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 3hs6_1_A DATA FIRST_RESID 33 DATA SEQUENCE HHPccSNPcQ NRGEcMSTGF DQYKcDcTRT GFYGENcTTP EFLTRIKLLL DATA SEQUENCE KPTPNTVHYI LTHFKGVWNI VNIPFLRSLI MKYVLTSRSY LIDSPPTYNV DATA SEQUENCE HYGYKSWEAF SNLSYYTRAL PPVADDcPTP MGVKGNKELP DSKEVLEKVL DATA SEQUENCE LRREFIPDPQ GSNMMFAFFA QHFTHQFFKT DHKRGPGFTR GLGHGVDLNH DATA SEQUENCE IYGETLDRQH KLRLFKDGKL KYQVIGGEVY PPTVKDTQVE MIYPPHIPEN DATA SEQUENCE LQFAVGQEVF GLVPGLMMYA TIWLREHNRV CDILKQEHPE WGDEQLFQTS DATA SEQUENCE RLILIGETIK IVIEDYVQHL SGYHFKLKFD PELLFNQQFQ YQNRIASEFN DATA SEQUENCE TLYHWHPLLP DTFNIEDQEY SFKQFLYNNS ILLEHGLTQF VESFTRQIAG DATA SEQUENCE RVAGGRNVPI AVQAVAKASI DQSREMKYQS LNEYRKRFSL KPYTSFEELT DATA SEQUENCE GEKEMAAELK ALYSDIDVME LYPALLVEKP RPDAIFGETM VELGAPFSLK DATA SEQUENCE GLMGNPICSP QYWKPSTFGG EVGFKIINTA SIQSLIcNNV KGcPFTSFNV 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 33 H HA 0.000 nan 4.556 nan 0.000 0.296 33 H C 0.000 175.410 175.328 0.137 0.000 0.993 33 H CA 0.000 56.118 56.048 0.116 0.000 1.023 33 H CB 0.000 29.822 29.762 0.100 0.000 1.292 34 H N 2.762 121.986 119.070 0.257 0.000 3.107 34 H HA 0.027 4.584 4.556 0.001 0.000 0.301 34 H C -1.522 173.936 175.328 0.216 0.000 0.981 34 H CA -0.809 55.342 56.048 0.171 0.000 1.443 34 H CB 1.043 30.880 29.762 0.125 0.000 1.479 34 H HN 0.558 nan 8.280 nan 0.000 0.564 35 P HA -0.051 nan 4.420 nan 0.000 0.234 35 P C 0.888 178.334 177.300 0.242 0.000 1.167 35 P CA 0.562 63.788 63.100 0.210 0.000 0.763 35 P CB 0.000 31.792 31.700 0.153 0.000 0.835 36 c N -1.612 117.216 118.600 0.380 0.000 2.697 36 c HA 0.117 4.688 4.570 0.001 0.000 0.267 36 c C 2.711 176.801 174.090 0.001 0.000 1.278 36 c CA -0.225 56.163 56.329 0.098 0.000 1.708 36 c CB -2.164 40.408 42.510 0.104 0.000 1.860 36 c HN 0.330 nan 8.230 nan 0.000 0.589 37 c N 1.700 120.361 118.600 0.102 0.000 2.403 37 c HA -0.129 4.442 4.570 0.001 0.000 0.279 37 c C 2.877 176.941 174.090 -0.043 0.000 1.269 37 c CA 2.204 58.541 56.329 0.013 0.000 1.774 37 c CB -1.291 41.234 42.510 0.025 0.000 1.993 37 c HN 0.817 nan 8.230 nan 0.000 0.496 38 S N 0.087 115.765 115.700 -0.035 0.000 2.603 38 S HA 0.010 4.481 4.470 0.001 0.000 0.220 38 S C 0.332 174.870 174.600 -0.104 0.000 0.967 38 S CA 0.257 58.423 58.200 -0.058 0.000 0.920 38 S CB -0.605 62.580 63.200 -0.024 0.000 0.773 38 S HN 0.660 nan 8.310 nan 0.000 0.529 39 N N 1.928 120.543 118.700 -0.142 0.000 2.688 39 N HA -0.091 4.650 4.740 0.001 0.000 0.258 39 N C -1.863 173.531 175.510 -0.193 0.000 1.016 39 N CA 1.017 53.964 53.050 -0.171 0.000 0.747 39 N CB -1.287 37.111 38.487 -0.148 0.000 0.895 39 N HN 0.460 nan 8.380 nan 0.000 0.543 40 P HA -0.040 nan 4.420 nan 0.000 0.219 40 P C 0.249 177.441 177.300 -0.181 0.000 1.150 40 P CA 0.688 63.623 63.100 -0.274 0.000 0.814 40 P CB 0.184 31.517 31.700 -0.612 0.000 0.787 41 c N 2.518 121.006 118.600 -0.186 0.000 2.576 41 c HA 0.339 4.910 4.570 0.001 0.000 0.401 41 c C 0.725 174.742 174.090 -0.122 0.000 1.314 41 c CA -0.515 55.751 56.329 -0.104 0.000 1.855 41 c CB -0.583 41.888 42.510 -0.066 0.000 2.537 41 c HN 0.267 nan 8.230 nan 0.000 0.578 42 Q N 1.748 121.466 119.800 -0.137 0.000 2.240 42 Q HA 0.356 4.697 4.340 0.001 0.000 0.260 42 Q C 0.251 176.098 176.000 -0.254 0.000 1.018 42 Q CA -0.490 55.193 55.803 -0.199 0.000 0.898 42 Q CB 0.600 29.196 28.738 -0.236 0.000 1.301 42 Q HN 0.763 nan 8.270 nan 0.000 0.469 43 N N 1.391 119.910 118.700 -0.302 0.000 2.740 43 N HA -0.222 4.518 4.740 0.001 0.000 0.248 43 N C -0.603 174.820 175.510 -0.144 0.000 1.062 43 N CA 0.829 53.684 53.050 -0.326 0.000 0.704 43 N CB -0.402 37.598 38.487 -0.812 0.000 0.968 43 N HN 0.633 nan 8.380 nan 0.000 0.547 44 R N -4.354 116.082 120.500 -0.107 0.000 3.892 44 R HA -0.123 4.217 4.340 0.001 0.000 0.441 44 R C 0.904 177.192 176.300 -0.019 0.000 1.052 44 R CA 1.190 57.259 56.100 -0.052 0.000 1.190 44 R CB -2.398 27.892 30.300 -0.017 0.000 1.808 44 R HN 0.504 nan 8.270 nan 0.000 0.538 45 G N 1.132 109.912 108.800 -0.034 0.000 2.491 45 G HA2 0.264 4.225 3.960 0.001 0.000 0.238 45 G HA3 0.264 4.225 3.960 0.001 0.000 0.238 45 G C -0.146 174.759 174.900 0.008 0.000 1.277 45 G CA -0.260 44.842 45.100 0.003 0.000 0.851 45 G HN 0.204 nan 8.290 nan 0.000 0.573 46 E N -0.020 120.206 120.200 0.043 0.000 2.166 46 E HA 0.299 4.650 4.350 0.001 0.000 0.275 46 E C -0.661 175.973 176.600 0.057 0.000 0.941 46 E CA -0.601 55.834 56.400 0.058 0.000 0.784 46 E CB 1.933 31.696 29.700 0.104 0.000 1.115 46 E HN 0.395 nan 8.360 nan 0.000 0.399 47 c N 4.595 123.213 118.600 0.029 0.000 2.350 47 c HA 0.636 5.206 4.570 0.001 0.000 0.348 47 c C -0.338 173.814 174.090 0.103 0.000 1.260 47 c CA -0.363 55.993 56.329 0.046 0.000 1.966 47 c CB -0.319 42.164 42.510 -0.046 0.000 2.380 47 c HN 0.829 nan 8.230 nan 0.000 0.535 48 M N 5.502 125.190 119.600 0.146 0.000 2.324 48 M HA 0.388 4.869 4.480 0.001 0.000 0.288 48 M C -0.102 176.277 176.300 0.131 0.000 1.097 48 M CA -0.073 55.307 55.300 0.135 0.000 0.928 48 M CB 2.039 34.695 32.600 0.094 0.000 1.648 48 M HN 0.813 nan 8.290 nan 0.000 0.460 49 S N 2.737 118.479 115.700 0.069 0.000 2.576 49 S HA 0.521 4.992 4.470 0.001 0.000 0.276 49 S C -0.049 174.516 174.600 -0.057 0.000 1.339 49 S CA 0.069 58.249 58.200 -0.033 0.000 1.039 49 S CB 0.631 63.678 63.200 -0.254 0.000 0.902 49 S HN 0.750 nan 8.310 nan 0.000 0.516 50 T N -0.845 113.671 114.554 -0.064 0.000 3.133 50 T HA 0.669 5.020 4.350 0.001 0.000 0.368 50 T C 0.433 175.074 174.700 -0.098 0.000 1.190 50 T CA -0.152 61.901 62.100 -0.077 0.000 1.282 50 T CB -0.095 68.744 68.868 -0.049 0.000 1.042 50 T HN 2.048 nan 8.240 nan 0.000 0.536 51 G N 1.708 110.409 108.800 -0.166 0.000 2.757 51 G HA2 -0.110 3.850 3.960 0.001 0.000 0.638 51 G HA3 -0.110 3.850 3.960 0.001 0.000 0.638 51 G C -0.115 174.654 174.900 -0.218 0.000 1.344 51 G CA -0.419 44.577 45.100 -0.175 0.000 0.855 51 G HN 0.414 nan 8.290 nan 0.000 0.537 52 F N -0.085 119.824 119.950 -0.067 0.000 2.325 52 F HA 0.137 4.665 4.527 0.001 0.000 0.299 52 F C 2.225 177.968 175.800 -0.095 0.000 1.090 52 F CA 1.771 59.721 58.000 -0.084 0.000 1.392 52 F CB 0.240 39.200 39.000 -0.068 0.000 1.053 52 F HN 0.355 nan 8.300 nan 0.000 0.521 53 D N -1.013 119.444 120.400 0.095 0.000 2.469 53 D HA 0.136 4.777 4.640 0.001 0.000 0.215 53 D C 0.077 176.391 176.300 0.023 0.000 1.154 53 D CA 0.304 54.324 54.000 0.033 0.000 0.832 53 D CB 0.419 41.236 40.800 0.028 0.000 1.008 53 D HN 0.291 nan 8.370 nan 0.000 0.506 54 Q N -0.079 119.727 119.800 0.009 0.000 2.423 54 Q HA 0.484 4.825 4.340 0.001 0.000 0.278 54 Q C -1.241 174.780 176.000 0.035 0.000 1.097 54 Q CA -1.094 54.695 55.803 -0.024 0.000 0.809 54 Q CB 2.769 31.461 28.738 -0.077 0.000 1.391 54 Q HN 0.110 nan 8.270 nan 0.000 0.428 55 Y N -1.589 118.707 120.300 -0.007 0.000 2.605 55 Y HA 0.788 5.339 4.550 0.001 0.000 0.343 55 Y C -1.390 174.515 175.900 0.009 0.000 1.036 55 Y CA -1.211 56.891 58.100 0.003 0.000 1.065 55 Y CB 1.691 40.170 38.460 0.032 0.000 1.288 55 Y HN 0.447 nan 8.280 nan 0.000 0.481 56 K N 1.475 122.005 120.400 0.216 0.000 2.422 56 K HA 0.706 5.027 4.320 0.001 0.000 0.251 56 K C -1.847 174.907 176.600 0.257 0.000 0.933 56 K CA -0.619 55.758 56.287 0.149 0.000 0.798 56 K CB 1.721 34.252 32.500 0.052 0.000 1.238 56 K HN 0.959 nan 8.250 nan 0.000 0.428 57 c N 2.126 120.866 118.600 0.235 0.000 2.350 57 c HA 0.321 4.892 4.570 0.001 0.000 0.348 57 c C -0.364 173.796 174.090 0.116 0.000 1.260 57 c CA -0.603 55.828 56.329 0.171 0.000 1.966 57 c CB 0.514 43.122 42.510 0.164 0.000 2.380 57 c HN 0.712 nan 8.230 nan 0.000 0.535 58 D N 1.570 122.027 120.400 0.096 0.000 2.412 58 D HA 0.287 4.928 4.640 0.001 0.000 0.224 58 D C 0.146 176.495 176.300 0.082 0.000 1.093 58 D CA -0.374 53.676 54.000 0.083 0.000 0.850 58 D CB 0.720 41.565 40.800 0.075 0.000 1.046 58 D HN 0.635 nan 8.370 nan 0.000 0.507 59 c N 2.808 121.465 118.600 0.095 0.000 2.693 59 c HA 0.183 4.754 4.570 0.001 0.000 0.286 59 c C 0.780 174.935 174.090 0.109 0.000 1.277 59 c CA -0.426 55.970 56.329 0.113 0.000 1.705 59 c CB -1.639 40.966 42.510 0.158 0.000 1.879 59 c HN 0.542 nan 8.230 nan 0.000 0.607 60 T N 2.112 116.715 114.554 0.082 0.000 2.800 60 T HA 0.004 4.355 4.350 0.001 0.000 0.283 60 T C 0.989 175.728 174.700 0.065 0.000 0.999 60 T CA 0.722 62.861 62.100 0.065 0.000 1.176 60 T CB -0.089 68.807 68.868 0.047 0.000 0.973 60 T HN 0.650 nan 8.240 nan 0.000 0.519 61 R N -0.059 120.479 120.500 0.063 0.000 4.000 61 R HA -0.237 4.104 4.340 0.001 0.000 0.362 61 R C 1.804 178.149 176.300 0.076 0.000 1.183 61 R CA 1.302 57.435 56.100 0.055 0.000 1.011 61 R CB -2.502 27.820 30.300 0.036 0.000 1.501 61 R HN 0.922 nan 8.270 nan 0.000 0.553 62 T N -4.000 110.625 114.554 0.118 0.000 3.023 62 T HA 0.140 4.491 4.350 0.001 0.000 0.266 62 T C 1.574 176.430 174.700 0.259 0.000 1.093 62 T CA 1.141 63.350 62.100 0.182 0.000 1.129 62 T CB 0.440 69.432 68.868 0.207 0.000 0.899 62 T HN 0.736 nan 8.240 nan 0.000 0.491 63 G N 0.509 109.404 108.800 0.158 0.000 2.176 63 G HA2 -0.151 3.809 3.960 0.001 0.000 0.253 63 G HA3 -0.151 3.809 3.960 0.001 0.000 0.253 63 G C -0.071 174.734 174.900 -0.158 0.000 0.979 63 G CA 0.011 45.108 45.100 -0.006 0.000 0.641 63 G HN 0.586 nan 8.290 nan 0.000 0.530 64 F N -0.634 119.357 119.950 0.069 0.000 2.611 64 F HA 0.797 5.325 4.527 0.001 0.000 0.324 64 F C 0.378 176.268 175.800 0.149 0.000 1.061 64 F CA -0.940 57.083 58.000 0.039 0.000 0.954 64 F CB 1.559 40.538 39.000 -0.035 0.000 1.301 64 F HN 0.238 nan 8.300 nan 0.000 0.482 65 Y N -1.002 119.427 120.300 0.215 0.000 2.974 65 Y HA 0.917 5.468 4.550 0.001 0.000 0.310 65 Y C 0.023 175.999 175.900 0.127 0.000 1.526 65 Y CA -1.589 56.591 58.100 0.133 0.000 1.087 65 Y CB 0.810 39.317 38.460 0.078 0.000 1.404 65 Y HN 1.018 nan 8.280 nan 0.000 0.491 66 G N 0.227 109.186 108.800 0.264 0.000 2.707 66 G HA2 -0.220 3.740 3.960 0.001 0.000 0.686 66 G HA3 -0.220 3.740 3.960 0.001 0.000 0.686 66 G C 0.220 175.188 174.900 0.114 0.000 1.315 66 G CA 0.036 45.217 45.100 0.134 0.000 0.832 66 G HN 1.173 nan 8.290 nan 0.000 0.573 67 E N -0.248 120.005 120.200 0.089 0.000 2.130 67 E HA -0.187 4.164 4.350 0.001 0.000 0.196 67 E C 1.599 178.280 176.600 0.135 0.000 0.998 67 E CA 1.697 58.151 56.400 0.089 0.000 0.806 67 E CB -0.069 29.665 29.700 0.058 0.000 0.738 67 E HN 0.419 nan 8.360 nan 0.000 0.459 68 N N -0.854 117.908 118.700 0.103 0.000 2.204 68 N HA 0.077 4.818 4.740 0.001 0.000 0.219 68 N C -0.499 175.021 175.510 0.016 0.000 1.151 68 N CA 0.527 53.627 53.050 0.083 0.000 0.867 68 N CB 0.514 39.033 38.487 0.053 0.000 1.043 68 N HN 0.146 nan 8.380 nan 0.000 0.516 69 c N 0.688 119.312 118.600 0.041 0.000 4.454 69 c HA -0.113 4.458 4.570 0.001 0.000 0.301 69 c C 1.719 175.764 174.090 -0.076 0.000 1.366 69 c CA 0.992 57.343 56.329 0.037 0.000 2.016 69 c CB -3.127 39.394 42.510 0.019 0.000 1.253 69 c HN 0.586 nan 8.230 nan 0.000 0.770 70 T N -4.672 109.865 114.554 -0.030 0.000 3.001 70 T HA 0.169 4.520 4.350 0.001 0.000 0.251 70 T C 0.356 175.140 174.700 0.140 0.000 1.040 70 T CA 0.675 62.748 62.100 -0.044 0.000 0.985 70 T CB 0.199 69.035 68.868 -0.054 0.000 1.011 70 T HN 0.576 nan 8.240 nan 0.000 0.509 71 T N 5.651 120.218 114.554 0.021 0.000 2.727 71 T HA 0.404 4.755 4.350 0.001 0.000 0.298 71 T C -2.738 171.771 174.700 -0.319 0.000 0.942 71 T CA -1.329 60.636 62.100 -0.225 0.000 0.997 71 T CB 1.219 69.716 68.868 -0.618 0.000 0.917 71 T HN 0.188 nan 8.240 nan 0.000 0.487 72 P HA 0.208 nan 4.420 nan 0.000 0.276 72 P C 0.064 177.213 177.300 -0.252 0.000 1.230 72 P CA -0.400 62.360 63.100 -0.566 0.000 0.776 72 P CB 0.921 32.360 31.700 -0.434 0.000 0.888 73 E N 1.170 121.273 120.200 -0.162 0.000 2.425 73 E HA -0.053 4.298 4.350 0.001 0.000 0.258 73 E C 0.774 177.395 176.600 0.035 0.000 1.151 73 E CA -0.193 56.268 56.400 0.101 0.000 0.958 73 E CB 0.110 29.845 29.700 0.059 0.000 0.968 73 E HN 0.393 nan 8.360 nan 0.000 0.451 74 F N 1.624 121.564 119.950 -0.016 0.000 2.069 74 F HA -0.197 4.331 4.527 0.001 0.000 0.298 74 F C 1.813 177.576 175.800 -0.063 0.000 1.113 74 F CA 1.499 59.478 58.000 -0.035 0.000 1.214 74 F CB -0.200 38.789 39.000 -0.017 0.000 0.978 74 F HN 0.393 nan 8.300 nan 0.000 0.474 75 L N -0.374 120.757 121.223 -0.154 0.000 2.127 75 L HA -0.272 4.069 4.340 0.001 0.000 0.211 75 L C 2.291 178.996 176.870 -0.274 0.000 1.089 75 L CA 1.890 56.583 54.840 -0.246 0.000 0.757 75 L CB -0.810 41.198 42.059 -0.086 0.000 0.899 75 L HN 0.234 nan 8.230 nan 0.000 0.434 76 T N -1.446 112.952 114.554 -0.260 0.000 2.737 76 T HA -0.221 4.130 4.350 0.001 0.000 0.265 76 T C 1.973 176.500 174.700 -0.288 0.000 1.038 76 T CA 1.049 62.966 62.100 -0.305 0.000 1.144 76 T CB -0.199 68.366 68.868 -0.504 0.000 0.866 76 T HN 0.256 nan 8.240 nan 0.000 0.434 77 R N 0.383 120.703 120.500 -0.300 0.000 2.117 77 R HA -0.106 4.234 4.340 0.001 0.000 0.243 77 R C 2.161 178.317 176.300 -0.240 0.000 1.143 77 R CA 1.258 57.217 56.100 -0.235 0.000 0.968 77 R CB -0.300 29.883 30.300 -0.195 0.000 0.863 77 R HN 0.277 nan 8.270 nan 0.000 0.444 78 I N 1.116 121.474 120.570 -0.353 0.000 2.163 78 I HA -0.235 3.935 4.170 0.001 0.000 0.240 78 I C 2.090 178.095 176.117 -0.187 0.000 1.081 78 I CA 1.483 62.604 61.300 -0.298 0.000 1.353 78 I CB -1.136 36.626 38.000 -0.397 0.000 1.054 78 I HN 0.150 nan 8.210 nan 0.000 0.407 79 K N 0.581 120.872 120.400 -0.181 0.000 2.074 79 K HA -0.168 4.153 4.320 0.001 0.000 0.209 79 K C 2.215 178.763 176.600 -0.087 0.000 1.048 79 K CA 1.284 57.496 56.287 -0.124 0.000 0.926 79 K CB -0.303 32.120 32.500 -0.130 0.000 0.713 79 K HN 0.261 nan 8.250 nan 0.000 0.444 80 L N 0.697 121.869 121.223 -0.086 0.000 2.083 80 L HA -0.192 4.149 4.340 0.001 0.000 0.209 80 L C 2.294 179.144 176.870 -0.033 0.000 1.083 80 L CA 0.966 55.783 54.840 -0.038 0.000 0.752 80 L CB -0.243 41.806 42.059 -0.016 0.000 0.899 80 L HN 0.210 nan 8.230 nan 0.000 0.433 81 L N -1.161 120.028 121.223 -0.056 0.000 2.156 81 L HA -0.195 4.146 4.340 0.001 0.000 0.208 81 L C 2.186 179.032 176.870 -0.040 0.000 1.095 81 L CA 0.675 55.487 54.840 -0.045 0.000 0.770 81 L CB -0.106 41.919 42.059 -0.057 0.000 0.914 81 L HN 0.220 nan 8.230 nan 0.000 0.439 82 L N -0.763 120.430 121.223 -0.051 0.000 2.307 82 L HA -0.016 4.325 4.340 0.001 0.000 0.211 82 L C 1.246 178.098 176.870 -0.030 0.000 1.099 82 L CA 0.875 55.688 54.840 -0.046 0.000 0.816 82 L CB -0.497 41.527 42.059 -0.059 0.000 0.952 82 L HN -0.132 nan 8.230 nan 0.000 0.455 83 K N 2.104 122.492 120.400 -0.020 0.000 2.383 83 K HA 0.199 4.520 4.320 0.001 0.000 0.286 83 K C -2.252 174.360 176.600 0.021 0.000 1.051 83 K CA -1.331 54.960 56.287 0.007 0.000 0.974 83 K CB -0.066 32.446 32.500 0.020 0.000 0.968 83 K HN 0.079 nan 8.250 nan 0.000 0.475 84 P HA 0.165 nan 4.420 nan 0.000 0.275 84 P C -0.161 177.179 177.300 0.067 0.000 1.228 84 P CA -0.304 62.822 63.100 0.044 0.000 0.786 84 P CB 0.609 32.340 31.700 0.051 0.000 0.927 85 T N -0.554 114.035 114.554 0.058 0.000 2.860 85 T HA 0.175 4.525 4.350 0.001 0.000 0.299 85 T C -1.758 172.996 174.700 0.090 0.000 1.045 85 T CA -1.341 60.796 62.100 0.062 0.000 1.071 85 T CB -0.156 68.735 68.868 0.038 0.000 0.985 85 T HN 0.165 nan 8.240 nan 0.000 0.537 86 P HA -0.078 nan 4.420 nan 0.000 0.216 86 P C 1.338 178.720 177.300 0.137 0.000 1.150 86 P CA 0.859 64.023 63.100 0.106 0.000 0.837 86 P CB -0.025 31.718 31.700 0.070 0.000 0.786 87 N N -1.603 117.163 118.700 0.110 0.000 2.309 87 N HA -0.073 4.668 4.740 0.001 0.000 0.182 87 N C 1.555 177.181 175.510 0.193 0.000 1.018 87 N CA 1.320 54.456 53.050 0.144 0.000 0.876 87 N CB -1.004 37.535 38.487 0.088 0.000 0.972 87 N HN 0.175 nan 8.380 nan 0.000 0.434 88 T N 0.374 115.014 114.554 0.144 0.000 2.770 88 T HA -0.001 4.350 4.350 0.001 0.000 0.263 88 T C 2.168 177.001 174.700 0.222 0.000 1.039 88 T CA 0.700 62.890 62.100 0.149 0.000 1.142 88 T CB -0.274 68.646 68.868 0.086 0.000 0.868 88 T HN -0.051 nan 8.240 nan 0.000 0.435 89 V N 1.261 121.292 119.914 0.194 0.000 2.343 89 V HA -0.216 3.905 4.120 0.001 0.000 0.247 89 V C 2.314 178.509 176.094 0.169 0.000 1.051 89 V CA 2.087 64.499 62.300 0.187 0.000 1.036 89 V CB -0.757 31.178 31.823 0.187 0.000 0.654 89 V HN 0.565 nan 8.190 nan 0.000 0.451 90 H N -0.843 118.298 119.070 0.117 0.000 2.352 90 H HA -0.262 4.295 4.556 0.001 0.000 0.299 90 H C 2.129 177.554 175.328 0.162 0.000 1.097 90 H CA 2.397 58.513 56.048 0.113 0.000 1.311 90 H CB -0.395 29.462 29.762 0.158 0.000 1.377 90 H HN 0.499 nan 8.280 nan 0.000 0.504 91 Y N 0.579 120.944 120.300 0.108 0.000 2.097 91 Y HA -0.241 4.309 4.550 0.001 0.000 0.282 91 Y C 2.323 178.326 175.900 0.172 0.000 1.152 91 Y CA 2.219 60.376 58.100 0.095 0.000 1.136 91 Y CB -0.448 38.030 38.460 0.029 0.000 0.975 91 Y HN 0.262 nan 8.280 nan 0.000 0.498 92 I N -0.236 120.549 120.570 0.359 0.000 2.361 92 I HA -0.325 3.846 4.170 0.001 0.000 0.251 92 I C 2.108 178.503 176.117 0.463 0.000 1.133 92 I CA 1.289 62.892 61.300 0.505 0.000 1.413 92 I CB -0.362 37.911 38.000 0.455 0.000 1.073 92 I HN 0.274 nan 8.210 nan 0.000 0.424 93 L N 0.034 121.282 121.223 0.041 0.000 2.395 93 L HA -0.067 4.274 4.340 0.001 0.000 0.218 93 L C 1.924 178.539 176.870 -0.425 0.000 1.130 93 L CA 1.171 55.772 54.840 -0.398 0.000 0.826 93 L CB -0.371 41.097 42.059 -0.985 0.000 0.941 93 L HN 0.381 nan 8.230 nan 0.000 0.451 94 T N -5.101 109.250 114.554 -0.338 0.000 3.174 94 T HA 0.261 4.612 4.350 0.001 0.000 0.269 94 T C 0.178 174.498 174.700 -0.633 0.000 1.017 94 T CA -0.343 61.419 62.100 -0.564 0.000 0.899 94 T CB -0.042 68.469 68.868 -0.594 0.000 1.077 94 T HN 0.156 nan 8.240 nan 0.000 0.552 95 H N -0.776 118.171 119.070 -0.205 0.000 3.048 95 H HA 0.574 5.131 4.556 0.001 0.000 0.296 95 H C -0.742 174.684 175.328 0.163 0.000 1.508 95 H CA -1.687 54.200 56.048 -0.268 0.000 1.250 95 H CB 0.413 29.545 29.762 -1.050 0.000 1.896 95 H HN 0.001 nan 8.280 nan 0.000 0.604 96 F N -0.286 119.833 119.950 0.282 0.000 3.027 96 F HA -0.260 4.268 4.527 0.001 0.000 0.276 96 F C 1.605 177.501 175.800 0.159 0.000 0.967 96 F CA 0.614 58.699 58.000 0.143 0.000 0.929 96 F CB -1.285 37.724 39.000 0.015 0.000 0.873 96 F HN 0.529 nan 8.300 nan 0.000 0.787 97 K N 0.876 121.402 120.400 0.210 0.000 2.113 97 K HA -0.154 4.166 4.320 0.001 0.000 0.208 97 K C 2.336 178.975 176.600 0.066 0.000 1.047 97 K CA 1.539 57.830 56.287 0.007 0.000 0.928 97 K CB -0.549 31.697 32.500 -0.424 0.000 0.716 97 K HN 0.602 nan 8.250 nan 0.000 0.446 98 G N 0.463 109.292 108.800 0.048 0.000 2.469 98 G HA2 -0.243 3.718 3.960 0.001 0.000 0.219 98 G HA3 -0.243 3.718 3.960 0.001 0.000 0.219 98 G C 1.461 176.361 174.900 -0.001 0.000 1.150 98 G CA 1.028 46.144 45.100 0.027 0.000 0.763 98 G HN 0.206 nan 8.290 nan 0.000 0.561 99 V N -0.403 119.473 119.914 -0.064 0.000 2.295 99 V HA -0.160 3.961 4.120 0.001 0.000 0.246 99 V C 2.449 178.414 176.094 -0.215 0.000 1.049 99 V CA 1.847 63.999 62.300 -0.246 0.000 1.024 99 V CB -0.657 30.864 31.823 -0.502 0.000 0.648 99 V HN 0.629 nan 8.190 nan 0.000 0.447 100 W N -0.129 121.243 121.300 0.121 0.000 2.402 100 W HA -0.078 4.583 4.660 0.001 0.000 0.286 100 W C 2.484 179.074 176.519 0.118 0.000 1.221 100 W CA 0.604 58.046 57.345 0.161 0.000 1.257 100 