.033 0.000 1.092 494 V CB -0.359 31.486 31.823 0.037 0.000 0.673 494 V HN 0.312 nan 8.190 nan 0.000 0.470 495 I N -0.935 119.652 120.570 0.028 0.000 2.494 495 I HA -0.093 4.076 4.170 -0.000 0.000 0.250 495 I C 2.212 178.393 176.117 0.107 0.000 1.112 495 I CA 0.862 62.193 61.300 0.053 0.000 1.438 495 I CB -0.309 37.617 38.000 -0.124 0.000 1.111 495 I HN 0.213 nan 8.210 nan 0.000 0.431 496 D N 1.217 121.675 120.400 0.096 0.000 2.218 496 D HA -0.253 4.387 4.640 -0.000 0.000 0.194 496 D C 2.063 178.409 176.300 0.078 0.000 1.007 496 D CA 1.556 55.616 54.000 0.100 0.000 0.879 496 D CB 0.020 40.885 40.800 0.107 0.000 0.918 496 D HN 0.160 nan 8.370 nan 0.000 0.449 497 K N -0.132 120.313 120.400 0.076 0.000 2.067 497 K HA 0.046 4.365 4.320 -0.000 0.000 0.203 497 K C 2.267 178.916 176.600 0.082 0.000 1.048 497 K CA 0.600 56.926 56.287 0.065 0.000 0.954 497 K CB -0.009 32.525 32.500 0.057 0.000 0.737 497 K HN 0.155 nan 8.250 nan 0.000 0.444 498 Q N 0.738 120.604 119.800 0.111 0.000 2.152 498 Q HA -0.169 4.171 4.340 -0.000 0.000 0.206 498 Q C 2.028 178.140 176.000 0.188 0.000 0.985 498 Q CA 1.777 57.669 55.803 0.150 0.000 0.863 498 Q CB -0.653 28.203 28.738 0.196 0.000 0.904 498 Q HN 0.526 nan 8.270 nan 0.000 0.422 499 I N -0.714 119.974 120.570 0.197 0.000 2.761 499 I HA -0.166 4.004 4.170 -0.000 0.000 0.266 499 I C -0.033 176.142 176.117 0.096 0.000 1.239 499 I CA 0.852 62.253 61.300 0.168 0.000 1.451 499 I CB -0.484 37.536 38.000 0.034 0.000 1.096 499 I HN 0.071 nan 8.210 nan 0.000 0.465 500 N N 3.595 122.346 118.700 0.085 0.000 2.807 500 N HA 0.154 4.894 4.740 -0.000 0.000 0.259 500 N C -0.640 174.907 175.510 0.062 0.000 1.149 500 N CA -0.068 53.016 53.050 0.056 0.000 1.042 500 N CB 0.490 39.002 38.487 0.042 0.000 1.367 500 N HN 0.613 nan 8.380 nan 0.000 0.516 501 Q N 2.149 121.989 119.800 0.066 0.000 2.715 501 Q HA 0.209 4.549 4.340 -0.000 0.000 0.399 501 Q C 0.841 176.866 176.000 0.042 0.000 1.017 501 Q CA -0.401 55.438 55.803 0.060 0.000 1.077 501 Q CB 0.297 29.084 28.738 0.081 0.000 1.350 501 Q HN 0.455 nan 8.270 nan 0.000 0.421 502 L N -0.635 120.607 121.223 0.032 0.000 3.909 502 L HA -0.414 3.926 4.340 -0.000 0.000 0.056 502 L C 1.502 178.382 176.870 0.016 0.000 3.600 502 L CA 2.153 57.006 54.840 0.021 0.000 1.424 502 L CB -1.633 40.437 42.059 0.017 0.000 3.042 502 L HN 0.436 nan 8.230 nan 0.000 0.695 503 V N -0.923 118.999 119.914 0.014 0.000 3.416 503 V HA 0.355 4.475 4.120 -0.000 0.000 0.334 503 V C 0.463 176.566 176.094 0.014 0.000 1.271 503 V CA 0.394 62.700 62.300 0.011 0.000 1.274 503 V CB -1.272 30.556 31.823 0.008 0.000 1.153 503 V HN 1.240 nan 8.190 nan 0.000 0.433 504 T N -2.335 112.232 114.554 0.022 0.000 2.434 504 T HA -0.090 4.260 4.350 -0.000 0.000 0.533 504 T C -0.046 174.670 174.700 0.027 0.000 0.845 504 T CA 0.422 62.539 62.100 0.027 0.000 2.823 504 T CB -2.559 66.320 68.868 0.019 0.000 1.804 504 T HN 1.166 nan 8.240 nan 0.000 0.572 505 D N 0.471 120.892 120.400 0.036 0.000 3.077 505 D HA -0.124 4.515 4.640 -0.000 0.000 0.217 505 D C 0.323 176.637 176.300 0.022 0.000 1.162 505 D CA 1.809 55.826 54.000 0.029 0.000 0.943 505 D CB -0.231 40.580 40.800 0.017 0.000 1.122 505 D HN 0.889 nan 8.370 nan 0.000 0.413 506 E N 0.203 120.417 120.200 0.024 0.000 2.346 506 E HA 0.378 4.727 4.350 -0.000 0.000 0.317 506 E C 1.396 178.008 176.600 0.021 0.000 1.404 506 E CA 0.115 56.527 56.400 0.019 0.000 1.534 506 E CB 0.218 29.928 29.700 0.018 0.000 1.309 506 E HN 0.612 nan 8.360 nan 0.000 0.499 507 L N -0.850 120.385 121.223 0.020 0.000 1.344 507 L HA -0.109 4.230 4.340 -0.000 0.000 0.042 507 L C -0.575 176.306 176.870 0.019 0.000 1.683 507 L CA 0.313 55.164 54.840 0.019 0.000 1.025 507 L CB -0.264 41.810 42.059 0.025 0.000 1.890 507 L HN 0.126 nan 8.230 nan 0.000 0.402 508 T N 1.864 116.434 114.554 0.027 0.000 2.875 508 T HA 0.463 4.813 4.350 -0.000 0.000 0.284 508 T C 0.305 175.021 174.700 0.025 0.000 0.995 508 T CA 0.165 62.280 62.100 0.025 0.000 1.060 508 T CB 1.758 70.646 68.868 0.034 0.000 0.967 508 T HN 0.352 nan 8.240 nan 0.000 0.476 509 L N 2.725 123.955 121.223 0.011 0.000 2.296 509 L HA 0.339 4.679 4.340 -0.000 0.000 0.219 509 L C 1.507 178.385 176.870 0.012 0.000 1.196 509 L CA 1.428 56.271 54.840 0.004 0.000 2.661 509 L CB -0.157 41.894 42.059 -0.014 0.000 2.461 509 L HN 0.759 nan 8.230 nan 0.000 1.064 510 E N -2.448 117.747 120.200 -0.009 0.000 2.626 510 E HA 0.093 4.442 4.350 -0.000 0.000 0.198 510 E C 0.622 177.205 