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 2xgs_1_B DATA FIRST_RESID 90 DATA SEQUENCE HPGIALWLGH ALEDAGQAEA AAAAYTRAHQ LLPEEPYITA QLLNWRRRLC DATA SEQUENCE DWRALDVLSA QVRAAVAQGV GAVEPFAFLS EDASAAEQLA CARTRAQAIA DATA SEQUENCE ASVRPLAPTR VRSKGPLRVG FVSNGFGAHP TGLLTVALFE ALQRRQPDLQ DATA SEQUENCE MHLFATSGDD GSTLRTRLAQ ASTLHDVTAL GHLATAKHIR HHGIDLLFDL DATA SEQUENCE RGWGGGGRPE VFALRPAPVQ VNWLAYPGTS GAPWMDYVLG DAFALPPALE DATA SEQUENCE PFYSEHVLRL QGAFQPSDTS RVVAEPPSRT QCGLPEQGVV LCCFNNSYKL DATA SEQUENCE NPQSMARMLA VLREVPDSVL WLLSGPGEAD ARLRAFAHAQ GVDAQRLVFM DATA SEQUENCE PKLPHPQYLA RYRHADLFLD THPYNAHTTA SDALWTGCPV LTTPGETFAA DATA SEQUENCE RVAGSLNHHL GLDEMNVADD AAFVAKAVAL ASDPAALTAL HARVDVLRRA DATA SEQUENCE SGVFHMDGFA DDFGALLQAL ARRHGWLGI 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 90 H HA 0.000 nan 4.556 nan 0.000 0.296 90 H C 0.000 175.289 175.328 -0.064 0.000 0.993 90 H CA 0.000 56.018 56.048 -0.051 0.000 1.023 90 H CB 0.000 29.730 29.762 -0.053 0.000 1.292 91 P HA 0.190 nan 4.420 nan 0.000 0.218 91 P C 1.633 178.673 177.300 -0.434 0.000 1.140 91 P CA 1.223 64.106 63.100 -0.362 0.000 0.883 91 P CB 0.354 31.900 31.700 -0.256 0.000 0.828 92 G N 0.862 109.251 108.800 -0.685 0.000 2.547 92 G HA2 -0.289 3.670 3.960 -0.001 0.000 0.221 92 G HA3 -0.289 3.670 3.960 -0.001 0.000 0.221 92 G C 1.560 176.087 174.900 -0.623 0.000 1.140 92 G CA 0.936 45.614 45.100 -0.705 0.000 0.760 92 G HN 0.228 nan 8.290 nan 0.000 0.583 93 I N 1.021 121.398 120.570 -0.322 0.000 2.252 93 I HA -0.107 4.062 4.170 -0.001 0.000 0.245 93 I C 3.287 179.410 176.117 0.009 0.000 1.102 93 I CA 0.863 62.190 61.300 0.045 0.000 1.385 93 I CB -0.202 37.970 38.000 0.287 0.000 1.064 93 I HN 0.262 nan 8.210 nan 0.000 0.414 94 A N 0.709 123.486 122.820 -0.073 0.000 1.883 94 A HA -0.245 4.074 4.320 -0.001 0.000 0.217 94 A C 2.256 179.788 177.584 -0.087 0.000 1.186 94 A CA 1.769 53.770 52.037 -0.060 0.000 0.624 94 A CB -0.885 18.075 19.000 -0.065 0.000 0.822 94 A HN 0.428 nan 8.150 nan 0.000 0.444 95 L N -1.975 119.186 121.223 -0.103 0.000 2.141 95 L HA -0.087 4.253 4.340 -0.001 0.000 0.209 95 L C 2.104 178.912 176.870 -0.102 0.000 1.094 95 L CA 1.607 56.379 54.840 -0.114 0.000 0.763 95 L CB -0.443 41.549 42.059 -0.112 0.000 0.908 95 L HN 0.527 nan 8.230 nan 0.000 0.437 96 W N -0.631 120.584 121.300 -0.141 0.000 2.418 96 W HA -0.070 4.591 4.660 0.002 0.000 0.292 96 W C 2.374 178.855 176.519 -0.063 0.000 1.213 96 W CA 0.992 58.324 57.345 -0.023 0.000 1.283 96 W CB -0.897 28.602 29.460 0.066 0.000 1.119 96 W HN 0.232 nan 8.180 nan 0.000 0.542 97 L N 0.762 122.057 121.223 0.120 0.000 2.083 97 L HA -0.019 4.320 4.340 -0.001 0.000 0.209 97 L C 2.365 179.136 176.870 -0.163 0.000 1.083 97 L CA 2.556 57.390 54.840 -0.010 0.000 0.752 97 L CB -1.358 40.685 42.059 -0.027 0.000 0.899 97 L HN -0.016 nan 8.230 nan 0.000 0.433 98 G N -1.687 106.900 108.800 -0.355 0.000 2.459 98 G HA2 -0.302 3.657 3.960 -0.001 0.000 0.217 98 G HA3 -0.302 3.657 3.960 -0.001 0.000 0.217 98 G C 1.472 176.052 174.900 -0.534 0.000 1.183 98 G CA 0.952 45.551 45.100 -0.835 0.000 0.776 98 G HN 0.514 nan 8.290 nan 0.000 0.552 99 H N 1.060 120.043 119.070 -0.144 0.000 2.290 99 H HA -0.044 4.512 4.556 -0.002 0.000 0.298 99 H C 2.975 178.236 175.328 -0.111 0.000 1.087 99 H CA 1.404 57.431 56.048 -0.036 0.000 1.291 99 H CB -0.883 28.899 29.762 0.034 0.000 1.369 99 H HN 0.363 nan 8.280 nan 0.000 0.492 100 A N 1.151 123.994 122.820 0.039 0.000 1.859 100 A HA -0.160 4.159 4.320 -0.001 0.000 0.217 100 A C 2.777 180.327 177.584 -0.057 0.000 1.198 100 A CA 1.693 53.718 52.037 -0.021 0.000 0.629 100 A CB -1.132 17.858 19.000 -0.018 0.000 0.830 100 A HN 0.331 nan 8.150 nan 0.000 0.446 101 L N -0.693 120.471 121.223 -0.098 0.000 2.187 101 L HA -0.213 4.126 4.340 -0.001 0.000 0.213 101 L C 2.619 179.425 176.870 -0.106 0.000 1.100 101 L CA 1.611 56.394 54.840 -0.095 0.000 0.765 101 L CB -0.429 41.557 42.059 -0.122 0.000 0.904 101 L HN 0.644 nan 8.230 nan 0.000 0.437 102 E N 0.394 120.472 120.200 -0.203 0.000 2.015 102 E HA -0.237 4.113 4.350 -0.001 0.000 0.191 102 E C 1.350 177.879 176.600 -0.118 0.000 0.991 102 E CA 1.547 57.764 56.400 -0.306 0.000 0.802 102 E CB 0.118 29.522 29.700 -0.493 0.000 0.759 102 E HN 0.420 nan 8.360 nan 0.000 0.447 103 D N -0.162 120.194 120.400 -0.073 0.000 2.371 103 D HA -0.054 4.585 4.640 -0.001 0.000 0.221 103 D C 1.238 177.541 176.300 0.005 0.000 0.986 103 D CA 0.760 54.750 54.000 -0.018 0.000 0.899 103 D CB 0.116 40.902 40.800 -0.023 0.000 0.902 103 D HN 0.236 nan 8.370 nan 0.000 0.530 104 A N -0.133 122.687 122.820 0.001 0.000 2.208 104 A HA 0.388 4.707 4.320 -0.001 0.000 0.209 104 A C 1.808 179.415 177.584 0.039 0.000 1.161 104 A CA 0.912 52.957 52.037 0.014 0.000 0.782 104 A CB -0.124 18.878 19.000 0.002 0.000 0.816 104 A HN 0.216 nan 8.150 nan 0.000 0.477 105 G N -1.037 107.804 108.800 0.068 0.000 2.136 105 G HA2 -0.241 3.718 3.960 -0.001 0.000 0.242 105 G HA3 -0.241 3.718 3.960 -0.001 0.000 0.242 105 G C 0.016 174.980 174.900 0.107 0.000 0.989 105 G CA 0.279 45.441 45.100 0.105 0.000 0.682 105 G HN 0.579 nan 8.290 nan 0.000 0.522 106 Q N -0.034 119.823 119.800 0.095 0.000 2.810 106 Q HA 0.618 4.957 4.340 -0.001 0.000 0.236 106 Q C 1.676 177.774 176.000 0.164 0.000 1.278 106 Q CA 0.112 55.970 55.803 0.091 0.000 1.065 106 Q CB 0.889 29.654 28.738 0.044 0.000 1.364 106 Q HN 0.522 nan 8.270 nan 0.000 0.570 107 A N 2.098 125.057 122.820 0.231 0.000 1.858 107 A HA -0.195 4.124 4.320 -0.001 0.000 0.216 107 A C 1.797 179.619 177.584 0.396 0.000 1.190 107 A CA 1.196 53.487 52.037 0.423 0.000 0.617 107 A CB 0.033 19.190 19.000 0.262 0.000 0.827 107 A HN 0.485 nan 8.150 nan 0.000 0.443 108 E N -0.072 120.240 120.200 0.187 0.000 2.150 108 E HA -0.090 4.260 4.350 -0.001 0.000 0.193 108 E C 2.283 178.961 176.600 0.129 0.000 0.985 108 E CA 1.165 57.643 56.400 0.130 0.000 0.814 108 E CB -0.549 29.183 29.700 0.053 0.000 0.752 108 E HN 0.575 nan 8.360 nan 0.000 