W CB -0.559 29.041 29.460 0.233 0.000 1.120 100 W HN 0.222 nan 8.180 nan 0.000 0.551 101 N N 0.795 119.640 118.700 0.241 0.000 2.069 101 N HA -0.187 4.554 4.740 0.001 0.000 0.191 101 N C 1.442 177.024 175.510 0.120 0.000 1.031 101 N CA 1.620 54.755 53.050 0.141 0.000 0.852 101 N CB -0.705 37.825 38.487 0.071 0.000 1.018 101 N HN 0.075 nan 8.380 nan 0.000 0.423 102 I N 0.235 120.856 120.570 0.085 0.000 2.142 102 I HA -0.198 3.973 4.170 0.001 0.000 0.240 102 I C 2.228 178.409 176.117 0.106 0.000 1.078 102 I CA 0.641 61.980 61.300 0.065 0.000 1.343 102 I CB -0.487 37.522 38.000 0.015 0.000 1.046 102 I HN -0.100 nan 8.210 nan 0.000 0.405 103 V N 0.905 120.905 119.914 0.143 0.000 2.282 103 V HA -0.295 3.826 4.120 0.001 0.000 0.249 103 V C 1.517 177.779 176.094 0.279 0.000 1.057 103 V CA 1.794 64.232 62.300 0.230 0.000 1.032 103 V CB -0.899 31.140 31.823 0.360 0.000 0.645 103 V HN 0.467 nan 8.190 nan 0.000 0.447 104 N N 1.132 120.008 118.700 0.294 0.000 2.654 104 N HA -0.026 4.715 4.740 0.001 0.000 0.204 104 N C 0.212 175.793 175.510 0.119 0.000 1.446 104 N CA 0.250 53.413 53.050 0.187 0.000 0.895 104 N CB -0.802 37.770 38.487 0.142 0.000 1.132 104 N HN 0.321 nan 8.380 nan 0.000 0.462 105 I N 0.730 121.370 120.570 0.117 0.000 2.730 105 I HA -0.239 3.932 4.170 0.001 0.000 0.128 105 I C -1.115 175.095 176.117 0.156 0.000 0.882 105 I CA -0.115 61.265 61.300 0.133 0.000 2.783 105 I CB -0.808 37.278 38.000 0.143 0.000 0.550 105 I HN 0.013 nan 8.210 nan 0.000 0.352 106 P HA -0.230 nan 4.420 nan 0.000 0.216 106 P C 1.795 179.200 177.300 0.176 0.000 1.153 106 P CA 1.364 64.549 63.100 0.142 0.000 0.858 106 P CB 0.018 31.791 31.700 0.122 0.000 0.789 107 F N -0.061 119.931 119.950 0.070 0.000 2.126 107 F HA -0.181 4.347 4.527 0.001 0.000 0.299 107 F C 1.966 177.817 175.800 0.086 0.000 1.096 107 F CA 1.472 59.513 58.000 0.068 0.000 1.255 107 F CB -0.924 38.107 39.000 0.051 0.000 0.997 107 F HN -0.222 nan 8.300 nan 0.000 0.479 108 L N -0.221 120.990 121.223 -0.019 0.000 2.044 108 L HA -0.149 4.192 4.340 0.001 0.000 0.205 108 L C 2.804 179.691 176.870 0.029 0.000 1.075 108 L CA 1.335 56.121 54.840 -0.089 0.000 0.747 108 L CB -0.602 41.496 42.059 0.065 0.000 0.903 108 L HN 0.058 nan 8.230 nan 0.000 0.435 109 R N -0.374 120.226 120.500 0.167 0.000 2.091 109 R HA -0.182 4.159 4.340 0.001 0.000 0.238 109 R C 2.381 178.843 176.300 0.271 0.000 1.136 109 R CA 1.942 58.246 56.100 0.340 0.000 0.959 109 R CB -0.130 30.309 30.300 0.231 0.000 0.856 109 R HN 0.246 nan 8.270 nan 0.000 0.437 110 S N 0.958 116.718 115.700 0.100 0.000 2.368 110 S HA -0.151 4.320 4.470 0.001 0.000 0.225 110 S C 1.809 176.397 174.600 -0.019 0.000 1.030 110 S CA 1.134 59.357 58.200 0.040 0.000 0.999 110 S CB -0.195 63.008 63.200 0.004 0.000 0.844 110 S HN 0.317 nan 8.310 nan 0.000 0.459 111 L N 0.616 121.752 121.223 -0.145 0.000 2.056 111 L HA -0.063 4.278 4.340 0.001 0.000 0.207 111 L C 1.923 178.763 176.870 -0.050 0.000 1.078 111 L CA 1.232 55.965 54.840 -0.178 0.000 0.749 111 L CB -0.215 41.612 42.059 -0.387 0.000 0.901 111 L HN 0.233 nan 8.230 nan 0.000 0.433 112 I N -1.254 119.299 120.570 -0.028 0.000 2.252 112 I HA -0.290 3.881 4.170 0.001 0.000 0.245 112 I C 2.358 178.454 176.117 -0.036 0.000 1.102 112 I CA 1.097 62.353 61.300 -0.072 0.000 1.385 112 I CB -0.257 37.558 38.000 -0.309 0.000 1.064 112 I HN 0.303 nan 8.210 nan 0.000 0.414 113 M N 0.552 120.234 119.600 0.137 0.000 2.149 113 M HA -0.228 4.253 4.480 0.001 0.000 0.261 113 M C 2.165 178.510 176.300 0.074 0.000 1.064 113 M CA 1.790 57.221 55.300 0.217 0.000 1.102 113 M CB -0.484 32.295 32.600 0.299 0.000 1.369 113 M HN 0.023 nan 8.290 nan 0.000 0.408 114 K N -1.438 118.991 120.400 0.048 0.000 2.057 114 K HA -0.239 4.081 4.320 0.001 0.000 0.207 114 K C 2.129 178.756 176.600 0.045 0.000 1.049 114 K CA 1.809 58.108 56.287 0.020 0.000 0.931 114 K CB -0.507 32.000 32.500 0.011 0.000 0.714 114 K HN 0.479 nan 8.250 nan 0.000 0.440 115 Y N 1.129 121.409 120.300 -0.034 0.000 2.128 115 Y HA -0.234 4.316 4.550 0.001 0.000 0.284 115 Y C 1.789 177.686 175.900 -0.004 0.000 1.154 115 Y CA 1.414 59.499 58.100 -0.025 0.000 1.149 115 Y CB -0.648 37.782 38.460 -0.051 0.000 0.976 115 Y HN -0.179 nan 8.280 nan 0.000 0.505 116 V N 0.922 120.607 119.914 -0.381 0.000 2.324 116 V HA -0.346 3.775 4.120 0.001 0.000 0.250 116 V C 2.588 178.549 176.094 -0.222 0.000 1.060 116 V CA 2.228 64.292 62.300 -0.394 0.000 1.042 116 V CB -0.818 30.951 31.823 -0.090 0.000 0.650 116 V HN 0.497 nan 8.190 nan 0.000 0.450 117 L N 0.151 121.304 121.223 -0.116 0.000 2.072 117 L HA -0.114 4.226 4.340 0.001 0.000 0.205 117 L C 2.712 179.538 176.870 -0.074 0.000 1.079 117 L CA 1.992 56.782 54.840 -0.084 0.000 0.752 117 L CB -0.883 41.117 42.059 -0.098 0.000 0.906 117 L HN 0.563 nan 8.230 nan 0.000 0.436 118 T N -3.875 110.644 114.554 -0.057 0.000 3.014 118 T HA -0.086 4.265 4.350 0.001 0.000 0.263 118 T C 2.030 176.764 174.700 0.055 0.000 1.078 118 T CA 0.795 62.907 62.100 0.019 0.000 1.135 118 T CB -0.344 68.556 68.868 0.054 0.000 0.895 118 T HN 0.383 nan 8.240 nan 0.000 0.480 119 S N 2.412 118.092 115.700 -0.033 0.000 2.400 119 S HA -0.119 4.352 4.470 0.001 0.000 0.232 119 S C 1.823 176.461 174.600 0.064 0.000 1.025 119 S CA 0.562 58.778 58.200 0.026 0.000 0.993 119 S CB -0.523 62.541 63.200 -0.227 0.000 0.808 119 S HN 0.605 nan 8.310 nan 0.000 0.478 120 R N 0.542 121.020 120.500 -0.037 0.000 2.609 120 R HA 0.414 4.754 4.340 0.001 0.000 0.326 120 R C 1.035 177.273 176.300 -0.102 0.000 1.090 120 R CA 0.171 56.207 56.100 -0.107 0.000 1.072 120 R CB 0.218 30.468 30.300 -0.083 0.000 1.330 120 R HN 0.305 nan 8.270 nan 0.000 0.572 121 S N -0.010 115.687 115.700 -0.004 0.000 2.483 121 S HA -0.054 4.417 4.470 0.001 0.000 0.221 121 S C 1.142 175.758 174.600 0.027 0.000 1.030 121 S CA 0.047 58.285 58.200 0.063 0.000 0.925 121 S CB 0.098 63.399 63.200 0.169 0.000 0.795 121 S HN 0.581 nan 8.310 nan 0.000 0.511 122 Y N 0.612 120.902 120.300 -0.017 0.000 2.578 122 Y HA 0.410 4.961 4.550 0.001 0.000 0.297 122 Y C 1.189 177.034 175.900 -0.090 0.000 1.176 122 Y CA 0.130 58.205 58.100 -0.041 0.000 1.315 122 Y CB -0.579 37.867 38.460 -0.024 0.000 1.031 122 Y HN 0.089 nan 8.280 nan 0.000 0.524 123 L N 0.268 121.173 121.223 -0.530 0.000 2.513 123 L HA 0.198 4.539 4.340 0.001 0.000 0.222 123 L C -0.023 176.585 176.870 -0.438 0.000 1.096 123 L CA -0.057 54.416 54.840 -0.612 0.000 0.857 123 L CB 0.335 41.969 42.059 -0.708 0.000 1.026 123 L HN 0.116 nan 8.230 nan 0.000 0.469 124 I N 0.318 120.721 120.570 -0.278 0.000 2.339 124 I HA 0.187 4.357 4.170 0.001 0.000 0.290 124 I C -0.510 175.525 176.117 -0.136 0.000 0.994 124 I CA -0.823 60.362 61.300 -0.191 0.000 1.191 124 I CB 1.085 39.006 38.000 -0.132 0.000 1.343 124 I HN -0.115 nan 8.210 nan 0.000 0.458 125 D N 4.349 124.683 120.400 -0.111 0.000 2.451 125 D HA 0.108 4.748 4.640 0.001 0.000 0.254 125 D C 0.220 176.460 176.300 -0.101 0.000 1.204 125 D CA 0.768 54.704 54.000 -0.107 0.000 0.896 125 D CB 0.603 41.329 40.800 -0.123 0.000 1.136 125 D HN 0.423 nan 8.370 nan 0.000 0.499 126 S N 2.702 118.335 115.700 -0.112 0.000 2.614 126 S HA 0.344 4.815 4.470 0.001 0.000 0.259 126 S C -2.760 171.776 174.600 -0.106 0.000 1.118 126 S CA -1.267 56.862 58.200 -0.117 0.000 1.065 126 S CB 0.689 63.787 63.200 -0.170 0.000 1.121 126 S HN 0.017 nan 8.310 nan 0.000 0.458 127 P HA 0.196 nan 4.420 nan 0.000 0.266 127 P C -2.468 174.808 177.300 -0.040 0.000 1.193 127 P CA -0.631 62.466 63.100 -0.006 0.000 0.770 127 P CB -0.084 31.627 31.700 0.019 0.000 0.836 128 P HA 0.004 nan 4.420 nan 0.000 0.272 128 P C 0.166 177.385 177.300 -0.136 0.000 1.240 128 P CA 0.051 63.092 63.100 -0.097 0.000 0.791 128 P CB 0.736 32.357 31.700 -0.132 0.000 0.978 129 T N -1.784 112.623 114.554 -0.245 0.000 3.518 129 T HA 0.181 4.531 4.350 0.001 0.000 0.211 129 T C 0.428 174.884 174.700 -0.407 0.000 0.940 129 T CA 0.168 61.996 62.100 -0.453 0.000 1.307 129 T CB -0.757 67.592 68.868 -0.865 0.000 1.392 129 T HN 0.198 nan 8.240 nan 0.000 0.382 130 Y N 3.834 124.096 120.300 -0.063 0.000 2.298 130 Y HA 0.647 5.198 4.550 0.001 0.000 0.329 130 Y C 0.766 176.608 175.900 -0.097 0.000 1.293 130 Y CA -1.033 57.020 58.100 -0.077 0.000 1.388 130 Y CB 0.394 38.822 38.460 -0.053 0.000 1.309 130 Y HN 0.750 nan 8.280 nan 0.000 0.544 131 N N -2.328 116.411 118.700 0.064 0.000 3.204 131 N HA 0.184 4.925 4.740 0.001 0.000 0.285 131 N C -0.141 175.349 175.510 -0.035 0.000 1.536 131 N CA -0.695 52.326 53.050 -0.047 0.000 0.832 131 N CB 0.603 38.916 38.487 -0.291 0.000 1.645 131 N HN 0.412 nan 8.380 nan 0.000 0.586 132 V N -0.069 119.811 119.914 -0.057 0.000 2.469 132 V HA -0.212 3.909 4.120 0.001 0.000 0.251 132 V C 1.211 177.288 176.094 -0.028 0.000 1.064 132 V CA 2.025 64.298 62.300 -0.046 0.000 1.066 132 V CB -0.938 30.829 31.823 -0.093 0.000 0.667 132 V HN 0.722 nan 8.190 nan 0.000 0.461 133 H N -2.990 116.037 119.070 -0.072 0.000 2.575 133 H HA 0.227 4.784 4.556 0.001 0.000 0.267 133 H C -0.532 174.389 175.328 -0.677 0.000 0.966 133 H CA -0.009 55.878 56.048 -0.268 0.000 1.165 133 H CB 0.408 30.059 29.762 -0.184 0.000 1.433 133 H HN 0.487 nan 8.280 nan 0.000 0.544 134 Y N -0.350 119.864 120.300 -0.142 0.000 2.349 134 Y HA 0.292 4.843 4.550 0.001 0.000 0.324 134 Y C 0.831 176.583 175.900 -0.246 0.000 1.005 134 Y CA -0.814 57.072 58.100 -0.357 0.000 1.240 134 Y CB 1.852 40.035 38.460 -0.461 0.000 1.117 134 Y HN 0.054 nan 8.280 nan 0.000 0.463 135 G N 2.246 110.946 108.800 -0.167 0.000 3.141 135 G HA2 0.107 4.068 3.960 0.001 0.000 0.218 135 G HA3 0.107 4.068 3.960 0.001 0.000 0.218 135 G C -0.361 174.528 174.900 -0.018 0.000 1.170 135 G CA 0.215 45.223 45.100 -0.153 0.000 0.769 135 G HN 0.569 nan 8.290 nan 0.000 0.546 136 Y N -2.112 118.334 120.300 0.243 0.000 2.576 136 Y HA 0.720 5.271 4.550 0.001 0.000 0.346 136 Y C -0.101 176.019 175.900 0.367 0.000 1.018 136 Y CA -2.184 56.109 58.100 0.322 0.000 1.050 136 Y CB 1.077 39.663 38.460 0.208 0.000 1.280 136 Y HN -0.246 nan 8.280 nan 0.000 0.474 137 K N 1.916 122.555 120.400 0.398 0.000 2.401 137 K HA 0.474 4.795 4.320 0.001 0.000 0.278 137 K C -0.425 176.281 176.600 0.176 0.000 1.018 137 K CA 0.273 56.636 56.287 0.127 0.000 0.981 137 K CB 0.561 33.080 32.500 0.031 0.000 0.933 137 K HN 0.890 nan 8.250 nan 0.000 0.477 138 S N 1.068 116.762 115.700 -0.009 0.000 2.565 138 S HA 0.177 4.648 4.470 0.001 0.000 0.269 138 S C -0.045 174.531 174.600 -0.040 0.000 1.153 138 S CA -1.124 57.074 58.200 -0.002 0.000 0.835 138 S CB 0.554 63.625 63.200 -0.215 0.000 1.122 138 S HN 0.877 nan 8.310 nan 0.000 0.462 139 W N 1.278 122.529 121.300 -0.082 0.000 2.402 139 W HA -0.075 4.586 4.660 0.001 0.000 0.286 139 W C 1.569 178.058 176.519 -0.051 0.000 1.221 139 W CA 2.184 59.521 57.345 -0.012 0.000 1.257 139 W CB -0.100 29.367 29.460 0.013 0.000 1.120 139 W HN 1.048 nan 8.180 nan 0.000 0.551 140 E N 0.859 120.994 120.200 -0.109 0.000 2.051 140 E HA -0.180 4.171 4.350 0.001 0.000 0.192 140 E C 2.246 178.599 176.600 -0.413 0.000 0.991 140 E CA 2.503 58.759 56.400 -0.239 0.000 0.799 140 E CB -0.755 28.756 29.700 -0.314 0.000 0.748 140 E HN 0.075 nan 8.360 nan 0.000 0.449 141 A N -0.175 122.264 122.820 -0.634 0.000 1.933 141 A HA -0.131 4.190 4.320 0.001 0.000 0.218 141 A C 2.233 179.597 177.584 -0.367 0.000 1.175 141 A CA 1.491 53.217 52.037 -0.519 0.000 0.628 141 A CB -0.970 17.759 19.000 -0.451 0.000 0.814 141 A HN 0.484 nan 8.150 nan 0.000 0.444 142 F N 1.875 121.523 119.950 -0.502 0.000 2.113 142 F HA -0.153 4.375 4.527 0.001 0.000 0.297 142 F C 2.552 178.022 175.800 -0.550 0.000 1.103 142 F CA 2.130 59.799 58.000 -0.552 0.000 1.248 142 F CB -0.238 38.330 39.000 -0.721 0.000 0.999 142 F HN 0.280 nan 8.300 nan 0.000 0.475 143 S N -0.934 114.311 115.700 -0.758 0.000 2.503 143 S HA 0.036 4.507 4.470 0.001 0.000 0.217 143 S C 0.754 175.142 174.600 -0.352 0.000 0.999 143 S CA -0.097 57.693 58.200 -0.684 0.000 0.914 143 S CB -0.634 62.302 63.200 -0.440 0.000 0.782 143 S HN 0.372 nan 8.310 nan 0.000 0.520 144 N N 1.760 120.332 118.700 -0.213 0.000 2.462 144 N HA 0.301 5.041 4.740 0.001 0.000 0.242 144 N C 0.343 175.869 175.510 0.025 0.000 1.010 144 N CA -0.330 52.725 53.050 0.009 0.000 0.939 144 N CB 0.720 39.346 38.487 0.232 0.000 1.127 144 N HN 0.315 nan 8.380 nan 0.000 0.509 145 L N 1.771 122.985 121.223 -0.016 0.000 2.552 145 L HA 0.023 4.364 4.340 0.001 0.000 0.227 145 L C 1.789 178.740 176.870 0.136 0.000 1.146 145 L CA 0.223 55.077 54.840 0.023 0.000 0.858 145 L CB -0.043 42.023 42.059 0.012 0.000 0.969 145 L HN 0.431 nan 8.230 nan 0.000 0.451 146 S N -1.320 114.428 115.700 0.080 0.000 2.453 146 S HA -0.044 4.427 4.470 0.001 0.000 0.231 146 S C 0.446 175.003 174.600 -0.072 0.000 1.005 146 S CA 0.547 58.761 58.200 0.024 0.000 0.949 146 S CB -0.153 63.084 63.200 0.061 0.000 0.774 146 S HN 0.229 nan 8.310 nan 0.000 0.510 147 Y N 0.432 120.660 120.300 -0.120 0.000 2.309 147 Y HA 0.279 4.830 4.550 0.001 0.000 0.327 147 Y C 0.177 175.964 175.900 -0.189 0.000 1.172 147 Y CA -0.926 56.961 58.100 -0.355 0.000 1.280 147 Y CB 0.239 38.507 38.460 -0.320 0.000 1.234 147 Y HN 0.061 nan 8.280 nan 0.000 0.512 148 Y N 0.959 121.281 120.300 0.038 0.000 2.497 148 Y HA 0.058 4.609 4.550 0.001 0.000 0.334 148 Y C 1.045 176.972 175.900 0.044 0.000 1.199 148 Y CA 0.002 58.153 58.100 0.085 0.000 1.425 148 Y CB 0.463 38.941 38.460 0.030 0.000 1.291 148 Y HN 0.556 nan 8.280 nan 0.000 0.562 149 T N 3.350 118.024 114.554 0.201 0.000 2.788 149 T HA 0.421 4.772 4.350 0.001 0.000 0.280 149 T C -0.317 174.442 174.700 0.097 0.000 0.984 149 T CA -0.677 61.468 62.100 0.075 0.000 0.972 149 T CB 0.334 69.203 68.868 0.001 0.000 1.039 149 T HN 0.437 nan 8.240 nan 0.000 0.530 150 R N 0.934 121.493 120.500 0.097 0.000 2.532 150 R HA 0.540 4.881 4.340 0.001 0.000 0.297 150 R C 0.604 177.030 176.300 0.210 0.000 0.984 150 R CA -0.452 55.725 56.100 0.128 0.000 0.884 150 R CB 1.417 31.786 30.300 0.114 0.000 1.182 150 R HN 0.717 nan 8.270 nan 0.000 0.442 151 A N 3.717 126.705 122.820 0.280 0.000 2.014 151 A HA 0.117 4.438 4.320 0.001 0.000 0.218 151 A C 0.653 178.385 177.584 0.247 0.000 1.163 151 A CA 0.998 53.244 52.037 0.347 0.000 0.652 151 A CB 0.207 19.594 19.000 0.645 0.000 0.808 151 A HN 0.478 nan 8.150 nan 0.000 0.449 152 L N 0.279 121.612 121.223 0.183 0.000 2.381 152 L HA 0.380 4.721 4.340 0.001 0.000 0.268 152 L C -2.553 174.251 176.870 -0.109 0.000 0.997 152 L CA -2.596 52.209 54.840 -0.058 0.000 0.818 152 L CB 2.655 44.469 42.059 -0.408 0.000 1.310 152 L HN -0.026 nan 8.230 nan 0.000 0.416 153 P HA 0.157 nan 4.420 nan 0.000 0.269 153 P C -2.677 174.492 177.300 -0.220 0.000 1.215 153 P CA -1.263 61.585 63.100 -0.420 0.000 0.780 153 P CB -0.310 30.925 31.700 -0.776 0.000 0.898 154 P HA 0.015 nan 4.420 nan 0.000 0.269 154 P C -0.307 176.939 177.300 -0.090 0.000 1.215 154 P CA -0.055 63.014 63.100 -0.052 0.000 0.780 154 P CB 0.169 31.865 31.700 -0.006 0.000 0.898 155 V N 1.524 121.413 119.914 -0.042 0.000 2.599 155 V HA 0.151 4.272 4.120 0.001 0.000 0.300 155 V C 1.053 177.115 176.094 -0.054 0.000 1.034 155 V CA -0.080 62.186 62.300 -0.057 0.000 1.115 155 V CB -0.350 31.467 31.823 -0.010 0.000 0.934 155 V HN 0.713 nan 8.190 nan 0.000 0.485 156 A N 3.686 126.447 122.820 -0.099 0.000 2.507 156 A HA 0.099 4.420 4.320 0.001 0.000 0.235 156 A C 1.199 178.791 177.584 0.012 0.000 1.070 156 A CA -0.186 51.810 52.037 -0.068 0.000 0.768 156 A CB -0.070 18.851 19.000 -0.132 0.000 1.011 156 A HN 0.910 nan 8.150 nan 0.000 0.502 157 D N 0.314 120.741 120.400 0.045 0.000 2.182 157 D HA -0.137 4.504 4.640 0.001 0.000 0.201 157 D C 1.008 177.348 176.300 0.066 0.000 0.986 157 D CA 2.005 56.039 54.000 0.058 0.000 0.847 157 D CB 0.010 40.849 40.800 0.065 0.000 0.942 157 D HN 0.766 nan 8.370 nan 0.000 0.467 158 D N -0.856 119.600 120.400 0.093 0.000 2.398 158 D HA -0.018 4.623 4.640 0.001 0.000 0.210 158 D C 0.038 176.397 176.300 0.098 0.000 1.094 158 D CA -0.391 53.674 54.000 0.108 0.000 0.839 158 D CB -0.950 39.938 40.800 0.146 0.000 0.963 158 D HN -0.011 nan 8.370 nan 0.000 0.506 159 c N 3.018 121.649 118.600 0.052 0.000 2.502 159 c HA 0.040 4.611 4.570 0.001 0.000 0.404 159 c C -0.473 173.569 174.090 -0.079 0.000 1.409 159 c CA -0.655 55.644 56.329 -0.050 0.000 1.648 159 c CB 0.529 43.007 42.510 -0.052 0.000 2.571 159 c HN 0.354 nan 8.230 nan 0.000 0.601 160 P HA 0.000 nan 4.420 nan 0.000 0.242 160 P C 0.294 177.559 177.300 -0.059 0.000 1.197 160 P CA 1.127 64.165 63.100 -0.103 0.000 0.765 160 P CB 0.200 31.809 31.700 -0.153 0.000 0.936 161 T N -0.402 114.116 114.554 -0.060 0.000 2.916 161 T HA 0.356 4.707 4.350 0.001 0.000 0.305 161 T C -2.253 172.445 174.700 -0.004 0.000 1.119 161 T CA -1.475 60.612 62.100 -0.022 0.000 1.008 161 T CB 2.096 70.952 68.868 -0.021 0.000 1.129 161 T HN -0.335 nan 8.240 nan 0.000 0.480 162 P HA -0.039 nan 4.420 nan 0.000 0.216 162 P C 1.234 178.561 177.300 0.044 0.000 1.150 162 P CA 1.190 64.312 63.100 0.038 0.000 0.843 162 P CB 0.157 31.890 31.700 0.054 0.000 0.787 163 M N -2.818 116.809 119.600 0.044 0.000 2.428 163 M HA 0.306 4.787 4.480 0.001 0.000 0.239 163 M C 1.326 177.625 176.300 -0.001 0.000 1.121 163 M CA 0.662 55.986 55.300 0.041 0.000 1.019 163 M CB -0.264 32.374 32.600 0.063 0.000 1.485 163 M HN 0.110 nan 8.290 nan 0.000 0.484 164 G N -0.517 108.271 108.800 -0.021 0.000 2.083 164 G HA2 -0.152 3.809 3.960 0.001 0.000 0.199 164 G HA3 -0.152 3.809 3.960 0.001 0.000 0.199 164 G C 0.419 175.267 174.900 -0.086 0.000 2.367 164 G CA 0.051 45.118 45.100 -0.055 0.000 1.555 164 G HN 0.107 nan 8.290 nan 0.000 0.490 165 V N 1.476 121.354 119.914 -0.060 0.000 3.245 165 V HA 0.337 4.458 4.120 0.001 0.000 0.246 165 V C 0.802 176.884 176.094 -0.021 0.000 1.487 165 V CA 1.157 63.419 62.300 -0.064 0.000 1.154 165 V CB 0.725 32.516 31.823 -0.052 0.000 0.971 165 V HN 0.385 nan 8.190 nan 0.000 0.443 166 K N 0.554 120.953 120.400 -0.001 0.000 2.090 166 K HA 0.589 4.910 4.320 0.001 0.000 0.250 166 K C 0.524 177.148 176.600 0.040 0.000 1.004 166 K CA 0.500 56.799 56.287 0.021 0.000 0.919 166 K CB 1.038 33.553 32.500 0.025 0.000 1.045 166 K HN 0.381 nan 8.250 nan 0.000 0.471 167 G N 1.027 109.861 108.800 0.057 0.000 2.725 167 G HA2 -0.254 3.706 3.960 0.001 0.000 0.220 167 G HA3 -0.254 3.706 3.960 0.001 0.000 0.220 167 G C -0.779 174.152 174.900 0.051 0.000 1.357 167 G CA -0.637 44.509 45.100 0.076 0.000 0.866 167 G HN 0.747 nan 8.290 nan 0.000 0.548 168 N N -0.262 118.468 118.700 0.049 0.000 2.408 168 N HA 0.444 5.185 4.740 0.001 0.000 0.260 168 N C 1.272 176.793 175.510 0.019 0.000 1.242 168 N CA -0.312 52.754 53.050 0.026 0.000 0.959 168 N CB 0.519 39.013 38.487 0.012 0.000 1.201 168 N HN 0.562 nan 8.380 nan 0.000 0.511 169 K N 0.410 120.816 120.400 0.010 0.000 2.147 169 K HA 0.001 4.322 4.320 0.001 0.000 0.205 169 K C -0.212 176.392 176.600 0.007 0.000 1.049 169 K CA 1.238 57.530 56.287 0.008 0.000 0.936 169 K CB 0.099 32.603 32.500 0.006 0.000 0.722 169 K HN 0.510 nan 8.250 nan 0.000 0.446 170 E N -0.003 120.197 120.200 -0.001 0.000 2.212 170 E HA 0.250 4.601 4.350 0.001 0.000 0.268 170 E C -0.664 175.925 176.600 -0.020 0.000 0.902 170 E CA -0.636 55.760 56.400 -0.008 0.000 0.779 170 E CB 1.919 31.609 29.700 -0.017 0.000 1.172 170 E HN -0.041 nan 8.360 nan 0.000 0.409 171 L N 3.350 124.563 121.223 -0.016 0.000 2.473 171 L HA 0.184 4.525 4.340 0.001 0.000 0.268 171 L C -1.738 175.053 176.870 -0.131 0.000 1.215 171 L CA -1.530 53.277 54.840 -0.055 0.000 0.823 171 L CB -0.134 41.929 42.059 0.007 0.000 1.099 171 L HN 0.318 nan 8.230 nan 0.000 0.483 172 P HA -0.059 nan 4.420 nan 0.000 0.267 172 P C -0.815 176.389 177.300 -0.159 0.000 1.200 172 P CA -0.295 62.644 63.100 -0.268 0.000 0.772 172 P CB 0.383 31.789 31.700 -0.490 0.000 0.855 173 D N 1.257 121.592 120.400 -0.108 0.000 2.533 173 D HA -0.067 4.574 4.640 0.001 0.000 0.236 173 D C 1.271 177.540 176.300 -0.052 0.000 1.137 173 D CA 0.442 54.404 54.000 -0.064 0.000 0.867 173 D CB 0.740 41.509 40.800 -0.050 0.000 1.170 173 D HN 0.302 nan 8.370 nan 0.000 0.474 174 S N 3.801 119.487 115.700 -0.024 0.000 2.402 174 S HA -0.194 4.277 4.470 0.001 0.000 0.229 174 S C 1.775 176.382 174.600 0.012 0.000 1.021 174 S CA 0.918 59.122 58.200 0.006 0.000 0.974 174 S CB -0.048 63.162 63.200 0.017 0.000 0.800 174 S HN 0.594 nan 8.310 nan 0.000 0.484 175 K N 1.334 121.732 120.400 -0.002 0.000 2.103 175 K HA -0.116 4.205 4.320 0.001 0.000 0.207 175 K C 2.324 178.921 176.600 -0.004 0.000 1.048 175 K CA 1.573 57.859 56.287 -0.001 0.000 0.930 175 K CB -0.190 32.305 32.500 -0.008 0.000 0.716 175 K HN 0.590 nan 8.250 nan 0.000 0.444 176 E N -0.355 119.834 120.200 -0.017 0.000 2.072 176 E HA -0.143 4.208 4.350 0.001 0.000 0.191 176 E C 1.794 178.386 176.600 -0.014 0.000 0.985 176 E CA 1.137 57.522 56.400 -0.025 0.000 0.801 176 E CB 0.213 29.884 29.700 -0.049 0.000 0.750 176 E HN 0.112 nan 8.360 nan 0.000 0.452 177 V N 1.421 121.332 119.914 -0.004 0.000 2.261 177 V HA -0.275 3.846 4.120 0.001 0.000 0.246 177 V C 2.452 178.576 176.094 0.050 0.000 1.047 177 V CA 1.716 64.042 62.300 0.044 0.000 1.015 177 V CB -0.631 31.253 31.823 0.103 0.000 0.642 177 V HN 0.346 nan 8.190 nan 0.000 0.446 178 L N 0.391 121.644 121.223 0.050 0.000 1.990 178 L HA -0.227 4.113 4.340 0.001 0.000 0.213 178 L C 2.438 179.325 176.870 0.028 0.000 1.072 178 L CA 2.179 57.050 54.840 0.051 0.000 0.755 178 L CB -0.692 41.396 42.059 0.049 0.000 0.889 178 L HN 0.373 nan 8.230 nan 0.000 0.432 179 E N -0.602 119.606 120.200 0.014 0.000 2.072 179 E HA -0.210 4.141 4.350 0.001 0.000 0.191 179 E C 2.143 178.744 176.600 0.002 0.000 0.985 179 E CA 1.352 57.755 56.400 0.005 0.000 0.801 179 E CB -0.070 29.629 29.700 -0.002 0.000 0.750 179 E HN 0.547 nan 8.360 nan 0.000 0.452 180 K N 0.294 120.694 120.400 0.000 0.000 2.116 180 K HA -0.065 4.256 4.320 0.001 0.000 0.203 180 K C 2.017 178.614 176.600 -0.004 0.000 1.052 180 K CA 1.481 57.764 56.287 -0.006 0.000 0.952 180 K CB 0.388 32.880 32.500 -0.013 0.000 0.729 180 K HN 0.136 nan 8.250 nan 0.000 0.446 181 V N -3.212 116.705 119.914 0.005 0.000 3.451 181 V HA 0.186 4.307 4.120 0.001 0.000 0.288 181 V C 1.180 177.271 176.094 -0.004 0.000 1.502 181 V CA -0.101 62.198 62.300 -0.001 0.000 1.026 181 V CB -0.056 31.770 31.823 0.005 0.000 0.840 181 V HN 0.059 nan 8.190 nan 0.000 0.437 182 L N -0.100 121.128 121.223 0.008 0.000 2.433 182 L HA 0.426 4.767 4.340 0.001 0.000 0.200 182 L C 0.930 177.815 176.870 0.025 0.000 1.059 182 L CA 0.181 55.030 54.840 0.015 0.000 0.835 182 L CB 0.206 42.287 42.059 0.037 0.000 1.076 182 L HN 0.181 nan 8.230 nan 0.000 0.481 183 L N 1.643 122.879 121.223 0.022 0.000 2.456 183 L HA 0.060 4.401 4.340 0.001 0.000 0.272 183 L C 0.772 177.652 176.870 0.017 0.000 1.189 183 L CA 0.090 54.942 54.840 0.020 0.000 0.846 183 L CB 0.325 42.390 42.059 0.010 0.000 1.111 183 L HN 0.223 nan 8.230 nan 0.000 0.475 184 R N 2.567 123.082 120.500 0.026 0.000 2.489 184 R HA 0.064 4.405 4.340 0.001 0.000 0.287 184 R C 0.480 176.795 176.300 0.025 0.000 1.053 184 R CA -0.436 55.683 56.100 0.030 0.000 1.036 184 R CB 0.688 31.026 30.300 0.064 0.000 0.966 184 R HN 0.576 nan 8.270 nan 0.000 0.432 185 R N 3.018 123.528 120.500 0.018 0.000 2.024 185 R HA 0.111 4.452 4.340 0.001 0.000 0.216 185 R C 0.232 176.553 176.300 0.034 0.000 1.259 185 R CA 0.806 56.917 56.100 0.018 0.000 1.001 185 R CB -0.789 29.515 30.300 0.007 0.000 0.881 185 R HN 0.649 nan 8.270 nan 0.000 0.459 186 E N 0.522 120.741 120.200 0.031 0.000 2.204 186 E HA 0.195 4.546 4.350 0.001 0.000 0.276 186 E C -1.195 175.453 176.600 0.079 0.000 0.974 186 E CA -0.783 55.651 56.400 0.057 0.000 0.815 186 E CB 0.933 30.651 29.700 0.031 0.000 1.119 186 E HN -0.012 nan 8.360 nan 0.000 0.393 187 F N 4.992 124.932 119.950 -0.017 0.000 2.557 187 F HA 0.186 4.714 4.527 0.001 0.000 0.384 187 F C -0.652 175.133 175.800 -0.025 0.000 1.057 187 F CA 0.097 58.085 58.000 -0.020 0.000 1.169 187 F CB 0.153 39.138 39.000 -0.026 0.000 1.070 187 F HN 0.329 nan 8.300 nan 0.000 0.554 188 I N 9.355 129.512 120.570 -0.688 0.000 2.307 188 I HA 0.275 4.446 4.170 0.001 0.000 0.289 188 I C -2.164 173.356 176.117 -0.996 0.000 1.021 188 I CA -2.090 58.836 61.300 -0.623 0.000 1.224 188 I CB 0.840 38.642 38.000 -0.329 0.000 1.376 188 I HN 0.471 nan 8.210 nan 0.000 0.470 189 P HA 0.048 nan 4.420 nan 0.000 0.275 189 P C -0.750 176.371 177.300 -0.299 0.000 1.228 189 P CA -0.374 62.429 63.100 -0.495 0.000 0.786 189 P CB 0.544 32.173 31.700 -0.120 0.000 0.927 190 D N 3.910 124.184 120.400 -0.209 0.000 2.363 190 D HA 0.013 4.654 4.640 0.001 0.000 0.263 190 D C -1.172 175.030 176.300 -0.163 0.000 1.258 190 D CA -1.754 52.124 54.000 -0.203 0.000 0.907 190 D CB 0.246 40.923 40.800 -0.204 0.000 1.107 190 D HN 0.187 nan 8.370 nan 0.000 0.495 191 P HA -0.172 nan 4.420 nan 0.000 0.222 191 P C 0.898 178.116 177.300 -0.137 0.000 1.147 191 P CA 1.013 64.033 63.100 -0.133 0.000 0.790 191 P CB 0.271 31.893 31.700 -0.130 0.000 0.780 192 Q N -1.108 118.574 119.800 -0.196 0.000 2.472 192 Q HA 0.135 4.476 4.340 0.001 0.000 0.208 192 Q C 1.133 177.074 176.000 -0.097 0.000 0.958 192 Q CA 0.655 56.332 55.803 -0.211 0.000 0.932 192 Q CB -0.343 28.158 28.738 -0.395 0.000 1.007 192 Q HN 0.287 nan 8.270 nan 0.000 0.508 193 G N 0.895 109.652 108.800 -0.072 0.000 2.137 193 G HA2 -0.243 3.717 3.960 0.001 0.000 0.237 193 G HA3 -0.243 3.717 3.960 0.001 0.000 0.237 193 G C -0.082 174.827 174.900 0.015 0.000 1.002 193 G CA 0.173 45.269 45.100 -0.006 0.000 0.702 193 G HN 0.261 nan 8.290 nan 0.000 0.515 194 S N 1.000 116.688 115.700 -0.020 0.000 2.546 194 S HA 0.364 4.835 4.470 0.001 0.000 0.290 194 S C 0.863 175.475 174.600 0.020 0.000 1.290 194 S CA 0.524 58.680 58.200 -0.073 0.000 1.069 194 S CB 0.618 63.680 63.200 -0.230 0.000 0.846 194 S HN 0.966 nan 8.310 nan 0.000 0.495 195 N N 2.059 120.807 118.700 0.079 0.000 2.604 195 N HA 0.336 5.077 4.740 0.001 0.000 0.297 195 N C 0.612 176.229 175.510 0.179 0.000 1.266 195 N CA -0.890 52.242 53.050 0.136 0.000 0.961 195 N CB 0.005 38.583 38.487 0.152 0.000 1.166 195 N HN 0.253 nan 8.380 nan 0.000 0.601 196 M N -0.421 119.249 119.600 0.116 0.000 2.476 196 M HA 0.090 4.571 4.480 0.001 0.000 0.262 196 M C 1.350 177.758 176.300 0.179 0.000 1.079 196 M CA 0.911 56.185 55.300 -0.042 0.000 1.104 196 M CB -1.045 31.355 32.600 -0.333 0.000 1.409 196 M HN 0.528 nan 8.290 nan 0.000 0.467 197 M N -1.140 118.698 119.600 0.397 0.000 2.132 197 M HA -0.156 4.324 4.480 0.001 0.000 0.263 197 M C 2.254 179.003 176.300 0.748 0.000 1.065 197 M CA 1.445 57.115 55.300 0.617 0.000 1.122 197 M CB -1.397 31.508 32.600 0.509 0.000 1.365 197 M HN 0.225 nan 8.290 nan 0.000 0.411 198 F N 1.247 121.460 119.950 0.438 0.000 2.102 198 F HA -0.117 4.411 4.527 0.001 0.000 0.298 198 F C 2.342 178.249 175.800 0.179 0.000 1.105 198 F CA 1.770 59.834 58.000 0.107 0.000 1.239 198 F CB -0.361 38.588 39.000 -0.086 0.000 0.991 198 F HN 0.109 nan 8.300 nan 0.000 0.474 199 A N 0.038 122.958 122.820 0.167 0.000 1.902 199 A HA -0.164 4.157 4.320 0.001 0.000 0.217 199 A C 2.020 179.523 177.584 -0.135 0.000 1.181 199 A CA 1.806 53.820 52.037 -0.039 0.000 0.623 199 A CB -1.482 17.429 19.000 -0.148 0.000 0.818 199 A HN 0.437 nan 8.150 nan 0.000 0.443 200 F N -1.765 118.285 119.950 0.168 0.000 2.259 200 F HA 0.034 4.562 4.527 0.001 0.000 0.298 200 F C 1.908 177.784 175.800 0.126 0.000 1.088 200 F CA 0.565 58.685 58.000 0.200 0.000 1.358 200 F CB -0.755 38.433 39.000 0.314 0.000 1.040 200 F HN 0.335 nan 8.300 nan 0.000 0.505 201 F N 0.783 120.786 119.950 0.089 0.000 2.134 201 F HA -0.143 4.385 4.527 0.001 0.000 0.299 201 F C 2.373 178.027 175.800 -0.242 0.000 1.097 201 F CA 1.329 59.104 58.000 -0.375 0.000 1.264 201 F CB -0.520 38.346 39.000 -0.224 0.000 1.001 201 F HN -0.075 nan 8.300 nan 0.000 0.479 202 A N -0.232 122.583 122.820 -0.009 0.000 1.883 202 A HA -0.290 4.031 4.320 0.001 0.000 0.217 202 A C 2.236 179.729 177.584 -0.153 0.000 1.186 202 A CA 1.972 54.014 52.037 0.009 0.000 0.624 202 A CB -1.063 17.988 19.000 0.086 0.000 0.822 202 A HN 0.596 nan 8.150 nan 0.000 0.444 203 Q N -1.592 118.120 119.800 -0.146 0.000 2.083 203 Q HA -0.212 4.129 4.340 0.001 0.000 0.198 203 Q C 2.146 177.901 176.000 -0.409 0.000 0.969 203 Q CA 1.385 57.014 55.803 -0.291 0.000 0.838 203 Q CB -0.298 28.324 28.738 -0.193 0.000 0.900 203 Q HN 0.887 nan 8.270 nan 0.000 0.436 204 H N -0.472 118.359 119.070 -0.398 0.000 2.321 204 H HA -0.162 4.395 4.556 0.001 0.000 0.300 204 H C 1.929 177.077 175.328 -0.300 0.000 1.087 204 H CA 1.708 57.509 56.048 -0.412 0.000 1.319 204 H CB -0.247 29.261 29.762 -0.424 0.000 1.379 204 H HN 0.309 nan 8.280 nan 0.000 0.501 205 F N 1.995 121.559 119.950 -0.643 0.000 2.069 205 F HA -0.221 4.307 4.527 0.001 0.000 0.298 205 F C 2.808 177.995 175.800 -1.022 0.000 1.113 205 F CA 2.504 60.015 58.000 -0.816 0.000 1.214 205 F CB -0.908 37.558 39.000 -0.890 0.000 0.978 205 F HN 0.249 nan 8.300 nan 0.000 0.474 206 T N -3.053 110.827 114.554 -1.123 0.000 2.995 206 T HA -0.164 4.186 4.350 0.001 0.000 0.269 206 T C 1.774 175.635 174.700 -1.398 0.000 1.091 206 T CA 1.555 62.591 62.100 -1.774 0.000 1.128 206 T CB -1.080 67.058 68.868 -1.218 0.000 0.891 206 T HN 0.551 nan 8.240 nan 0.000 0.492 207 H N 1.486 120.030 119.070 -0.878 0.000 2.563 207 H HA 0.032 4.589 4.556 0.001 0.000 0.272 207 H C 2.558 177.507 175.328 -0.632 0.000 1.005 207 H CA 0.916 56.647 56.048 -0.528 0.000 1.171 207 H CB 0.154 29.867 29.762 -0.082 0.000 1.351 207 H HN 0.722 nan 8.280 nan 0.000 0.602 208 Q N 0.937 120.203 119.800 -0.889 0.000 2.187 208 Q HA -0.105 4.236 4.340 0.001 0.000 0.199 208 Q C 1.251 176.882 176.000 -0.615 0.000 0.957 208 Q CA 1.338 56.660 55.803 -0.800 0.000 0.857 208 Q CB -0.230 27.843 28.738 -1.109 0.000 0.929 208 Q HN 0.585 nan 8.270 nan 0.000 0.453 209 F N -2.819 116.713 119.950 -0.698 0.000 2.746 209 F HA 0.470 4.998 4.527 0.001 0.000 0.313 209 F C -0.209 175.299 175.800 -0.486 0.000 1.095 209 F CA -1.149 56.478 58.000 -0.622 0.000 1.224 209 F CB 0.477 39.080 39.000 -0.661 0.000 1.060 209 F HN -0.220 nan 8.300 nan 0.000 0.584 210 F N 3.671 123.401 119.950 -0.367 0.000 2.303 210 F HA 0.482 5.009 4.527 0.001 0.000 0.368 210 F C -0.057 175.551 175.800 -0.321 0.000 1.105 210 F CA -1.548 56.302 58.000 -0.249 0.000 1.153 210 F CB 0.761 39.496 39.000 -0.441 0.000 1.362 210 F HN -0.047 nan 8.300 nan 0.000 0.511 211 K N 2.188 122.583 120.400 -0.008 0.000 2.827 211 K HA 0.213 4.533 4.320 0.001 0.000 0.186 211 K C -0.474 176.058 176.600 -0.112 0.000 1.093 211 K CA -0.324 55.883 56.287 -0.133 0.000 0.993 211 K CB 1.146 33.529 32.500 -0.195 0.000 1.199 211 K HN 0.347 nan 8.250 nan 0.000 0.598 212 T N 1.368 115.869 114.554 -0.087 0.000 2.853 212 T HA -0.040 4.310 4.350 0.001 0.000 0.298 212 T C 0.161 174.657 174.700 -0.341 0.000 0.978 212 T CA 0.217 62.200 62.100 -0.195 0.000 1.152 212 T CB 0.387 69.053 68.868 -0.336 0.000 0.914 212 T HN 0.248 nan 8.240 nan 0.000 0.539 213 D N 1.728 121.985 120.400 -0.238 0.000 2.470 213 D HA 0.089 4.730 4.640 0.001 0.000 0.226 213 D C 0.967 177.166 176.300 -0.169 0.000 1.196 213 D CA -0.183 53.714 54.000 -0.172 0.000 0.979 213 D CB 0.113 40.831 40.800 -0.136 0.000 1.059 213 D HN 0.587 nan 8.370 nan 0.000 0.515 214 H N 1.880 120.935 119.070 -0.025 0.000 2.456 214 H HA -0.102 4.455 4.556 0.001 0.000 0.296 214 H C 2.241 177.543 175.328 -0.043 0.000 1.079 214 H CA 2.115 58.152 56.048 -0.018 0.000 1.322 214 H CB 0.339 30.093 29.762 -0.014 0.000 1.388 214 H HN 0.408 nan 8.280 nan 0.000 0.538 215 K N 1.489 121.905 120.400 0.026 0.000 2.147 215 K HA -0.085 4.236 4.320 0.001 0.000 0.205 215 K C 2.055 178.590 176.600 -0.109 0.000 1.049 215 K CA 1.604 57.868 56.287 -0.037 0.000 0.936 215 K CB -0.312 32.154 32.500 -0.058 0.000 0.722 215 K HN 0.393 nan 8.250 nan 0.000 0.446 216 R N -1.636 118.748 120.500 -0.194 0.000 2.128 216 R HA 0.275 4.616 4.340 0.001 0.000 0.211 216 R C 0.752 176.910 176.300 -0.237 0.000 1.067 216 R CA 0.661 56.527 56.100 -0.391 0.000 1.010 216 R CB 0.564 30.359 30.300 -0.842 0.000 0.922 216 R HN 0.555 nan 8.270 nan 0.000 0.457 217 G N -0.232 108.542 108.800 -0.042 0.000 2.347 217 G HA2 -0.071 3.890 3.960 0.001 0.000 0.321 217 G HA3 -0.071 3.890 3.960 0.001 0.000 0.321 217 G C -2.584 172.410 174.900 0.157 0.000 1.412 217 G CA -0.945 44.222 45.100 0.113 0.000 0.990 217 G HN -0.221 nan 8.290 nan 0.000 0.637 218 P HA 0.021 nan 4.420 nan 0.000 0.225 218 P C 1.568 178.955 177.300 0.146 0.000 1.148 218 P CA 1.623 64.762 63.100 0.065 0.000 0.779 218 P CB 0.047 31.755 31.700 0.013 0.000 0.780 219 G N -1.879 107.010 108.800 0.147 0.000 3.181 219 G HA2 0.152 4.113 3.960 0.001 0.000 0.219 219 G HA3 0.152 4.113 3.960 0.001 0.000 0.219 219 G C -0.140 174.620 174.900 -0.232 0.000 1.182 219 G CA -0.095 45.023 45.100 0.030 0.000 0.791 219 G HN 0.156 nan 8.290 nan 0.000 0.537 220 F N -0.689 119.221 119.950 -0.067 0.000 2.532 220 F HA 0.590 5.118 4.527 0.001 0.000 0.321 220 F C 0.258 175.738 175.800 -0.534 0.000 1.089 220 F CA -0.814 56.991 58.000 -0.326 0.000 0.926 220 F CB 2.637 41.448 39.000 -0.316 0.000 1.168 220 F HN -0.160 nan 8.300 nan 0.000 0.459 221 T N 1.117 115.343 114.554 -0.546 0.000 2.912 221 T HA 0.442 4.793 4.350 0.001 0.000 0.288 221 T C 0.580 175.082 174.700 -0.330 0.000 1.030 221 T CA -0.516 61.205 62.100 -0.632 0.000 1.020 221 T CB 1.299 69.535 68.868 -1.054 0.000 1.056 221 T HN 0.731 nan 8.240 nan 0.000 0.480 222 R N 1.564 121.902 120.500 -0.270 0.000 2.362 222 R HA 0.275 4.616 4.340 0.001 0.000 0.227 222 R C 1.241 177.412 176.300 -0.215 0.000 0.905 222 R CA -0.049 55.931 56.100 -0.200 0.000 1.067 222 R CB 0.547 30.752 30.300 -0.158 0.000 1.078 222 R HN 0.605 nan 8.270 nan 0.000 0.516 223 G N 0.766 109.394 108.800 -0.286 0.000 2.977 223 G HA2 0.182 4.143 3.960 0.001 0.000 0.306 223 G HA3 0.182 4.143 3.960 0.001 0.000 0.306 223 G C 0.598 175.274 174.900 -0.373 0.000 0.885 223 G CA -0.384 44.543 45.100 -0.290 0.000 1.649 223 G HN 0.152 nan 8.290 nan 0.000 0.514 224 L N 1.654 122.745 121.223 -0.221 0.000 2.376 224 L HA 0.055 4.396 4.340 0.001 0.000 0.219 224 L C 2.704 179.572 176.870 -0.002 0.000 1.133 224 L CA 0.776 55.549 54.840 -0.112 0.000 0.816 224 L CB 0.106 42.136 42.059 -0.047 0.000 0.933 224 L HN 0.516 nan 8.230 nan 0.000 0.449 225 G N -2.162 106.603 108.800 -0.059 0.000 2.534 225 G HA2 -0.171 3.790 3.960 0.001 0.000 0.217 225 G HA3 -0.171 3.790 3.960 0.001 0.000 0.217 225 G C 0.587 175.514 174.900 0.045 0.000 1.128 225 G CA -0.085 45.012 45.100 -0.005 0.000 0.784 225 G HN 0.568 nan 8.290 nan 0.000 0.542 226 H N -0.457 118.567 119.070 -0.076 0.000 2.692 226 H HA -0.168 4.389 4.556 0.001 0.000 0.316 226 H C 1.169 176.421 175.328 -0.127 0.000 1.176 226 H CA 1.138 57.137 56.048 -0.082 0.000 1.142 226 H CB -1.351 28.361 29.762 -0.083 0.000 1.475 226 H HN 0.810 nan 8.280 nan 0.000 0.423 227 G N -1.688 107.061 108.800 -0.085 0.000 2.404 227 G HA2 0.175 4.136 3.960 0.001 0.000 0.253 227 G HA3 0.175 4.136 3.960 0.001 0.000 0.253 227 G C -0.783 174.075 174.900 -0.070 0.000 1.253 227 G CA -0.267 44.727 45.100 -0.176 0.000 0.917 227 G HN 0.181 nan 8.290 nan 0.000 0.480 228 V N 2.512 122.399 119.914 -0.045 0.000 2.153 228 V HA 0.286 4.407 4.120 0.001 0.000 0.250 228 V C 0.387 176.502 176.094 0.035 0.000 1.334 228 V CA 0.820 63.129 62.300 0.015 0.000 1.249 228 V CB 0.186 32.075 31.823 0.110 0.000 1.371 228 V HN 0.741 nan 8.190 nan 0.000 0.498 229 D N 2.725 123.133 120.400 0.013 0.000 2.398 229 D HA 0.056 4.697 4.640 0.001 0.000 0.210 229 D C 0.962 177.336 176.300 0.123 0.000 1.094 229 D CA -0.363 53.668 54.000 0.052 0.000 0.839 229 D CB 0.088 40.904 40.800 0.025 0.000 0.963 229 D HN 0.340 nan 8.370 nan 0.000 0.506 230 L N 0.813 122.108 121.223 0.120 0.000 3.843 230 L HA -0.344 3.997 4.340 0.001 0.000 0.411 230 L C 0.916 177.966 176.870 0.300 0.000 1.205 230 L CA 0.670 55.669 54.840 0.265 0.000 0.945 230 L CB -2.431 39.788 42.059 0.268 0.000 1.929 230 L HN 0.287 nan 8.230 nan 0.000 0.934 231 N N 0.077 118.877 118.700 0.167 0.000 2.364 231 N HA -0.210 4.531 4.740 0.001 0.000 0.183 231 N C 1.764 177.291 175.510 0.029 0.000 1.022 231 N CA 1.713 54.818 53.050 0.092 0.000 0.883 231 N CB -0.246 38.233 38.487 -0.012 0.000 0.965 231 N HN 0.725 nan 8.380 nan 0.000 0.438 232 H N -0.573 118.348 119.070 -0.249 0.000 2.545 232 H HA 0.092 4.648 4.556 0.001 0.000 0.282 232 H C 1.401 176.593 175.328 -0.228 0.000 1.020 232 H CA 0.792 56.623 56.048 -0.361 0.000 1.243 232 H CB -0.347 29.161 29.762 -0.424 0.000 1.377 232 H HN 0.447 nan 8.280 nan 0.000 0.581 233 I N -1.063 119.260 120.570 -0.411 0.000 3.300 233 I HA -0.045 4.125 4.170 0.001 0.000 0.279 233 I C 1.261 177.123 176.117 -0.424 0.000 1.172 233 I CA 0.192 61.172 61.300 -0.534 0.000 1.431 233 I CB 0.059 37.523 38.000 -0.894 0.000 1.240 233 I HN -0.021 nan 8.210 nan 0.000 0.453 234 Y N 1.347 121.636 120.300 -0.019 0.000 2.478 234 Y HA 0.463 5.013 4.550 0.001 0.000 0.261 234 Y C 1.154 177.074 175.900 0.033 0.000 1.127 234 Y CA 0.085 58.214 58.100 0.048 0.000 1.288 234 Y CB 0.098 38.632 38.460 0.124 0.000 1.084 234 Y HN 0.137 nan 8.280 nan 0.000 0.530 235 G N 0.844 109.704 108.800 0.100 0.000 2.788 235 G HA2 -0.215 3.746 3.960 0.001 0.000 0.686 235 G HA3 -0.215 3.746 3.960 0.001 0.000 0.686 235 G C 0.092 175.012 174.900 0.033 0.000 1.147 235 G CA -0.123 44.999 45.100 0.038 0.000 0.755 235 G HN 0.168 nan 8.290 nan 0.000 0.634 236 E N -0.239 119.947 120.200 -0.023 0.000 2.107 236 E HA 0.090 4.441 4.350 0.001 0.000 0.191 236 E C 1.857 178.442 176.600 -0.026 0.000 0.982 236 E CA 2.190 58.568 56.400 -0.036 0.000 0.809 236 E CB 0.047 29.701 29.700 -0.075 0.000 0.756 236 E HN 1.153 nan 8.360 nan 0.000 0.459 237 T N -2.135 112.402 114.554 -0.028 0.000 2.945 237 T HA 0.260 4.610 4.350 0.001 0.000 0.286 237 T C 0.990 175.661 174.700 -0.048 0.000 1.025 237 T CA -0.622 61.455 62.100 -0.039 0.000 1.039 237 T CB 1.252 70.093 68.868 -0.046 0.000 1.068 237 T HN 0.047 nan 8.240 nan 0.000 0.497 238 L N 0.795 121.962 121.223 -0.093 0.000 2.083 238 L HA -0.014 4.327 4.340 0.001 0.000 0.209 238 L C 2.058 178.776 176.870 -0.253 0.000 1.083 238 L CA 1.888 56.603 54.840 -0.208 0.000 0.752 238 L CB -0.927 40.973 42.059 -0.265 0.000 0.899 238 L HN 0.745 nan 8.230 nan 0.000 0.433 239 D N -0.706 119.611 120.400 -0.137 0.000 