176.600 -0.028 0.000 0.943 510 E CA -0.011 56.394 56.400 0.007 0.000 1.515 510 E CB 0.069 29.750 29.700 -0.032 0.000 1.677 510 E HN 0.554 nan 8.360 nan 0.000 0.897 511 Q N 1.316 121.090 119.800 -0.044 0.000 1.329 511 Q HA -0.135 4.205 4.340 -0.000 0.000 0.061 511 Q C -0.487 175.459 176.000 -0.090 0.000 0.577 511 Q CA 0.409 56.174 55.803 -0.064 0.000 1.114 511 Q CB -0.797 27.915 28.738 -0.043 0.000 1.348 511 Q HN 0.270 nan 8.270 nan 0.000 0.254 512 L N -1.096 120.027 121.223 -0.166 0.000 2.440 512 L HA 0.376 4.716 4.340 -0.000 0.000 0.262 512 L C -1.588 175.045 176.870 -0.395 0.000 1.072 512 L CA -2.230 52.455 54.840 -0.259 0.000 0.798 512 L CB 0.010 41.865 42.059 -0.340 0.000 1.307 512 L HN -0.079 nan 8.230 nan 0.000 0.475 513 P HA -0.009 nan 4.420 nan 0.000 0.269 513 P C 1.045 177.802 177.300 -0.905 0.000 1.461 513 P CA 0.203 63.050 63.100 -0.423 0.000 0.809 513 P CB -0.308 31.319 31.700 -0.122 0.000 1.503 514 T N -2.122 111.626 114.554 -1.343 0.000 2.653 514 T HA -0.293 4.057 4.350 -0.000 0.000 0.268 514 T C 1.783 176.131 174.700 -0.587 0.000 1.035 514 T CA 1.415 62.583 62.100 -1.553 0.000 1.154 514 T CB -1.152 66.927 68.868 -1.315 0.000 0.862 514 T HN 0.112 nan 8.240 nan 0.000 0.441 515 A N 0.948 123.579 122.820 -0.316 0.000 2.272 515 A HA -0.002 4.318 4.320 -0.000 0.000 0.213 515 A C 2.022 179.578 177.584 -0.047 0.000 1.183 515 A CA 1.163 53.141 52.037 -0.099 0.000 0.719 515 A CB -0.634 18.326 19.000 -0.067 0.000 0.771 515 A HN 0.803 nan 8.150 nan 0.000 0.484 516 Q N -2.410 117.341 119.800 -0.082 0.000 2.140 516 Q HA 0.070 4.410 4.340 -0.000 0.000 0.227 516 Q C -0.825 175.293 176.000 0.196 0.000 0.798 516 Q CA -0.614 55.217 55.803 0.047 0.000 0.987 516 Q CB 0.482 29.237 28.738 0.028 0.000 1.161 516 Q HN 0.705 nan 8.270 nan 0.000 0.480 517 W N 3.611 124.845 121.300 -0.111 0.000 2.368 517 W HA 0.124 4.783 4.660 -0.001 0.000 0.316 517 W C 0.978 177.564 176.519 0.112 0.000 1.375 517 W CA -0.520 56.719 57.345 -0.176 0.000 1.261 517 W CB 0.109 29.102 29.460 -0.779 0.000 1.298 517 W HN -0.035 nan 8.180 nan 0.000 0.539 518 T N 1.776 116.512 114.554 0.303 0.000 2.828 518 T HA 0.089 4.439 4.350 -0.000 0.000 0.290 518 T C 1.327 176.250 174.700 0.372 0.000 1.019 518 T CA -0.891 61.393 62.100 0.306 0.000 1.031 518 T CB 1.038 70.067 68.868 0.269 0.000 1.001 518 T HN 0.394 nan 8.240 nan 0.000 0.531 519 L N 1.276 122.627 121.223 0.212 0.000 1.997 519 L HA -0.206 4.133 4.340 -0.000 0.000 0.216 519 L C 2.375 179.255 176.870 0.017 0.000 1.074 519 L CA 2.456 57.323 54.840 0.044 0.000 0.763 519 L CB -1.688 40.254 42.059 -0.196 0.000 0.890 519 L HN 0.894 nan 8.230 nan 0.000 0.434 520 H N -0.034 119.140 119.070 0.172 0.000 2.426 520 H HA -0.175 4.380 4.556 -0.000 0.000 0.298 520 H C 2.029 177.517 175.328 0.266 0.000 1.107 520 H CA 1.650 57.839 56.048 0.235 0.000 1.298 520 H CB -0.209 29.670 29.762 0.194 0.000 1.377 520 H HN 0.489 nan 8.280 nan 0.000 0.519 521 E N -1.096 119.233 120.200 0.217 0.000 2.478 521 E HA -0.106 4.244 4.350 -0.000 0.000 0.198 521 E C 0.897 177.225 176.600 -0.454 0.000 1.046 521 E CA 0.366 56.656 56.400 -0.183 0.000 0.870 521 E CB 0.033 29.456 29.700 -0.463 0.000 0.818 521 E HN 0.589 nan 8.360 nan 0.000 0.527 522 W N -0.902 120.289 121.300 -0.181 0.000 2.915 522 W HA 0.224 4.884 4.660 -0.001 0.000 0.276 522 W C 1.377 177.875 176.519 -0.036 0.000 1.215 522 W CA -0.124 57.162 57.345 -0.098 0.000 1.514 522 W CB 0.552 30.000 29.460 -0.020 0.000 1.017 522 W HN 0.008 nan 8.180 nan 0.000 0.598 523 L N -1.238 120.078 121.223 0.155 0.000 2.168 523 L HA -0.049 4.291 4.340 -0.000 0.000 0.203 523 L C 2.172 179.008 176.870 -0.057 0.000 1.078 523 L CA 1.042 55.929 54.840 0.079 0.000 0.780 523 L CB -1.002 41.102 42.059 0.076 0.000 0.939 523 L HN -0.027 nan 8.230 nan 0.000 0.451 524 H N -0.094 118.776 119.070 -0.333 0.000 2.353 524 H HA -0.281 4.275 4.556 -0.000 0.000 0.298 524 H C 2.019 177.149 175.328 -0.331 0.000 1.103 524 H CA 2.324 58.053 56.048 -0.533 0.000 1.293 524 H CB -0.055 28.953 29.762 -1.256 0.000 1.372 524 H HN 0.256 nan 8.280 nan 0.000 0.501 525 F N 0.291 120.032 119.950 -0.348 0.000 2.051 525 F HA -0.165 4.362 4.527 -0.001 0.000 0.296 525 F C 2.156 177.902 175.800 -0.091 0.000 1.122 525 F CA 1.784 59.615 58.000 -0.280 0.000 1.201 525 F CB -0.254 38.484 39.000 -0.436 0.000 0.978 525 F HN 0.108 nan 8.300 nan 0.000 0.472 526 I N 0.354 120.953 120.570 0.047 0.000 2.286 526 I HA -0.312 3.858 4.170 -0.000 0.000 0.248 526 I C 1.526 177.582 