0.466 109 A N 1.447 124.326 122.820 0.098 0.000 1.898 109 A HA -0.006 4.313 4.320 -0.001 0.000 0.216 109 A C 2.421 180.007 177.584 0.004 0.000 1.181 109 A CA 1.750 53.812 52.037 0.042 0.000 0.620 109 A CB -0.485 18.526 19.000 0.018 0.000 0.819 109 A HN 0.255 nan 8.150 nan 0.000 0.442 110 A N 0.040 122.872 122.820 0.020 0.000 1.902 110 A HA 0.146 4.465 4.320 -0.001 0.000 0.217 110 A C 2.509 180.022 177.584 -0.117 0.000 1.181 110 A CA 2.109 54.028 52.037 -0.197 0.000 0.623 110 A CB -1.056 17.783 19.000 -0.269 0.000 0.818 110 A HN 1.045 nan 8.150 nan 0.000 0.443 111 A N -0.018 123.021 122.820 0.364 0.000 1.883 111 A HA 0.080 4.399 4.320 -0.001 0.000 0.217 111 A C 2.528 180.245 177.584 0.222 0.000 1.186 111 A CA 2.393 54.725 52.037 0.491 0.000 0.624 111 A CB -1.123 18.120 19.000 0.405 0.000 0.822 111 A HN 1.142 nan 8.150 nan 0.000 0.444 112 A N -0.407 122.481 122.820 0.112 0.000 1.933 112 A HA 0.172 4.491 4.320 -0.001 0.000 0.218 112 A C 2.476 180.072 177.584 0.020 0.000 1.175 112 A CA 2.080 54.155 52.037 0.063 0.000 0.628 112 A CB -0.918 18.105 19.000 0.038 0.000 0.814 112 A HN 1.060 nan 8.150 nan 0.000 0.444 113 A N -1.167 121.612 122.820 -0.068 0.000 1.873 113 A HA -0.031 4.289 4.320 -0.001 0.000 0.215 113 A C 2.044 179.567 177.584 -0.102 0.000 1.186 113 A CA 1.497 53.450 52.037 -0.139 0.000 0.616 113 A CB -0.807 18.030 19.000 -0.271 0.000 0.823 113 A HN 0.553 nan 8.150 nan 0.000 0.442 114 Y N 1.074 121.370 120.300 -0.007 0.000 2.274 114 Y HA -0.140 4.409 4.550 -0.002 0.000 0.290 114 Y C 2.871 178.794 175.900 0.039 0.000 1.145 114 Y CA 1.356 59.446 58.100 -0.017 0.000 1.203 114 Y CB -1.358 37.094 38.460 -0.012 0.000 0.984 114 Y HN 0.273 nan 8.280 nan 0.000 0.533 115 T N -0.214 114.467 114.554 0.210 0.000 2.622 115 T HA -0.244 4.105 4.350 -0.001 0.000 0.266 115 T C 2.033 176.821 174.700 0.147 0.000 1.047 115 T CA 1.783 63.988 62.100 0.176 0.000 1.159 115 T CB -0.292 68.655 68.868 0.132 0.000 0.863 115 T HN 0.231 nan 8.240 nan 0.000 0.422 116 R N 0.627 121.177 120.500 0.083 0.000 2.091 116 R HA -0.037 4.302 4.340 -0.001 0.000 0.238 116 R C 2.656 178.976 176.300 0.033 0.000 1.136 116 R CA 1.352 57.478 56.100 0.043 0.000 0.959 116 R CB -0.448 29.860 30.300 0.015 0.000 0.856 116 R HN 0.407 nan 8.270 nan 0.000 0.437 117 A N -0.687 122.159 122.820 0.043 0.000 2.015 117 A HA -0.196 4.123 4.320 -0.001 0.000 0.219 117 A C 1.793 179.416 177.584 0.064 0.000 1.163 117 A CA 1.653 53.703 52.037 0.022 0.000 0.646 117 A CB -0.532 18.477 19.000 0.016 0.000 0.806 117 A HN 0.461 nan 8.150 nan 0.000 0.448 118 H N -0.823 118.255 119.070 0.014 0.000 2.415 118 H HA 0.065 4.620 4.556 -0.002 0.000 0.297 118 H C 2.062 177.395 175.328 0.008 0.000 1.048 118 H CA 1.683 57.738 56.048 0.012 0.000 1.365 118 H CB -0.133 29.648 29.762 0.031 0.000 1.421 118 H HN 0.512 nan 8.280 nan 0.000 0.533 119 Q N -0.041 119.725 119.800 -0.057 0.000 2.061 119 Q HA -0.137 4.202 4.340 -0.001 0.000 0.204 119 Q C 2.212 178.147 176.000 -0.107 0.000 0.984 119 Q CA 1.808 57.554 55.803 -0.096 0.000 0.846 119 Q CB 0.020 28.749 28.738 -0.015 0.000 0.902 119 Q HN 0.510 nan 8.270 nan 0.000 0.421 120 L N -0.462 120.718 121.223 -0.072 0.000 2.156 120 L HA -0.059 4.280 4.340 -0.001 0.000 0.208 120 L C 0.996 177.819 176.870 -0.079 0.000 1.095 120 L CA 0.461 55.262 54.840 -0.066 0.000 0.770 120 L CB 0.175 42.200 42.059 -0.057 0.000 0.914 120 L HN 0.186 nan 8.230 nan 0.000 0.439 121 L N 0.130 121.296 121.223 -0.094 0.000 2.625 121 L HA 0.250 4.589 4.340 -0.001 0.000 0.255 121 L C -1.798 175.006 176.870 -0.110 0.000 1.493 121 L CA -0.802 53.990 54.840 -0.080 0.000 0.796 121 L CB 0.702 42.733 42.059 -0.047 0.000 1.064 121 L HN -0.092 nan 8.230 nan 0.000 0.516 122 P HA -0.130 nan 4.420 nan 0.000 0.223 122 P C 1.003 178.266 177.300 -0.062 0.000 1.144 122 P CA 1.136 64.040 63.100 -0.326 0.000 0.783 122 P CB 0.433 31.953 31.700 -0.300 0.000 0.771 123 E N -0.659 119.524 120.200 -0.029 0.000 2.385 123 E HA -0.023 4.326 4.350 -0.001 0.000 0.194 123 E C 0.581 177.203 176.600 0.035 0.000 1.013 123 E CA 0.366 56.771 56.400 0.010 0.000 0.866 123 E CB -0.258 29.440 29.700 -0.004 0.000 0.832 123 E HN 0.234 nan 8.360 nan 0.000 0.500 124 E N 3.049 123.276 120.200 0.045 0.000 2.070 124 E HA 0.069 4.418 4.350 -0.001 0.000 0.282 124 E C -2.083 174.577 176.600 0.099 0.000 1.104 124 E CA -2.731 53.711 56.400 0.069 0.000 0.876 124 E CB 0.993 30.733 29.700 0.068 0.000 1.055 124 E HN -0.151 nan 8.360 nan 0.000 0.401 125 P HA 0.010 nan 4.420 nan 0.000 0.258 125 P C -0.220 177.158 177.300 0.130 0.000 1.403 125 P CA 0.244 63.395 63.100 0.086 0.000 0.826 125 P CB -0.138 31.593 31.700 0.053 0.000 1.414 126 Y N -0.104 120.202 120.300 0.010 0.000 2.500 126 Y HA 0.213 4.761 4.550 -0.002 0.000 0.284 126 Y C 1.838 177.748 175.900 0.017 0.000 1.118 126 Y CA 0.537 58.642 58.100 0.009 0.000 1.241 126 Y CB -0.448 38.020 38.460 0.014 0.000 1.171 126 Y HN -0.232 nan 8.280 nan 0.000 0.540 127 I N -0.253 120.256 120.570 -0.103 0.000 2.233 127 I HA -0.247 3.922 4.170 -0.001 0.000 0.243 127 I C 2.103 178.143 176.117 -0.129 0.000 1.093 127 I CA 1.795 62.995 61.300 -0.167 0.000 1.380 127 I CB -0.549 37.445 38.000 -0.011 0.000 1.067 127 I HN 0.112 nan 8.210 nan 0.000 0.413 128 T N 0.941 115.480 114.554 -0.026 0.000 2.699 128 T HA -0.244 4.105 4.350 -0.001 0.000 0.268 128 T C 2.032 176.661 174.700 -0.118 0.000 1.036 128 T CA 1.534 63.575 62.100 -0.099 0.000 1.147 128 T CB -0.469 68.400 68.868 0.002 0.000 0.862 128 T HN 0.474 nan 8.240 nan 0.000 0.446 129 A N 1.759 124.531 122.820 -0.079 0.000 1.877 129 A HA -0.146 4.174 4.320 -0.001 0.000 0.216 129 A C 2.428 179.945 177.584 -0.111 0.000 1.186 129 A CA 1.209 53.215 52.037 -0.052 0.000 0.620 129 A CB -0.571 18.431 19.000 0.003 0.000 0.822 129 A HN 0.414 nan 8.150 nan 0.000 0.443 130 Q N -0.828 118.831 119.800 -0.236 0.000 2.135 130 Q HA -0.195 4.144 4.340 -0.001 0.000 0.204 130 Q C 2.070 177.787 176.000 -0.472 0.000 0.981 130 Q CA 1.527 57.100 55.803 -0.383 