2.104 239 D HA -0.250 4.391 4.640 0.001 0.000 0.194 239 D C 2.275 178.576 176.300 0.002 0.000 0.994 239 D CA 1.393 55.357 54.000 -0.059 0.000 0.830 239 D CB -0.043 40.736 40.800 -0.035 0.000 0.959 239 D HN 0.335 nan 8.370 nan 0.000 0.452 240 R N 0.572 121.070 120.500 -0.004 0.000 2.066 240 R HA -0.117 4.224 4.340 0.001 0.000 0.232 240 R C 2.340 178.671 176.300 0.053 0.000 1.131 240 R CA 1.278 57.391 56.100 0.022 0.000 0.955 240 R CB -0.128 30.174 30.300 0.004 0.000 0.851 240 R HN 0.152 nan 8.270 nan 0.000 0.432 241 Q N -0.168 119.664 119.800 0.054 0.000 2.062 241 Q HA -0.256 4.084 4.340 0.001 0.000 0.209 241 Q C 1.704 177.764 176.000 0.100 0.000 0.996 241 Q CA 2.057 57.911 55.803 0.085 0.000 0.859 241 Q CB -0.208 28.585 28.738 0.093 0.000 0.920 241 Q HN 0.663 nan 8.270 nan 0.000 0.415 242 H N -0.748 118.321 119.070 -0.002 0.000 2.457 242 H HA -0.030 4.527 4.556 0.001 0.000 0.294 242 H C 1.847 177.279 175.328 0.173 0.000 1.064 242 H CA 0.736 56.862 56.048 0.130 0.000 1.330 242 H CB 0.334 30.247 29.762 0.253 0.000 1.395 242 H HN 0.217 nan 8.280 nan 0.000 0.541 243 K N 0.482 121.005 120.400 0.205 0.000 2.296 243 K HA -0.006 4.315 4.320 0.001 0.000 0.200 243 K C 1.602 178.257 176.600 0.091 0.000 1.048 243 K CA 0.432 56.801 56.287 0.137 0.000 0.966 243 K CB 0.348 32.903 32.500 0.092 0.000 0.754 243 K HN 0.244 nan 8.250 nan 0.000 0.466 244 L N 0.048 121.306 121.223 0.058 0.000 2.554 244 L HA 0.088 4.429 4.340 0.001 0.000 0.225 244 L C 0.662 177.521 176.870 -0.018 0.000 1.104 244 L CA 0.003 54.864 54.840 0.036 0.000 0.866 244 L CB 0.171 42.259 42.059 0.048 0.000 1.047 244 L HN -0.024 nan 8.230 nan 0.000 0.468 245 R N -0.004 120.407 120.500 -0.149 0.000 2.459 245 R HA 0.125 4.466 4.340 0.001 0.000 0.281 245 R C 0.800 176.957 176.300 -0.237 0.000 1.050 245 R CA -0.427 55.449 56.100 -0.372 0.000 1.055 245 R CB 1.350 31.028 30.300 -1.036 0.000 1.045 245 R HN -0.081 nan 8.270 nan 0.000 0.495 246 L N 2.796 123.938 121.223 -0.136 0.000 2.240 246 L HA 0.088 4.429 4.340 0.001 0.000 0.211 246 L C 0.103 177.037 176.870 0.106 0.000 1.106 246 L CA 1.198 56.054 54.840 0.027 0.000 0.793 246 L CB -0.190 41.933 42.059 0.107 0.000 0.927 246 L HN 0.791 nan 8.230 nan 0.000 0.446 247 F N -0.501 119.441 119.950 -0.014 0.000 3.084 247 F HA -0.294 4.234 4.527 0.001 0.000 0.286 247 F C 0.727 176.538 175.800 0.017 0.000 0.855 247 F CA 1.299 59.277 58.000 -0.037 0.000 1.091 247 F CB -1.726 37.221 39.000 -0.088 0.000 1.177 247 F HN 0.205 nan 8.300 nan 0.000 0.542 248 K N 0.609 121.098 120.400 0.148 0.000 2.507 248 K HA 0.352 4.673 4.320 0.001 0.000 0.251 248 K C 0.069 176.754 176.600 0.142 0.000 0.943 248 K CA -0.454 55.918 56.287 0.141 0.000 0.794 248 K CB 1.152 33.730 32.500 0.129 0.000 1.188 248 K HN 0.045 nan 8.250 nan 0.000 0.428 249 D N 2.968 123.452 120.400 0.141 0.000 2.983 249 D HA -0.198 4.443 4.640 0.001 0.000 0.225 249 D C 0.649 177.052 176.300 0.171 0.000 1.174 249 D CA 1.819 55.907 54.000 0.146 0.000 0.831 249 D CB -1.140 39.734 40.800 0.124 0.000 1.104 249 D HN 1.101 nan 8.370 nan 0.000 0.421 250 G N -0.634 108.284 108.800 0.195 0.000 2.179 250 G HA2 -0.376 3.585 3.960 0.001 0.000 0.260 250 G HA3 -0.376 3.585 3.960 0.001 0.000 0.260 250 G C 0.396 175.554 174.900 0.430 0.000 0.977 250 G CA 0.875 46.149 45.100 0.290 0.000 0.641 250 G HN 0.490 nan 8.290 nan 0.000 0.533 251 K N -0.329 120.253 120.400 0.303 0.000 2.090 251 K HA 0.667 4.988 4.320 0.001 0.000 0.250 251 K C 0.599 177.397 176.600 0.330 0.000 1.004 251 K CA -0.627 55.888 56.287 0.379 0.000 0.919 251 K CB 0.954 33.614 32.500 0.267 0.000 1.045 251 K HN 0.162 nan 8.250 nan 0.000 0.471 252 L N 1.999 123.442 121.223 0.366 0.000 2.334 252 L HA 0.249 4.590 4.340 0.001 0.000 0.277 252 L C 0.443 177.473 176.870 0.268 0.000 1.075 252 L CA -0.526 54.444 54.840 0.217 0.000 0.804 252 L CB 0.915 43.069 42.059 0.158 0.000 1.174 252 L HN 0.432 nan 8.230 nan 0.000 0.438 253 K N 2.046 122.546 120.400 0.167 0.000 2.469 253 K HA 0.187 4.508 4.320 0.001 0.000 0.274 253 K C -1.106 175.635 176.600 0.234 0.000 0.983 253 K CA 0.463 56.833 56.287 0.138 0.000 0.974 253 K CB 0.507 33.037 32.500 0.050 0.000 0.913 253 K HN 0.450 nan 8.250 nan 0.000 0.493 254 Y N -2.102 118.233 120.300 0.058 0.000 2.670 254 Y HA 0.294 4.844 4.550 0.001 0.000 0.334 254 Y C -1.314 174.625 175.900 0.065 0.000 1.185 254 Y CA -1.388 56.744 58.100 0.053 0.000 1.053 254 Y CB 1.013 39.491 38.460 0.030 0.000 1.298 254 Y HN 0.580 nan 8.280 nan 0.000 0.459 255 Q N 0.483 120.395 119.800 0.187 0.000 2.458 255 Q HA 0.836 5.177 4.340 0.001 0.000 0.282 255 Q C -1.966 174.181 176.000 0.246 0.000 1.106 255 Q CA -1.380 54.502 55.803 0.131 0.000 0.814 255 Q CB 3.093 31.914 28.738 0.138 0.000 1.425 255 Q HN 0.586 nan 8.270 nan 0.000 0.437 256 V N 2.414 122.439 119.914 0.184 0.000 2.350 256 V HA 0.459 4.580 4.120 0.001 0.000 0.285 256 V C -0.568 175.621 176.094 0.158 0.000 1.014 256 V CA -0.485 61.915 62.300 0.167 0.000 0.831 256 V CB 0.873 32.779 31.823 0.139 0.000 1.000 256 V HN 0.653 nan 8.190 nan 0.000 0.433 257 I N 3.553 124.256 120.570 0.222 0.000 2.389 257 I HA 0.573 4.744 4.170 0.001 0.000 0.288 257 I C 1.161 177.384 176.117 0.178 0.000 0.999 257 I CA -0.561 60.864 61.300 0.208 0.000 1.129 257 I CB 1.717 39.868 38.000 0.252 0.000 1.288 257 I HN 0.803 nan 8.210 nan 0.000 0.444 258 G N 4.390 113.252 108.800 0.104 0.000 2.390 258 G HA2 -0.142 3.818 3.960 0.001 0.000 0.299 258 G HA3 -0.142 3.818 3.960 0.001 0.000 0.299 258 G C 1.047 175.979 174.900 0.053 0.000 1.002 258 G CA 0.766 45.910 45.100 0.072 0.000 0.979 258 G HN 1.528 nan 8.290 nan 0.000 0.513 259 G N -1.799 107.028 108.800 0.044 0.000 2.184 259 G HA2 -0.270 3.691 3.960 0.001 0.000 0.264 259 G HA3 -0.270 3.691 3.960 0.001 0.000 0.264 259 G C 0.182 175.065 174.900 -0.027 0.000 0.975 259 G CA 0.888 45.996 45.100 0.013 0.000 0.642 259 G HN 0.896 nan 8.290 nan 0.000 0.536 260 E N 0.161 120.339 120.200 -0.037 0.000 2.216 260 E HA 0.513 4.864 4.350 0.001 0.000 0.279 260 E C 0.221 176.622 176.600 -0.332 0.000 0.997 260 E CA -0.646 55.621 56.400 -0.222 0.000 0.817 260 E CB 2.068 31.593 29.700 -0.292 0.000 1.096 260 E HN 0.118 nan 8.360 nan 0.000 0.393 261 V N 4.641 124.308 119.914 -0.410 0.000 2.455 261 V HA 0.121 4.242 4.120 0.001 0.000 0.273 261 V C -0.602 175.160 176.094 -0.554 0.000 1.045 261 V CA 0.093 62.208 62.300 -0.309 0.000 0.976 261 V CB -0.496 31.168 31.823 -0.264 0.000 0.993 261 V HN 0.485 nan 8.190 nan 0.000 0.475 262 Y N 5.014 125.285 120.300 -0.049 0.000 2.633 262 Y HA 0.542 5.092 4.550 0.001 0.000 0.339 262 Y C -2.197 173.626 175.900 -0.130 0.000 1.045 262 Y CA -2.893 55.082 58.100 -0.209 0.000 1.098 262 Y CB 1.527 39.779 38.460 -0.346 0.000 1.296 262 Y HN 0.413 nan 8.280 nan 0.000 0.494 263 P HA 0.036 nan 4.420 nan 0.000 0.269 263 P C -2.501 174.897 177.300 0.164 0.000 1.217 263 P CA -0.681 62.432 63.100 0.023 0.000 0.783 263 P CB -0.007 31.668 31.700 -0.042 0.000 0.898 264 P HA 0.084 nan 4.420 nan 0.000 0.279 264 P C -0.419 177.014 177.300 0.221 0.000 1.282 264 P CA -0.075 63.129 63.100 0.173 0.000 0.788 264 P CB 0.142 31.903 31.700 0.102 0.000 1.139 265 T N -3.315 111.322 114.554 0.138 0.000 2.874 265 T HA 0.208 4.559 4.350 0.001 0.000 0.281 265 T C 1.480 176.216 174.700 0.060 0.000 0.994 265 T CA -0.665 61.483 62.100 0.079 0.000 1.015 265 T CB 0.039 68.907 68.868 -0.000 0.000 1.028 265 T HN 0.073 nan 8.240 nan 0.000 0.523 266 V N 1.268 121.200 119.914 0.030 0.000 2.287 266 V HA -0.132 3.988 4.120 0.001 0.000 0.248 266 V C 2.821 178.923 176.094 0.013 0.000 1.053 266 V CA 2.258 64.579 62.300 0.035 0.000 1.027 266 V CB -0.967 30.872 31.823 0.026 0.000 0.646 266 V HN 0.974 nan 8.190 nan 0.000 0.447 267 K N 0.680 121.072 120.400 -0.014 0.000 2.032 267 K HA -0.247 4.074 4.320 0.001 0.000 0.209 267 K C 1.881 178.480 176.600 -0.001 0.000 1.048 267 K CA 2.166 58.444 56.287 -0.015 0.000 0.927 267 K CB -0.604 31.877 32.500 -0.033 0.000 0.712 267 K HN 0.523 nan 8.250 nan 0.000 0.441 268 D N -1.249 119.154 120.400 0.005 0.000 2.144 268 D HA -0.122 4.519 4.640 0.001 0.000 0.199 268 D C 1.556 177.870 176.300 0.022 0.000 0.984 268 D CA 1.967 55.974 54.000 0.011 0.000 0.834 268 D CB -0.088 40.718 40.800 0.011 0.000 0.955 268 D HN 0.460 nan 8.370 nan 0.000 0.465 269 T N -3.971 110.603 114.554 0.034 0.000 3.037 269 T HA 0.082 4.433 4.350 0.001 0.000 0.252 269 T C 0.896 175.621 174.700 0.042 0.000 1.073 269 T CA 0.240 62.368 62.100 0.046 0.000 1.091 269 T CB -0.167 68.737 68.868 0.060 0.000 0.935 269 T HN 0.247 nan 8.240 nan 0.000 0.488 270 Q N 0.171 119.991 119.800 0.032 0.000 2.481 270 Q HA -0.114 4.227 4.340 0.001 0.000 0.272 270 Q C -0.930 175.090 176.000 0.032 0.000 1.157 270 Q CA 0.079 55.898 55.803 0.027 0.000 0.935 270 Q CB -2.097 26.654 28.738 0.022 0.000 1.338 270 Q HN 0.495 nan 8.270 nan 0.000 0.494 271 V N 1.463 121.403 119.914 0.043 0.000 2.383 271 V HA 0.106 4.227 4.120 0.001 0.000 0.275 271 V C 0.674 176.795 176.094 0.047 0.000 1.036 271 V CA -0.183 62.144 62.300 0.044 0.000 0.889 271 V CB 1.457 33.313 31.823 0.056 0.000 0.985 271 V HN 0.178 nan 8.190 nan 0.000 0.459 272 E N 5.768 125.984 120.200 0.027 0.000 2.417 272 E HA 0.202 4.553 4.350 0.001 0.000 0.261 272 E C -0.400 176.215 176.600 0.026 0.000 1.000 272 E CA 0.190 56.604 56.400 0.023 0.000 0.919 272 E CB 0.425 30.126 29.700 0.000 0.000 0.955 272 E HN 0.399 nan 8.360 nan 0.000 0.455 273 M N 2.434 122.066 119.600 0.053 0.000 2.572 273 M HA 0.378 4.858 4.480 0.001 0.000 0.299 273 M C -0.760 175.513 176.300 -0.044 0.000 1.205 273 M CA -0.991 54.320 55.300 0.019 0.000 0.876 273 M CB 1.825 34.525 32.600 0.166 0.000 1.728 273 M HN 0.362 nan 8.290 nan 0.000 0.458 274 I N 2.861 123.320 120.570 -0.186 0.000 2.363 274 I HA 0.251 4.421 4.170 0.001 0.000 0.292 274 I C -1.032 174.859 176.117 -0.376 0.000 1.075 274 I CA 0.057 61.255 61.300 -0.170 0.000 1.333 274 I CB -1.061 36.897 38.000 -0.070 0.000 1.415 274 I HN 0.537 nan 8.210 nan 0.000 0.502 275 Y N 5.862 126.110 120.300 -0.086 0.000 2.513 275 Y HA 0.397 4.948 4.550 0.001 0.000 0.340 275 Y C -2.120 173.549 175.900 -0.385 0.000 1.055 275 Y CA -2.066 55.889 58.100 -0.242 0.000 1.020 275 Y CB 1.943 40.302 38.460 -0.167 0.000 1.301 275 Y HN 0.446 nan 8.280 nan 0.000 0.453 276 P HA 0.149 nan 4.420 nan 0.000 0.271 276 P C -2.160 174.889 177.300 -0.418 0.000 1.218 276 P CA -1.165 61.646 63.100 -0.481 0.000 0.780 276 P CB 0.461 31.716 31.700 -0.741 0.000 0.901 277 P HA -0.186 nan 4.420 nan 0.000 0.217 277 P C 0.893 178.107 177.300 -0.143 0.000 1.148 277 P CA 1.455 64.471 63.100 -0.140 0.000 0.828 277 P CB -0.435 31.242 31.700 -0.039 0.000 0.783 278 H N -2.152 116.875 119.070 -0.072 0.000 2.555 278 H HA 0.243 4.799 4.556 0.001 0.000 0.283 278 H C 0.296 175.573 175.328 -0.085 0.000 1.037 278 H CA -0.257 55.751 56.048 -0.067 0.000 1.169 278 H CB -0.666 29.067 29.762 -0.048 0.000 1.375 278 H HN 0.171 nan 8.280 nan 0.000 0.582 279 I N 3.096 123.529 120.570 -0.229 0.000 2.336 279 I HA 0.212 4.383 4.170 0.001 0.000 0.292 279 I C -2.110 173.872 176.117 -0.225 0.000 0.991 279 I CA -2.264 58.901 61.300 -0.227 0.000 1.227 279 I CB 1.625 39.425 38.000 -0.333 0.000 1.366 279 I HN -0.058 nan 8.210 nan 0.000 0.466 280 P HA -0.048 nan 4.420 nan 0.000 0.264 280 P C 0.696 177.840 177.300 -0.261 0.000 1.183 280 P CA 0.140 63.127 63.100 -0.188 0.000 0.763 280 P CB 0.610 32.211 31.700 -0.165 0.000 0.807 281 E N 2.854 122.931 120.200 -0.204 0.000 2.086 281 E HA -0.354 3.997 4.350 0.001 0.000 0.200 281 E C 1.194 177.638 176.600 -0.259 0.000 1.012 281 E CA 1.613 57.889 56.400 -0.208 0.000 0.812 281 E CB -0.144 29.477 29.700 -0.132 0.000 0.743 281 E HN 0.322 nan 8.360 nan 0.000 0.453 282 N N -0.092 118.468 118.700 -0.234 0.000 2.453 282 N HA -0.059 4.682 4.740 0.001 0.000 0.183 282 N C 1.329 176.526 175.510 -0.520 0.000 1.041 282 N CA 0.572 53.474 53.050 -0.246 0.000 0.900 282 N CB 0.065 38.470 38.487 -0.136 0.000 0.961 282 N HN 0.255 nan 8.380 nan 0.000 0.443 283 L N -0.045 120.801 121.223 -0.628 0.000 2.592 283 L HA 0.155 4.496 4.340 0.001 0.000 0.227 283 L C 0.196 176.382 176.870 -1.140 0.000 1.127 283 L CA 0.120 54.366 54.840 -0.991 0.000 0.884 283 L CB 0.085 41.795 42.059 -0.582 0.000 1.065 283 L HN -0.067 nan 8.230 nan 0.000 0.457 284 Q N 0.986 120.235 119.800 -0.918 0.000 3.026 284 Q HA 0.158 4.499 4.340 0.001 0.000 0.258 284 Q C -0.877 174.864 176.000 -0.432 0.000 1.388 284 Q CA -0.363 54.840 55.803 -1.001 0.000 1.000 284 Q CB 0.004 28.318 28.738 -0.707 0.000 1.634 284 Q HN 0.097 nan 8.270 nan 0.000 0.571 285 F N 1.126 121.044 119.950 -0.054 0.000 2.538 285 F HA 0.193 4.721 4.527 0.001 0.000 0.371 285 F C 0.806 176.727 175.800 0.201 0.000 1.087 285 F CA -0.942 57.116 58.000 0.097 0.000 1.250 285 F CB 0.492 39.558 39.000 0.110 0.000 1.110 285 F HN 0.262 nan 8.300 nan 0.000 0.570 286 A N 4.112 127.134 122.820 0.335 0.000 2.260 286 A HA 0.748 5.068 4.320 0.001 0.000 0.314 286 A C -0.472 177.219 177.584 0.178 0.000 1.257 286 A CA -0.436 51.735 52.037 0.224 0.000 0.871 286 A CB 0.402 19.492 19.000 0.151 0.000 1.166 286 A HN 0.788 nan 8.150 nan 0.000 0.522 287 V N 0.077 120.075 119.914 0.140 0.000 3.156 287 V HA 0.879 5.000 4.120 0.001 0.000 0.310 287 V C 1.165 177.259 176.094 0.000 0.000 1.234 287 V CA -0.042 62.311 62.300 0.089 0.000 1.065 287 V CB 0.921 32.842 31.823 0.164 0.000 1.088 287 V HN 0.996 nan 8.190 nan 0.000 0.451 288 G N 0.176 108.941 108.800 -0.058 0.000 2.491 288 G HA2 -0.180 3.781 3.960 0.001 0.000 0.218 288 G HA3 -0.180 3.781 3.960 0.001 0.000 0.218 288 G C 0.755 175.532 174.900 -0.205 0.000 1.180 288 G CA 1.556 46.588 45.100 -0.113 0.000 0.774 288 G HN 1.103 nan 8.290 nan 0.000 0.562 289 Q N 0.921 120.469 119.800 -0.420 0.000 2.274 289 Q HA 0.286 4.627 4.340 0.001 0.000 0.256 289 Q C 1.346 177.052 176.000 -0.491 0.000 0.927 289 Q CA 0.097 55.508 55.803 -0.653 0.000 0.939 289 Q CB 1.266 29.192 28.738 -1.354 0.000 1.201 289 Q HN 0.617 nan 8.270 nan 0.000 0.426 290 E N 2.684 122.708 120.200 -0.293 0.000 2.265 290 E HA -0.155 4.195 4.350 0.001 0.000 0.196 290 E C 0.772 177.283 176.600 -0.148 0.000 0.996 290 E CA 1.152 57.453 56.400 -0.165 0.000 0.832 290 E CB 0.021 29.651 29.700 -0.117 0.000 0.756 290 E HN 0.427 nan 8.360 nan 0.000 0.491 291 V N 0.236 120.061 119.914 -0.148 0.000 3.647 291 V HA -0.006 4.115 4.120 0.001 0.000 0.279 291 V C 0.840 177.018 176.094 0.140 0.000 1.314 291 V CA 0.109 62.402 62.300 -0.012 0.000 1.125 291 V CB -0.527 31.328 31.823 0.053 0.000 0.907 291 V HN 0.200 nan 8.190 nan 0.000 0.434 292 F N 1.156 121.073 119.950 -0.055 0.000 2.604 292 F HA 0.149 4.676 4.527 0.001 0.000 0.298 292 F C 2.282 178.063 175.800 -0.031 0.000 1.131 292 F CA 0.705 58.694 58.000 -0.020 0.000 1.457 292 F CB -1.277 37.748 39.000 0.041 0.000 1.095 292 F HN 0.313 nan 8.300 nan 0.000 0.574 293 G N -0.242 108.605 108.800 0.079 0.000 2.598 293 G HA2 -0.171 3.790 3.960 0.001 0.000 0.215 293 G HA3 -0.171 3.790 3.960 0.001 0.000 0.215 293 G C 1.775 176.661 174.900 -0.023 0.000 1.131 293 G CA 0.392 45.533 45.100 0.068 0.000 0.785 293 G HN 0.371 nan 8.290 nan 0.000 0.539 294 L N 0.286 121.373 121.223 -0.226 0.000 2.079 294 L HA 0.113 4.454 4.340 0.001 0.000 0.210 294 L C 0.396 176.957 176.870 -0.515 0.000 1.081 294 L CA 1.347 55.762 54.840 -0.708 0.000 0.752 294 L CB 0.122 41.908 42.059 -0.456 0.000 0.896 294 L HN -0.020 nan 8.230 nan 0.000 0.433 295 V N -0.189 119.555 119.914 -0.283 0.000 2.569 295 V HA 0.306 4.427 4.120 0.001 0.000 0.301 295 V C -1.702 174.179 176.094 -0.355 0.000 1.044 295 V CA -0.932 61.178 62.300 -0.317 0.000 0.874 295 V CB 1.639 33.386 31.823 -0.128 0.000 1.002 295 V HN -0.056 nan 8.190 nan 0.000 0.424 296 P HA -0.073 nan 4.420 nan 0.000 0.220 296 P C 1.575 178.713 177.300 -0.269 0.000 1.148 296 P CA 1.391 64.243 63.100 -0.413 0.000 0.803 296 P CB 0.316 31.693 31.700 -0.538 0.000 0.782 297 G N -0.244 108.303 108.800 -0.422 0.000 2.422 297 G HA2 -0.204 3.756 3.960 0.001 0.000 0.218 297 G HA3 -0.204 3.756 3.960 0.001 0.000 0.218 297 G C 1.446 176.060 174.900 -0.476 0.000 1.146 297 G CA 0.475 45.062 45.100 -0.856 0.000 0.769 297 G HN 0.239 nan 8.290 nan 0.000 0.547 298 L N -0.200 120.827 121.223 -0.328 0.000 2.109 298 L HA 0.028 4.369 4.340 0.001 0.000 0.207 298 L C 2.998 179.748 176.870 -0.200 0.000 1.086 298 L CA 0.453 55.144 54.840 -0.248 0.000 0.760 298 L CB -0.289 41.529 42.059 -0.402 0.000 0.910 298 L HN 0.109 nan 8.230 nan 0.000 0.437 299 M N -0.721 118.787 119.600 -0.153 0.000 2.213 299 M HA -0.244 4.237 4.480 0.001 0.000 0.263 299 M C 2.289 178.490 176.300 -0.165 0.000 1.062 299 M CA 1.681 56.925 55.300 -0.093 0.000 1.105 299 M CB -0.733 31.835 32.600 -0.053 0.000 1.385 299 M HN 0.353 nan 8.290 nan 0.000 0.417 300 M N -0.985 118.475 119.600 -0.233 0.000 2.073 300 M HA -0.300 4.181 4.480 0.001 0.000 0.258 300 M C 2.020 178.146 176.300 -0.289 0.000 1.070 300 M CA 2.063 57.194 55.300 -0.282 0.000 1.103 300 M CB -0.395 32.065 32.600 -0.233 0.000 1.321 300 M HN 0.162 nan 8.290 nan 0.000 0.405 301 Y N -0.246 119.922 120.300 -0.220 0.000 2.263 301 Y HA -0.109 4.442 4.550 0.001 0.000 0.292 301 Y C 2.571 178.312 175.900 -0.265 0.000 1.130 301 Y CA 1.080 58.976 58.100 -0.341 0.000 1.179 301 Y CB -0.523 37.536 38.460 -0.667 0.000 0.998 301 Y HN 0.412 nan 8.280 nan 0.000 0.532 302 A N -0.216 122.580 122.820 -0.041 0.000 1.908 302 A HA -0.230 4.091 4.320 0.001 0.000 0.218 302 A C 2.218 179.849 177.584 0.078 0.000 1.181 302 A CA 2.448 54.587 52.037 0.169 0.000 0.627 302 A CB -1.216 17.924 19.000 0.233 0.000 0.818 302 A HN 0.411 nan 8.150 nan 0.000 0.445 303 T N 0.121 114.654 114.554 -0.034 0.000 2.737 303 T HA -0.041 4.310 4.350 0.001 0.000 0.265 303 T C 1.823 176.466 174.700 -0.096 0.000 1.038 303 T CA 1.373 63.421 62.100 -0.087 0.000 1.144 303 T CB -0.384 68.405 68.868 -0.132 0.000 0.866 303 T HN 0.413 nan 8.240 nan 0.000 0.434 304 I N -0.596 119.895 120.570 -0.132 0.000 2.163 304 I HA -0.200 3.971 4.170 0.001 0.000 0.243 304 I C 2.247 178.264 176.117 -0.167 0.000 1.085 304 I CA 1.549 62.727 61.300 -0.204 0.000 1.347 304 I CB -0.286 37.537 38.000 -0.296 0.000 1.044 304 I HN 0.337 nan 8.210 nan 0.000 0.408 305 W N 0.442 121.731 121.300 -0.019 0.000 2.388 305 W HA -0.122 4.539 4.660 0.001 0.000 0.294 305 W C 2.457 178.972 176.519 -0.007 0.000 1.212 305 W CA 0.491 57.838 57.345 0.003 0.000 1.271 305 W CB -0.293 29.160 29.460 -0.012 0.000 1.126 305 W HN 0.098 nan 8.180 nan 0.000 0.535 306 L N 0.829 122.156 121.223 0.173 0.000 1.989 306 L HA -0.248 4.092 4.340 0.001 0.000 0.211 306 L C 2.593 179.525 176.870 0.104 0.000 1.071 306 L CA 1.862 56.767 54.840 0.107 0.000 0.749 306 L CB -0.424 41.665 42.059 0.051 0.000 0.890 306 L HN -0.073 nan 8.230 nan 0.000 0.431 307 R N -0.511 119.993 120.500 0.008 0.000 2.083 307 R HA -0.249 4.092 4.340 0.001 0.000 0.237 307 R C 2.235 178.534 176.300 -0.002 0.000 1.137 307 R CA 1.700 57.769 56.100 -0.051 0.000 0.951 307 R CB -0.492 29.731 30.300 -0.127 0.000 0.851 307 R HN 0.375 nan 8.270 nan 0.000 0.434 308 E N 0.385 120.599 120.200 0.023 0.000 2.070 308 E HA -0.260 4.091 4.350 0.001 0.000 0.197 308 E C 1.780 178.473 176.600 0.155 0.000 1.004 308 E CA 1.961 58.397 56.400 