176.117 -0.100 0.000 1.115 526 I CA 1.883 63.202 61.300 0.031 0.000 1.392 526 I CB -0.634 37.509 38.000 0.238 0.000 1.065 526 I HN 0.230 nan 8.210 nan 0.000 0.418 527 N N -0.064 118.551 118.700 -0.142 0.000 2.356 527 N HA 0.031 4.770 4.740 -0.000 0.000 0.178 527 N C 1.156 176.529 175.510 -0.229 0.000 1.075 527 N CA 0.196 53.151 53.050 -0.158 0.000 0.889 527 N CB 0.239 38.653 38.487 -0.121 0.000 0.999 527 N HN 0.222 nan 8.380 nan 0.000 0.464 528 N N 0.168 118.668 118.700 -0.332 0.000 2.270 528 N HA 0.110 4.850 4.740 -0.000 0.000 0.198 528 N C -0.586 174.767 175.510 -0.261 0.000 1.117 528 N CA 0.014 52.863 53.050 -0.335 0.000 0.845 528 N CB 0.812 38.984 38.487 -0.524 0.000 0.980 528 N HN 0.191 nan 8.380 nan 0.000 0.486 529 L N 2.094 123.150 121.223 -0.279 0.000 2.417 529 L HA 0.246 4.586 4.340 -0.000 0.000 0.268 529 L C -2.000 174.769 176.870 -0.167 0.000 1.158 529 L CA -1.419 53.258 54.840 -0.271 0.000 0.819 529 L CB 0.284 42.147 42.059 -0.325 0.000 1.112 529 L HN -0.228 nan 8.230 nan 0.000 0.458 530 P HA -0.017 nan 4.420 nan 0.000 0.267 530 P C 0.350 177.601 177.300 -0.081 0.000 1.205 530 P CA -0.283 62.764 63.100 -0.087 0.000 0.765 530 P CB 0.612 32.275 31.700 -0.063 0.000 0.828 531 V N 1.424 121.296 119.914 -0.070 0.000 3.593 531 V HA -0.011 4.108 4.120 -0.000 0.000 0.275 531 V C 0.404 176.468 176.094 -0.049 0.000 1.237 531 V CA 1.195 63.457 62.300 -0.064 0.000 1.194 531 V CB -1.452 30.336 31.823 -0.057 0.000 0.949 531 V HN 0.531 nan 8.190 nan 0.000 0.467 540 N N 1.437 120.134 118.700 -0.005 0.000 2.036 540 N HA -0.113 4.627 4.740 -0.000 0.000 0.195 540 N C 1.691 177.125 175.510 -0.126 0.000 1.037 540 N CA 2.184 55.199 53.050 -0.058 0.000 0.855 540 N CB -0.351 38.120 38.487 -0.026 0.000 1.033 540 N HN 0.456 nan 8.380 nan 0.000 0.423 541 L N 0.382 121.593 121.223 -0.020 0.000 1.937 541 L HA -0.217 4.123 4.340 -0.000 0.000 0.213 541 L C 2.116 178.945 176.870 -0.069 0.000 1.077 541 L CA 1.839 56.701 54.840 0.037 0.000 0.758 541 L CB -0.764 41.449 42.059 0.256 0.000 0.888 541 L HN 0.181 nan 8.230 nan 0.000 0.433 542 D N -0.019 120.381 120.400 0.001 0.000 2.116 542 D HA -0.268 4.372 4.640 -0.000 0.000 0.193 542 D C 2.064 178.361 176.300 -0.005 0.000 0.998 542 D CA 1.533 55.541 54.000 0.013 0.000 0.836 542 D CB 0.067 41.110 40.800 0.404 0.000 0.951 542 D HN -0.074 nan 8.370 nan 0.000 0.449 543 K N 0.118 120.517 120.400 -0.001 0.000 2.217 543 K HA 0.132 4.452 4.320 -0.000 0.000 0.202 543 K C 1.664 178.185 176.600 -0.130 0.000 1.051 543 K CA 1.207 57.475 56.287 -0.031 0.000 0.952 543 K CB -0.615 31.885 32.500 -0.001 0.000 0.736 543 K HN 0.161 nan 8.250 nan 0.000 0.453 544 A N -0.282 122.367 122.820 -0.285 0.000 1.832 544 A HA -0.018 4.302 4.320 -0.000 0.000 0.214 544 A C 1.742 179.115 177.584 -0.352 0.000 1.204 544 A CA 1.434 53.187 52.037 -0.474 0.000 0.606 544 A CB -0.672 17.773 19.000 -0.926 0.000 0.849 544 A HN 0.287 nan 8.150 nan 0.000 0.445 545 F N -0.416 119.507 119.950 -0.046 0.000 2.698 545 F HA 0.184 4.711 4.527 -0.000 0.000 0.295 545 F C 0.589 176.274 175.800 -0.192 0.000 1.124 545 F CA -0.238 57.714 58.000 -0.081 0.000 1.426 545 F CB -0.304 38.709 39.000 0.021 0.000 1.120 545 F HN 0.341 nan 8.300 nan 0.000 0.583 546 D N 1.472 121.843 120.400 -0.048 0.000 3.082 546 D HA -0.183 4.457 4.640 -0.000 0.000 0.234 546 D C 0.407 176.549 176.300 -0.263 0.000 1.159 546 D CA 0.158 54.095 54.000 -0.105 0.000 0.875 546 D CB -0.609 40.165 40.800 -0.044 0.000 0.946 546 D HN 0.182 nan 8.370 nan 0.000 0.411 547 L N 1.913 122.790 121.223 -0.577 0.000 2.492 547 L HA 0.056 4.396 4.340 -0.000 0.000 0.223 547 L C 2.673 179.121 176.870 -0.702 0.000 1.132 547 L CA 0.897 55.191 54.840 -0.911 0.000 0.850 547 L CB -0.355 40.706 42.059 -1.664 0.000 0.966 547 L HN 0.199 nan 8.230 nan 0.000 0.454 548 T N -0.307 114.114 114.554 -0.222 0.000 2.668 548 T HA -0.140 4.210 4.350 -0.000 0.000 0.262 548 T C 1.328 176.150 174.700 0.203 0.000 1.045 548 T CA 1.632 63.941 62.100 0.348 0.000 1.152 548 T CB -0.324 68.845 68.868 0.502 0.000 0.864 548 T HN 0.431 nan 8.240 nan 0.000 0.419 549 N N 1.806 120.560 118.700 0.091 0.000 2.322 549 N HA 0.113 4.852 4.740 -0.000 0.000 0.216 549 N C -0.117 175.390 175.510 -0.005 0.000 1.144 549 N CA -0.459 52.635 53.050 0.074 0.000 0.830 549 N CB 0.170 38.696 38.487 0.064 0.000 1.034 549 N HN 0.321 nan 8.380 nan 0.000 0.484 550 S N -0.474 115.173 115.700 -0.089 0.000 2.546 550 S HA -0.024 4.446 4.470 -0.000 0.000 0.290 550 S C 1.337 