0.000 0.856 130 Q CB -0.598 27.792 28.738 -0.580 0.000 0.902 130 Q HN 0.603 nan 8.270 nan 0.000 0.425 131 L N 0.432 121.447 121.223 -0.348 0.000 2.044 131 L HA -0.111 4.228 4.340 -0.001 0.000 0.205 131 L C 2.151 178.980 176.870 -0.069 0.000 1.075 131 L CA 1.191 55.905 54.840 -0.210 0.000 0.747 131 L CB -0.739 41.224 42.059 -0.161 0.000 0.903 131 L HN 0.159 nan 8.230 nan 0.000 0.435 132 L N 0.170 121.347 121.223 -0.077 0.000 2.017 132 L HA -0.235 4.104 4.340 -0.001 0.000 0.208 132 L C 2.339 179.236 176.870 0.044 0.000 1.073 132 L CA 2.105 56.938 54.840 -0.012 0.000 0.745 132 L CB -1.261 40.791 42.059 -0.011 0.000 0.894 132 L HN 0.565 nan 8.230 nan 0.000 0.432 133 N N -0.896 117.832 118.700 0.046 0.000 2.043 133 N HA -0.313 4.426 4.740 -0.001 0.000 0.193 133 N C 2.050 177.684 175.510 0.207 0.000 1.037 133 N CA 2.038 55.153 53.050 0.108 0.000 0.851 133 N CB -0.521 38.028 38.487 0.102 0.000 1.027 133 N HN 0.640 nan 8.380 nan 0.000 0.422 134 W N 1.852 123.116 121.300 -0.059 0.000 2.321 134 W HA -0.167 4.492 4.660 -0.001 0.000 0.306 134 W C 2.288 178.848 176.519 0.067 0.000 1.217 134 W CA 0.751 58.109 57.345 0.022 0.000 1.257 134 W CB -0.076 29.410 29.460 0.042 0.000 1.145 134 W HN 0.206 nan 8.180 nan 0.000 0.509 135 R N -0.214 120.334 120.500 0.080 0.000 2.096 135 R HA -0.135 4.205 4.340 -0.001 0.000 0.235 135 R C 2.230 178.534 176.300 0.007 0.000 1.127 135 R CA 1.085 57.189 56.100 0.007 0.000 0.968 135 R CB -0.432 29.906 30.300 0.064 0.000 0.861 135 R HN 0.229 nan 8.270 nan 0.000 0.440 136 R N 0.101 120.645 120.500 0.074 0.000 2.092 136 R HA -0.044 4.296 4.340 -0.001 0.000 0.231 136 R C 2.231 178.585 176.300 0.089 0.000 1.119 136 R CA 0.979 57.172 56.100 0.155 0.000 0.970 136 R CB -0.101 30.296 30.300 0.161 0.000 0.864 136 R HN 0.186 nan 8.270 nan 0.000 0.440 137 R N 0.406 120.886 120.500 -0.033 0.000 2.148 137 R HA 0.028 4.367 4.340 -0.001 0.000 0.223 137 R C 1.577 177.703 176.300 -0.290 0.000 1.088 137 R CA 0.781 56.806 56.100 -0.124 0.000 0.985 137 R CB 0.065 30.205 30.300 -0.268 0.000 0.880 137 R HN 0.192 nan 8.270 nan 0.000 0.451 138 L N -0.171 120.824 121.223 -0.381 0.000 2.685 138 L HA 0.141 4.480 4.340 -0.001 0.000 0.233 138 L C 0.329 177.023 176.870 -0.294 0.000 1.173 138 L CA -0.413 54.220 54.840 -0.345 0.000 0.961 138 L CB 0.048 41.877 42.059 -0.385 0.000 1.217 138 L HN 0.237 nan 8.230 nan 0.000 0.478 139 C N 0.747 119.904 119.300 -0.238 0.000 4.185 139 C HA -0.198 4.261 4.460 -0.001 0.000 0.297 139 C C 0.896 175.355 174.990 -0.885 0.000 1.463 139 C CA 0.498 59.238 59.018 -0.463 0.000 2.032 139 C CB -2.486 24.968 27.740 -0.476 0.000 1.282 139 C HN 0.628 nan 8.230 nan 0.000 0.770 140 D N -0.525 119.615 120.400 -0.433 0.000 2.339 140 D HA 0.253 4.892 4.640 -0.001 0.000 0.241 140 D C 0.440 176.717 176.300 -0.038 0.000 1.183 140 D CA -0.247 53.581 54.000 -0.287 0.000 0.859 140 D CB 0.320 41.045 40.800 -0.124 0.000 1.067 140 D HN 0.534 nan 8.370 nan 0.000 0.484 141 W N 3.650 124.915 121.300 -0.058 0.000 3.132 141 W HA 0.218 4.877 4.660 -0.001 0.000 0.364 141 W C 0.444 176.950 176.519 -0.023 0.000 1.129 141 W CA -0.684 56.627 57.345 -0.057 0.000 1.815 141 W CB -0.518 28.883 29.460 -0.098 0.000 1.099 141 W HN 0.155 nan 8.180 nan 0.000 0.605 142 R N 1.401 121.997 120.500 0.159 0.000 2.504 142 R HA 0.184 4.523 4.340 -0.001 0.000 0.291 142 R C 1.249 177.610 176.300 0.101 0.000 0.974 142 R CA 0.934 57.103 56.100 0.114 0.000 1.077 142 R CB 0.166 30.513 30.300 0.079 0.000 0.926 142 R HN 0.068 nan 8.270 nan 0.000 0.407 143 A N 2.714 125.589 122.820 0.091 0.000 2.799 143 A HA -0.213 4.106 4.320 -0.001 0.000 0.287 143 A C 1.199 178.817 177.584 0.056 0.000 1.484 143 A CA 0.840 52.920 52.037 0.071 0.000 0.813 143 A CB -1.505 17.540 19.000 0.075 0.000 1.009 143 A HN 0.767 nan 8.150 nan 0.000 0.545 144 L N -0.059 121.202 121.223 0.064 0.000 1.990 144 L HA -0.190 4.149 4.340 -0.001 0.000 0.213 144 L C 2.062 178.932 176.870 0.001 0.000 1.072 144 L CA 2.914 57.774 54.840 0.033 0.000 0.755 144 L CB -0.344 41.719 42.059 0.006 0.000 0.889 144 L HN 0.560 nan 8.230 nan 0.000 0.432 145 D N -1.256 119.142 120.400 -0.003 0.000 2.178 145 D HA -0.124 4.515 4.640 -0.001 0.000 0.202 145 D C 2.311 178.615 176.300 0.007 0.000 0.974 145 D CA 1.378 55.372 54.000 -0.010 0.000 0.841 145 D CB -0.037 40.756 40.800 -0.011 0.000 0.953 145 D HN 0.288 nan 8.370 nan 0.000 0.478 146 V N 1.173 121.100 119.914 0.022 0.000 2.379 146 V HA -0.170 3.949 4.120 -0.001 0.000 0.245 146 V C 2.608 178.723 176.094 0.035 0.000 1.044 146 V CA 0.948 63.268 62.300 0.034 0.000 1.036 146 V CB -0.293 31.560 31.823 0.049 0.000 0.664 146 V HN 0.176 nan 8.190 nan 0.000 0.453 147 L N -0.494 120.743 121.223 0.022 0.000 2.056 147 L HA -0.143 4.196 4.340 -0.001 0.000 0.207 147 L C 2.700 179.578 176.870 0.013 0.000 1.078 147 L CA 1.779 56.619 54.840 0.000 0.000 0.749 147 L CB -0.696 41.341 42.059 -0.037 0.000 0.901 147 L HN 0.341 nan 8.230 nan 0.000 0.433 148 S N -0.289 115.417 115.700 0.010 0.000 2.368 148 S HA -0.192 4.278 4.470 -0.001 0.000 0.225 148 S C 2.151 176.776 174.600 0.042 0.000 1.030 148 S CA 1.284 59.494 58.200 0.017 0.000 0.999 148 S CB -0.111 63.075 63.200 -0.023 0.000 0.844 148 S HN 0.439 nan 8.310 nan 0.000 0.459 149 A N 0.875 123.713 122.820 0.030 0.000 1.883 149 A HA -0.217 4.102 4.320 -0.001 0.000 0.217 149 A C 2.151 179.763 177.584 0.046 0.000 1.186 149 A CA 2.016 54.075 52.037 0.036 0.000 0.624 149 A CB -1.032 17.983 19.000 0.025 0.000 0.822 149 A HN 0.722 nan 8.150 nan 0.000 0.444 150 Q N -0.402 119.426 119.800 0.045 0.000 2.124 150 Q HA -0.129 4.211 4.340 -0.001 0.000 0.202 150 Q C 1.959 177.987 176.000 0.047 0.000 0.977 150 Q CA 1.881 57.712 55.803 0.047 0.000 0.850 150 Q CB -0.192 28.582 28.738 0.060 0.000 0.901 150 Q HN 0.442 nan 8.270 nan 0.000 0.429 151 V N 0.743 120.694 119.914 0.063 0.000 2.307 151 V HA -0.251 3.868 4.120 -0.001 0.000 0.245 151 V C 2.297 178.443 176.094 0.087 0.000 1.045 151 V CA 2.067 64.414 62.300 0.078 0.000 1.024 