0.060 0.000 0.805 308 E CB -0.284 29.443 29.700 0.046 0.000 0.744 308 E HN 0.456 nan 8.360 nan 0.000 0.451 309 H N -0.278 118.891 119.070 0.165 0.000 2.319 309 H HA -0.067 4.490 4.556 0.001 0.000 0.299 309 H C 1.668 177.078 175.328 0.137 0.000 1.092 309 H CA 2.305 58.469 56.048 0.194 0.000 1.302 309 H CB -0.197 29.709 29.762 0.240 0.000 1.373 309 H HN 0.145 nan 8.280 nan 0.000 0.497 310 N N 0.113 118.882 118.700 0.115 0.000 2.244 310 N HA -0.110 4.631 4.740 0.001 0.000 0.183 310 N C 1.980 177.464 175.510 -0.044 0.000 1.016 310 N CA 0.899 53.963 53.050 0.023 0.000 0.866 310 N CB -0.330 38.162 38.487 0.007 0.000 0.980 310 N HN 0.387 nan 8.380 nan 0.000 0.430 311 R N 0.635 121.113 120.500 -0.036 0.000 2.081 311 R HA -0.039 4.301 4.340 0.001 0.000 0.235 311 R C 1.624 177.907 176.300 -0.028 0.000 1.131 311 R CA 1.042 57.119 56.100 -0.038 0.000 0.960 311 R CB -0.173 30.105 30.300 -0.037 0.000 0.856 311 R HN 0.007 nan 8.270 nan 0.000 0.436 312 V N 0.179 120.077 119.914 -0.026 0.000 2.427 312 V HA -0.301 3.820 4.120 0.001 0.000 0.248 312 V C 2.542 178.620 176.094 -0.026 0.000 1.051 312 V CA 1.552 63.847 62.300 -0.009 0.000 1.048 312 V CB -0.489 31.349 31.823 0.025 0.000 0.666 312 V HN 0.516 nan 8.190 nan 0.000 0.456 313 C N 0.180 119.421 119.300 -0.098 0.000 2.398 313 C HA -0.206 4.254 4.460 0.001 0.000 0.276 313 C C 2.565 177.565 174.990 0.017 0.000 1.222 313 C CA 1.227 60.222 59.018 -0.039 0.000 1.746 313 C CB -1.065 26.642 27.740 -0.055 0.000 2.039 313 C HN 0.603 nan 8.230 nan 0.000 0.470 314 D N 0.552 120.951 120.400 -0.002 0.000 2.123 314 D HA -0.093 4.548 4.640 0.001 0.000 0.196 314 D C 1.892 178.190 176.300 -0.003 0.000 0.992 314 D CA 1.238 55.238 54.000 0.001 0.000 0.833 314 D CB -0.399 40.392 40.800 -0.015 0.000 0.954 314 D HN 0.479 nan 8.370 nan 0.000 0.455 315 I N 0.489 121.056 120.570 -0.005 0.000 2.179 315 I HA -0.232 3.939 4.170 0.001 0.000 0.242 315 I C 2.445 178.552 176.117 -0.017 0.000 1.088 315 I CA 0.705 61.998 61.300 -0.012 0.000 1.357 315 I CB -0.111 37.889 38.000 0.000 0.000 1.051 315 I HN -0.036 nan 8.210 nan 0.000 0.409 316 L N 0.353 121.590 121.223 0.024 0.000 2.141 316 L HA -0.196 4.145 4.340 0.001 0.000 0.209 316 L C 2.577 179.448 176.870 0.002 0.000 1.094 316 L CA 1.202 56.069 54.840 0.046 0.000 0.763 316 L CB -0.460 41.707 42.059 0.180 0.000 0.908 316 L HN 0.208 nan 8.230 nan 0.000 0.437 317 K N 0.083 120.504 120.400 0.034 0.000 2.057 317 K HA -0.256 4.064 4.320 0.001 0.000 0.206 317 K C 2.175 178.753 176.600 -0.037 0.000 1.050 317 K CA 1.466 57.773 56.287 0.032 0.000 0.935 317 K CB 0.027 32.561 32.500 0.055 0.000 0.715 317 K HN 0.236 nan 8.250 nan 0.000 0.439 318 Q N 0.396 120.162 119.800 -0.057 0.000 2.084 318 Q HA -0.219 4.121 4.340 0.001 0.000 0.202 318 Q C 1.745 177.647 176.000 -0.164 0.000 0.978 318 Q CA 1.835 57.588 55.803 -0.085 0.000 0.844 318 Q CB 0.064 28.761 28.738 -0.068 0.000 0.898 318 Q HN 0.221 nan 8.270 nan 0.000 0.426 319 E N -0.549 119.504 120.200 -0.245 0.000 2.152 319 E HA -0.094 4.257 4.350 0.001 0.000 0.192 319 E C -0.164 175.965 176.600 -0.784 0.000 0.983 319 E CA 0.891 57.007 56.400 -0.475 0.000 0.818 319 E CB 0.354 29.753 29.700 -0.501 0.000 0.758 319 E HN 0.366 nan 8.360 nan 0.000 0.467 320 H N -0.667 118.160 119.070 -0.405 0.000 2.380 320 H HA 0.172 4.729 4.556 0.001 0.000 0.231 320 H C -1.993 173.185 175.328 -0.250 0.000 1.415 320 H CA -1.623 54.089 56.048 -0.560 0.000 1.433 320 H CB 1.172 30.047 29.762 -1.479 0.000 1.544 320 H HN 0.176 nan 8.280 nan 0.000 0.503 321 P HA -0.169 nan 4.420 nan 0.000 0.225 321 P C 1.405 178.749 177.300 0.074 0.000 1.148 321 P CA 1.032 64.139 63.100 0.012 0.000 0.779 321 P CB 0.471 32.165 31.700 -0.010 0.000 0.780 322 E N -1.287 118.968 120.200 0.090 0.000 2.285 322 E HA -0.122 4.229 4.350 0.001 0.000 0.194 322 E C 0.306 177.089 176.600 0.306 0.000 0.997 322 E CA 0.267 56.767 56.400 0.167 0.000 0.845 322 E CB -0.704 29.094 29.700 0.164 0.000 0.782 322 E HN 0.151 nan 8.360 nan 0.000 0.491 323 W N 1.871 123.219 121.300 0.081 0.000 2.150 323 W HA 0.511 5.171 4.660 0.001 0.000 0.341 323 W C 1.134 177.685 176.519 0.053 0.000 1.276 323 W CA -0.111 57.263 57.345 0.047 0.000 1.238 323 W CB 0.483 29.964 29.460 0.036 0.000 1.128 323 W HN -0.017 nan 8.180 nan 0.000 0.581 324 G N 0.708 109.639 108.800 0.220 0.000 2.535 324 G HA2 0.121 4.082 3.960 0.001 0.000 0.303 324 G HA3 0.121 4.082 3.960 0.001 0.000 0.303 324 G C 0.336 175.326 174.900 0.150 0.000 1.237 324 G CA -0.170 45.018 45.100 0.147 0.000 0.986 324 G HN 0.480 nan 8.290 nan 0.000 0.494 325 D N -0.955 119.528 120.400 0.138 0.000 2.123 325 D HA -0.188 4.453 4.640 0.001 0.000 0.196 325 D C 2.007 178.396 176.300 0.149 0.000 0.992 325 D CA 1.793 55.885 54.000 0.152 0.000 0.833 325 D CB 0.097 40.989 40.800 0.155 0.000 0.954 325 D HN 0.422 nan 8.370 nan 0.000 0.455 326 E N 0.285 120.551 120.200 0.110 0.000 2.051 326 E HA -0.251 4.100 4.350 0.001 0.000 0.192 326 E C 2.091 178.738 176.600 0.077 0.000 0.991 326 E CA 1.501 57.962 56.400 0.101 0.000 0.799 326 E CB -0.402 29.336 29.700 0.063 0.000 0.748 326 E HN 0.466 nan 8.360 nan 0.000 0.449 327 Q N -0.452 119.317 119.800 -0.053 0.000 2.119 327 Q HA -0.106 4.234 4.340 0.001 0.000 0.201 327 Q C 2.223 178.162 176.000 -0.102 0.000 0.972 327 Q CA 1.324 56.973 55.803 -0.257 0.000 0.847 327 Q CB -0.081 28.241 28.738 -0.694 0.000 0.903 327 Q HN 0.365 nan 8.270 nan 0.000 0.433 328 L N -0.344 120.956 121.223 0.129 0.000 2.017 328 L HA -0.165 4.175 4.340 0.001 0.000 0.208 328 L C 2.287 179.282 176.870 0.208 0.000 1.073 328 L CA 1.295 56.294 54.840 0.264 0.000 0.745 328 L CB -0.592 41.636 42.059 0.282 0.000 0.894 328 L HN 0.307 nan 8.230 nan 0.000 0.432 329 F N 0.692 120.703 119.950 0.101 0.000 2.069 329 F HA -0.288 4.240 4.527 0.001 0.000 0.298 329 F C 2.751 178.610 175.800 0.099 0.000 1.113 329 F CA 1.709 59.797 58.000 0.147 0.000 1.214 329 F CB -0.273 38.764 39.000 0.061 0.000 0.978 329 F HN 0.053 nan 8.300 nan 0.000 0.474 330 Q N -0.086 119.714 119.800 -0.001 0.000 2.124 330 Q HA -0.140 4.201 4.340 0.001 0.000 0.202 330 Q C 2.226 178.144 176.000 -0.135 0.000 0.977 330 Q CA 2.203 57.925 55.803 -0.136 0.000 0.850 330 Q CB -1.120 27.619 28.738 0.003 0.000 0.901 330 Q HN 0.456 nan 8.270 nan 0.000 0.429 331 T N 0.740 115.267 114.554 -0.045 0.000 2.857 331 T HA -0.048 4.303 4.350 0.001 0.000 0.266 331 T C 2.168 176.940 174.700 0.120 0.000 1.048 331 T CA 1.247 63.385 62.100 0.062 0.000 1.139 331 T CB -0.095 68.877 68.868 0.174 0.000 0.874 331 T HN 0.180 nan 8.240 nan 0.000 0.455 332 S N 1.023 116.756 115.700 0.056 0.000 2.368 332 S HA -0.087 4.383 4.470 0.001 0.000 0.225 332 S C 2.082 176.748 174.600 0.111 0.000 1.030 332 S CA 0.988 59.221 58.200 0.054 0.000 0.999 332 S CB -0.236 62.867 63.200 -0.162 0.000 0.844 332 S HN 0.441 nan 8.310 nan 0.000 0.459 333 R N 1.083 121.525 120.500 -0.097 0.000 2.083 333 R HA -0.062 4.279 4.340 0.001 0.000 0.237 333 R C 2.130 178.463 176.300 0.055 0.000 1.137 333 R CA 1.315 57.295 56.100 -0.199 0.000 0.951 333 R CB -0.430 29.386 30.300 -0.808 0.000 0.851 333 R HN 0.353 nan 8.270 nan 0.000 0.434 334 L N 0.321 121.608 121.223 0.107 0.000 2.046 334 L HA -0.192 4.149 4.340 0.001 0.000 0.208 334 L C 2.495 179.633 176.870 0.445 0.000 1.077 334 L CA 1.254 56.273 54.840 0.300 0.000 0.747 334 L CB -0.412 41.835 42.059 0.314 0.000 0.896 334 L HN 0.294 nan 8.230 nan 0.000 0.432 335 I N -0.538 120.269 120.570 0.395 0.000 2.226 335 I HA -0.312 3.859 4.170 0.001 0.000 0.245 335 I C 2.367 178.647 176.117 0.271 0.000 1.100 335 I CA 1.196 62.676 61.300 0.300 0.000 1.374 335 I CB -0.150 38.005 38.000 0.257 0.000 1.057 335 I HN 0.187 nan 8.210 nan 0.000 0.413 336 L N 0.209 121.613 121.223 0.302 0.000 2.093 336 L HA -0.158 4.183 4.340 0.001 0.000 0.208 336 L C 2.281 179.301 176.870 0.250 0.000 1.085 336 L CA 1.668 56.715 54.840 0.344 0.000 0.755 336 L CB -0.524 41.779 42.059 0.407 0.000 0.904 336 L HN 0.144 nan 8.230 nan 0.000 0.435 337 I N -0.804 119.908 120.570 0.236 0.000 2.118 337 I HA -0.303 3.868 4.170 0.001 0.000 0.241 337 I C 2.527 178.778 176.117 0.223 0.000 1.070 337 I CA 1.667 63.091 61.300 0.206 0.000 1.327 337 I CB -1.001 37.131 38.000 0.220 0.000 1.034 337 I HN 0.357 nan 8.210 nan 0.000 0.405 338 G N 0.061 109.036 108.800 0.291 0.000 2.476 338 G HA2 -0.267 3.694 3.960 0.001 0.000 0.218 338 G HA3 -0.267 3.694 3.960 0.001 0.000 0.218 338 G C 1.503 176.553 174.900 0.250 0.000 1.164 338 G CA 0.879 46.172 45.100 0.321 0.000 0.768 338 G HN 0.428 nan 8.290 nan 0.000 0.560 339 E N -0.271 120.085 120.200 0.259 0.000 2.070 339 E HA -0.138 4.213 4.350 0.001 0.000 0.197 339 E C 2.816 179.595 176.600 0.299 0.000 1.004 339 E CA 1.615 58.193 56.400 0.297 0.000 0.805 339 E CB -0.292 29.657 29.700 0.415 0.000 0.744 339 E HN 0.368 nan 8.360 nan 0.000 0.451 340 T N 1.274 115.993 114.554 0.276 0.000 2.684 340 T HA -0.152 4.199 4.350 0.001 0.000 0.267 340 T C 1.993 176.728 174.700 0.057 0.000 1.036 340 T CA 1.131 63.356 62.100 0.208 0.000 1.148 340 T CB -0.222 68.676 68.868 0.050 0.000 0.863 340 T HN 0.114 nan 8.240 nan 0.000 0.436 341 I N 0.474 121.004 120.570 -0.067 0.000 2.252 341 I HA -0.127 4.044 4.170 0.001 0.000 0.245 341 I C 2.759 178.561 176.117 -0.524 0.000 1.102 341 I CA 1.020 62.113 61.300 -0.346 0.000 1.385 341 I CB -0.310 37.356 38.000 -0.556 0.000 1.064 341 I HN 0.057 nan 8.210 nan 0.000 0.414 342 K N 1.325 121.489 120.400 -0.394 0.000 2.032 342 K HA -0.161 4.159 4.320 0.001 0.000 0.209 342 K C 2.067 178.680 176.600 0.021 0.000 1.048 342 K CA 1.779 58.019 56.287 -0.079 0.000 0.927 342 K CB -0.298 32.332 32.500 0.216 0.000 0.712 342 K HN 0.320 nan 8.250 nan 0.000 0.441 343 I N 0.394 121.005 120.570 0.068 0.000 2.252 343 I HA -0.246 3.925 4.170 0.001 0.000 0.245 343 I C 2.308 178.473 176.117 0.081 0.000 1.102 343 I CA 0.626 61.985 61.300 0.097 0.000 1.385 343 I CB -0.207 37.899 38.000 0.177 0.000 1.064 343 I HN -0.130 nan 8.210 nan 0.000 0.414 344 V N 1.159 121.074 119.914 0.002 0.000 2.332 344 V HA -0.285 3.836 4.120 0.001 0.000 0.248 344 V C 2.270 178.440 176.094 0.126 0.000 1.055 344 V CA 1.956 64.226 62.300 -0.051 0.000 1.038 344 V CB -0.372 31.232 31.823 -0.365 0.000 0.651 344 V HN 0.329 nan 8.190 nan 0.000 0.450 345 I N -0.517 120.089 120.570 0.060 0.000 2.235 345 I HA -0.153 4.018 4.170 0.001 0.000 0.241 345 I C 2.412 178.606 176.117 0.128 0.000 1.085 345 I CA 1.522 62.888 61.300 0.110 0.000 1.378 345 I CB -0.258 37.795 38.000 0.089 0.000 1.076 345 I HN 0.316 nan 8.210 nan 0.000 0.415 346 E N 0.015 120.283 120.200 0.112 0.000 2.385 346 E HA -0.082 4.269 4.350 0.001 0.000 0.194 346 E C 0.916 177.574 176.600 0.096 0.000 1.013 346 E CA 0.531 56.985 56.400 0.090 0.000 0.866 346 E CB 0.302 30.052 29.700 0.083 0.000 0.832 346 E HN 0.482 nan 8.360 nan 0.000 0.500 347 D N -0.697 119.796 120.400 0.155 0.000 2.766 347 D HA -0.035 4.606 4.640 0.001 0.000 0.284 347 D C 1.455 178.023 176.300 0.447 0.000 1.050 347 D CA 0.273 54.403 54.000 0.217 0.000 0.945 347 D CB -0.089 40.775 40.800 0.106 0.000 1.272 347 D HN 0.064 nan 8.370 nan 0.000 0.482 348 Y N 2.163 122.631 120.300 0.279 0.000 2.153 348 Y HA -0.115 4.436 4.550 0.001 0.000 0.289 348 Y C 2.203 178.246 175.900 0.238 0.000 1.119 348 Y CA 1.325 59.526 58.100 0.169 0.000 1.116 348 Y CB -0.296 38.122 38.460 -0.069 0.000 1.004 348 Y HN -0.287 nan 8.280 nan 0.000 0.501 349 V N 0.727 120.854 119.914 0.354 0.000 2.358 349 V HA -0.293 3.828 4.120 0.001 0.000 0.246 349 V C 2.305 178.413 176.094 0.024 0.000 1.047 349 V CA 2.092 64.512 62.300 0.199 0.000 1.035 349 V CB -0.820 31.148 31.823 0.243 0.000 0.658 349 V HN 0.423 nan 8.190 nan 0.000 0.452 350 Q N 0.436 120.271 119.800 0.058 0.000 2.077 350 Q HA -0.299 4.042 4.340 0.001 0.000 0.206 350 Q C 2.118 178.082 176.000 -0.060 0.000 0.989 350 Q CA 2.701 58.495 55.803 -0.016 0.000 0.853 350 Q CB -0.583 28.177 28.738 0.037 0.000 0.907 350 Q HN 0.849 nan 8.270 nan 0.000 0.418 351 H N -0.545 118.485 119.070 -0.066 0.000 2.321 351 H HA -0.068 4.488 4.556 0.001 0.000 0.300 351 H C 1.760 176.917 175.328 -0.284 0.000 1.087 351 H CA 2.086 58.050 56.048 -0.140 0.000 1.319 351 H CB -0.385 29.330 29.762 -0.078 0.000 1.379 351 H HN 0.338 nan 8.280 nan 0.000 0.501 352 L N 0.096 121.013 121.223 -0.509 0.000 2.083 352 L HA -0.183 4.157 4.340 0.001 0.000 0.209 352 L C 2.820 179.415 176.870 -0.460 0.000 1.083 352 L CA 1.504 55.999 54.840 -0.576 0.000 0.752 352 L CB -0.594 41.325 42.059 -0.233 0.000 0.899 352 L HN 0.520 nan 8.230 nan 0.000 0.433 353 S N -0.420 115.014 115.700 -0.445 0.000 2.382 353 S HA -0.108 4.363 4.470 0.001 0.000 0.228 353 S C 1.767 176.051 174.600 -0.526 0.000 1.027 353 S CA 0.940 58.724 58.200 -0.693 0.000 0.991 353 S CB -0.430 61.987 63.200 -1.304 0.000 0.823 353 S HN 0.573 nan 8.310 nan 0.000 0.469 354 G N -0.165 108.393 108.800 -0.404 0.000 2.168 354 G HA2 -0.268 3.693 3.960 0.001 0.000 0.263 354 G HA3 -0.268 3.693 3.960 0.001 0.000 0.263 354 G C -0.073 174.715 174.900 -0.187 0.000 0.977 354 G CA 0.513 45.455 45.100 -0.262 0.000 0.659 354 G HN 0.556 nan 8.290 nan 0.000 0.533 355 Y N 0.253 120.406 120.300 -0.246 0.000 2.480 355 Y HA 0.342 4.892 4.550 0.001 0.000 0.338 355 Y C 1.825 177.545 175.900 -0.301 0.000 1.220 355 Y CA -0.534 57.369 58.100 -0.329 0.000 1.430 355 Y CB 0.348 38.680 38.460 -0.214 0.000 1.311 355 Y HN 0.204 nan 8.280 nan 0.000 0.575 356 H N 1.376 120.365 119.070 -0.135 0.000 2.436 356 H HA -0.070 4.487 4.556 0.001 0.000 0.294 356 H C 0.373 175.648 175.328 -0.089 0.000 1.048 356 H CA 0.114 56.103 56.048 -0.098 0.000 1.353 356 H CB -0.195 29.569 29.762 0.003 0.000 1.414 356 H HN 0.504 nan 8.280 nan 0.000 0.536 357 F N 2.771 122.469 119.950 -0.420 0.000 2.572 357 F HA 0.106 4.634 4.527 0.001 0.000 0.370 357 F C 0.366 176.145 175.800 -0.036 0.000 1.103 357 F CA -0.457 57.369 58.000 -0.290 0.000 1.286 357 F CB 0.478 39.047 39.000 -0.720 0.000 1.105 357 F HN -0.244 nan 8.300 nan 0.000 0.583 358 K N 7.952 127.882 120.400 -0.785 0.000 2.284 358 K HA 0.282 4.603 4.320 0.001 0.000 0.287 358 K C -0.474 175.523 176.600 -1.005 0.000 1.081 358 K CA -0.385 55.520 56.287 -0.638 0.000 0.910 358 K CB 0.553 32.854 32.500 -0.331 0.000 1.088 358 K HN 0.620 nan 8.250 nan 0.000 0.478 359 L N 2.834 123.771 121.223 -0.476 0.000 2.483 359 L HA 0.123 4.464 4.340 0.001 0.000 0.275 359 L C 0.457 177.274 176.870 -0.088 0.000 1.220 359 L CA 0.356 55.102 54.840 -0.157 0.000 0.833 359 L CB 0.111 42.209 42.059 0.065 0.000 1.102 359 L HN 0.506 nan 8.230 nan 0.000 0.490 360 K N 2.235 122.653 120.400 0.030 0.000 2.443 360 K HA 0.315 4.636 4.320 0.001 0.000 0.252 360 K C -1.445 175.238 176.600 0.138 0.000 0.933 360 K CA -0.711 55.611 56.287 0.057 0.000 0.792 360 K CB 1.526 34.045 32.500 0.031 0.000 1.185 360 K HN 0.317 nan 8.250 nan 0.000 0.425 361 F N 4.721 124.667 119.950 -0.007 0.000 2.375 361 F HA 0.325 4.853 4.527 0.001 0.000 0.362 361 F C -0.931 174.827 175.800 -0.069 0.000 1.129 361 F CA -0.638 57.343 58.000 -0.031 0.000 1.154 361 F CB 0.532 39.535 39.000 0.005 0.000 1.205 361 F HN 0.510 nan 8.300 nan 0.000 0.513 362 D N 8.300 128.405 120.400 -0.493 0.000 2.319 362 D HA 0.300 4.941 4.640 0.001 0.000 0.237 362 D C -2.361 173.539 176.300 -0.667 0.000 1.353 362 D CA -1.765 51.884 54.000 -0.586 0.000 0.992 362 D CB 1.891 42.539 40.800 -0.255 0.000 1.368 362 D HN 0.167 nan 8.370 nan 0.000 0.564 363 P HA -0.099 nan 4.420 nan 0.000 0.219 363 P C 0.921 177.550 177.300 -1.118 0.000 1.146 363 P CA 0.907 63.440 63.100 -0.944 0.000 0.808 363 P CB 0.384 31.273 31.700 -1.352 0.000 0.779 364 E N -0.603 118.927 120.200 -1.117 0.000 2.209 364 E HA -0.146 4.205 4.350 0.001 0.000 0.196 364 E C 1.747 177.965 176.600 -0.636 0.000 0.993 364 E CA 0.735 56.410 56.400 -1.208 0.000 0.819 364 E CB -0.551 28.912 29.700 -0.396 0.000 0.745 364 E HN 0.326 nan 8.360 nan 0.000 0.477 365 L N 0.223 121.198 121.223 -0.414 0.000 2.275 365 L HA -0.146 4.195 4.340 0.001 0.000 0.215 365 L C 2.040 178.828 176.870 -0.137 0.000 1.119 365 L CA 0.718 55.439 54.840 -0.199 0.000 0.790 365 L CB -0.164 41.802 42.059 -0.156 0.000 0.919 365 L HN 0.157 nan 8.230 nan 0.000 0.443 366 L N -2.042 119.076 121.223 -0.175 0.000 2.585 366 L HA 0.041 4.382 4.340 0.001 0.000 0.226 366 L C 1.956 178.982 176.870 0.259 0.000 1.113 366 L CA -0.286 54.539 54.840 -0.023 0.000 0.876 366 L CB -0.165 41.790 42.059 -0.172 0.000 1.072 366 L HN 0.098 nan 8.230 nan 0.000 0.468 367 F N 1.548 121.560 119.950 0.103 0.000 2.269 367 F HA -0.167 4.361 4.527 0.002 0.000 0.301 367 F C 2.106 177.985 175.800 0.131 0.000 1.082 367 F CA 0.818 58.907 58.000 0.148 0.000 1.360 367 F CB -0.698 38.383 39.000 0.135 0.000 1.041 367 F HN 0.387 nan 8.300 nan 0.000 0.512 368 N N -0.661 118.210 118.700 0.285 0.000 2.238 368 N HA 0.001 4.742 4.740 0.001 0.000 0.222 368 N C 0.088 175.688 175.510 0.150 0.000 1.133 368 N CA 0.056 53.220 53.050 0.191 0.000 0.854 368 N CB 0.051 38.631 38.487 0.156 0.000 1.041 368 N HN 0.143 nan 8.380 nan 0.000 0.510 369 Q N 0.376 120.274 119.800 0.163 0.000 2.252 369 Q HA 0.329 4.670 4.340 0.001 0.000 0.256 369 Q C -0.470 175.624 176.000 0.157 0.000 1.020 369 Q CA -0.402 55.481 55.803 0.134 0.000 0.913 369 Q CB 1.156 29.955 28.738 0.101 0.000 1.286 369 Q HN 0.278 nan 8.270 nan 0.000 0.480 370 Q N 0.880 120.764 119.800 0.140 0.000 2.421 370 Q HA 0.455 4.796 4.340 0.001 0.000 0.242 370 Q C -1.322 174.781 176.000 0.173 0.000 1.024 370 Q CA -0.142 55.739 55.803 0.130 0.000 0.891 370 Q CB 0.541 29.331 28.738 0.087 0.000 1.222 370 Q HN 0.311 nan 8.270 nan 0.000 0.483 371 F N 1.585 121.491 119.950 -0.073 0.000 2.581 371 F HA 0.267 4.795 4.527 0.001 0.000 0.311 371 F C -1.130 174.484 175.800 -0.309 0.000 1.113 371 F CA -0.792 57.086 58.000 -0.203 0.000 0.935 371 F CB 1.859 40.688 39.000 -0.285 0.000 1.232 371 F HN 0.241 nan 8.300 nan 0.000 0.445 372 Q N 5.288 124.559 119.800 -0.881 0.000 2.331 372 Q HA 0.172 4.513 4.340 0.001 0.000 0.257 372 Q C -1.277 174.274 176.000 -0.748 0.000 0.957 372 Q CA -0.332 55.111 55.803 -0.600 0.000 0.923 372 Q CB 1.053 29.557 28.738 -0.391 0.000 1.212 372 Q HN 0.640 nan 8.270 nan 0.000 0.443 373 Y N 2.910 123.140 120.300 -0.117 0.000 2.623 373 Y HA 0.074 4.625 4.550 0.001 0.000 0.341 373 Y C 0.665 176.538 175.900 -0.044 0.000 1.292 373 Y CA -0.119 57.979 58.100 -0.002 0.000 1.840 373 Y CB 0.043 38.572 38.460 0.116 0.000 1.865 373 Y HN 0.401 nan 8.280 nan 0.000 0.440 374 Q N -0.193 119.584 119.800 -0.039 0.000 2.575 374 Q HA 0.586 4.927 4.340 0.001 0.000 0.290 374 Q C -1.912 174.038 176.000 -0.084 0.000 0.963 374 Q CA -1.273 54.507 55.803 -0.038 0.000 0.783 374 Q CB 2.265 30.975 28.738 -0.047 0.000 1.467 374 Q HN 0.264 nan 8.270 nan 0.000 0.402 375 N N -0.390 118.269 118.700 -0.068 0.000 2.484 375 N HA 0.624 5.364 4.740 0.001 0.000 0.269 375 N C -2.160 173.290 175.510 -0.100 0.000 1.237 375 N CA -0.556 52.451 53.050 -0.072 0.000 0.838 375 N CB 2.458 40.920 38.487 -0.041 0.000 1.593 375 N HN 0.622 nan 8.380 nan 0.000 0.485 376 R N 2.510 122.951 120.500 -0.098 0.000 2.538 376 R HA 0.506 4.847 4.340 0.001 0.000 0.292 376 R C -1.127 175.214 176.300 0.068 0.000 1.008 376 R CA -0.540 55.454 56.100 -0.176 0.000 0.896 376 R CB 0.636 30.754 