175.884 174.600 -0.088 0.000 1.290 550 S CA -0.560 57.542 58.200 -0.164 0.000 1.069 550 S CB 1.749 64.776 63.200 -0.289 0.000 0.846 550 S HN 0.168 nan 8.310 nan 0.000 0.495 551 S N 2.773 118.419 115.700 -0.090 0.000 2.361 551 S HA -0.144 4.325 4.470 -0.000 0.000 0.214 551 S C 1.066 175.649 174.600 -0.027 0.000 1.034 551 S CA 0.694 58.870 58.200 -0.039 0.000 1.025 551 S CB -0.797 62.372 63.200 -0.052 0.000 0.996 551 S HN 0.904 nan 8.310 nan 0.000 0.422 552 N N 1.352 120.010 118.700 -0.070 0.000 2.294 552 N HA -0.007 4.733 4.740 -0.000 0.000 0.263 552 N C 0.904 176.405 175.510 -0.015 0.000 1.281 552 N CA 0.698 53.719 53.050 -0.049 0.000 0.846 552 N CB 1.019 39.447 38.487 -0.099 0.000 1.061 552 N HN 0.438 nan 8.380 nan 0.000 0.478 553 A N 5.092 127.950 122.820 0.062 0.000 1.933 553 A HA -0.144 4.175 4.320 -0.000 0.000 0.218 553 A C 1.872 179.529 177.584 0.123 0.000 1.175 553 A CA 1.090 53.229 52.037 0.170 0.000 0.628 553 A CB -0.274 18.856 19.000 0.217 0.000 0.814 553 A HN 0.804 nan 8.150 nan 0.000 0.444 554 E N -0.006 120.231 120.200 0.061 0.000 2.070 554 E HA -0.194 4.156 4.350 -0.000 0.000 0.197 554 E C 2.045 178.666 176.600 0.036 0.000 1.004 554 E CA 1.148 57.583 56.400 0.059 0.000 0.805 554 E CB -0.423 29.285 29.700 0.013 0.000 0.744 554 E HN 0.534 nan 8.360 nan 0.000 0.451 555 I N 1.246 121.786 120.570 -0.050 0.000 2.076 555 I HA -0.262 3.908 4.170 -0.000 0.000 0.237 555 I C 2.543 178.555 176.117 -0.175 0.000 1.059 555 I CA 1.357 62.587 61.300 -0.117 0.000 1.317 555 I CB -1.635 36.221 38.000 -0.241 0.000 1.037 555 I HN -0.016 nan 8.210 nan 0.000 0.398 556 A N -0.264 122.396 122.820 -0.266 0.000 1.997 556 A HA -0.317 4.002 4.320 -0.000 0.000 0.221 556 A C 2.265 179.344 177.584 -0.842 0.000 1.172 556 A CA 2.449 54.122 52.037 -0.607 0.000 0.645 556 A CB -1.115 17.540 19.000 -0.575 0.000 0.813 556 A HN 0.666 nan 8.150 nan 0.000 0.454 557 H N -0.389 118.423 119.070 -0.430 0.000 2.284 557 H HA 0.160 4.716 4.556 -0.000 0.000 0.304 557 H C 2.225 177.470 175.328 -0.139 0.000 1.069 557 H CA 2.004 57.916 56.048 -0.227 0.000 1.327 557 H CB -0.515 29.257 29.762 0.017 0.000 1.387 557 H HN 0.332 nan 8.280 nan 0.000 0.498 558 A N 1.351 124.069 122.820 -0.171 0.000 1.948 558 A HA -0.231 4.089 4.320 -0.000 0.000 0.220 558 A C 2.523 180.071 177.584 -0.061 0.000 1.177 558 A CA 1.636 53.592 52.037 -0.134 0.000 0.636 558 A CB -1.653 17.360 19.000 0.022 0.000 0.815 558 A HN 0.833 nan 8.150 nan 0.000 0.449 559 W N -0.377 120.741 121.300 -0.304 0.000 2.353 559 W HA -0.254 4.406 4.660 -0.000 0.000 0.319 559 W C 1.943 178.357 176.519 -0.175 0.000 1.207 559 W CA 1.836 59.032 57.345 -0.250 0.000 1.291 559 W CB -0.404 28.846 29.460 -0.349 0.000 1.159 559 W HN 0.478 nan 8.180 nan 0.000 0.478 560 Y N 0.680 120.858 120.300 -0.203 0.000 2.207 560 Y HA -0.268 4.282 4.550 -0.000 0.000 0.287 560 Y C 2.450 178.145 175.900 -0.343 0.000 1.156 560 Y CA 1.208 59.094 58.100 -0.357 0.000 1.182 560 Y CB -1.810 36.485 38.460 -0.274 0.000 0.979 560 Y HN -0.014 nan 8.280 nan 0.000 0.521 561 L N -0.201 120.903 121.223 -0.198 0.000 1.990 561 L HA -0.213 4.127 4.340 -0.000 0.000 0.213 561 L C 2.332 179.097 176.870 -0.175 0.000 1.072 561 L CA 1.551 56.260 54.840 -0.218 0.000 0.755 561 L CB -1.156 40.703 42.059 -0.334 0.000 0.889 561 L HN 0.259 nan 8.230 nan 0.000 0.432 562 L N -1.209 119.901 121.223 -0.188 0.000 1.994 562 L HA -0.167 4.172 4.340 -0.000 0.000 0.208 562 L C 2.489 179.216 176.870 -0.238 0.000 1.071 562 L CA 2.023 56.755 54.840 -0.180 0.000 0.745 562 L CB -0.868 41.108 42.059 -0.138 0.000 0.892 562 L HN 0.333 nan 8.230 nan 0.000 0.431 563 S N -0.844 114.622 115.700 -0.390 0.000 2.414 563 S HA -0.297 4.172 4.470 -0.000 0.000 0.225 563 S C 1.912 176.430 174.600 -0.137 0.000 1.041 563 S CA 1.892 59.889 58.200 -0.338 0.000 1.114 563 S CB -1.104 61.834 63.200 -0.436 0.000 1.064 563 S HN 0.431 nan 8.310 nan 0.000 0.420 564 V N 2.395 122.223 119.914 -0.144 0.000 2.363 564 V HA -0.309 3.811 4.120 -0.000 0.000 0.254 564 V C 2.379 178.454 176.094 -0.032 0.000 1.074 564 V CA 2.051 64.311 62.300 -0.067 0.000 1.069 564 V CB -0.524 31.218 31.823 -0.135 0.000 0.659 564 V HN 0.361 nan 8.190 nan 0.000 0.455 565 R N 0.025 120.487 120.500 -0.064 0.000 2.075 565 R HA -0.059 4.281 4.340 -0.000 0.000 0.230 565 R C 2.200 178.477 176.300 -0.038 0.000 1.140 565 R CA 1.643 57.714 56.100 -0.048 0.000 0.928 565 R CB -0.700 29.560 30.300 -0.066 0.000 0.834 565 R HN 0.555 nan 8.270 nan 0.000 0.429 