151 V CB -0.547 31.355 31.823 0.132 0.000 0.651 151 V HN 0.353 nan 8.190 nan 0.000 0.449 152 R N 0.312 120.914 120.500 0.170 0.000 2.105 152 R HA -0.159 4.180 4.340 -0.001 0.000 0.239 152 R C 2.415 178.742 176.300 0.046 0.000 1.135 152 R CA 1.513 57.718 56.100 0.176 0.000 0.967 152 R CB -0.648 29.763 30.300 0.185 0.000 0.861 152 R HN 0.547 nan 8.270 nan 0.000 0.442 153 A N 1.299 124.138 122.820 0.032 0.000 1.902 153 A HA -0.123 4.196 4.320 -0.001 0.000 0.217 153 A C 2.399 179.972 177.584 -0.019 0.000 1.181 153 A CA 1.683 53.724 52.037 0.007 0.000 0.623 153 A CB -0.697 18.311 19.000 0.014 0.000 0.818 153 A HN 0.400 nan 8.150 nan 0.000 0.443 154 A N -0.589 122.216 122.820 -0.024 0.000 1.933 154 A HA -0.007 4.312 4.320 -0.001 0.000 0.218 154 A C 2.220 179.738 177.584 -0.110 0.000 1.175 154 A CA 1.810 53.816 52.037 -0.050 0.000 0.628 154 A CB -0.893 18.087 19.000 -0.033 0.000 0.814 154 A HN 0.399 nan 8.150 nan 0.000 0.444 155 V N -0.213 119.598 119.914 -0.173 0.000 2.343 155 V HA -0.238 3.881 4.120 -0.001 0.000 0.247 155 V C 3.032 179.026 176.094 -0.167 0.000 1.051 155 V CA 1.883 64.017 62.300 -0.276 0.000 1.036 155 V CB -1.197 30.308 31.823 -0.530 0.000 0.654 155 V HN 0.610 nan 8.190 nan 0.000 0.451 156 A N 0.398 123.159 122.820 -0.098 0.000 1.972 156 A HA -0.258 4.061 4.320 -0.001 0.000 0.219 156 A C 2.222 179.774 177.584 -0.053 0.000 1.169 156 A CA 1.964 53.966 52.037 -0.059 0.000 0.635 156 A CB -0.326 18.658 19.000 -0.027 0.000 0.810 156 A HN 0.784 nan 8.150 nan 0.000 0.446 157 Q N -1.450 118.317 119.800 -0.055 0.000 2.394 157 Q HA 0.304 4.643 4.340 -0.001 0.000 0.218 157 Q C 1.105 177.068 176.000 -0.062 0.000 0.907 157 Q CA 0.306 56.081 55.803 -0.047 0.000 0.919 157 Q CB -0.822 27.896 28.738 -0.033 0.000 1.051 157 Q HN 0.538 nan 8.270 nan 0.000 0.538 158 G N 3.090 111.841 108.800 -0.082 0.000 2.805 158 G HA2 -0.188 3.771 3.960 -0.001 0.000 0.342 158 G HA3 -0.188 3.771 3.960 -0.001 0.000 0.342 158 G C 0.591 175.441 174.900 -0.082 0.000 0.140 158 G CA 0.636 45.677 45.100 -0.099 0.000 1.233 158 G HN 1.192 nan 8.290 nan 0.000 0.490 159 V N 0.424 120.296 119.914 -0.070 0.000 3.078 159 V HA -0.211 3.908 4.120 -0.001 0.000 0.168 159 V C 1.136 177.188 176.094 -0.071 0.000 0.466 159 V CA 2.319 64.583 62.300 -0.061 0.000 1.138 159 V CB -1.164 30.637 31.823 -0.037 0.000 1.308 159 V HN 2.435 nan 8.190 nan 0.000 1.101 160 G N -0.789 107.947 108.800 -0.106 0.000 2.457 160 G HA2 0.691 4.650 3.960 -0.001 0.000 0.316 160 G HA3 0.691 4.650 3.960 -0.001 0.000 0.316 160 G C 1.079 175.914 174.900 -0.108 0.000 1.030 160 G CA 0.801 45.829 45.100 -0.120 0.000 1.073 160 G HN 2.183 nan 8.290 nan 0.000 0.430 161 A N 2.425 125.197 122.820 -0.081 0.000 1.293 161 A HA -0.300 4.020 4.320 -0.001 0.000 0.339 161 A C 1.348 178.973 177.584 0.068 0.000 1.901 161 A CA 1.932 53.998 52.037 0.048 0.000 1.093 161 A CB -1.969 17.108 19.000 0.129 0.000 1.471 161 A HN 1.510 nan 8.150 nan 0.000 0.723 162 V N 2.004 121.897 119.914 -0.036 0.000 2.585 162 V HA 0.292 4.411 4.120 -0.001 0.000 0.296 162 V C 0.635 176.665 176.094 -0.106 0.000 1.035 162 V CA 0.118 62.376 62.300 -0.071 0.000 1.084 162 V CB 0.995 32.694 31.823 -0.206 0.000 0.953 162 V HN 0.523 nan 8.190 nan 0.000 0.483 163 E N 6.967 127.157 120.200 -0.018 0.000 2.180 163 E HA 0.194 4.543 4.350 -0.001 0.000 0.283 163 E C -1.619 174.993 176.600 0.020 0.000 1.061 163 E CA -2.051 54.343 56.400 -0.010 0.000 0.861 163 E CB 1.696 31.454 29.700 0.098 0.000 1.056 163 E HN 0.420 nan 8.360 nan 0.000 0.407 164 P HA -0.155 nan 4.420 nan 0.000 0.218 164 P C 1.254 178.743 177.300 0.314 0.000 1.148 164 P CA 0.888 64.000 63.100 0.019 0.000 0.822 164 P CB 0.053 31.582 31.700 -0.285 0.000 0.784 165 F N 0.935 121.050 119.950 0.276 0.000 2.039 165 F HA -0.151 4.376 4.527 -0.000 0.000 0.294 165 F C 2.356 178.248 175.800 0.154 0.000 1.130 165 F CA 1.770 59.967 58.000 0.328 0.000 1.189 165 F CB -0.967 38.231 39.000 0.331 0.000 0.983 165 F HN -0.119 nan 8.300 nan 0.000 0.471 166 A N 0.260 123.210 122.820 0.217 0.000 1.896 166 A HA -0.343 3.977 4.320 -0.001 0.000 0.220 166 A C 2.146 179.749 177.584 0.031 0.000 1.206 166 A CA 2.041 54.124 52.037 0.076 0.000 0.647 166 A CB -1.874 17.213 19.000 0.146 0.000 0.828 166 A HN 0.559 nan 8.150 nan 0.000 0.455 167 F N 0.412 120.321 119.950 -0.068 0.000 2.287 167 F HA -0.152 4.374 4.527 -0.002 0.000 0.301 167 F C 1.785 177.498 175.800 -0.145 0.000 1.069 167 F CA 1.279 59.225 58.000 -0.090 0.000 1.372 167 F CB -0.258 38.694 39.000 -0.079 0.000 1.056 167 F HN 0.169 nan 8.300 nan 0.000 0.523 168 L N -1.030 120.058 121.223 -0.226 0.000 2.275 168 L HA -0.200 4.139 4.340 -0.001 0.000 0.215 168 L C 2.186 178.845 176.870 -0.352 0.000 1.119 168 L CA 1.165 55.752 54.840 -0.422 0.000 0.790 168 L CB -0.717 40.927 42.059 -0.692 0.000 0.919 168 L HN -0.001 nan 8.230 nan 0.000 0.443 169 S N -1.281 114.303 115.700 -0.194 0.000 2.555 169 S HA -0.000 4.469 4.470 -0.001 0.000 0.230 169 S C 0.659 175.158 174.600 -0.169 0.000 0.978 169 S CA 0.398 58.569 58.200 -0.049 0.000 0.934 169 S CB -0.219 63.001 63.200 0.033 0.000 0.766 169 S HN 0.312 nan 8.310 nan 0.000 0.533 170 E N 1.685 121.674 120.200 -0.352 0.000 2.318 170 E HA 0.168 4.517 4.350 -0.001 0.000 0.265 170 E C 0.022 176.392 176.600 -0.383 0.000 1.069 170 E CA -0.488 55.668 56.400 -0.407 0.000 0.893 170 E CB 0.333 29.632 29.700 -0.669 0.000 1.076 170 E HN 0.013 nan 8.360 nan 0.000 0.414 171 D N 0.655 120.888 120.400 -0.277 0.000 2.358 171 D HA 0.023 4.662 4.640 -0.001 0.000 0.241 171 D C 0.086 176.253 176.300 -0.222 0.000 1.094 171 D CA 0.116 53.989 54.000 -0.210 0.000 0.907 171 D CB 0.130 40.856 40.800 -0.124 0.000 0.893 171 D HN 0.366 nan 8.370 nan 0.000 0.528 172 A N 0.563 123.174 122.820 -0.348 0.000 2.466 172 A HA 0.264 4.583 4.320 -0.001 0.000 0.238 172 A C 0.937 178.397 177.584 -0.207 0.000 1.074 172 A CA -0.295 51.577 52.037 -0.276 0.000 0.774 172 A CB 0.442 19.180 19.000 -0.437 0.000 1.015 172 A HN 0.223 nan 8.150 nan 