30.300 -0.304 0.000 1.187 376 R HN 0.531 nan 8.270 nan 0.000 0.440 377 I N 3.759 124.558 120.570 0.382 0.000 2.533 377 I HA 0.209 4.380 4.170 0.001 0.000 0.284 377 I C 0.567 176.878 176.117 0.323 0.000 1.109 377 I CA -0.017 61.502 61.300 0.365 0.000 1.412 377 I CB 0.613 38.880 38.000 0.445 0.000 1.396 377 I HN 0.724 nan 8.210 nan 0.000 0.543 378 A N 4.921 127.804 122.820 0.105 0.000 2.363 378 A HA 0.241 4.562 4.320 0.001 0.000 0.270 378 A C 1.339 178.843 177.584 -0.134 0.000 1.121 378 A CA -0.141 51.865 52.037 -0.052 0.000 0.800 378 A CB 0.743 19.521 19.000 -0.371 0.000 1.052 378 A HN 0.818 nan 8.150 nan 0.000 0.493 379 S N 1.179 116.808 115.700 -0.119 0.000 2.365 379 S HA -0.207 4.264 4.470 0.001 0.000 0.225 379 S C 1.627 176.089 174.600 -0.230 0.000 1.039 379 S CA 2.429 60.461 58.200 -0.280 0.000 1.033 379 S CB -0.366 62.829 63.200 -0.009 0.000 0.887 379 S HN 0.804 nan 8.310 nan 0.000 0.447 380 E N -0.013 120.062 120.200 -0.208 0.000 2.204 380 E HA -0.049 4.301 4.350 0.001 0.000 0.195 380 E C 1.538 178.016 176.600 -0.204 0.000 0.990 380 E CA 0.842 57.112 56.400 -0.217 0.000 0.821 380 E CB -0.274 29.270 29.700 -0.260 0.000 0.750 380 E HN 0.582 nan 8.360 nan 0.000 0.477 381 F N 1.850 121.425 119.950 -0.625 0.000 2.113 381 F HA -0.113 4.415 4.527 0.001 0.000 0.297 381 F C 1.973 177.589 175.800 -0.306 0.000 1.103 381 F CA 1.129 58.853 58.000 -0.460 0.000 1.248 381 F CB -0.578 38.075 39.000 -0.579 0.000 0.999 381 F HN 0.003 nan 8.300 nan 0.000 0.475 382 N N 0.148 118.429 118.700 -0.698 0.000 2.060 382 N HA -0.193 4.548 4.740 0.001 0.000 0.195 382 N C 1.687 176.812 175.510 -0.642 0.000 1.028 382 N CA 2.366 54.555 53.050 -1.434 0.000 0.861 382 N CB -0.597 37.164 38.487 -1.211 0.000 1.029 382 N HN 0.328 nan 8.380 nan 0.000 0.428 383 T N 1.548 115.882 114.554 -0.366 0.000 2.737 383 T HA -0.113 4.238 4.350 0.001 0.000 0.265 383 T C 1.923 176.598 174.700 -0.041 0.000 1.038 383 T CA 1.502 63.441 62.100 -0.270 0.000 1.144 383 T CB -0.327 68.465 68.868 -0.126 0.000 0.866 383 T HN 0.415 nan 8.240 nan 0.000 0.434 384 L N -1.317 119.911 121.223 0.009 0.000 2.275 384 L HA 0.150 4.491 4.340 0.001 0.000 0.215 384 L C 1.823 178.775 176.870 0.137 0.000 1.119 384 L CA 1.432 56.342 54.840 0.117 0.000 0.790 384 L CB -1.116 41.008 42.059 0.109 0.000 0.919 384 L HN 0.050 nan 8.230 nan 0.000 0.443 385 Y N -0.005 120.162 120.300 -0.221 0.000 2.462 385 Y HA 0.156 4.707 4.550 0.001 0.000 0.293 385 Y C 0.509 176.001 175.900 -0.680 0.000 1.195 385 Y CA -0.582 57.066 58.100 -0.753 0.000 1.276 385 Y CB -0.673 37.330 38.460 -0.762 0.000 1.082 385 Y HN 0.302 nan 8.280 nan 0.000 0.514 386 H N -0.843 118.111 119.070 -0.194 0.000 2.998 386 H HA 0.025 4.582 4.556 0.001 0.000 0.241 386 H C -0.472 174.781 175.328 -0.126 0.000 1.852 386 H CA -0.409 55.474 56.048 -0.275 0.000 1.419 386 H CB -0.818 28.802 29.762 -0.237 0.000 1.793 386 H HN 0.210 nan 8.280 nan 0.000 0.553 387 W N 1.291 122.536 121.300 -0.092 0.000 2.666 387 W HA 0.121 4.782 4.660 0.001 0.000 0.445 387 W C 0.546 177.105 176.519 0.066 0.000 0.693 387 W CA -0.794 56.583 57.345 0.053 0.000 2.192 387 W CB -1.401 28.177 29.460 0.197 0.000 1.086 387 W HN 0.727 nan 8.180 nan 0.000 0.747 388 H N 0.715 120.025 119.070 0.401 0.000 2.390 388 H HA -0.175 4.382 4.556 0.001 0.000 0.298 388 H C -0.540 174.939 175.328 0.252 0.000 1.106 388 H CA 1.771 57.995 56.048 0.293 0.000 1.297 388 H CB -1.380 28.543 29.762 0.267 0.000 1.375 388 H HN 0.037 nan 8.280 nan 0.000 0.509 389 P HA -0.115 nan 4.420 nan 0.000 0.225 389 P C 1.091 178.506 177.300 0.191 0.000 1.148 389 P CA 0.924 64.152 63.100 0.214 0.000 0.779 389 P CB 0.002 31.777 31.700 0.125 0.000 0.780 390 L N -1.577 119.780 121.223 0.223 0.000 2.079 390 L HA -0.138 4.203 4.340 0.001 0.000 0.210 390 L C 1.156 178.135 176.870 0.182 0.000 1.081 390 L CA 0.695 55.653 54.840 0.197 0.000 0.752 390 L CB -0.809 41.404 42.059 0.257 0.000 0.896 390 L HN 0.009 nan 8.230 nan 0.000 0.433 391 L N 1.175 122.522 121.223 0.207 0.000 2.490 391 L HA 0.073 4.414 4.340 0.001 0.000 0.274 391 L C -1.837 175.114 176.870 0.135 0.000 1.201 391 L CA -1.396 53.545 54.840 0.169 0.000 0.869 391 L CB -0.127 42.155 42.059 0.372 0.000 1.123 391 L HN -0.079 nan 8.230 nan 0.000 0.484 392 P HA 0.165 nan 4.420 nan 0.000 0.297 392 P C -0.449 176.681 177.300 -0.283 0.000 1.307 392 P CA -0.468 62.404 63.100 -0.379 0.000 0.773 392 P CB 1.028 32.339 31.700 -0.649 0.000 1.265 393 D N -1.407 118.785 120.400 -0.348 0.000 2.183 393 D HA 0.002 4.642 4.640 0.001 0.000 0.205 393 D C 0.801 177.018 176.300 -0.138 0.000 0.962 393 D CA 1.530 55.469 54.000 -0.101 0.000 0.849 393 D CB -0.056 40.677 40.800 -0.112 0.000 0.978 393 D HN 0.511 nan 8.370 nan 0.000 0.488 394 T N -2.244 112.078 114.554 -0.387 0.000 2.906 394 T HA 0.586 4.936 4.350 0.001 0.000 0.295 394 T C -0.798 173.513 174.700 -0.648 0.000 1.075 394 T CA -0.890 60.994 62.100 -0.361 0.000 1.005 394 T CB 1.473 70.245 68.868 -0.160 0.000 1.136 394 T HN -0.220 nan 8.240 nan 0.000 0.498 395 F N 2.053 121.850 119.950 -0.254 0.000 2.332 395 F HA 0.432 4.960 4.527 0.001 0.000 0.368 395 F C 0.263 176.020 175.800 -0.070 0.000 1.110 395 F CA -1.066 56.749 58.000 -0.308 0.000 1.087 395 F CB 0.939 39.384 39.000 -0.925 0.000 1.235 395 F HN 0.430 nan 8.300 nan 0.000 0.470 396 N N 5.429 124.170 118.700 0.067 0.000 2.469 396 N HA 0.409 5.150 4.740 0.001 0.000 0.239 396 N C -0.738 174.765 175.510 -0.013 0.000 1.053 396 N CA -0.099 52.955 53.050 0.007 0.000 0.937 396 N CB 1.094 39.556 38.487 -0.042 0.000 1.163 396 N HN 0.489 nan 8.380 nan 0.000 0.509 397 I N 0.975 121.496 120.570 -0.081 0.000 2.418 397 I HA 0.146 4.316 4.170 0.001 0.000 0.287 397 I C 1.052 177.045 176.117 -0.207 0.000 1.008 397 I CA -0.412 60.718 61.300 -0.284 0.000 1.104 397 I CB 1.381 39.039 38.000 -0.570 0.000 1.264 397 I HN 0.527 nan 8.210 nan 0.000 0.438 398 E N 3.346 123.472 120.200 -0.123 0.000 3.221 398 E HA -0.356 3.995 4.350 0.001 0.000 0.410 398 E C 0.192 176.793 176.600 0.002 0.000 1.531 398 E CA 2.322 58.725 56.400 0.005 0.000 1.285 398 E CB -0.435 29.361 29.700 0.159 0.000 1.542 398 E HN 0.940 nan 8.360 nan 0.000 0.482 399 D N 0.326 120.746 120.400 0.033 0.000 2.398 399 D HA 0.048 4.689 4.640 0.001 0.000 0.210 399 D C 0.019 176.293 176.300 -0.045 0.000 1.094 399 D CA 0.128 54.127 54.000 -0.002 0.000 0.839 399 D CB 0.131 40.939 40.800 0.013 0.000 0.963 399 D HN 0.095 nan 8.370 nan 0.000 0.506 400 Q N 0.716 120.473 119.800 -0.072 0.000 2.260 400 Q HA 0.393 4.733 4.340 0.001 0.000 0.242 400 Q C -0.388 175.419 176.000 -0.322 0.000 0.932 400 Q CA 0.064 55.715 55.803 -0.254 0.000 0.891 400 Q CB 1.607 30.101 28.738 -0.407 0.000 1.222 400 Q HN 0.279 nan 8.270 nan 0.000 0.453 401 E N 1.926 121.898 120.200 -0.380 0.000 2.402 401 E HA 0.229 4.580 4.350 0.001 0.000 0.244 401 E C -1.188 175.283 176.600 -0.215 0.000 0.945 401 E CA -0.269 55.991 56.400 -0.234 0.000 0.774 401 E CB 0.816 30.437 29.700 -0.131 0.000 1.296 401 E HN 0.383 nan 8.360 nan 0.000 0.414 402 Y N 1.263 121.618 120.300 0.093 0.000 2.335 402 Y HA 0.085 4.636 4.550 0.001 0.000 0.331 402 Y C 1.273 177.284 175.900 0.185 0.000 1.094 402 Y CA -0.482 57.727 58.100 0.181 0.000 1.253 402 Y CB 0.933 39.580 38.460 0.312 0.000 1.203 402 Y HN 0.329 nan 8.280 nan 0.000 0.508 403 S N 1.775 117.686 115.700 0.353 0.000 2.624 403 S HA 0.162 4.633 4.470 0.001 0.000 0.263 403 S C 0.879 175.760 174.600 0.469 0.000 1.287 403 S CA -0.542 57.863 58.200 0.341 0.000 0.990 403 S CB 0.382 63.748 63.200 0.277 0.000 0.950 403 S HN 0.567 nan 8.310 nan 0.000 0.561 404 F N 1.647 121.812 119.950 0.359 0.000 2.091 404 F HA -0.047 4.481 4.527 0.001 0.000 0.299 404 F C 2.975 178.973 175.800 0.330 0.000 1.103 404 F CA 2.391 60.640 58.000 0.414 0.000 1.228 404 F CB -1.177 38.007 39.000 0.307 0.000 0.984 404 F HN 0.820 nan 8.300 nan 0.000 0.477 405 K N 0.667 121.336 120.400 0.448 0.000 2.032 405 K HA -0.235 4.086 4.320 0.001 0.000 0.209 405 K C 1.768 178.538 176.600 0.285 0.000 1.048 405 K CA 1.920 58.396 56.287 0.316 0.000 0.927 405 K CB -1.521 31.121 32.500 0.237 0.000 0.712 405 K HN 0.673 nan 8.250 nan 0.000 0.441 406 Q N -2.181 117.802 119.800 0.305 0.000 2.389 406 Q HA 0.086 4.427 4.340 0.001 0.000 0.204 406 Q C 1.979 178.125 176.000 0.243 0.000 0.944 406 Q CA 0.910 56.879 55.803 0.277 0.000 0.908 406 Q CB -0.193 28.742 28.738 0.330 0.000 1.002 406 Q HN 0.519 nan 8.270 nan 0.000 0.493 407 F N 1.100 121.106 119.950 0.094 0.000 2.387 407 F HA 0.179 4.707 4.527 0.001 0.000 0.294 407 F C 0.498 176.230 175.800 -0.112 0.000 1.093 407 F CA -0.334 57.609 58.000 -0.096 0.000 1.420 407 F CB 0.356 39.227 39.000 -0.215 0.000 1.086 407 F HN -0.016 nan 8.300 nan 0.000 0.531 408 L N 0.598 121.858 121.223 0.063 0.000 2.485 408 L HA -0.026 4.315 4.340 0.001 0.000 0.275 408 L C 0.117 177.006 176.870 0.031 0.000 1.207 408 L CA 0.486 55.315 54.840 -0.017 0.000 0.855 408 L CB -0.509 41.643 42.059 0.154 0.000 1.114 408 L HN 0.362 nan 8.230 nan 0.000 0.485 409 Y N 0.303 120.578 120.300 -0.043 0.000 4.787 409 Y HA -0.329 4.222 4.550 0.001 0.000 0.224 409 Y C 0.910 176.789 175.900 -0.035 0.000 1.017 409 Y CA 1.006 59.107 58.100 0.001 0.000 1.949 409 Y CB -1.518 36.980 38.460 0.063 0.000 1.605 409 Y HN 0.676 nan 8.280 nan 0.000 0.587 410 N N 1.144 119.820 118.700 -0.040 0.000 2.949 410 N HA 0.163 4.904 4.740 0.001 0.000 0.243 410 N C 0.588 175.995 175.510 -0.173 0.000 1.113 410 N CA -0.040 52.959 53.050 -0.085 0.000 0.980 410 N CB 0.019 38.451 38.487 -0.091 0.000 1.256 410 N HN 0.174 nan 8.380 nan 0.000 0.508 411 N N 0.004 118.636 118.700 -0.115 0.000 2.459 411 N HA -0.115 4.626 4.740 0.001 0.000 0.181 411 N C 1.550 176.981 175.510 -0.131 0.000 1.046 411 N CA 0.473 53.455 53.050 -0.114 0.000 0.904 411 N CB 0.120 38.589 38.487 -0.031 0.000 0.964 411 N HN 0.564 nan 8.380 nan 0.000 0.444 412 S N 0.530 116.158 115.700 -0.121 0.000 2.399 412 S HA -0.049 4.422 4.470 0.001 0.000 0.231 412 S C 1.991 176.558 174.600 -0.055 0.000 1.022 412 S CA 0.472 58.616 58.200 -0.094 0.000 0.983 412 S CB -0.503 62.658 63.200 -0.065 0.000 0.803 412 S HN 0.251 nan 8.310 nan 0.000 0.480 413 I N 0.862 121.400 120.570 -0.054 0.000 2.208 413 I HA -0.152 4.019 4.170 0.001 0.000 0.245 413 I C 2.519 178.740 176.117 0.174 0.000 1.097 413 I CA 1.165 62.507 61.300 0.070 0.000 1.363 413 I CB -0.452 37.464 38.000 -0.139 0.000 1.051 413 I HN 0.318 nan 8.210 nan 0.000 0.413 414 L N 0.446 121.579 121.223 -0.149 0.000 2.056 414 L HA -0.163 4.178 4.340 0.001 0.000 0.207 414 L C 2.160 178.869 176.870 -0.269 0.000 1.078 414 L CA 1.901 56.411 54.840 -0.550 0.000 0.749 414 L CB -0.453 41.199 42.059 -0.679 0.000 0.901 414 L HN 0.072 nan 8.230 nan 0.000 0.433 415 L N -0.533 120.573 121.223 -0.195 0.000 2.131 415 L HA -0.081 4.260 4.340 0.001 0.000 0.206 415 L C 2.541 179.387 176.870 -0.041 0.000 1.087 415 L CA 1.370 56.121 54.840 -0.149 0.000 0.767 415 L CB -0.743 41.192 42.059 -0.207 0.000 0.917 415 L HN 0.371 nan 8.230 nan 0.000 0.441 416 E N -0.999 119.182 120.200 -0.031 0.000 2.051 416 E HA -0.215 4.135 4.350 0.001 0.000 0.192 416 E C 2.054 178.600 176.600 -0.091 0.000 0.991 416 E CA 1.209 57.567 56.400 -0.071 0.000 0.799 416 E CB 0.050 29.684 29.700 -0.110 0.000 0.748 416 E HN 0.602 nan 8.360 nan 0.000 0.449 417 H N -0.826 118.308 119.070 0.106 0.000 2.415 417 H HA 0.136 4.693 4.556 0.001 0.000 0.297 417 H C 1.081 176.474 175.328 0.108 0.000 1.048 417 H CA 0.973 57.110 56.048 0.148 0.000 1.365 417 H CB 0.547 30.477 29.762 0.280 0.000 1.421 417 H HN 0.277 nan 8.280 nan 0.000 0.533 418 G N 0.459 109.359 108.800 0.166 0.000 2.705 418 G HA2 -0.219 3.742 3.960 0.001 0.000 0.686 418 G HA3 -0.219 3.742 3.960 0.001 0.000 0.686 418 G C 0.360 175.288 174.900 0.047 0.000 1.285 418 G CA -0.090 45.064 45.100 0.089 0.000 0.800 418 G HN 0.200 nan 8.290 nan 0.000 0.611 419 L N 1.038 122.246 121.223 -0.026 0.000 2.079 419 L HA 0.002 4.343 4.340 0.001 0.000 0.210 419 L C 3.153 180.020 176.870 -0.005 0.000 1.081 419 L CA 3.312 58.106 54.840 -0.077 0.000 0.752 419 L CB -0.710 41.273 42.059 -0.127 0.000 0.896 419 L HN 0.857 nan 8.230 nan 0.000 0.433 420 T N -1.791 112.765 114.554 0.003 0.000 2.708 420 T HA -0.251 4.100 4.350 0.001 0.000 0.266 420 T C 1.800 176.522 174.700 0.037 0.000 1.037 420 T CA 1.531 63.636 62.100 0.008 0.000 1.146 420 T CB -0.166 68.704 68.868 0.004 0.000 0.865 420 T HN 0.227 nan 8.240 nan 0.000 0.435 421 Q N -0.010 119.836 119.800 0.077 0.000 2.172 421 Q HA 0.051 4.392 4.340 0.001 0.000 0.200 421 Q C 1.778 177.777 176.000 -0.002 0.000 0.964 421 Q CA 1.204 57.049 55.803 0.070 0.000 0.855 421 Q CB -0.630 28.194 28.738 0.143 0.000 0.918 421 Q HN 0.469 nan 8.270 nan 0.000 0.444 422 F N -0.885 118.936 119.950 -0.214 0.000 2.095 422 F HA -0.217 4.310 4.527 0.001 0.000 0.298 422 F C 2.170 177.733 175.800 -0.395 0.000 1.104 422 F CA 1.268 58.995 58.000 -0.456 0.000 1.232 422 F CB -0.654 38.112 39.000 -0.391 0.000 0.987 422 F HN -0.066 nan 8.300 nan 0.000 0.475 423 V N -0.217 119.697 119.914 -0.001 0.000 2.295 423 V HA -0.303 3.818 4.120 0.001 0.000 0.246 423 V C 2.191 178.305 176.094 0.035 0.000 1.049 423 V CA 2.189 64.503 62.300 0.023 0.000 1.024 423 V CB -0.673 31.145 31.823 -0.007 0.000 0.648 423 V HN 0.314 nan 8.190 nan 0.000 0.447 424 E N 0.014 120.221 120.200 0.012 0.000 2.077 424 E HA -0.177 4.174 4.350 0.001 0.000 0.193 424 E C 2.418 179.034 176.600 0.028 0.000 0.989 424 E CA 1.615 58.037 56.400 0.036 0.000 0.800 424 E CB -0.189 29.529 29.700 0.029 0.000 0.746 424 E HN 0.534 nan 8.360 nan 0.000 0.452 425 S N 0.297 115.962 115.700 -0.058 0.000 2.355 425 S HA -0.082 4.389 4.470 0.001 0.000 0.222 425 S C 1.591 176.265 174.600 0.123 0.000 1.031 425 S CA 0.753 58.914 58.200 -0.065 0.000 0.993 425 S CB -0.173 62.861 63.200 -0.277 0.000 0.859 425 S HN 0.183 nan 8.310 nan 0.000 0.453 426 F N 2.286 122.244 119.950 0.012 0.000 2.293 426 F HA 0.008 4.535 4.527 0.001 0.000 0.300 426 F C 2.637 178.507 175.800 0.117 0.000 1.086 426 F CA 0.481 58.535 58.000 0.090 0.000 1.375 426 F CB -1.715 37.384 39.000 0.165 0.000 1.045 426 F HN 0.151 nan 8.300 nan 0.000 0.516 427 T N -0.452 114.269 114.554 0.279 0.000 2.915 427 T HA -0.123 4.228 4.350 0.001 0.000 0.269 427 T C 2.095 176.895 174.700 0.167 0.000 1.071 427 T CA 1.022 63.240 62.100 0.196 0.000 1.132 427 T CB -0.072 68.886 68.868 0.151 0.000 0.878 427 T HN 0.236 nan 8.240 nan 0.000 0.479 428 R N 0.530 121.121 120.500 0.151 0.000 2.189 428 R HA 0.171 4.512 4.340 0.001 0.000 0.203 428 R C 1.295 177.652 176.300 0.095 0.000 1.012 428 R CA 0.094 56.258 56.100 0.107 0.000 1.015 428 R CB 0.164 30.510 30.300 0.076 0.000 0.938 428 R HN 0.380 nan 8.270 nan 0.000 0.472 429 Q N 1.941 121.814 119.800 0.121 0.000 2.307 429 Q HA 0.167 4.507 4.340 0.001 0.000 0.259 429 Q C -0.610 175.432 176.000 0.069 0.000 0.998 429 Q CA -0.174 55.676 55.803 0.078 0.000 0.923 429 Q CB 0.799 29.587 28.738 0.083 0.000 1.196 429 Q HN 0.140 nan 8.270 nan 0.000 0.416 430 I N 3.419 124.027 120.570 0.063 0.000 2.692 430 I HA 0.212 4.383 4.170 0.001 0.000 0.284 430 I C -0.139 176.063 176.117 0.142 0.000 1.159 430 I CA 0.128 61.488 61.300 0.101 0.000 1.423 430 I CB 0.743 38.818 38.000 0.125 0.000 1.380 430 I HN 0.834 nan 8.210 nan 0.000 0.580 431 A N 5.360 128.264 122.820 0.140 0.000 2.242 431 A HA 0.721 5.041 4.320 0.001 0.000 0.304 431 A C 0.224 177.942 177.584 0.223 0.000 1.100 431 A CA -0.077 52.065 52.037 0.174 0.000 0.860 431 A CB 0.395 19.469 19.000 0.124 0.000 1.168 431 A HN 0.843 nan 8.150 nan 0.000 0.503 432 G N -0.654 108.268 108.800 0.202 0.000 2.476 432 G HA2 0.486 4.447 3.960 0.001 0.000 0.286 432 G HA3 0.486 4.447 3.960 0.001 0.000 0.286 432 G C 0.076 174.882 174.900 -0.157 0.000 1.177 432 G CA -0.648 44.397 45.100 -0.091 0.000 0.870 432 G HN 0.853 nan 8.290 nan 0.000 0.528 433 R N 0.333 120.673 120.500 -0.267 0.000 2.543 433 R HA 0.263 4.604 4.340 0.001 0.000 0.277 433 R C 0.776 176.979 176.300 -0.162 0.000 1.074 433 R CA -0.459 55.497 56.100 -0.239 0.000 1.076 433 R CB 0.933 31.087 30.300 -0.243 0.000 0.993 433 R HN 0.251 nan 8.270 nan 0.000 0.459 434 V N 3.277 123.087 119.914 -0.173 0.000 2.403 434 V HA 0.109 4.229 4.120 0.001 0.000 0.239 434 V C 0.963 177.034 176.094 -0.039 0.000 1.041 434 V CA 1.329 63.590 62.300 -0.066 0.000 1.051 434 V CB -0.434 31.361 31.823 -0.046 0.000 0.704 434 V HN 0.914 nan 8.190 nan 0.000 0.472 435 A N -0.350 122.446 122.820 -0.040 0.000 2.310 435 A HA 0.502 4.822 4.320 0.001 0.000 0.260 435 A C 1.504 179.043 177.584 -0.076 0.000 1.112 435 A CA 0.659 52.669 52.037 -0.045 0.000 0.804 435 A CB -0.293 18.694 19.000 -0.021 0.000 1.081 435 A HN 1.451 nan 8.150 nan 0.000 0.499 436 G N -1.714 107.042 108.800 -0.072 0.000 2.213 436 G HA2 0.372 4.333 3.960 0.001 0.000 0.226 436 G HA3 0.372 4.333 3.960 0.001 0.000 0.226 436 G C 1.578 176.437 174.900 -0.069 0.000 0.992 436 G CA 0.598 45.653 45.100 -0.075 0.000 0.632 436 G HN 3.096 nan 8.290 nan 0.000 0.511 437 G N -0.591 108.170 108.800 -0.065 0.000 2.690 437 G HA2 0.320 4.280 3.960 0.001 0.000 0.686 437 G HA3 0.320 4.280 3.960 0.001 0.000 0.686 437 G C 0.206 175.079 174.900 -0.045 0.000 1.277 437 G CA 0.286 45.354 45.100 -0.053 0.000 0.799 437 G HN 1.664 nan 8.290 nan 0.000 0.613 438 R N -0.802 119.681 120.500 -0.029 0.000 3.158 438 R HA -0.225 4.116 4.340 0.001 0.000 0.244 438 R C 0.493 176.782 176.300 -0.017 0.000 0.900 438 R CA 1.064 57.154 56.100 -0.017 0.000 0.618 438 R CB -1.124 29.164 30.300 -0.020 0.000 1.061 438 R HN 0.695 nan 8.270 nan 0.000 0.471 439 N N -0.556 118.141 118.700 -0.004 0.000 2.232 439 N HA 0.097 4.838 4.740 0.001 0.000 0.240 439 N C -1.018 174.532 175.510 0.066 0.000 1.307 439 N CA -0.045 53.006 53.050 0.003 0.000 0.859 439 N CB 1.190 39.643 38.487 -0.057 0.000 1.260 439 N HN 0.071 nan 8.380 nan 0.000 0.501 440 V N 2.808 122.769 119.914 0.078 0.000 2.408 440 V HA 0.389 4.510 4.120 0.001 0.000 0.267 440 V C -2.039 174.099 176.094 0.073 0.000 1.047 440 V CA -1.580 60.789 62.300 0.116 0.000 0.937 440 V CB 1.041 32.941 31.823 0.129 0.000 0.999 440 V HN 0.112 nan 8.190 nan 0.000 0.472 441 P HA 0.094 nan 4.420 nan 0.000 0.265 441 P C 0.964 178.212 177.300 -0.086 0.000 1.193 441 P CA 0.203 63.305 63.100 0.003 0.000 0.765 441 P CB 0.679 32.379 31.700 -0.000 0.000 0.823 442 I N 3.106 123.618 120.570 -0.095 0.000 2.614 442 I HA -0.250 3.921 4.170 0.001 0.000 0.258 442 I C 1.840 177.859 176.117 -0.164 0.000 1.189 442 I CA 1.265 62.507 61.300 -0.097 0.000 1.462 442 I CB -0.079 37.886 38.000 -0.058 0.000 1.092 442 I HN 0.361 nan 8.210 nan 0.000 0.442 443 A N 0.047 122.674 122.820 -0.321 0.000 2.019 443 A HA -0.151 4.170 4.320 0.001 0.000 0.219 443 A C 1.892 179.305 177.584 -0.286 0.000 1.164 443 A CA 1.760 53.542 52.037 -0.424 0.000 0.644 443 A CB -0.771 17.601 19.000 -1.048 0.000 0.805 443 A HN 0.474 nan 8.150 nan 0.000 0.449 444 V N -1.356 118.413 119.914 -0.241 0.000 3.177 444 V HA 0.109 4.229 4.120 0.001 0.000 0.342 444 V C 1.490 177.501 176.094 -0.138 0.000 1.379 444 V CA 0.568 62.789 62.300 -0.131 0.000 1.191 444 V CB -0.845 30.944 31.823 -0.057 0.000 1.167 444 V HN 0.723 nan 8.190 nan 0.000 0.471 445 Q N 1.564 121.302 119.800 -0.104 0.000 2.181 445 Q HA -0.129 4.211 4.340 0.001 0.000 0.205 445 Q C 1.999 177.962 176.000 -0.063 0.000 0.980 445 Q CA 2.355 58.116 55.803 -0.070 0.000 0.862 445 Q CB -0.480 28.231 28.738 -0.046 0.000 0.905 445 Q HN 0.642 nan 8.270 nan 0.000 0.429 446 A N 1.078 123.863 122.820 -0.058 0.000 1.930 446 A HA -0.062 4.258 4.320 0.001 0.000 0.217 446 A C 2.331 179.882 177.584 -0.055 0.000 1.175 446 A CA 1.360 53.371 52.037 -0.042 0.000 0.627 446 A CB -0.611 18.373 19.000 -0.027 0.000 0.815 446 A HN 0.260 nan 8.150 nan 0.000 0.443 447 V N -0.096 119.767 119.914 -0.084 0.000 2.343 447 V HA -0.222 3.899 4.120 0.001 0.000 0.247 447 V C 3.005 179.023 176.094 -0.126 0.000 1.051 447 V CA 1.881 64.128 62.300 -0.087 0.000 1.036 447 V CB -1.330 30.433 31.823 -0.100 0.000 0.654 447 V HN 0.585 nan 8.190 nan 0.000 0.451 448 A N -0.297 122.397 122.820 -0.209 0.000 1.898 448 A HA -0.221 4.100 4.320 0.001 0.000 0.216 448 A C 2.370 179.975 177.584 0.035 0.000 1.181 448 A CA 1.986 54.003 52.037 -0.032 0.000 0.620 448 A CB -0.465 18.562 19.000 0.045 0.000 0.819 448 A HN 0.489 nan 8.150 nan 0.000 0.442 449 K N -0.251 120.150 120.400 0.000 0.000 2.057 449 K HA -0.102 4.218 4.320 0.001 0.000 0.207 449 K C 2.154 178.732 176.600 -0.036 0.000 1.049 449 K CA 1.162 57.452 56.287 0.005 0.000 0.931 449 K CB -0.306 32.191 32.500 -0.005 0.000 0.714 449 K HN 0.376 nan 8.250 nan 0.000 0.440 450 A N 0.621 123.406 122.820 -0.059 0.000 1.933 450 A HA -0.137 4.184 4.320 0.001 0.000 0.218 450 A C 2.133 179.618 177.584 -0.165 0.000 1.175 450 A CA 2.018 54.009 52.037 -0.077 0.000 0.628 450 A CB -0.527 18.447 19.000 -0.043 0.000 0.814 450 A HN 0.348 nan 8.150 nan 0.000 0.444 451 S N -0.127 115.408 115.700 -0.276 0.000 2.382 451 S HA -0.115 4.355 4.470 0.001 0.000 0.228 451 S C 1.778 176.100 174.600 -0.463 0.000 1.027 451 S CA 1.502 59.342 58.200 -0.601 0.000 0.991 451 S CB -0.480 61.976 63.200 -1.241 0.000 0.823 451 S HN 0.574 nan 8.310 nan 0.000 0.469 452 I N 1.687 122.136 120.570 -0.201 0.000 2.163 452 I HA -0.171 4.000 4.170 0.001 0.000 0.240 452 I C 2.041 178.108 176.117 -0.083 0.000 1.081 452 I CA 1.154 62.433 61.300 -0.035 0.000 1.353 452 I CB -0.460 37.595 38.000 0.092 0.000 1.054 452 I HN 0.145 nan 8.210 nan 0.000 0.407 453 D N 0.601 120.954 120.400 -0.078 0.000 2.144 453 D HA -0.190 4.451 4.640 0.001 0.000 0.199 453 D C 2.259 178.500 176.300 -0.099 0.000 0.984 453 D CA 1.275 55.237 54.000 -0.064 0.000 0.834 453 D CB -0.236 40.538 40.800 -0.043 0.000 0.955 453 D HN 0.446 nan 8.370 nan 0.000 0.465 454 Q N 0.122 119.830 119.800 -0.154 0.000 2.123 454 Q HA -0.018 4.323 4.340 0.001 0.000 0.199 454 Q C 2.291 178.110 176.000 -0.303 0.000 0.966 454 Q CA 0.751 56.446 55.803 -0.180 0.000 0.845 454 Q CB 0.084 28.721 28.738 -0.168 0.000 0.907 454 Q HN 0.070 nan 8.270 nan 0.000 0.439 455 S N 0.727 116.158 115.700 -0.448 0.000 2.374 455 S HA -0.177 4.293 4.470 0.001 0.000 0.227 455 S C 1.782 176.181 174.600 -0.335 0.000 1.037 455 S CA 1.279 59.044 58.200 -0.726 0.000 1.024 455 S CB -0.121 62.749 63.200 -0.550 0.000 0.861 455 S HN 0.325 nan 8.310 nan 0.000 0.456 456 R N 0.772 121.184 120.500 -0.147 0.000 2.090 456 R HA 0.026 4.367 4.340 0.001 0.000 0.228 456 R C 2.314 178.609 176.300 -0.009 0.000 1.110 456 R CA 1.073 57.156 56.100 -0.029 0.000 0.973 456 R CB -0.189 30.108 30.300 -0.005 0.000 0.869 456 R HN 0.472 nan 8.270 nan 0.000 0.440 457 E N 0.431 120.610 120.200 -0.035 0.000 2.153 457 E HA -0.124 4.227 4.350 0.001 0.000 0.194 457 E C 1.567 178.187 176.600 0.033 0.000 0.988 457 E CA 1.095 57.498 56.400 0.004 0.000 0.811 457 E CB 0.083 29.782 29.700 -0.001 0.000 0.746 457 E HN 0.284 nan 8.360 nan 0.000 0.466 458 M N 0.330 119.938 119.600 0.014 0.000 2.563 458 M HA 0.056 4.536 4.480 0.001 0.000 0.231 458 M C -0.377 176.043 176.300 0.201 0.000 1.136 458 M CA 0.287 55.649 55.300 0.104 0.000 1.026 458 M CB 0.433 33.107 32.600 0.123 0.000 1.597 458 M HN -0.166 nan 8.290 nan 0.000 0.495 459 K N -0.116 120.375 120.400 0.152 0.000 3.096 459 K HA -0.196 4.125 4.320 0.001 0.000 0.266 459 K C -1.189 175.563 176.600 0.254 0.000 1.043 459 K CA 0.600 56.981 56.287 0.156 0.000 0.758 459 K CB -2.507 30.050 32.500 0.096 0.000 1.260 459 K HN 0.281 nan 8.250 nan 0.000 0.481 460 Y N 1.505 121.850 120.300 0.074 0.000 2.702 460 Y HA -0.038 4.513 4.550 0.001 0.000 0.336 460 Y C 1.781 177.776 175.900 0.158 0.000 1.235 460 Y CA 0.175 58.364 58.100 0.149 0.000 1.492 460 Y CB 0.401 38.945 38.460 0.140 0.000 1.308 460 Y HN 0.176 nan 8.280 nan 0.000 0.589 461 Q N 0.970 120.928 119.800 0.263 0.000 2.500 461 Q HA 0.232 4.573 4.340 0.001 0.000 0.215 461 Q C 0.275 176.433 176.000 0.263 0.000 1.062 461 Q CA -0.362 55.508 55.803 0.113 0.000 0.996 461 Q CB 0.579 29.204 28.738 -0.189 0.000 1.239 461 Q HN 0.806 nan 8.270 nan 0.000 0.578 462 S N -0.094 115.690 115.700 0.140 0.000 2.624 462 S HA 0.027 4.498 4.470 0.001 0.000 0.263 462 S C 0.954 175.696 174.600 0.237 0.000 1.287 462 S CA -0.621 57.678 58.200 0.166 0.000 0.990 462 S CB 0.534 63.780 63.200 0.078 0.000 0.950 462 S HN 0.656 nan 8.310 nan 0.000 0.561 463 L N 1.428 122.758 121.223 0.177 0.000 1.997 463 L HA -0.167 4.174 4.340 0.001 0.000 0.216 463 L C 2.024 178.984 176.870 0.149 0.000 1.074 463 L CA 2.160 57.102 54.840 0.170 0.000 0.763 463 L CB -1.354 40.754 42.059 0.082 0.000 0.890 463 L HN 0.756 nan 8.230 nan 0.000 0.434 464 N N -0.355 118.387 118.700 0.070 0.000 2.223 464 N HA -0.152 4.589 4.740 0.001 0.000 0.185 464 N C 1.735 177.244 175.510 -0.001 0.000 1.016 464 N CA 1.181 54.242 53.050 0.019 0.000 0.863 464 N CB -0.239 38.238 38.487 -0.018 0.000 0.983 464 N HN 0.480 nan 8.380 nan 0.000 0.429 465 E N -0.054 120.135 120.200 -0.018 0.000 2.072 465 E HA -0.118 4.232 4.350 0.001 0.000 0.191 465 E C 1.791 178.316 176.600 -0.125 0.000 0.985 465 E CA 0.810 57.142 56.400 -0.114 0.000 0.801 465 E CB -0.440 29.140 29.700 -0.199 0.000 0.750 465 E HN 0.541 nan 8.360 nan 0.000 0.452 466 Y N 0.911 121.239 120.300 0.046 0.000 2.242 466 Y HA -0.084 4.467 4.550 0.001 0.000 0.291 466 Y C 2.629 178.625 175.900 0.160 0.000 1.137 466 Y CA 1.095 59.270 58.100 0.124 0.000 1.181 466 Y CB 0.002 38.517 38.460 0.093 0.000 0.989 466 Y HN -0.039 nan 8.280 nan 0.000 0.527 467 R N 0.335 120.952 120.500 0.194 0.000 2.073 467 R HA -0.166 4.174 4.340 0.001 0.000 0.234 467 R C 2.114 178.457 176.300 0.072 0.000 1.134 467 R CA 1.656 57.813 56.100 0.095 0.000 0.952 467 R CB -0.211 30.073 30.300 -0.026 0.000 0.850 467 R HN 0.322 nan 8.270 nan 0.000 0.433 468 K N -0.008 120.402 120.400 0.016 0.000 2.057 468 K HA -0.166 4.154 4.320 0.001 0.000 0.207 468 K C 2.109 178.693 176.600 -0.028 0.000 1.049 468 K CA 1.153 57.422 56.287 -0.030 0.000 0.931 468 K CB -0.154 32.300 32.500 -0.076 0.000 0.714 468 K HN -0.070 nan 8.250 nan 0.000 0.440 469 R N 0.942 121.431 120.500 -0.018 0.000 2.139 469 R HA -0.126 4.215 4.340 0.001 0.000 0.243 469 R C 0.942 177.091 176.300 -0.251 0.000 1.145 469 R CA 1.572 57.604 56.100 -0.113 0.000 0.976 469 R CB -0.393 29.860 30.300 -0.079 0.000 0.866 469 R HN 0.124 nan 8.270 nan 0.000 0.449 470 F N 0.108 120.028 119.950 -0.050 0.000 2.750 470 F HA 0.310 4.838 4.527 0.001 0.000 0.297 470 F C 0.406 176.171 175.800 -0.058 0.000 1.138 470 F CA -0.022 57.928 58.000 -0.084 0.000 1.346 470 F CB 0.384 39.332 39.000 -0.087 0.000 0.965 470 F HN -0.108 nan 8.300 nan 0.000 0.514 471 S N 1.005 116.741 115.700 0.059 0.000 3.748 471 S HA -0.171 4.299 4.470 0.001 0.000 0.329 471 S C -0.249 174.379 174.600 0.048 0.000 1.104 471 S CA 0.223 58.461 58.200 0.064 0.000 0.954 471 S CB -1.827 61.449 63.200 0.127 0.000 0.910 471 S HN 0.294 nan 8.310 nan 0.000 0.494 472 L N 0.177 121.412 121.223 0.021 0.000 2.342 472 L HA 0.474 4.815 4.340 0.001 0.000 0.271 472 L C 0.504 177.325 176.870 -0.082 0.000 1.008 472 L CA -1.057 53.763 54.840 -0.033 0.000 0.818 472 L CB 1.323 43.351 42.059 -0.053 0.000 1.296 472 L HN -0.093 nan 8.230 nan 0.000 0.427 473 K N 1.942 122.272 120.400 -0.116 0.000 2.412 473 K HA 0.205 4.526 4.320 0.001 0.000 0.281 473 K C -2.292 174.175 176.600 -0.222 0.000 1.027 473 K CA -1.192 55.013 56.287 -0.137 0.000 0.989 473 K CB 0.126 32.555 32.500 -0.118 0.000 0.935 473 K HN 0.401 nan 8.250 nan 0.000 0.475 474 P HA 0.050 nan 4.420 nan 0.000 0.269 474 P C -0.618 176.572 177.300 -0.182 0.000 1.209 474 P CA -0.213 62.788 63.100 -0.166 0.000 0.776 474 P CB 0.238 31.884 31.700 -0.089 0.000 0.876 475 Y N 0.807 121.056 120.300 -0.084 0.000 2.511 475 Y HA 0.034 4.585 4.550 0.001 0.000 0.332 475 Y C 2.158 177.979 175.900 -0.131 0.000 1.177 475 Y CA 0.730 58.765 58.100 -0.109 0.000 1.422 475 Y CB 0.048 38.421 38.460 -0.145 0.000 1.271 475 Y HN 0.398 nan 8.280 nan 0.000 0.550 476 T N -2.502 112.095 114.554 0.072 0.000 3.044 476 T HA 0.204 4.555 4.350 0.001 0.000 0.250 476 T C 0.324 175.004 174.700 -0.034 0.000 1.081 476 T CA 0.406 62.506 62.100 0.000 0.000 1.040 476 T CB -0.121 68.752 68.868 0.009 0.000 0.962 476 T HN 0.497 nan 8.240 nan 0.000 0.506 477 S N -0.956 114.714 115.700 -0.051 0.000 2.596 477 S HA 0.608 5.079 4.470 0.001 0.000 0.270 477 S C -0.137 174.351 174.600 -0.187 0.000 1.155 477 S CA -0.936 57.214 58.200 -0.083 0.000 0.827 477 S CB 0.487 63.699 63.200 0.021 0.000 1.130 477 S HN -0.074 nan 8.310 nan 0.000 0.467 478 F N 1.039 120.960 119.950 -0.048 0.000 2.234 478 F HA 0.114 4.642 4.527 0.001 0.000 0.299 478 F C 2.513 178.238 175.800 -0.124 0.000 1.087 478 F CA 1.376 59.317 58.000 -0.099 0.000 1.340 478 F CB -0.303 38.662 39.000 -0.059 0.000 1.031 478 F HN 0.693 nan 8.300 nan 0.000 0.500 479 E N -0.128 120.127 120.200 0.091 0.000 2.204 479 E HA -0.218 4.132 4.350 0.001 0.000 0.194 479 E C 2.035 178.612 176.600 -0.037 0.000 0.989 479 E CA 0.906 57.319 56.400 0.023 0.000 0.824 479 E CB -0.186 29.535 29.700 0.035 0.000 0.756 479 E HN 0.508 nan 8.360 nan 0.000 0.477 480 E N 0.761 120.929 120.200 -0.054 0.000 2.107 480 E HA -0.178 4.172 4.350 0.001 0.000 0.191 480 E C 2.140 178.573 176.600 -0.278 0.000 0.982 480 E CA 0.358 56.729 56.400 -0.049 0.000 0.809 480 E CB 0.104 29.851 29.700 0.079 0.000 0.756 480 E HN 0.108 nan 8.360 nan 0.000 0.459 481 L N 0.893 121.765 121.223 -0.585 0.000 1.994 481 L HA -0.155 4.186 4.340 0.001 0.000 0.208 481 L C 2.519 179.120 176.870 -0.447 0.000 1.071 481 L CA 2.760 57.002 54.840 -0.997 0.000 0.745 481 L CB -0.966 40.622 42.059 -0.784 0.000 0.892 481 L HN 0.261 nan 8.230 nan 0.000 0.431 482 T N -3.691 110.726 114.554 -0.230 0.000 3.054 482 T HA 0.229 4.579 4.350 0.001 0.000 0.259 482 T C 1.484 176.132 174.700 -0.086 0.000 1.092 482 T CA 0.427 62.451 62.100 -0.127 0.000 1.121 482 T CB -0.552 68.273 68.868 -0.070 0.000 0.912 482 T HN 0.814 nan 8.240 nan 0.000 0.489 483 G N 1.448 110.203 108.800 -0.075 0.000 2.221 483 G HA2 -0.195 3.766 3.960 0.001 0.000 0.265 483 G HA3 -0.195 3.766 3.960 0.001 0.000 0.265 483 G C -0.228 174.656 174.900 -0.027 0.000 1.041 483 G CA 0.550 45.627 45.100 -0.037 0.000 0.807 483 G HN 0.952 nan 8.290 nan 0.000 0.502 484 E N -1.497 118.687 120.200 -0.026 0.000 2.447 484 E HA 0.444 4.795 4.350 0.001 0.000 0.279 484 E C 0.234 176.827 176.600 -0.011 0.000 1.053 484 E CA -0.765 55.623 56.400 -0.020 0.000 0.840 484 E CB 0.419 30.102 29.700 -0.029 0.000 1.409 484 E HN 0.038 nan 8.360 nan 0.000 0.461 485 K N 0.202 120.595 120.400 -0.010 0.000 2.367 485 K HA 0.105 4.425 4.320 0.001 0.000 0.198 485 K C 1.631 178.224 176.600 -0.011 0.000 1.132 485 K CA 0.289 56.573 56.287 -0.006 0.000 0.941 485 K CB 0.478 32.976 32.500 -0.004 0.000 1.052 485 K HN 0.452 nan 8.250 nan 0.000 0.507 486 E N 1.259 121.449 120.200 -0.016 0.000 2.028 486 E HA -0.098 4.253 4.350 0.001 0.000 0.190 486 E C 1.967 178.550 176.600 -0.027 0.000 0.984 486 E CA 1.028 57.415 56.400 -0.021 0.000 0.800 486 E CB 0.142 29.830 29.700 -0.020 0.000 0.758 486 E HN 0.120 nan 8.360 nan 0.000 0.448 487 M N 0.374 119.958 119.600 -0.026 0.000 2.159 487 M HA -0.123 4.357 4.480 0.001 0.000 0.263 487 M C 2.448 178.727 176.300 -0.035 0.000 1.063 487 M CA 1.314 56.596 55.300 -0.029 0.000 1.110 487 M CB -0.196 32.389 32.600 -0.026 0.000 1.374 487 M HN 0.213 nan 8.290 nan 0.000 0.411 488 A N 0.728 123.537 122.820 -0.018 0.000 1.892 488 A HA -0.155 4.165 4.320 0.001 0.000 0.218 488 A C 2.393 179.931 177.584 -0.075 0.000 1.188 488 A CA 2.217 54.257 52.037 0.005 0.000 0.631 488 A CB -1.024 18.003 19.000 0.045 0.000 0.822 488 A HN 0.511 nan 8.150 nan 0.000 0.447 489 A N -0.494 122.289 122.820 -0.060 0.000 1.902 489 A HA -0.147 4.173 4.320 0.001 0.000 0.217 489 A C 1.928 179.437 177.584 -0.124 0.000 1.181 489 A CA 1.652 53.641 52.037 -0.081 0.000 0.623 489 A CB -0.438 18.535 19.000 -0.045 0.000 0.818 489 A HN 0.521 nan 8.150 nan 0.000 0.443 490 E N 0.106 120.246 120.200 -0.101 0.000 2.110 490 E HA -0.134 4.217 4.350 0.001 0.000 0.193 490 E C 2.038 178.554 176.600 -0.140 0.000 0.988 490 E CA 0.949 57.291 56.400 -0.096 0.000 0.804 490 E CB -0.413 29.252 29.700 -0.057 0.000 0.745 490 E HN 0.683 nan 8.360 nan 0.000 0.458 491 L N 0.718 121.822 121.223 -0.198 0.000 2.109 491 L HA -0.142 4.199 4.340 0.001 0.000 0.207 491 L C 2.557 178.984 176.870 -0.740 0.000 1.086 491 L CA 0.939 55.609 54.840 -0.284 0.000 0.760 491 L CB -0.335 41.583 42.059 -0.235 0.000 0.910 491 L HN 0.041 nan 8.230 nan 0.000 0.437 492 K N 1.004 120.837 120.400 -0.945 0.000 2.063 492 K HA -0.157 4.164 4.320 0.001 0.000 0.208 492 K C 1.932 178.335 176.600 -0.328 0.000 1.048 492 K CA 1.767 57.567 56.287 -0.811 0.000 0.928 492 K CB -0.318 31.970 32.500 -0.353 0.000 0.713 492 K HN 0.222 nan 8.250 nan 0.000 0.442 493 A N -0.138 122.548 122.820 -0.224 0.000 2.119 493 A HA 0.069 4.390 4.320 0.001 0.000 0.216 493 A C 2.029 179.538 177.584 -0.125 0.000 1.152 493 A CA 0.945 52.906 52.037 -0.128 0.000 0.708 493 A CB -0.316 18.625 19.000 -0.097 0.000 0.805 493 A HN 0.313 nan 8.150 nan 0.000 0.460 494 L N -2.993 118.134 121.223 -0.160 0.000 2.221 494 L HA 0.038 4.379 4.340 0.001 0.000 0.202 494 L C 2.137 178.837 176.870 -0.283 0.000 1.074 494 L CA 0.904 55.612 54.840 -0.219 0.000 0.795 494 L CB -0.172 41.735 42.059 -0.253 0.000 0.960 494 L HN 0.456 nan 8.230 nan 0.000 0.458 495 Y N -1.341 118.899 120.300 -0.101 0.000 2.524 495 Y HA 0.031 4.582 4.550 0.001 0.000 0.270 495 Y C 1.975 177.932 175.900 0.096 0.000 1.094 495 Y CA 0.517 58.642 58.100 0.042 0.000 1.276 495 Y CB 0.593 39.171 38.460 0.196 0.000 1.130 495 Y HN 0.074 nan 8.280 nan 0.000 0.536 496 S N -1.064 114.741 115.700 0.175 0.000 1.703 496 S HA -0.266 4.205 4.470 0.001 0.000 0.232 496 S C -0.089 174.706 174.600 0.325 0.000 0.865 496 S CA 1.697 60.002 58.200 0.174 0.000 1.462 496 S CB -1.175 62.092 63.200 0.112 0.000 1.879 496 S HN 0.526 nan 8.310 nan 0.000 0.532 497 D N 0.056 120.689 120.400 0.389 0.000 2.629 497 D HA 0.580 5.220 4.640 0.001 0.000 0.250 497 D C 0.584 176.998 176.300 0.190 0.000 1.126 497 D CA -0.570 53.593 54.000 0.272 0.000 0.852 497 D CB 1.398 42.288 40.800 0.149 0.000 1.335 497 D HN 0.071 nan 8.370 nan 0.000 0.518 498 I N 2.880 123.341 120.570 -0.182 0.000 2.335 498 I HA -0.195 3.976 4.170 0.001 0.000 0.251 498 I C 1.101 177.062 176.117 -0.260 0.000 1.129 498 I CA 1.491 62.399 61.300 -0.653 0.000 1.402 498 I CB -0.006 37.581 38.000 -0.689 0.000 1.069 498 I HN 0.358 nan 8.210 nan 0.000 0.424 499 D N -0.382 119.958 120.400 -0.100 0.000 2.378 499 D HA -0.030 4.610 4.640 0.001 0.000 0.227 499 D C 1.853 178.155 176.300 0.004 0.000 1.012 499 D CA 1.278 55.253 54.000 -0.042 0.000 0.905 499 D CB 0.056 40.843 40.800 -0.022 0.000 0.895 499 D HN 0.459 nan 8.370 nan 0.000 0.532 500 V N -2.710 117.231 119.914 0.046 0.000 3.477 500 V HA 0.290 4.410 4.120 0.001 0.000 0.297 500 V C 0.596 176.754 176.094 0.107 0.000 1.433 500 V CA -0.595 61.773 62.300 0.112 0.000 1.052 500 V CB -0.241 31.686 31.823 0.173 0.000 0.895 500 V HN -0.139 nan 8.190 nan 0.000 0.438 501 M N 2.642 122.205 119.600 -0.062 0.000 2.251 501 M HA 0.250 4.730 4.480 0.001 0.000 0.343 501 M C 0.220 176.431 176.300 -0.147 0.000 1.245 501 M CA 0.369 55.466 55.300 -0.339 0.000 1.061 501 M CB -0.341 32.073 32.600 -0.310 0.000 1.723 501 M HN 0.514 nan 8.290 nan 0.000 0.449 502 E N 3.312 123.419 120.200 -0.155 0.000 2.349 502 E HA 0.101 4.452 4.350 0.001 0.000 0.265 502 E C 0.582 177.214 176.600 0.054 0.000 1.064 502 E CA -0.533 55.906 56.400 0.065 0.000 0.886 502 E CB 0.929 30.733 29.700 0.173 0.000 1.036 502 E HN 0.774 nan 8.360 nan 0.000 0.413 503 L N 2.861 124.161 121.223 0.128 0.000 2.005 503 L HA -0.205 4.136 4.340 0.001 0.000 0.207 503 L C 2.092 179.002 176.870 0.066 0.000 1.072 503 L CA 1.819 56.710 54.840 0.086 0.000 0.744 503 L CB -0.610 41.474 42.059 0.042 0.000 0.895 503 L HN 0.704 nan 8.230 nan 0.000 0.433 504 Y N 1.621 121.919 120.300 -0.004 0.000 2.089 504 Y HA -0.097 4.454 4.550 0.001 0.000 0.282 504 Y C -0.662 175.246 175.900 0.013 0.000 1.139 504 Y CA 1.900 59.988 58.100 -0.021 0.000 1.123 504 Y CB -1.940 36.475 38.460 -0.075 0.000 0.980 504 Y HN 0.259 nan 8.280 nan 0.000 0.493 505 P HA -0.143 nan 4.420 nan 0.000 0.220 505 P C 1.219 178.400 177.300 -0.197 0.000 1.148 505 P CA 2.132 65.072 63.100 -0.266 0.000 0.803 505 P CB -0.311 31.385 31.700 -0.007 0.000 0.782 506 A N 0.100 122.841 122.820 -0.133 0.000 1.930 506 A HA -0.095 4.226 4.320 0.001 0.000 0.217 506 A C 2.351 179.870 177.584 -0.108 0.000 1.175 506 A CA 1.076 53.048 52.037 -0.107 0.000 0.627 506 A CB -1.521 17.439 19.000 -0.067 0.000 0.815 506 A HN 0.130 nan 8.150 nan 0.000 0.443 507 L N -0.625 120.525 121.223 -0.123 0.000 2.131 507 L HA -0.130 4.211 4.340 0.001 0.000 0.210 507 L C 2.237 179.036 176.870 -0.118 0.000 1.092 507 L CA 0.863 55.639 54.840 -0.106 0.000 0.759 507 L CB -0.368 41.641 42.059 -0.083 0.000 0.903 507 L HN 0.366 nan 8.230 nan 0.000 0.435 508 L N -0.789 120.325 121.223 -0.182 0.000 2.341 508 L HA -0.028 4.313 4.340 0.001 0.000 0.214 508 L C 2.094 178.904 176.870 -0.100 0.000 1.115 508 L CA 0.375 55.133 54.840 -0.137 0.000 0.820 508 L CB -0.189 41.757 42.059 -0.189 0.000 0.944 508 L HN 0.233 nan 8.230 nan 0.000 0.452 509 V N -3.978 115.873 119.914 -0.106 0.000 3.660 509 V HA 0.133 4.253 4.120 0.001 0.000 0.276 509 V C 0.942 176.982 176.094 -0.091 0.000 1.317 509 V CA -0.297 61.953 62.300 -0.084 0.000 1.097 509 V CB -0.228 31.553 31.823 -0.070 0.000 0.863 509 V HN 0.258 nan 8.190 nan 0.000 0.438 510 E N 2.367 122.510 120.200 -0.095 0.000 2.442 510 E HA 0.020 4.371 4.350 0.001 0.000 0.262 510 E C 0.312 176.867 176.600 -0.075 0.000 1.004 510 E CA -0.240 56.102 56.400 -0.098 0.000 0.928 510 E CB 0.470 30.138 29.700 -0.054 0.000 0.937 510 E HN 0.514 nan 8.360 nan 0.000 0.446 511 K N 5.559 125.911 120.400 -0.080 0.000 2.430 511 K HA 0.051 4.372 4.320 0.001 0.000 0.280 511 K C -2.287 174.295 176.600 -0.029 0.000 1.063 511 K CA -1.152 55.105 56.287 -0.049 0.000 1.071 511 K CB 0.304 32.782 32.500 -0.036 0.000 0.899 511 K HN 0.245 nan 8.250 nan 0.000 0.473 512 P HA 0.141 nan 4.420 nan 0.000 0.274 512 P C -0.709 176.571 177.300 -0.034 0.000 1.237 512 P CA -0.486 62.586 63.100 -0.046 0.000 0.793 512 P CB 0.598 32.252 31.700 -0.076 0.000 0.977 513 R N 2.256 122.727 120.500 -0.049 0.000 2.861 513 R HA 0.152 4.492 4.340 0.001 0.000 0.268 513 R C -1.943 174.365 176.300 0.014 