566 A N 0.993 123.781 122.820 -0.054 0.000 2.252 566 A HA -0.009 4.311 4.320 -0.000 0.000 0.207 566 A C -0.493 177.086 177.584 -0.008 0.000 1.194 566 A CA 0.464 52.478 52.037 -0.038 0.000 0.809 566 A CB -0.279 18.686 19.000 -0.058 0.000 0.814 566 A HN 0.490 nan 8.150 nan 0.000 0.482 567 D N -2.736 117.663 120.400 -0.001 0.000 2.828 567 D HA -0.220 4.420 4.640 -0.000 0.000 0.241 567 D C -0.431 175.899 176.300 0.049 0.000 1.142 567 D CA 0.739 54.749 54.000 0.017 0.000 0.755 567 D CB -1.692 39.101 40.800 -0.011 0.000 1.014 567 D HN 0.578 nan 8.370 nan 0.000 0.420 568 Y N 0.916 121.161 120.300 -0.091 0.000 2.812 568 Y HA 0.254 4.804 4.550 -0.000 0.000 0.354 568 Y C 1.183 177.059 175.900 -0.040 0.000 1.276 568 Y CA -1.094 56.945 58.100 -0.102 0.000 1.639 568 Y CB -0.128 38.206 38.460 -0.210 0.000 1.741 568 Y HN -0.016 nan 8.280 nan 0.000 0.479 569 K N -0.304 119.982 120.400 -0.190 0.000 2.304 569 K HA -0.290 4.030 4.320 -0.000 0.000 0.204 569 K C 1.411 177.826 176.600 -0.308 0.000 1.044 569 K CA 1.920 58.035 56.287 -0.287 0.000 0.932 569 K CB -0.272 31.954 32.500 -0.456 0.000 0.735 569 K HN 0.423 nan 8.250 nan 0.000 0.468 570 E N 1.018 120.849 120.200 -0.614 0.000 2.209 570 E HA -0.115 4.235 4.350 -0.000 0.000 0.196 570 E C 1.366 177.791 176.600 -0.292 0.000 0.993 570 E CA 1.193 57.262 56.400 -0.552 0.000 0.819 570 E CB -0.032 29.184 29.700 -0.806 0.000 0.745 570 E HN 0.377 nan 8.360 nan 0.000 0.477 571 V N -1.413 118.350 119.914 -0.252 0.000 3.577 571 V HA 0.093 4.213 4.120 -0.000 0.000 0.294 571 V C 1.263 177.257 176.094 -0.166 0.000 1.317 571 V CA 0.082 62.367 62.300 -0.026 0.000 1.169 571 V CB -1.064 30.840 31.823 0.135 0.000 1.011 571 V HN 0.057 nan 8.190 nan 0.000 0.426 572 Y N 2.157 122.254 120.300 -0.338 0.000 2.145 572 Y HA 0.020 4.570 4.550 -0.000 0.000 0.286 572 Y C 0.624 176.484 175.900 -0.067 0.000 1.145 572 Y CA 2.321 60.154 58.100 -0.444 0.000 1.148 572 Y CB -1.614 36.387 38.460 -0.765 0.000 0.981 572 Y HN 0.364 nan 8.280 nan 0.000 0.507 573 P HA -0.187 nan 4.420 nan 0.000 0.214 573 P C 1.348 178.714 177.300 0.110 0.000 1.162 573 P CA 2.280 65.476 63.100 0.160 0.000 0.879 573 P CB -0.128 31.634 31.700 0.104 0.000 0.786 574 A N -0.012 122.843 122.820 0.058 0.000 1.978 574 A HA -0.164 4.156 4.320 -0.000 0.000 0.220 574 A C 2.448 179.985 177.584 -0.078 0.000 1.170 574 A CA 1.950 54.031 52.037 0.074 0.000 0.636 574 A CB -1.530 17.580 19.000 0.182 0.000 0.810 574 A HN 0.165 nan 8.150 nan 0.000 0.448 575 M N -0.707 118.630 119.600 -0.438 0.000 2.229 575 M HA -0.067 4.413 4.480 -0.000 0.000 0.264 575 M C 2.251 178.513 176.300 -0.062 0.000 1.063 575 M CA 1.322 56.171 55.300 -0.753 0.000 1.114 575 M CB -0.274 31.813 32.600 -0.856 0.000 1.387 575 M HN 0.461 nan 8.290 nan 0.000 0.420 576 A N 0.723 123.620 122.820 0.127 0.000 1.845 576 A HA -0.232 4.088 4.320 -0.000 0.000 0.215 576 A C 2.133 179.763 177.584 0.077 0.000 1.195 576 A CA 2.064 54.170 52.037 0.114 0.000 0.616 576 A CB -0.842 18.296 19.000 0.230 0.000 0.832 576 A HN 0.530 nan 8.150 nan 0.000 0.443 577 K N -1.891 118.574 120.400 0.108 0.000 2.113 577 K HA -0.229 4.091 4.320 -0.000 0.000 0.208 577 K C 1.909 178.600 176.600 0.151 0.000 1.047 577 K CA 1.892 58.245 56.287 0.110 0.000 0.928 577 K CB -0.356 32.215 32.500 0.118 0.000 0.716 577 K HN 0.583 nan 8.250 nan 0.000 0.446 578 Y N 1.299 121.636 120.300 0.061 0.000 2.145 578 Y HA -0.210 4.340 4.550 -0.001 0.000 0.286 578 Y C 1.786 177.739 175.900 0.088 0.000 1.145 578 Y CA 1.559 59.727 58.100 0.113 0.000 1.148 578 Y CB -0.191 38.395 38.460 0.211 0.000 0.981 578 Y HN -0.009 nan 8.280 nan 0.000 0.507 579 L N -0.039 121.263 121.223 0.132 0.000 2.046 579 L HA -0.243 4.097 4.340 -0.000 0.000 0.208 579 L C 2.314 179.269 176.870 0.141 0.000 1.077 579 L CA 1.836 56.701 54.840 0.042 0.000 0.747 579 L CB -0.472 41.551 42.059 -0.061 0.000 0.896 579 L HN 0.168 nan 8.230 nan 0.000 0.432 580 K N -0.708 119.745 120.400 0.089 0.000 2.103 580 K HA -0.051 4.269 4.320 -0.000 0.000 0.204 580 K C 2.232 178.880 176.600 0.081 0.000 1.052 580 K CA 1.238 57.564 56.287 0.064 0.000 0.945 580 K CB -0.065 32.439 32.500 0.007 0.000 0.722 580 K HN 0.147 nan 8.250 nan 0.000 0.443 581 S N 1.363 117.095 115.700 0.053 0.000 2.343 581 S HA -0.029 4.441 4.470 -0.000 0.000 0.212 581 S C 1.118 175.736 174.600 0.029 0.000 1.033 581 S CA 0.541 58.760 58.200 0.032 0.000 1.004 581 S CB -0.193 63.017 63.200 0.018 0.000 0.977 581 S HN 0.330 nan 8.310 nan 0.000 0.427 582 