0.000 0.498 173 S N 0.747 116.361 115.700 -0.144 0.000 2.624 173 S HA 0.482 4.951 4.470 -0.001 0.000 0.263 173 S C 1.392 175.871 174.600 -0.203 0.000 1.287 173 S CA -0.138 57.952 58.200 -0.184 0.000 0.990 173 S CB 0.915 63.980 63.200 -0.225 0.000 0.950 173 S HN 1.698 nan 8.310 nan 0.000 0.561 174 A N 1.428 124.082 122.820 -0.276 0.000 1.917 174 A HA -0.007 4.312 4.320 -0.001 0.000 0.219 174 A C 2.439 179.855 177.584 -0.280 0.000 1.182 174 A CA 2.316 54.208 52.037 -0.241 0.000 0.633 174 A CB -1.844 17.053 19.000 -0.171 0.000 0.819 174 A HN 1.389 nan 8.150 nan 0.000 0.448 175 A N -0.193 122.253 122.820 -0.623 0.000 1.865 175 A HA -0.232 4.087 4.320 -0.001 0.000 0.217 175 A C 1.927 179.461 177.584 -0.083 0.000 1.191 175 A CA 1.821 53.663 52.037 -0.326 0.000 0.623 175 A CB -0.674 18.081 19.000 -0.408 0.000 0.826 175 A HN 0.678 nan 8.150 nan 0.000 0.444 176 E N -0.463 119.705 120.200 -0.053 0.000 2.077 176 E HA -0.248 4.101 4.350 -0.001 0.000 0.193 176 E C 2.300 179.001 176.600 0.168 0.000 0.989 176 E CA 1.368 57.820 56.400 0.087 0.000 0.800 176 E CB -0.278 29.553 29.700 0.218 0.000 0.746 176 E HN 0.741 nan 8.360 nan 0.000 0.452 177 Q N 0.428 120.358 119.800 0.217 0.000 2.077 177 Q HA -0.208 4.131 4.340 -0.001 0.000 0.206 177 Q C 2.358 178.379 176.000 0.034 0.000 0.989 177 Q CA 1.207 57.129 55.803 0.198 0.000 0.853 177 Q CB -0.218 28.572 28.738 0.087 0.000 0.907 177 Q HN 0.188 nan 8.270 nan 0.000 0.418 178 L N 0.727 121.946 121.223 -0.007 0.000 2.012 178 L HA -0.161 4.178 4.340 -0.001 0.000 0.210 178 L C 2.178 179.016 176.870 -0.053 0.000 1.073 178 L CA 2.262 57.084 54.840 -0.029 0.000 0.748 178 L CB -1.040 41.034 42.059 0.025 0.000 0.891 178 L HN 0.146 nan 8.230 nan 0.000 0.431 179 A N -1.150 121.638 122.820 -0.054 0.000 1.892 179 A HA -0.328 3.991 4.320 -0.001 0.000 0.218 179 A C 2.564 180.046 177.584 -0.170 0.000 1.188 179 A CA 2.033 54.013 52.037 -0.095 0.000 0.631 179 A CB -1.718 17.227 19.000 -0.092 0.000 0.822 179 A HN 0.710 nan 8.150 nan 0.000 0.447 180 C N -0.939 118.215 119.300 -0.243 0.000 2.425 180 C HA 0.118 4.577 4.460 -0.001 0.000 0.277 180 C C 3.153 177.954 174.990 -0.315 0.000 1.280 180 C CA 1.243 60.044 59.018 -0.363 0.000 1.744 180 C CB -1.332 26.083 27.740 -0.542 0.000 1.989 180 C HN 0.666 nan 8.230 nan 0.000 0.491 181 A N 0.219 122.900 122.820 -0.232 0.000 1.897 181 A HA -0.043 4.276 4.320 -0.001 0.000 0.215 181 A C 2.246 179.724 177.584 -0.178 0.000 1.181 181 A CA 1.289 53.179 52.037 -0.245 0.000 0.620 181 A CB -0.576 18.402 19.000 -0.036 0.000 0.821 181 A HN 0.687 nan 8.150 nan 0.000 0.443 182 R N -0.643 119.781 120.500 -0.126 0.000 2.080 182 R HA -0.098 4.241 4.340 -0.001 0.000 0.236 182 R C 2.340 178.573 176.300 -0.112 0.000 1.137 182 R CA 2.047 58.084 56.100 -0.105 0.000 0.943 182 R CB -0.961 29.287 30.300 -0.086 0.000 0.846 182 R HN 0.515 nan 8.270 nan 0.000 0.431 183 T N 0.494 114.966 114.554 -0.138 0.000 2.624 183 T HA -0.268 4.081 4.350 -0.001 0.000 0.268 183 T C 1.775 176.388 174.700 -0.144 0.000 1.041 183 T CA 1.967 63.987 62.100 -0.134 0.000 1.159 183 T CB -0.279 68.493 68.868 -0.159 0.000 0.863 183 T HN 0.238 nan 8.240 nan 0.000 0.434 184 R N 1.146 121.495 120.500 -0.251 0.000 2.073 184 R HA 0.011 4.350 4.340 -0.001 0.000 0.234 184 R C 2.523 178.766 176.300 -0.094 0.000 1.134 184 R CA 1.598 57.495 56.100 -0.339 0.000 0.952 184 R CB -0.732 29.077 30.300 -0.820 0.000 0.850 184 R HN 0.373 nan 8.270 nan 0.000 0.433 185 A N 0.086 122.924 122.820 0.031 0.000 1.972 185 A HA -0.195 4.124 4.320 -0.001 0.000 0.219 185 A C 2.046 179.772 177.584 0.236 0.000 1.169 185 A CA 1.528 53.736 52.037 0.284 0.000 0.635 185 A CB -0.433 18.543 19.000 -0.041 0.000 0.810 185 A HN 0.525 nan 8.150 nan 0.000 0.446 186 Q N -0.740 119.111 119.800 0.085 0.000 2.119 186 Q HA -0.025 4.314 4.340 -0.001 0.000 0.201 186 Q C 2.391 178.452 176.000 0.101 0.000 0.972 186 Q CA 1.185 57.037 55.803 0.081 0.000 0.847 186 Q CB -0.366 28.381 28.738 0.015 0.000 0.903 186 Q HN 0.680 nan 8.270 nan 0.000 0.433 187 A N 0.583 123.446 122.820 0.073 0.000 1.978 187 A HA -0.184 4.135 4.320 -0.001 0.000 0.220 187 A C 1.960 179.603 177.584 0.098 0.000 1.170 187 A CA 1.207 53.277 52.037 0.056 0.000 0.636 187 A CB -0.463 18.544 19.000 0.012 0.000 0.810 187 A HN 0.310 nan 8.150 nan 0.000 0.448 188 I N -0.770 119.915 120.570 0.192 0.000 2.277 188 I HA -0.132 4.037 4.170 -0.001 0.000 0.243 188 I C 2.834 179.037 176.117 0.144 0.000 1.094 188 I CA 0.933 62.342 61.300 0.180 0.000 1.393 188 I CB -0.176 37.997 38.000 0.287 0.000 1.078 188 I HN 0.295 nan 8.210 nan 0.000 0.417 189 A N 0.490 123.489 122.820 0.298 0.000 2.067 189 A HA -0.064 4.256 4.320 -0.001 0.000 0.219 189 A C 2.417 180.075 177.584 0.123 0.000 1.158 189 A CA 1.562 53.754 52.037 0.258 0.000 0.661 189 A CB -0.655 18.586 19.000 0.401 0.000 0.801 189 A HN 0.422 nan 8.150 nan 0.000 0.452 190 A N 0.127 123.005 122.820 0.097 0.000 1.968 190 A HA 0.050 4.369 4.320 -0.001 0.000 0.217 190 A C 1.946 179.549 177.584 0.032 0.000 1.169 190 A CA 1.601 53.670 52.037 0.054 0.000 0.638 190 A CB -0.501 18.525 19.000 0.042 0.000 0.812 190 A HN 0.973 nan 8.150 nan 0.000 0.446 191 S N -1.139 114.577 115.700 0.027 0.000 2.506 191 S HA 0.561 5.030 4.470 -0.001 0.000 0.245 191 S C -0.376 174.218 174.600 -0.010 0.000 1.088 191 S CA -0.409 57.796 58.200 0.009 0.000 1.099 191 S CB -0.020 63.185 63.200 0.010 0.000 0.805 191 S HN 0.289 nan 8.310 nan 0.000 0.461 192 V N 1.017 120.923 119.914 -0.014 0.000 2.882 192 V HA 0.469 4.588 4.120 -0.001 0.000 0.295 192 V C -1.153 174.923 176.094 -0.030 0.000 1.273 192 V CA -0.768 61.507 62.300 -0.042 0.000 0.949 192 V CB 2.372 34.137 31.823 -0.097 0.000 1.071 192 V HN 0.568 nan 8.190 nan 0.000 0.432 193 R N 5.762 126.242 120.500 -0.035 0.000 2.239 193 R HA 0.577 4.916 4.340 -0.001 0.000 0.332 193 R C -2.541 173.734 176.300 -0.041 0.000 0.988 193 R CA -1.561 54.523 56.100 -0.027 0.000 0.859 193 R CB 1.585 31.874 30.300 -0.019 0.000 1.148 193 R HN 0.453 nan 