0.000 1.027 513 R CA -1.084 55.001 56.100 -0.024 0.000 1.163 513 R CB -1.437 28.790 30.300 -0.122 0.000 1.060 513 R HN 0.390 nan 8.270 nan 0.000 0.483 514 P HA -0.086 nan 4.420 nan 0.000 0.257 514 P C -0.928 176.382 177.300 0.017 0.000 1.189 514 P CA 0.789 63.925 63.100 0.060 0.000 0.780 514 P CB 0.223 31.996 31.700 0.121 0.000 0.772 515 D N 0.220 120.605 120.400 -0.025 0.000 2.837 515 D HA -0.204 4.436 4.640 0.001 0.000 0.230 515 D C 0.260 176.496 176.300 -0.106 0.000 1.152 515 D CA 1.399 55.361 54.000 -0.064 0.000 0.736 515 D CB -0.992 39.773 40.800 -0.058 0.000 1.084 515 D HN 0.456 nan 8.370 nan 0.000 0.429 516 A N -0.115 122.638 122.820 -0.112 0.000 2.281 516 A HA 0.678 4.999 4.320 0.001 0.000 0.329 516 A C 1.302 178.725 177.584 -0.267 0.000 1.122 516 A CA -0.454 51.472 52.037 -0.184 0.000 0.850 516 A CB 1.137 20.057 19.000 -0.134 0.000 1.207 516 A HN 0.156 nan 8.150 nan 0.000 0.495 517 I N -0.956 119.347 120.570 -0.444 0.000 2.500 517 I HA 0.126 4.297 4.170 0.001 0.000 0.252 517 I C -0.581 175.223 176.117 -0.523 0.000 1.142 517 I CA 0.682 61.618 61.300 -0.606 0.000 1.451 517 I CB -0.065 37.350 38.000 -0.974 0.000 1.093 517 I HN 0.462 nan 8.210 nan 0.000 0.430 518 F N 0.052 119.826 119.950 -0.294 0.000 2.556 518 F HA 0.613 5.141 4.527 0.001 0.000 0.327 518 F C 0.851 176.529 175.800 -0.204 0.000 1.059 518 F CA -1.300 56.533 58.000 -0.278 0.000 0.953 518 F CB 0.774 39.586 39.000 -0.313 0.000 1.227 518 F HN -0.218 nan 8.300 nan 0.000 0.478 519 G N -0.181 108.655 108.800 0.060 0.000 2.535 519 G HA2 0.232 4.192 3.960 0.001 0.000 0.303 519 G HA3 0.232 4.192 3.960 0.001 0.000 0.303 519 G C 0.646 175.531 174.900 -0.024 0.000 1.237 519 G CA -0.339 44.761 45.100 -0.001 0.000 0.986 519 G HN 0.726 nan 8.290 nan 0.000 0.494 520 E N -0.908 119.283 120.200 -0.015 0.000 2.085 520 E HA -0.174 4.177 4.350 0.001 0.000 0.194 520 E C 2.280 178.854 176.600 -0.043 0.000 0.994 520 E CA 1.818 58.199 56.400 -0.032 0.000 0.801 520 E CB -0.165 29.533 29.700 -0.004 0.000 0.743 520 E HN 0.467 nan 8.360 nan 0.000 0.453 521 T N 0.977 115.518 114.554 -0.022 0.000 2.788 521 T HA -0.191 4.160 4.350 0.001 0.000 0.268 521 T C 1.713 176.340 174.700 -0.122 0.000 1.044 521 T CA 1.492 63.561 62.100 -0.052 0.000 1.139 521 T CB -0.233 68.641 68.868 0.011 0.000 0.867 521 T HN 0.161 nan 8.240 nan 0.000 0.454 522 M N 1.296 120.803 119.600 -0.155 0.000 2.080 522 M HA -0.067 4.414 4.480 0.001 0.000 0.260 522 M C 2.059 178.211 176.300 -0.246 0.000 1.068 522 M CA 1.507 56.639 55.300 -0.281 0.000 1.109 522 M CB -0.535 31.720 32.600 -0.575 0.000 1.342 522 M HN 0.084 nan 8.290 nan 0.000 0.405 523 V N -0.197 119.615 119.914 -0.170 0.000 2.407 523 V HA -0.141 3.980 4.120 0.001 0.000 0.245 523 V C 2.292 178.347 176.094 -0.065 0.000 1.041 523 V CA 1.518 63.770 62.300 -0.079 0.000 1.040 523 V CB -0.911 30.901 31.823 -0.019 0.000 0.671 523 V HN 0.385 nan 8.190 nan 0.000 0.455 524 E N 0.046 120.192 120.200 -0.089 0.000 2.216 524 E HA -0.066 4.285 4.350 0.001 0.000 0.192 524 E C 2.038 178.496 176.600 -0.236 0.000 0.988 524 E CA 0.764 57.111 56.400 -0.087 0.000 0.834 524 E CB -0.119 29.560 29.700 -0.036 0.000 0.772 524 E HN 0.390 nan 8.360 nan 0.000 0.479 525 L N -0.086 120.894 121.223 -0.406 0.000 2.127 525 L HA 0.068 4.408 4.340 0.001 0.000 0.203 525 L C 2.308 178.946 176.870 -0.388 0.000 1.080 525 L CA 1.634 55.983 54.840 -0.818 0.000 0.768 525 L CB -0.959 40.706 42.059 -0.656 0.000 0.924 525 L HN 0.140 nan 8.230 nan 0.000 0.444 526 G N -1.177 107.572 108.800 -0.084 0.000 2.394 526 G HA2 -0.145 3.816 3.960 0.001 0.000 0.215 526 G HA3 -0.145 3.816 3.960 0.001 0.000 0.215 526 G C 1.719 176.681 174.900 0.103 0.000 1.165 526 G CA 0.719 45.921 45.100 0.170 0.000 0.784 526 G HN 0.440 nan 8.290 nan 0.000 0.535 527 A N 1.785 124.621 122.820 0.027 0.000 1.883 527 A HA 0.008 4.329 4.320 0.001 0.000 0.217 527 A C 0.780 178.347 177.584 -0.028 0.000 1.186 527 A CA 2.126 54.188 52.037 0.042 0.000 0.624 527 A CB -1.233 17.791 19.000 0.041 0.000 0.822 527 A HN 0.388 nan 8.150 nan 0.000 0.444 528 P HA -0.091 nan 4.420 nan 0.000 0.217 528 P C 1.016 178.183 177.300 -0.222 0.000 1.150 528 P CA 0.872 63.863 63.100 -0.183 0.000 0.832 528 P CB -0.186 31.371 31.700 -0.238 0.000 0.787 529 F N -0.233 119.555 119.950 -0.270 0.000 2.134 529 F HA -0.118 4.409 4.527 0.001 0.000 0.299 529 F C 2.735 178.173 175.800 -0.603 0.000 1.097 529 F CA 1.395 59.024 58.000 -0.618 0.000 1.264 529 F CB -1.539 36.636 39.000 -1.375 0.000 1.001 529 F HN -0.057 nan 8.300 nan 0.000 0.479 530 S N 0.348 115.932 115.700 -0.192 0.000 2.348 530 S HA -0.184 4.287 4.470 0.001 0.000 0.221 530 S C 2.213 176.876 174.600 0.105 0.000 1.033 530 S CA 1.287 59.549 58.200 0.103 0.000 1.010 530 S CB -0.730 62.650 63.200 0.300 0.000 0.891 530 S HN 0.300 nan 8.310 nan 0.000 0.442 531 L N 1.757 123.030 121.223 0.084 0.000 2.021 531 L HA -0.119 4.222 4.340 0.001 0.000 0.215 531 L C 2.207 179.175 176.870 0.164 0.000 1.074 531 L CA 2.314 57.219 54.840 0.108 0.000 0.760 531 L CB -0.832 41.274 42.059 0.079 0.000 0.889 531 L HN 0.179 nan 8.230 nan 0.000 0.433 532 K N 0.085 120.553 120.400 0.114 0.000 2.057 532 K HA -0.011 4.310 4.320 0.001 0.000 0.207 532 K C 2.016 178.664 176.600 0.080 0.000 1.049 532 K CA 1.534 57.885 56.287 0.108 0.000 0.931 532 K CB -1.096 31.408 32.500 0.006 0.000 0.714 532 K HN 0.508 nan 8.250 nan 0.000 0.440 533 G N -0.291 108.519 108.800 0.017 0.000 2.448 533 G HA2 -0.119 3.842 3.960 0.001 0.000 0.218 533 G HA3 -0.119 3.842 3.960 0.001 0.000 0.218 533 G C 1.409 176.333 174.900 0.039 0.000 1.135 533 G CA 0.696 45.769 45.100 -0.045 0.000 0.784 533 G HN 0.235 nan 8.290 nan 0.000 0.543 534 L N -0.332 120.958 121.223 0.112 0.000 2.185 534 L HA 0.168 4.508 4.340 0.001 0.000 0.198 534 L C 2.807 179.784 176.870 0.179 0.000 1.079 534 L CA 0.379 55.296 54.840 0.128 0.000 0.780 534 L CB -0.240 41.887 42.059 0.112 0.000 0.955 534 L HN 0.038 nan 8.230 nan 0.000 0.462 535 M N -0.212 119.524 119.600 0.226 0.000 2.419 535 M HA 0.058 4.539 4.480 0.001 0.000 0.264 535 M C 2.138 178.758 176.300 0.534 0.000 1.082 535 M CA 1.078 56.547 55.300 0.281 0.000 1.119 535 M CB -1.493 31.107 32.600 0.000 0.000 1.398 535 M HN 0.275 nan 8.290 nan 0.000 0.453 536 G N 0.605 109.690 108.800 0.475 0.000 2.679 536 G HA2 -0.128 3.833 3.960 0.001 0.000 0.212 536 G HA3 -0.128 3.833 3.960 0.001 0.000 0.212 536 G C 0.813 175.896 174.900 0.305 0.000 1.137 536 G CA -0.158 45.158 45.100 0.360 0.000 0.787 536 G HN 0.434 nan 8.290 nan 0.000 0.534 537 N N 1.112 119.968 118.700 0.260 0.000 2.454 537 N HA 0.033 4.773 4.740 0.001 0.000 0.254 537 N C -1.076 174.519 175.510 0.142 0.000 1.228 537 N CA -1.155 51.993 53.050 0.164 0.000 0.900 537 N CB 1.950 40.532 38.487 0.158 0.000 1.089 537 N HN -0.063 nan 8.380 nan 0.000 0.449 538 P HA -0.149 nan 4.420 nan 0.000 0.219 538 P C 1.465 178.532 177.300 -0.389 0.000 1.146 538 P CA 1.230 64.156 63.100 -0.289 0.000 0.808 538 P CB -0.174 31.201 31.700 -0.541 0.000 0.779 539 I N -3.392 117.116 120.570 -0.104 0.000 2.916 539 I HA -0.086 4.085 4.170 0.001 0.000 0.267 539 I C 1.530 177.945 176.117 0.496 0.000 1.263 539 I CA 1.254 62.722 61.300 0.280 0.000 1.471 539 I CB -1.127 37.215 38.000 0.570 0.000 1.089 539 I HN -0.172 nan 8.210 nan 0.000 0.468 540 C N 1.263 120.726 119.300 0.271 0.000 2.696 540 C HA 0.216 4.677 4.460 0.001 0.000 0.264 540 C C 1.706 176.727 174.990 0.053 0.000 1.288 540 C CA 0.195 59.325 59.018 0.187 0.000 1.717 540 C CB -1.738 26.166 27.740 0.274 0.000 1.893 540 C HN 0.705 nan 8.230 nan 0.000 0.577 541 S N 1.712 117.272 115.700 -0.233 0.000 2.592 541 S HA 0.234 4.705 4.470 0.001 0.000 0.271 541 S C -1.666 172.877 174.600 -0.095 0.000 1.326 541 S CA -0.649 57.154 58.200 -0.662 0.000 1.024 541 S CB 0.796 63.614 63.200 -0.636 0.000 0.921 541 S HN 0.041 nan 8.310 nan 0.000 0.527 542 P HA -0.144 nan 4.420 nan 0.000 0.217 542 P C 1.419 178.653 177.300 -0.110 0.000 1.151 542 P CA 1.268 64.064 63.100 -0.507 0.000 0.849 542 P CB 0.031 31.329 31.700 -0.671 0.000 0.787 543 Q N -2.621 117.154 119.800 -0.042 0.000 2.378 543 Q HA -0.061 4.279 4.340 0.001 0.000 0.205 543 Q C 1.609 177.577 176.000 -0.054 0.000 0.954 543 Q CA 1.183 56.965 55.803 -0.035 0.000 0.901 543 Q CB -0.354 28.359 28.738 -0.041 0.000 0.981 543 Q HN 0.457 nan 8.270 nan 0.000 0.483 544 Y N -1.900 118.397 120.300 -0.004 0.000 2.500 544 Y HA 0.037 4.588 4.550 0.001 0.000 0.284 544 Y C 1.001 176.962 175.900 0.101 0.000 1.118 544 Y CA -0.317 57.784 58.100 0.002 0.000 1.241 544 Y CB 0.249 38.752 38.460 0.071 0.000 1.171 544 Y HN 0.167 nan 8.280 nan 0.000 0.540 545 W N 4.229 125.675 121.300 0.243 0.000 1.539 545 W HA 0.226 4.887 4.660 0.001 0.000 0.502 545 W C -0.911 175.703 176.519 0.159 0.000 0.689 545 W CA 0.550 58.105 57.345 0.349 0.000 2.088 545 W CB -0.680 29.089 29.460 0.515 0.000 1.686 545 W HN -0.010 nan 8.180 nan 0.000 0.211 546 K N 3.602 123.792 120.400 -0.350 0.000 2.527 546 K HA 0.178 4.499 4.320 0.001 0.000 0.260 546 K C -1.708 174.400 176.600 -0.820 0.000 0.937 546 K CA -1.475 54.523 56.287 -0.482 0.000 0.826 546 K CB 2.593 34.945 32.500 -0.246 0.000 1.359 546 K HN -0.186 nan 8.250 nan 0.000 0.434 547 P HA -0.234 nan 4.420 nan 0.000 0.218 547 P C 1.077 178.251 177.300 -0.210 0.000 1.148 547 P CA 1.522 64.321 63.100 -0.502 0.000 0.822 547 P CB 0.151 31.790 31.700 -0.103 0.000 0.784 548 S N -0.933 114.647 115.700 -0.199 0.000 2.399 548 S HA -0.130 4.341 4.470 0.001 0.000 0.231 548 S C 1.925 176.404 174.600 -0.202 0.000 1.022 548 S CA 1.816 59.944 58.200 -0.120 0.000 0.983 548 S CB -2.066 61.069 63.200 -0.107 0.000 0.803 548 S HN 0.129 nan 8.310 nan 0.000 0.480 549 T N 1.490 115.783 114.554 -0.435 0.000 2.803 549 T HA -0.006 4.345 4.350 0.001 0.000 0.269 549 T C 0.612 174.925 174.700 -0.646 0.000 1.052 549 T CA 1.300 62.994 62.100 -0.676 0.000 1.136 549 T CB -0.506 67.710 68.868 -1.086 0.000 0.864 549 T HN 0.623 nan 8.240 nan 0.000 0.467 550 F N 0.153 120.080 119.950 -0.039 0.000 2.708 550 F HA 0.490 5.018 4.527 0.001 0.000 0.300 550 F C 1.594 177.493 175.800 0.165 0.000 1.118 550 F CA -0.461 57.582 58.000 0.072 0.000 1.307 550 F CB 0.195 39.239 39.000 0.072 0.000 0.986 550 F HN 0.195 nan 8.300 nan 0.000 0.522 551 G N 0.229 109.220 108.800 0.317 0.000 2.136 551 G HA2 0.120 4.081 3.960 0.001 0.000 0.242 551 G HA3 0.120 4.081 3.960 0.001 0.000 0.242 551 G C 0.545 175.654 174.900 0.347 0.000 0.989 551 G CA -0.049 45.314 45.100 0.439 0.000 0.682 551 G HN 1.209 nan 8.290 nan 0.000 0.522 552 G N -1.407 107.527 108.800 0.223 0.000 2.373 552 G HA2 0.232 4.193 3.960 0.001 0.000 0.634 552 G HA3 0.232 4.193 3.960 0.001 0.000 0.634 552 G C 0.314 175.309 174.900 0.158 0.000 1.267 552 G CA 0.485 45.677 45.100 0.153 0.000 1.008 552 G HN 0.466 nan 8.290 nan 0.000 0.497 553 E N -0.615 119.659 120.200 0.124 0.000 2.204 553 E HA -0.047 4.304 4.350 0.001 0.000 0.194 553 E C 2.763 179.447 176.600 0.140 0.000 0.989 553 E CA 1.381 57.876 56.400 0.159 0.000 0.824 553 E CB -0.061 29.701 29.700 0.103 0.000 0.756 553 E HN 0.363 nan 8.360 nan 0.000 0.477 554 V N 0.846 120.814 119.914 0.090 0.000 2.358 554 V HA -0.162 3.958 4.120 0.001 0.000 0.246 554 V C 2.421 178.576 176.094 0.102 0.000 1.047 554 V CA 1.990 64.327 62.300 0.061 0.000 1.035 554 V CB -0.926 30.901 31.823 0.008 0.000 0.658 554 V HN 0.312 nan 8.190 nan 0.000 0.452 555 G N -0.981 107.916 108.800 0.161 0.000 2.402 555 G HA2 -0.271 3.690 3.960 0.001 0.000 0.216 555 G HA3 -0.271 3.690 3.960 0.001 0.000 0.216 555 G C 1.548 176.580 174.900 0.221 0.000 1.162 555 G CA 0.697 45.926 45.100 0.214 0.000 0.777 555 G HN 0.401 nan 8.290 nan 0.000 0.539 556 F N 2.072 122.041 119.950 0.032 0.000 2.171 556 F HA -0.069 4.459 4.527 0.001 0.000 0.300 556 F C 2.830 178.554 175.800 -0.127 0.000 1.090 556 F CA 1.540 59.459 58.000 -0.135 0.000 1.293 556 F CB -0.599 38.357 39.000 -0.073 0.000 1.013 556 F HN 0.218 nan 8.300 nan 0.000 0.486 557 K N 0.722 121.146 120.400 0.041 0.000 2.057 557 K HA -0.147 4.174 4.320 0.001 0.000 0.207 557 K C 2.273 178.858 176.600 -0.025 0.000 1.049 557 K CA 1.539 57.801 56.287 -0.041 0.000 0.931 557 K CB -1.081 31.418 32.500 -0.001 0.000 0.714 557 K HN 0.502 nan 8.250 nan 0.000 0.440 558 I N 0.557 121.139 120.570 0.020 0.000 2.151 558 I HA -0.258 3.913 4.170 0.001 0.000 0.243 558 I C 2.555 178.699 176.117 0.045 0.000 1.080 558 I CA 2.154 63.476 61.300 0.038 0.000 1.339 558 I CB -0.403 37.637 38.000 0.068 0.000 1.039 558 I HN 0.227 nan 8.210 nan 0.000 0.409 559 I N 0.787 121.374 120.570 0.029 0.000 2.118 559 I HA -0.337 3.834 4.170 0.001 0.000 0.241 559 I C 1.456 177.633 176.117 0.100 0.000 1.070 559 I CA 2.027 63.373 61.300 0.077 0.000 1.327 559 I CB -0.557 37.456 38.000 0.021 0.000 1.034 559 I HN 0.301 nan 8.210 nan 0.000 0.405 560 N N -0.715 117.978 118.700 -0.011 0.000 2.434 560 N HA -0.016 4.725 4.740 0.001 0.000 0.196 560 N C 0.747 176.262 175.510 0.008 0.000 1.183 560 N CA 0.344 53.391 53.050 -0.005 0.000 0.849 560 N CB 0.340 38.724 38.487 -0.172 0.000 0.992 560 N HN 0.204 nan 8.380 nan 0.000 0.460 561 T N -0.931 113.635 114.554 0.021 0.000 3.058 561 T HA 0.284 4.634 4.350 0.001 0.000 0.278 561 T C 0.445 175.161 174.700 0.027 0.000 0.974 561 T CA -0.372 61.737 62.100 0.015 0.000 0.893 561 T CB 0.405 69.272 68.868 -0.002 0.000 1.138 561 T HN 0.195 nan 8.240 nan 0.000 0.529 562 A N 2.270 125.125 122.820 0.058 0.000 2.477 562 A HA 0.625 4.946 4.320 0.001 0.000 0.246 562 A C 0.587 178.197 177.584 0.043 0.000 1.078 562 A CA -0.178 51.897 52.037 0.062 0.000 0.770 562 A CB 0.073 19.146 19.000 0.122 0.000 1.011 562 A HN 0.463 nan 8.150 nan 0.000 0.494 563 S N 1.381 117.080 115.700 -0.002 0.000 2.607 563 S HA 0.462 4.933 4.470 0.001 0.000 0.273 563 S C 0.468 175.006 174.600 -0.103 0.000 1.148 563 S CA -0.187 57.986 58.200 -0.045 0.000 0.833 563 S CB 0.667 63.825 63.200 -0.071 0.000 1.130 563 S HN 1.051 nan 8.310 nan 0.000 0.470 564 I N 1.211 121.666 120.570 -0.192 0.000 2.335 564 I HA -0.105 4.066 4.170 0.001 0.000 0.251 564 I C 2.434 178.383 176.117 -0.281 0.000 1.129 564 I CA 2.028 63.153 61.300 -0.292 0.000 1.402 564 I CB -0.531 37.050 38.000 -0.698 0.000 1.069 564 I HN 0.921 nan 8.210 nan 0.000 0.424 565 Q N 0.437 120.066 119.800 -0.284 0.000 2.046 565 Q HA -0.173 4.168 4.340 0.001 0.000 0.200 565 Q C 2.415 178.309 176.000 -0.175 0.000 0.975 565 Q CA 2.469 58.114 55.803 -0.264 0.000 0.836 565 Q CB -0.512 28.068 28.738 -0.263 0.000 0.896 565 Q HN 0.668 nan 8.270 nan 0.000 0.428 566 S N -0.432 115.188 115.700 -0.132 0.000 2.402 566 S HA -0.130 4.341 4.470 0.001 0.000 0.229 566 S C 1.895 176.425 174.600 -0.118 0.000 1.021 566 S CA 0.974 59.115 58.200 -0.099 0.000 0.974 566 S CB -0.583 62.580 63.200 -0.063 0.000 0.800 566 S HN 0.413 nan 8.310 nan 0.000 0.484 567 L N 0.815 121.949 121.223 -0.148 0.000 2.012 567 L HA 0.061 4.402 4.340 0.001 0.000 0.210 567 L C 2.151 178.893 176.870 -0.214 0.000 1.073 567 L CA 1.604 56.314 54.840 -0.216 0.000 0.748 567 L CB -0.588 41.292 42.059 -0.298 0.000 0.891 567 L HN 0.256 nan 8.230 nan 0.000 0.431 568 I N -1.370 119.088 120.570 -0.185 0.000 2.286 568 I HA -0.249 3.922 4.170 0.001 0.000 0.245 568 I C 2.691 178.726 176.117 -0.136 0.000 1.104 568 I CA 1.201 62.401 61.300 -0.166 0.000 1.397 568 I CB -0.874 37.031 38.000 -0.158 0.000 1.072 568 I HN 0.453 nan 8.210 nan 0.000 0.417 569 c N 1.066 119.592 118.600 -0.123 0.000 2.413 569 c HA -0.174 4.397 4.570 0.001 0.000 0.276 569 c C 2.643 176.681 174.090 -0.086 0.000 1.248 569 c CA 1.253 57.528 56.329 -0.091 0.000 1.742 569 c CB -1.249 41.215 42.510 -0.076 0.000 2.017 569 c HN 0.520 nan 8.230 nan 0.000 0.481 570 N N 0.800 119.441 118.700 -0.097 0.000 2.446 570 N HA 0.016 4.757 4.740 0.001 0.000 0.179 570 N C 0.910 176.358 175.510 -0.103 0.000 1.054 570 N CA 0.791 53.788 53.050 -0.088 0.000 0.905 570 N CB -0.338 38.101 38.487 -0.080 0.000 0.973 570 N HN 0.670 nan 8.380 nan 0.000 0.448 571 N N -0.454 118.169 118.700 -0.128 0.000 2.143 571 N HA 0.102 4.843 4.740 0.001 0.000 0.222 571 N C -0.680 174.738 175.510 -0.153 0.000 1.264 571 N CA 0.129 53.092 53.050 -0.146 0.000 0.897 571 N CB 2.066 40.447 38.487 -0.176 0.000 1.092 571 N HN -0.120 nan 8.380 nan 0.000 0.516 572 V N 1.713 121.547 119.914 -0.133 0.000 2.487 572 V HA 0.229 4.349 4.120 0.001 0.000 0.298 572 V C 0.412 176.450 176.094 -0.092 0.000 1.028 572 V CA -1.170 61.057 62.300 -0.122 0.000 0.860 572 V CB 2.585 34.339 31.823 -0.116 0.000 0.991 572 V HN -0.025 nan 8.190 nan 0.000 0.427 573 K N 2.886 123.232 120.400 -0.088 0.000 2.491 573 K HA 0.253 4.574 4.320 0.001 0.000 0.279 573 K C 1.209 177.783 176.600 -0.043 0.000 1.026 573 K CA 1.353 57.601 56.287 -0.065 0.000 1.070 573 K CB -0.031 32.432 32.500 -0.061 0.000 0.887 573 K HN 1.216 nan 8.250 nan 0.000 0.481 574 G N 2.972 111.751 108.800 -0.036 0.000 2.176 574 G HA2 -0.329 3.632 3.960 0.001 0.000 0.253 574 G HA3 -0.329 3.632 3.960 0.001 0.000 0.253 574 G C 0.353 175.243 174.900 -0.018 0.000 0.979 574 G CA -0.163 44.924 45.100 -0.021 0.000 0.641 574 G HN 1.157 nan 8.290 nan 0.000 0.530 575 c N 1.027 119.609 118.600 -0.031 0.000 2.977 575 c HA -0.071 4.500 4.570 0.001 0.000 0.252 575 c C -0.259 173.827 174.090 -0.007 0.000 1.310 575 c CA -0.127 56.184 56.329 -0.031 0.000 2.393 575 c CB -1.704 40.789 42.510 -0.027 0.000 1.512 575 c HN 0.774 nan 8.230 nan 0.000 0.453 576 P HA 0.234 nan 4.420 nan 0.000 0.272 576 P C -0.119 177.211 177.300 0.049 0.000 1.223 576 P CA -0.134 62.986 63.100 0.034 0.000 0.784 576 P CB 0.385 32.097 31.700 0.020 0.000 0.923 577 F N 1.583 121.513 119.950 -0.033 0.000 2.529 577 F HA 0.326 4.854 4.527 0.001 0.000 0.365 577 F C 0.434 176.211 175.800 -0.039 0.000 1.102 577 F CA 1.086 59.063 58.000 -0.038 0.000 1.271 577 F CB 0.606 39.588 39.000 -0.031 0.000 1.120 577 F HN 0.269 nan 8.300 nan 0.000 0.579 578 T N 3.691 117.700 114.554 -0.908 0.000 2.864 578 T HA 0.687 5.038 4.350 0.001 0.000 0.299 578 T C -1.126 173.019 174.700 -0.925 0.000 1.166 578 T CA 0.033 61.730 62.100 -0.672 0.000 1.007 578 T CB 1.177 69.848 68.868 -0.327 0.000 1.219 578 T HN 1.038 nan 8.240 nan 0.000 0.506 579 S N 0.890 116.277 115.700 -0.522 0.000 2.655 579 S HA 0.551 5.022 4.470 0.001 0.000 0.266 579 S C -0.853 173.573 174.600 -0.290 0.000 1.149 579 S CA -0.619 57.295 58.200 -0.477 0.000 0.818 579 S CB 0.286 63.309 63.200 -0.296 0.000 1.130 579 S HN 0.398 nan 8.310 nan 0.000 0.476 580 F N 1.992 121.834 119.950 -0.179 0.000 2.765 580 F HA 0.351 4.879 4.527 0.001 0.000 0.302 580 F C 0.899 176.416 175.800 -0.473 0.000 1.111 580 F CA -0.271 57.579 58.000 -0.251 0.000 1.359 580 F CB -0.681 38.140 39.000 -0.298 0.000 1.097 580 F HN 0.792 nan 8.300 nan 0.000 0.577 581 N N -0.856 117.750 118.700 -0.156 0.000 2.240 581 N HA 0.497 5.238 4.740 0.001 0.000 0.302 581 N C -0.524 175.006 175.510 0.033 0.000 1.106 581 N CA -0.885 52.109 53.050 -0.092 0.000 0.778 581 N CB 2.385 40.852 38.487 -0.034 0.000 1.431 581 N HN -0.125 nan 8.380 nan 0.000 0.479 582 V N 0.000 119.943 119.914 0.048 0.000 2.409 582 V HA 0.000 4.121 4.120 0.001 0.000 0.244 582 V CA 0.000 62.342 62.300 0.071 0.000 1.235 582 V CB 0.000 31.858 31.823 0.059 0.000 1.184 582 V HN 0.000 nan 8.190 nan 0.000 0.556