I N 0.719 121.239 120.570 -0.083 0.000 2.532 582 I HA 0.501 4.671 4.170 -0.000 0.000 0.292 582 I C 0.705 176.769 176.117 -0.088 0.000 1.014 582 I CA -0.212 61.020 61.300 -0.113 0.000 1.340 582 I CB 1.312 39.151 38.000 -0.267 0.000 1.422 582 I HN 0.312 nan 8.210 nan 0.000 0.528 583 G N 6.512 115.248 108.800 -0.107 0.000 3.596 583 G HA2 0.126 4.086 3.960 -0.000 0.000 0.274 583 G HA3 0.126 4.086 3.960 -0.000 0.000 0.274 583 G C 0.475 175.174 174.900 -0.336 0.000 1.007 583 G CA -0.507 44.399 45.100 -0.323 0.000 0.825 583 G HN 0.676 nan 8.290 nan 0.000 0.508 584 R N 0.913 121.263 120.500 -0.250 0.000 2.449 584 R HA 0.247 4.586 4.340 -0.000 0.000 0.296 584 R C 1.374 177.471 176.300 -0.338 0.000 1.047 584 R CA -0.310 55.631 56.100 -0.264 0.000 1.018 584 R CB 0.481 30.678 30.300 -0.171 0.000 0.962 584 R HN 0.176 nan 8.270 nan 0.000 0.428 585 R N 2.470 122.718 120.500 -0.419 0.000 2.082 585 R HA -0.122 4.217 4.340 -0.000 0.000 0.228 585 R C 1.076 177.184 176.300 -0.320 0.000 1.140 585 R CA 1.477 57.338 56.100 -0.399 0.000 0.920 585 R CB -0.276 29.699 30.300 -0.542 0.000 0.828 585 R HN 0.496 nan 8.270 nan 0.000 0.430 586 K N 1.431 121.623 120.400 -0.348 0.000 3.443 586 K HA -0.115 4.205 4.320 -0.000 0.000 0.290 586 K C -0.138 176.260 176.600 -0.336 0.000 0.785 586 K CA 0.559 56.668 56.287 -0.298 0.000 1.004 586 K CB -0.058 32.277 32.500 -0.274 0.000 1.084 586 K HN 0.054 nan 8.250 nan 0.000 0.366 587 L N 0.600 121.625 121.223 -0.329 0.000 4.368 587 L HA 0.147 4.487 4.340 -0.000 0.000 0.430 587 L C 0.499 177.333 176.870 -0.061 0.000 1.098 587 L CA 0.263 54.885 54.840 -0.363 0.000 1.557 587 L CB 0.547 42.482 42.059 -0.206 0.000 1.638 587 L HN 0.382 nan 8.230 nan 0.000 0.622 588 I N -7.044 113.468 120.570 -0.097 0.000 4.866 588 I HA 0.215 4.384 4.170 -0.000 0.000 0.325 588 I C 1.442 177.537 176.117 -0.038 0.000 1.240 588 I CA 0.117 61.371 61.300 -0.075 0.000 1.355 588 I CB 0.022 37.924 38.000 -0.164 0.000 1.395 588 I HN -0.223 nan 8.210 nan 0.000 0.479 589 V N 3.608 123.504 119.914 -0.031 0.000 2.214 589 V HA -0.142 3.978 4.120 -0.000 0.000 0.247 589 V C -0.019 176.115 176.094 0.067 0.000 1.051 589 V CA 3.131 65.441 62.300 0.017 0.000 1.003 589 V CB -2.019 29.753 31.823 -0.085 0.000 0.635 589 V HN 0.347 nan 8.190 nan 0.000 0.447 590 P HA -0.158 nan 4.420 nan 0.000 0.219 590 P C 1.844 179.213 177.300 0.115 0.000 1.146 590 P CA 1.370 64.534 63.100 0.106 0.000 0.808 590 P CB 0.005 31.802 31.700 0.162 0.000 0.779 591 L N -1.328 119.975 121.223 0.134 0.000 2.027 591 L HA -0.107 4.233 4.340 -0.000 0.000 0.206 591 L C 2.664 179.548 176.870 0.024 0.000 1.074 591 L CA 1.802 56.671 54.840 0.047 0.000 0.745 591 L CB -1.701 40.378 42.059 0.033 0.000 0.898 591 L HN -0.148 nan 8.230 nan 0.000 0.433 592 Y N 0.000 120.336 120.300 0.060 0.000 2.333 592 Y HA -0.207 4.343 4.550 -0.001 0.000 0.290 592 Y C 2.319 178.224 175.900 0.008 0.000 1.144 592 Y CA 0.913 59.023 58.100 0.017 0.000 1.228 592 Y CB -0.523 37.903 38.460 -0.057 0.000 0.985 592 Y HN 0.225 nan 8.280 nan 0.000 0.542 593 K N -0.215 120.279 120.400 0.156 0.000 1.975 593 K HA -0.136 4.184 4.320 -0.000 0.000 0.210 593 K C 1.959 178.607 176.600 0.080 0.000 1.041 593 K CA 1.300 57.641 56.287 0.090 0.000 0.942 593 K CB -0.213 32.323 32.500 0.060 0.000 0.729 593 K HN 0.104 nan 8.250 nan 0.000 0.439 594 E N 1.171 121.410 120.200 0.064 0.000 2.097 594 E HA -0.216 4.134 4.350 -0.000 0.000 0.196 594 E C 2.087 178.731 176.600 0.074 0.000 1.000 594 E CA 0.999 57.427 56.400 0.046 0.000 0.804 594 E CB -0.287 29.421 29.700 0.014 0.000 0.740 594 E HN 0.114 nan 8.360 nan 0.000 0.454 595 L N 0.700 121.990 121.223 0.111 0.000 2.017 595 L HA -0.075 4.265 4.340 -0.000 0.000 0.208 595 L C 1.293 178.273 176.870 0.183 0.000 1.073 595 L CA 1.642 56.589 54.840 0.177 0.000 0.745 595 L CB -0.578 41.638 42.059 0.261 0.000 0.894 595 L HN -0.027 nan 8.230 nan 0.000 0.432 596 A N -0.668 122.245 122.820 0.156 0.000 3.091 596 A HA 0.294 4.614 4.320 -0.000 0.000 0.264 596 A C 0.801 178.430 177.584 0.076 0.000 1.673 596 A CA -0.023 52.081 52.037 0.112 0.000 1.362 596 A CB -0.614 18.432 19.000 0.077 0.000 1.137 596 A HN 0.449 nan 8.150 nan 0.000 0.617 597 K N 0.172 120.617 120.400 0.075 0.000 2.614 597 K HA 0.129 4.449 4.320 -0.000 0.000 0.190 597 K C -0.433 176.196 176.600 0.047 0.000 1.255 597 K CA -0.072 56.245 56.287 0.051 0.000 1.099 597 K CB 0.485 33.011 32.500 0.042 0.000 1.023 597 K HN 0.562 nan 8.250 nan 0.000 0.576 598 N N 0.543 