8.270 nan 0.000 0.482 194 P HA -0.072 nan 4.420 nan 0.000 0.266 194 P C -0.345 176.927 177.300 -0.046 0.000 1.193 194 P CA 0.083 63.154 63.100 -0.048 0.000 0.770 194 P CB 0.535 32.224 31.700 -0.019 0.000 0.836 195 L N 1.135 122.321 121.223 -0.061 0.000 2.482 195 L HA 0.164 4.503 4.340 -0.001 0.000 0.273 195 L C 1.042 177.890 176.870 -0.038 0.000 1.228 195 L CA -0.705 54.103 54.840 -0.053 0.000 0.827 195 L CB -0.183 41.835 42.059 -0.069 0.000 1.099 195 L HN 0.440 nan 8.230 nan 0.000 0.494 196 A N 3.311 126.113 122.820 -0.031 0.000 2.584 196 A HA 0.166 4.485 4.320 -0.001 0.000 0.239 196 A C -1.926 175.644 177.584 -0.023 0.000 1.043 196 A CA -0.840 51.183 52.037 -0.022 0.000 0.756 196 A CB -0.970 18.018 19.000 -0.020 0.000 0.963 196 A HN 0.493 nan 8.150 nan 0.000 0.511 197 P HA 0.169 nan 4.420 nan 0.000 0.267 197 P C 0.076 177.369 177.300 -0.012 0.000 1.201 197 P CA 0.270 63.364 63.100 -0.010 0.000 0.775 197 P CB 0.666 32.366 31.700 0.000 0.000 0.854 198 T N 1.268 115.815 114.554 -0.012 0.000 2.838 198 T HA 0.532 4.881 4.350 -0.001 0.000 0.292 198 T C -0.466 174.236 174.700 0.003 0.000 1.113 198 T CA -0.685 61.408 62.100 -0.012 0.000 1.008 198 T CB 1.522 70.372 68.868 -0.030 0.000 1.259 198 T HN 0.306 nan 8.240 nan 0.000 0.520 199 R N 0.245 120.751 120.500 0.011 0.000 2.854 199 R HA 0.680 5.019 4.340 -0.001 0.000 0.271 199 R C -0.951 175.366 176.300 0.029 0.000 0.994 199 R CA -0.884 55.235 56.100 0.032 0.000 0.945 199 R CB 1.527 31.856 30.300 0.049 0.000 1.194 199 R HN 0.365 nan 8.270 nan 0.000 0.476 200 V N 3.456 123.397 119.914 0.044 0.000 2.644 200 V HA -0.078 4.041 4.120 -0.001 0.000 0.305 200 V C 0.858 177.013 176.094 0.101 0.000 1.053 200 V CA 0.238 62.566 62.300 0.048 0.000 1.186 200 V CB -0.378 31.488 31.823 0.073 0.000 0.895 200 V HN 0.721 nan 8.190 nan 0.000 0.490 201 R N 3.732 124.293 120.500 0.101 0.000 2.537 201 R HA 0.011 4.351 4.340 -0.001 0.000 0.281 201 R C 1.194 177.663 176.300 0.282 0.000 0.988 201 R CA 0.596 56.791 56.100 0.157 0.000 1.077 201 R CB 0.030 30.420 30.300 0.149 0.000 0.932 201 R HN 0.798 nan 8.270 nan 0.000 0.409 202 S N 1.614 117.422 115.700 0.180 0.000 2.447 202 S HA 0.001 4.470 4.470 -0.001 0.000 0.233 202 S C 0.265 174.909 174.600 0.073 0.000 1.006 202 S CA 0.603 58.884 58.200 0.135 0.000 0.957 202 S CB 0.122 63.355 63.200 0.055 0.000 0.773 202 S HN 0.621 nan 8.310 nan 0.000 0.507 203 K N 0.519 120.997 120.400 0.131 0.000 2.527 203 K HA 0.659 4.978 4.320 -0.001 0.000 0.260 203 K C 0.017 176.743 176.600 0.209 0.000 0.937 203 K CA 0.275 56.602 56.287 0.066 0.000 0.826 203 K CB 1.688 34.192 32.500 0.007 0.000 1.359 203 K HN 0.386 nan 8.250 nan 0.000 0.434 204 G N 2.160 111.105 108.800 0.241 0.000 2.555 204 G HA2 -0.089 3.870 3.960 -0.001 0.000 0.686 204 G HA3 -0.089 3.870 3.960 -0.001 0.000 0.686 204 G C -3.092 172.063 174.900 0.426 0.000 1.275 204 G CA -1.145 44.109 45.100 0.257 0.000 0.871 204 G HN 0.330 nan 8.290 nan 0.000 0.603 205 P HA 0.395 nan 4.420 nan 0.000 0.269 205 P C -0.132 177.231 177.300 0.105 0.000 1.209 205 P CA -0.362 62.880 63.100 0.236 0.000 0.776 205 P CB 0.835 32.627 31.700 0.153 0.000 0.876 206 L N 4.164 125.340 121.223 -0.080 0.000 2.319 206 L HA 0.183 4.522 4.340 -0.001 0.000 0.280 206 L C 0.923 177.757 176.870 -0.060 0.000 1.099 206 L CA 0.102 54.789 54.840 -0.254 0.000 0.828 206 L CB -0.120 41.600 42.059 -0.564 0.000 1.150 206 L HN 0.271 nan 8.230 nan 0.000 0.442 207 R N 4.851 125.337 120.500 -0.024 0.000 2.196 207 R HA 0.487 4.826 4.340 -0.001 0.000 0.340 207 R C -1.169 175.177 176.300 0.076 0.000 1.043 207 R CA -0.659 55.489 56.100 0.081 0.000 0.883 207 R CB 0.680 30.998 30.300 0.029 0.000 1.078 207 R HN 0.334 nan 8.270 nan 0.000 0.462 208 V N 2.067 122.091 119.914 0.183 0.000 2.448 208 V HA 0.629 4.748 4.120 -0.001 0.000 0.295 208 V C 0.489 176.723 176.094 0.233 0.000 1.025 208 V CA -0.772 61.623 62.300 0.158 0.000 0.859 208 V CB 1.883 33.827 31.823 0.202 0.000 0.988 208 V HN 0.952 nan 8.190 nan 0.000 0.431 209 G N 2.952 111.817 108.800 0.108 0.000 2.519 209 G HA2 0.794 4.753 3.960 -0.001 0.000 0.307 209 G HA3 0.794 4.753 3.960 -0.001 0.000 0.307 209 G C -1.577 173.403 174.900 0.134 0.000 1.266 209 G CA -0.510 44.790 45.100 0.334 0.000 0.970 209 G HN 0.429 nan 8.290 nan 0.000 0.481 210 F N 0.698 121.039 119.950 0.652 0.000 2.539 210 F HA 0.469 4.995 4.527 -0.002 0.000 0.318 210 F C -0.016 176.244 175.800 0.766 0.000 1.135 210 F CA -1.031 57.398 58.000 0.715 0.000 0.915 210 F CB 2.693 42.114 39.000 0.701 0.000 1.176 210 F HN 0.211 nan 8.300 nan 0.000 0.440 211 V N 2.485 122.879 119.914 0.801 0.000 2.394 211 V HA 0.708 4.827 4.120 -0.001 0.000 0.282 211 V C -0.257 176.066 176.094 0.382 0.000 1.031 211 V CA -0.235 62.436 62.300 0.618 0.000 0.881 211 V CB 1.446 33.583 31.823 0.524 0.000 0.982 211 V HN 0.815 nan 8.190 nan 0.000 0.451 212 S N 2.871 118.654 115.700 0.138 0.000 2.552 212 S HA 0.308 4.777 4.470 -0.001 0.000 0.272 212 S C 0.309 174.743 174.600 -0.277 0.000 1.150 212 S CA -0.262 57.782 58.200 -0.259 0.000 0.849 212 S CB 1.497 64.240 63.200 -0.762 0.000 1.113 212 S HN 0.953 nan 8.310 nan 0.000 0.458 213 N N 1.347 119.907 118.700 -0.232 0.000 2.336 213 N HA 0.189 4.928 4.740 -0.001 0.000 0.189 213 N C 0.900 176.204 175.510 -0.342 0.000 1.113 213 N CA -0.003 52.926 53.050 -0.201 0.000 0.858 213 N CB 0.184 38.580 38.487 -0.151 0.000 0.970 213 N HN 0.493 nan 8.380 nan 0.000 0.471 214 G N -0.003 108.537 108.800 -0.434 0.000 3.820 214 G HA2 0.195 4.155 3.960 -0.001 0.000 0.293 214 G HA3 0.195 4.155 3.960 -0.001 0.000 0.293 214 G C -0.819 174.039 174.900 -0.069 0.000 1.152 214 G CA -0.480 44.409 45.100 -0.351 0.000 0.921 214 G HN 0.155 nan 8.290 nan 0.000 0.544 215 F N 1.941 121.955 119.950 0.107 0.000 2.462 215 F HA 0.579 5.105 4.527 -0.003 0.000 0.354 215 F C 1.055 176.933 175.800 0.130 0.000 1.192 215 F CA -0.330 57.732 58.000 0.103 0.000 1.173 215 F CB 0.758 39.799 39.000 0.069 0.000 1.402 215 F HN 0.310 nan 8.300 nan 0.000 0.595 