119.279 118.700 0.060 0.000 2.594 598 N HA 0.165 4.904 4.740 -0.000 0.000 0.280 598 N C 0.360 175.906 175.510 0.061 0.000 1.156 598 N CA 0.135 53.215 53.050 0.049 0.000 0.831 598 N CB 1.508 40.026 38.487 0.052 0.000 1.379 598 N HN 0.059 nan 8.380 nan 0.000 0.536 599 A N 2.691 125.539 122.820 0.048 0.000 2.023 599 A HA -0.258 4.061 4.320 -0.000 0.000 0.223 599 A C 1.784 179.406 177.584 0.063 0.000 1.180 599 A CA 2.057 54.124 52.037 0.050 0.000 0.659 599 A CB -0.395 18.625 19.000 0.034 0.000 0.817 599 A HN 0.870 nan 8.150 nan 0.000 0.466 600 E N -1.094 119.139 120.200 0.055 0.000 2.076 600 E HA -0.113 4.237 4.350 -0.000 0.000 0.190 600 E C 2.227 178.887 176.600 0.100 0.000 0.979 600 E CA 1.070 57.503 56.400 0.055 0.000 0.807 600 E CB -0.165 29.546 29.700 0.018 0.000 0.761 600 E HN 0.577 nan 8.360 nan 0.000 0.454 601 S N 0.485 116.253 115.700 0.114 0.000 2.345 601 S HA -0.158 4.312 4.470 -0.000 0.000 0.219 601 S C 1.989 176.758 174.600 0.281 0.000 1.031 601 S CA 1.474 59.799 58.200 0.209 0.000 0.984 601 S CB -0.247 63.062 63.200 0.182 0.000 0.874 601 S HN 0.246 nan 8.310 nan 0.000 0.451 602 K N 0.475 120.988 120.400 0.189 0.000 2.293 602 K HA -0.108 4.212 4.320 -0.000 0.000 0.204 602 K C 1.793 178.486 176.600 0.155 0.000 1.045 602 K CA 1.230 57.613 56.287 0.161 0.000 0.933 602 K CB -0.374 32.185 32.500 0.097 0.000 0.736 602 K HN 0.440 nan 8.250 nan 0.000 0.463 603 A N -0.053 122.868 122.820 0.168 0.000 1.935 603 A HA -0.100 4.220 4.320 -0.000 0.000 0.214 603 A C 1.741 179.444 177.584 0.199 0.000 1.178 603 A CA 0.671 52.795 52.037 0.145 0.000 0.640 603 A CB -0.810 18.260 19.000 0.117 0.000 0.825 603 A HN 0.666 nan 8.150 nan 0.000 0.447 604 W N 1.258 122.617 121.300 0.097 0.000 2.350 604 W HA -0.151 4.509 4.660 -0.001 0.000 0.289 604 W C 2.233 178.849 176.519 0.161 0.000 1.215 604 W CA 1.736 59.159 57.345 0.130 0.000 1.236 604 W CB -0.144 29.433 29.460 0.194 0.000 1.130 604 W HN 0.375 nan 8.180 nan 0.000 0.541 605 A N -0.029 122.907 122.820 0.194 0.000 1.828 605 A HA -0.225 4.095 4.320 -0.000 0.000 0.215 605 A C 2.080 179.663 177.584 -0.003 0.000 1.203 605 A CA 2.813 54.913 52.037 0.104 0.000 0.614 605 A CB -1.402 17.727 19.000 0.216 0.000 0.844 605 A HN 0.149 nan 8.150 nan 0.000 0.445 606 V N 0.566 120.491 119.914 0.017 0.000 2.363 606 V HA -0.309 3.811 4.120 -0.000 0.000 0.254 606 V C 2.570 178.651 176.094 -0.022 0.000 1.074 606 V CA 2.411 64.725 62.300 0.023 0.000 1.069 606 V CB -0.914 30.925 31.823 0.028 0.000 0.659 606 V HN 0.526 nan 8.190 nan 0.000 0.455 607 E N -0.005 120.158 120.200 -0.062 0.000 2.106 607 E HA -0.132 4.218 4.350 -0.000 0.000 0.192 607 E C 2.276 178.778 176.600 -0.162 0.000 0.984 607 E CA 1.698 58.039 56.400 -0.097 0.000 0.806 607 E CB -0.368 29.288 29.700 -0.074 0.000 0.750 607 E HN 0.708 nan 8.360 nan 0.000 0.458 608 V N -1.320 118.443 119.914 -0.252 0.000 2.500 608 V HA -0.074 4.046 4.120 -0.000 0.000 0.243 608 V C 2.188 178.234 176.094 -0.081 0.000 1.039 608 V CA 0.998 63.158 62.300 -0.234 0.000 1.053 608 V CB -1.018 30.539 31.823 -0.444 0.000 0.695 608 V HN 0.086 nan 8.190 nan 0.000 0.463 609 Y N 1.954 122.164 120.300 -0.151 0.000 2.651 609 Y HA 0.026 4.576 4.550 -0.001 0.000 0.296 609 Y C 1.998 177.768 175.900 -0.216 0.000 1.150 609 Y CA 1.320 59.297 58.100 -0.204 0.000 1.348 609 Y CB -0.283 37.930 38.460 -0.411 0.000 0.983 609 Y HN 0.236 nan 8.280 nan 0.000 0.555 610 K N -0.477 119.757 120.400 -0.277 0.000 2.379 610 K HA 0.040 4.360 4.320 -0.000 0.000 0.194 610 K C 1.769 178.196 176.600 -0.288 0.000 1.031 610 K CA 0.503 56.602 56.287 -0.313 0.000 1.037 610 K CB 0.175 32.571 32.500 -0.173 0.000 0.824 610 K HN 0.279 nan 8.250 nan 0.000 0.516 611 Q N -1.080 118.567 119.800 -0.254 0.000 2.304 611 Q HA 0.245 4.585 4.340 -0.000 0.000 0.204 611 Q C 1.759 177.595 176.000 -0.274 0.000 0.936 611 Q CA 1.179 56.856 55.803 -0.209 0.000 0.878 611 Q CB 0.098 28.752 28.738 -0.141 0.000 0.983 611 Q HN 0.197 nan 8.270 nan 0.000 0.516 612 A N 0.981 123.596 122.820 -0.342 0.000 2.178 612 A HA -0.027 4.293 4.320 -0.000 0.000 0.211 612 A C 1.990 178.925 177.584 -1.082 0.000 1.157 612 A CA 0.323 52.040 52.037 -0.533 0.000 0.780 612 A CB -0.095 18.728 19.000 -0.295 0.000 0.828 612 A HN 0.001 nan 8.150 nan 0.000 0.476 613 R N 0.900 120.849 120.500 -0.918 0.000 2.097 613 R HA -0.069 4.270 4.340 -0.000 0.000 0.236 613 R C -1.729 174.236 176.300 -0.558 0.000 1.135 613 R CA 1.397 56.923 56.100 -0.956 0.000 0.934 613 R CB -1.748 27.996 30.300 -0.926 0.000 0.846 613 R HN 0.343 nan 8.270 nan 0.000 0.431 614 P HA 0.133 nan 4.420 nan 0.000 0.276 614 P C 0.257 177.464 177.300 -0.155 0.000 1.243 614 P CA 1.167 64.144 63.100 -0.205 0.000 0.768 614 P CB 1.013 32.614 31.700 -0.165 0.000 0.856 615 G N 2.766 111.543 108.800 -0.039 0.000 2.436 615 G HA2 -0.208 3.752 3.960 -0.000 0.000 0.204 615 G HA3 -0.208 3.752 3.960 -0.000 0.000 0.204 615 G C -0.194 174.831 174.900 0.210 0.000 1.026 615 G CA -0.506 44.623 45.100 0.049 0.000 0.658 615 G HN 0.377 nan 8.290 nan 0.000 0.499 616 Y N 2.989 123.320 120.300 0.052 0.000 2.550 616 Y HA 0.396 4.945 4.550 -0.000 0.000 0.343 616 Y C 1.308 177.288 175.900 0.133 0.000 1.245 616 Y CA -0.749 57.414 58.100 0.104 0.000 1.462 616 Y CB 0.079 38.610 38.460 0.119 0.000 1.340 616 Y HN 0.346 nan 8.280 nan 0.000 0.604 617 H N 1.228 120.431 119.070 0.223 0.000 2.690 617 H HA 0.074 4.630 4.556 -0.001 0.000 0.365 617 H C 1.241 176.643 175.328 0.123 0.000 1.142 617 H CA 0.507 56.652 56.048 0.161 0.000 1.417 617 H CB 1.140 31.014 29.762 0.186 0.000 1.446 617 H HN 0.839 nan 8.280 nan 0.000 0.599 618 G N 3.925 112.830 108.800 0.174 0.000 2.513 618 G HA2 -0.245 3.714 3.960 -0.000 0.000 0.219 618 G HA3 -0.245 3.714 3.960 -0.000 0.000 0.219 618 G C 1.862 176.919 174.900 0.262 0.000 1.160 618 G CA 0.886 46.097 45.100 0.185 0.000 0.767 618 G HN 0.647 nan 8.290 nan 0.000 0.571 619 L N 0.485 121.961 121.223 0.422 0.000 2.349 619 L HA -0.052 4.287 4.340 -0.000 0.000 0.220 619 L C 3.148 180.019 176.870 0.002 0.000 1.130 619 L CA 0.777 55.698 54.840 0.134 0.000 0.791 619 L CB -0.289 41.797 42.059 0.044 0.000 0.918 619 L HN 0.379 nan 8.230 nan 0.000 0.444 620 A N -0.487 122.355 122.820 0.036 0.000 1.884 620 A HA -0.098 4.222 4.320 -0.000 0.000 0.212 620 A C 2.132 179.752 177.584 0.060 0.000 1.265 620 A CA 0.402 52.398 52.037 -0.067 0.000 0.626 620 A CB -0.387 18.507 19.000 -0.177 0.000 0.943 620 A HN 0.309 nan 8.150 nan 0.000 0.466 621 Q N -0.111 119.834 119.800 0.241 0.000 2.103 621 Q HA -0.254 4.086 4.340 -0.000 0.000 0.213 621 Q C 2.058 178.168 176.000 0.184 0.000 1.008 621 Q CA 1.678 57.692 55.803 0.352 0.000 0.879 621 Q CB -0.756 28.162 28.738 0.300 0.000 0.946 621 Q HN 0.688 nan 8.270 nan 0.000 0.413 622 G N 0.472 109.343 108.800 0.118 0.000 2.599 622 G HA2 -0.362 3.598 3.960 -0.000 0.000 0.219 622 G HA3 -0.362 3.598 3.960 -0.000 0.000 0.219 622 G C 1.401 176.312 174.900 0.018 0.000 1.193 622 G CA 1.720 46.861 45.100 0.068 0.000 0.778 622 G HN 0.358 nan 8.290 nan 0.000 0.589 623 T N 0.579 115.120 114.554 -0.021 0.000 2.708 623 T HA -0.099 4.250 4.350 -0.000 0.000 0.266 623 T C 2.534 177.175 174.700 -0.097 0.000 1.037 623 T CA 1.375 63.436 62.100 -0.065 0.000 1.146 623 T CB -0.374 68.426 68.868 -0.114 0.000 0.865 623 T HN 0.070 nan 8.240 nan 0.000 0.435 624 V N 2.160 121.989 119.914 -0.141 0.000 2.515 624 V HA -0.139 3.981 4.120 -0.000 0.000 0.250 624 V C 2.279 178.109 176.094 -0.440 0.000 1.058 624 V CA 1.410 63.503 62.300 -0.345 0.000 1.064 624 V CB -0.564 30.930 31.823 -0.547 0.000 0.675 624 V HN 0.456 nan 8.190 nan 0.000 0.461 625 D N 0.660 120.935 120.400 -0.208 0.000 2.265 625 D HA -0.116 4.524 4.640 -0.000 0.000 0.208 625 D C 2.055 178.308 176.300 -0.078 0.000 0.977 625 D CA 1.628 55.581 54.000 -0.079 0.000 0.871 625 D CB 0.018 40.856 40.800 0.063 0.000 0.925 625 D HN 0.545 nan 8.370 nan 0.000 0.485 626 G N 0.646 109.397 108.800 -0.081 0.000 2.486 626 G HA2 -0.103 3.856 3.960 -0.000 0.000 0.210 626 G HA3 -0.103 3.856 3.960 -0.000 0.000 0.210 626 G C 1.668 176.530 174.900 -0.064 0.000 1.168 626 G CA 0.597 45.667 45.100 -0.050 0.000 0.820 626 G HN 0.298 nan 8.290 nan 0.000 0.544 627 V N -1.193 118.668 119.914 -0.088 0.000 3.383 627 V HA 0.236 4.356 4.120 -0.000 0.000 0.272 627 V C 1.430 177.471 176.094 -0.088 0.000 1.181 627 V CA 0.751 63.011 62.300 -0.067 0.000 1.171 627 V CB -0.146 31.649 31.823 -0.048 0.000 0.800 627 V HN 0.097 nan 8.190 nan 0.000 0.515 628 L N 0.959 122.096 121.223 -0.143 0.000 3.094 628 L HA 0.493 4.833 4.340 -0.000 0.000 0.254 628 L C 0.564 177.393 176.870 -0.068 0.000 1.298 628 L CA -0.285 54.469 54.840 -0.143 0.000 1.050 628 L CB -1.043 40.834 42.059 -0.303 0.000 1.420 628 L HN 0.580 nan 8.230 nan 0.000 0.548 629 K N 0.000 120.376 120.400 -0.040 0.000 2.780 629 K HA 0.000 4.320 4.320 -0.000 0.000 0.191 629 K CA 0.000 56.278 56.287 -0.015 0.000 0.838 629 K CB 0.000 32.498 32.500 -0.003 0.000 1.064 629 K HN 0.000 nan 8.250 nan 0.000 0.543