216 G N 1.208 110.191 108.800 0.306 0.000 2.403 216 G HA2 0.342 4.301 3.960 -0.001 0.000 0.223 216 G HA3 0.342 4.301 3.960 -0.001 0.000 0.223 216 G C -0.977 173.931 174.900 0.012 0.000 1.287 216 G CA -0.312 44.880 45.100 0.153 0.000 0.982 216 G HN 0.495 nan 8.290 nan 0.000 0.471 217 A N 1.113 123.812 122.820 -0.202 0.000 3.051 217 A HA 0.592 4.911 4.320 -0.001 0.000 0.257 217 A C 0.244 177.500 177.584 -0.546 0.000 1.785 217 A CA 0.385 52.230 52.037 -0.319 0.000 1.420 217 A CB -1.227 17.613 19.000 -0.266 0.000 1.063 217 A HN 0.655 nan 8.150 nan 0.000 0.630 218 H N -0.971 118.065 119.070 -0.056 0.000 3.008 218 H HA 0.229 4.784 4.556 -0.003 0.000 0.354 218 H C -2.210 173.075 175.328 -0.073 0.000 1.252 218 H CA -1.678 54.338 56.048 -0.053 0.000 1.117 218 H CB 1.162 30.899 29.762 -0.042 0.000 1.857 218 H HN 0.020 nan 8.280 nan 0.000 0.547 219 P HA -0.162 nan 4.420 nan 0.000 0.216 219 P C 1.293 178.584 177.300 -0.014 0.000 1.157 219 P CA 2.080 65.193 63.100 0.023 0.000 0.880 219 P CB 0.054 31.791 31.700 0.062 0.000 0.791 220 T N -1.195 113.354 114.554 -0.009 0.000 2.708 220 T HA -0.111 4.239 4.350 -0.001 0.000 0.266 220 T C 1.990 176.697 174.700 0.012 0.000 1.037 220 T CA 1.875 63.943 62.100 -0.053 0.000 1.146 220 T CB -1.268 67.513 68.868 -0.145 0.000 0.865 220 T HN 0.219 nan 8.240 nan 0.000 0.435 221 G N 0.859 109.712 108.800 0.088 0.000 2.421 221 G HA2 -0.066 3.893 3.960 -0.001 0.000 0.217 221 G HA3 -0.066 3.893 3.960 -0.001 0.000 0.217 221 G C 1.457 176.362 174.900 0.009 0.000 1.143 221 G CA 0.188 45.389 45.100 0.169 0.000 0.784 221 G HN 0.326 nan 8.290 nan 0.000 0.541 222 L N 0.400 121.585 121.223 -0.064 0.000 2.093 222 L HA 0.230 4.569 4.340 -0.001 0.000 0.208 222 L C 2.650 179.417 176.870 -0.172 0.000 1.085 222 L CA 1.169 55.918 54.840 -0.152 0.000 0.755 222 L CB -0.559 41.372 42.059 -0.214 0.000 0.904 222 L HN 0.179 nan 8.230 nan 0.000 0.435 223 L N -1.274 119.844 121.223 -0.175 0.000 2.179 223 L HA -0.108 4.231 4.340 -0.001 0.000 0.208 223 L C 2.112 178.763 176.870 -0.365 0.000 1.096 223 L CA 1.468 56.151 54.840 -0.261 0.000 0.779 223 L CB -0.633 41.264 42.059 -0.271 0.000 0.922 223 L HN 0.407 nan 8.230 nan 0.000 0.443 224 T N -4.851 109.503 114.554 -0.332 0.000 3.044 224 T HA 0.005 4.354 4.350 -0.001 0.000 0.250 224 T C 1.681 176.074 174.700 -0.511 0.000 1.081 224 T CA 0.436 62.207 62.100 -0.548 0.000 1.040 224 T CB 0.076 68.641 68.868 -0.505 0.000 0.962 224 T HN 0.056 nan 8.240 nan 0.000 0.506 225 V N 2.194 121.963 119.914 -0.241 0.000 2.261 225 V HA -0.007 4.112 4.120 -0.001 0.000 0.246 225 V C 2.933 178.928 176.094 -0.166 0.000 1.047 225 V CA 2.192 64.424 62.300 -0.114 0.000 1.015 225 V CB -1.223 30.563 31.823 -0.062 0.000 0.642 225 V HN 0.601 nan 8.190 nan 0.000 0.446 226 A N -0.417 122.269 122.820 -0.224 0.000 2.019 226 A HA -0.168 4.151 4.320 -0.001 0.000 0.219 226 A C 2.105 179.548 177.584 -0.236 0.000 1.164 226 A CA 2.061 53.973 52.037 -0.207 0.000 0.644 226 A CB -0.697 18.162 19.000 -0.235 0.000 0.805 226 A HN 0.640 nan 8.150 nan 0.000 0.449 227 L N -1.639 119.350 121.223 -0.389 0.000 2.056 227 L HA -0.028 4.311 4.340 -0.001 0.000 0.207 227 L C 2.065 178.740 176.870 -0.326 0.000 1.078 227 L CA 1.935 56.503 54.840 -0.454 0.000 0.749 227 L CB -0.724 40.885 42.059 -0.750 0.000 0.901 227 L HN 0.303 nan 8.230 nan 0.000 0.433 228 F N 0.531 120.355 119.950 -0.210 0.000 2.186 228 F HA -0.094 4.432 4.527 -0.001 0.000 0.299 228 F C 2.475 178.201 175.800 -0.122 0.000 1.090 228 F CA 1.334 59.225 58.000 -0.182 0.000 1.307 228 F CB -0.886 37.971 39.000 -0.240 0.000 1.019 228 F HN 0.213 nan 8.300 nan 0.000 0.489 229 E N 0.020 120.252 120.200 0.055 0.000 2.110 229 E HA -0.184 4.166 4.350 -0.001 0.000 0.193 229 E C 2.394 178.998 176.600 0.006 0.000 0.988 229 E CA 1.132 57.538 56.400 0.009 0.000 0.804 229 E CB -0.342 29.343 29.700 -0.024 0.000 0.745 229 E HN 0.336 nan 8.360 nan 0.000 0.458 230 A N 0.957 123.769 122.820 -0.013 0.000 1.930 230 A HA -0.122 4.197 4.320 -0.001 0.000 0.217 230 A C 2.159 179.773 177.584 0.050 0.000 1.175 230 A CA 0.907 52.948 52.037 0.007 0.000 0.627 230 A CB -0.495 18.499 19.000 -0.010 0.000 0.815 230 A HN 0.127 nan 8.150 nan 0.000 0.443 231 L N -0.624 120.643 121.223 0.074 0.000 2.093 231 L HA -0.232 4.107 4.340 -0.001 0.000 0.208 231 L C 2.893 179.823 176.870 0.100 0.000 1.085 231 L CA 1.723 56.639 54.840 0.127 0.000 0.755 231 L CB -0.454 41.732 42.059 0.211 0.000 0.904 231 L HN 0.669 nan 8.230 nan 0.000 0.435 232 Q N 0.252 120.096 119.800 0.074 0.000 2.170 232 Q HA -0.219 4.120 4.340 -0.001 0.000 0.203 232 Q C 2.231 178.252 176.000 0.034 0.000 0.976 232 Q CA 1.488 57.314 55.803 0.039 0.000 0.858 232 Q CB 0.072 28.814 28.738 0.007 0.000 0.907 232 Q HN 0.412 nan 8.270 nan 0.000 0.433 233 R N -0.761 119.761 120.500 0.036 0.000 2.140 233 R HA 0.120 4.459 4.340 -0.001 0.000 0.213 233 R C 1.949 178.276 176.300 0.045 0.000 1.059 233 R CA 0.879 56.999 56.100 0.033 0.000 1.000 233 R CB 0.314 30.629 30.300 0.026 0.000 0.910 233 R HN 0.199 nan 8.270 nan 0.000 0.455 234 R N -0.917 119.619 120.500 0.060 0.000 2.316 234 R HA 0.157 4.497 4.340 -0.001 0.000 0.201 234 R C 0.072 176.420 176.300 0.080 0.000 0.888 234 R CA 0.172 56.313 56.100 0.069 0.000 1.041 234 R CB 0.836 31.182 30.300 0.076 0.000 1.115 234 R HN -0.038 nan 8.270 nan 0.000 0.559 235 Q N 0.793 120.648 119.800 0.091 0.000 2.907 235 Q HA 0.208 4.547 4.340 -0.001 0.000 0.262 235 Q C -2.201 173.853 176.000 0.091 0.000 0.997 235 Q CA -1.556 54.306 55.803 0.099 0.000 0.797 235 Q CB 1.789 30.602 28.738 0.125 0.000 1.228 235 Q HN 0.091 nan 8.270 nan 0.000 0.466 236 P HA -0.036 nan 4.420 nan 0.000 0.231 236 P C 0.285 177.632 177.300 0.079 0.000 1.168 236 P CA 0.646 63.787 63.100 0.068 0.000 0.779 236 P CB 0.533 32.267 31.700 0.057 0.000 0.844 237 D N -0.290 120.168 120.400 0.097 0.000 2.378 237 D HA 0.047 4.686 4.640 -0.001 0.000 0.227 237 D C 0.550 176.909 176.300 0.097 0.000 1.012 237 D CA 0.600 54.673 54.000 0.122 0.000 0.905 237 D CB -0.029 40.874 40.800 0.173 0.000 0.895 237 D HN 0.274 nan 8.370 nan 0.000 0.532 238 L N 1.017 122.289 121.223 0.082 0.000 2.325 238 L HA 0.308 4.647 4.340 -0.001 0.000 0.281 238 L C 0.174 177.099 176.870 0.093 0.000 1.004 238 L CA -0.608 54.274 54.840 0.070 0.000 0.823 238 L CB 1.951 44.063 42.059 0.088 0.000 1.236 238 L HN -0.356 nan 8.230 nan 0.000 0.415 239 Q N 4.093 123.957 119.800 0.107 0.000 2.331 239 Q HA 0.436 4.776 4.340 -0.001 0.000 0.257 239 Q C -0.744 175.360 176.000 0.173 0.000 0.957 239 Q CA -0.514 55.360 55.803 0.120 0.000 0.923 239 Q CB 2.137 30.990 28.738 0.192 0.000 1.212 239 Q HN 0.459 nan 8.270 nan 0.000 0.443 240 M N 3.145 122.757 119.600 0.019 0.000 2.157 240 M HA 0.321 4.800 4.480 -0.001 0.000 0.354 240 M C -0.482 175.697 176.300 -0.203 0.000 1.170 240 M CA -0.078 55.250 55.300 0.047 0.000 1.060 240 M CB 0.790 33.353 32.600 -0.060 0.000 1.615 240 M HN 0.469 nan 8.290 nan 0.000 0.460 241 H N 3.646 122.763 119.070 0.079 0.000 2.689 241 H HA 0.445 5.000 4.556 -0.002 0.000 0.346 241 H C -1.269 173.989 175.328 -0.116 0.000 1.037 241 H CA -0.788 55.209 56.048 -0.085 0.000 1.234 241 H CB 2.238 31.963 29.762 -0.062 0.000 1.572 241 H HN 0.380 nan 8.280 nan 0.000 0.524 242 L N 3.890 124.949 121.223 -0.273 0.000 2.296 242 L HA 0.309 4.648 4.340 -0.001 0.000 0.286 242 L C -0.628 176.110 176.870 -0.220 0.000 1.023 242 L CA -0.323 54.376 54.840 -0.237 0.000 0.812 242 L CB 0.518 42.133 42.059 -0.739 0.000 1.223 242 L HN 0.440 nan 8.230 nan 0.000 0.421 243 F N 2.943 123.130 119.950 0.394 0.000 2.308 243 F HA 0.609 5.135 4.527 -0.002 0.000 0.370 243 F C 0.614 176.668 175.800 0.423 0.000 1.100 243 F CA -0.707 57.492 58.000 0.330 0.000 1.108 243 F CB 1.076 40.193 39.000 0.196 0.000 1.293 243 F HN 0.518 nan 8.300 nan 0.000 0.478 244 A N 1.636 124.732 122.820 0.460 0.000 2.309 244 A HA 0.453 4.772 4.320 -0.001 0.000 0.290 244 A C 0.913 178.658 177.584 0.268 0.000 1.206 244 A CA -0.370 51.947 52.037 0.466 0.000 0.850 244 A CB 0.004 19.234 19.000 0.384 0.000 1.118 244 A HN 0.789 nan 8.150 nan 0.000 0.523 245 T N -0.526 114.142 114.554 0.190 0.000 3.235 245 T HA 0.350 4.700 4.350 -0.001 0.000 0.251 245 T C 0.426 175.163 174.700 0.062 0.000 1.060 245 T CA 0.325 62.490 62.100 0.109 0.000 0.949 245 T CB -0.896 68.022 68.868 0.084 0.000 1.020 245 T HN 1.099 nan 8.240 nan 0.000 0.564 246 S N -0.637 115.113 115.700 0.084 0.000 2.564 246 S HA 0.775 5.245 4.470 -0.001 0.000 0.274 246 S C 0.181 174.836 174.600 0.091 0.000 1.124 246 S CA -0.756 57.484 58.200 0.065 0.000 0.869 246 S CB 1.453 64.676 63.200 0.038 0.000 1.105 246 S HN 0.416 nan 8.310 nan 0.000 0.472 247 G N 0.383 109.225 108.800 0.070 0.000 2.616 247 G HA2 0.372 4.331 3.960 -0.001 0.000 0.268 247 G HA3 0.372 4.331 3.960 -0.001 0.000 0.268 247 G C -0.541 174.402 174.900 0.072 0.000 1.213 247 G CA -0.446 44.691 45.100 0.061 0.000 0.926 247 G HN 0.807 nan 8.290 nan 0.000 0.523 248 D N -0.257 120.174 120.400 0.053 0.000 2.450 248 D HA 0.019 4.658 4.640 -0.001 0.000 0.247 248 D C 0.731 177.060 176.300 0.049 0.000 1.162 248 D CA -0.326 53.703 54.000 0.048 0.000 0.879 248 D CB 1.117 41.932 40.800 0.025 0.000 1.163 248 D HN 0.354 nan 8.370 nan 0.000 0.472 249 D N 2.342 122.776 120.400 0.056 0.000 2.349 249 D HA 0.127 4.766 4.640 -0.001 0.000 0.214 249 D C 1.434 177.743 176.300 0.015 0.000 1.063 249 D CA 0.369 54.392 54.000 0.039 0.000 0.847 249 D CB -0.131 40.692 40.800 0.039 0.000 0.933 249 D HN 0.583 nan 8.370 nan 0.000 0.513 250 G N 0.608 109.417 108.800 0.014 0.000 2.184 250 G HA2 -0.318 3.641 3.960 -0.001 0.000 0.264 250 G HA3 -0.318 3.641 3.960 -0.001 0.000 0.264 250 G C 0.452 175.352 174.900 0.000 0.000 0.975 250 G CA 0.585 45.688 45.100 0.006 0.000 0.642 250 G HN 0.872 nan 8.290 nan 0.000 0.536 251 S N -0.031 115.667 115.700 -0.004 0.000 2.572 251 S HA 0.453 4.922 4.470 -0.001 0.000 0.279 251 S C 1.763 176.361 174.600 -0.004 0.000 1.341 251 S CA 1.009 59.203 58.200 -0.010 0.000 1.043 251 S CB 1.349 64.532 63.200 -0.028 0.000 0.887 251 S HN 1.385 nan 8.310 nan 0.000 0.516 252 T N 0.971 115.522 114.554 -0.004 0.000 2.962 252 T HA -0.042 4.307 4.350 -0.001 0.000 0.270 252 T C 1.662 176.357 174.700 -0.009 0.000 1.088 252 T CA 0.906 63.003 62.100 -0.005 0.000 1.127 252 T CB -0.681 68.187 68.868 0.001 0.000 0.883 252 T HN 0.546 nan 8.240 nan 0.000 0.493 253 L N 0.349 121.566 121.223 -0.010 0.000 2.017 253 L HA -0.007 4.332 4.340 -0.001 0.000 0.208 253 L C 3.137 180.013 176.870 0.009 0.000 1.073 253 L CA 1.382 56.217 54.840 -0.008 0.000 0.745 253 L CB -0.441 41.607 42.059 -0.018 0.000 0.894 253 L HN 0.210 nan 8.230 nan 0.000 0.432 254 R N -0.090 120.423 120.500 0.022 0.000 2.091 254 R HA -0.152 4.187 4.340 -0.001 0.000 0.238 254 R C 2.134 178.424 176.300 -0.016 0.000 1.136 254 R CA 2.325 58.442 56.100 0.029 0.000 0.959 254 R CB -0.982 29.344 30.300 0.043 0.000 0.856 254 R HN 0.199 nan 8.270 nan 0.000 0.437 255 T N 0.235 114.777 114.554 -0.020 0.000 2.812 255 T HA -0.001 4.348 4.350 -0.001 0.000 0.264 255 T C 1.791 176.461 174.700 -0.049 0.000 1.042 255 T CA 1.393 63.472 62.100 -0.035 0.000 1.140 255 T CB -0.118 68.736 68.868 -0.024 0.000 0.870 255 T HN 0.300 nan 8.240 nan 0.000 0.445 256 R N 0.474 120.949 120.500 -0.041 0.000 2.066 256 R HA 0.086 4.425 4.340 -0.001 0.000 0.232 256 R C 2.453 178.711 176.300 -0.069 0.000 1.131 256 R CA 0.987 57.059 56.100 -0.047 0.000 0.955 256 R CB -0.550 29.730 30.300 -0.034 0.000 0.851 256 R HN 0.320 nan 8.270 nan 0.000 0.432 257 L N 0.276 121.455 121.223 -0.073 0.000 2.042 257 L HA -0.223 4.116 4.340 -0.001 0.000 0.210 257 L C 2.659 179.392 176.870 -0.230 0.000 1.076 257 L CA 1.459 56.209 54.840 -0.149 0.000 0.749 257 L CB -0.576 41.388 42.059 -0.159 0.000 0.893 257 L HN 0.277 nan 8.230 nan 0.000 0.432 258 A N -0.870 121.844 122.820 -0.176 0.000 1.972 258 A HA -0.266 4.053 4.320 -0.001 0.000 0.219 258 A C 2.215 179.698 177.584 -0.168 0.000 1.169 258 A CA 1.746 53.673 52.037 -0.183 0.000 0.635 258 A CB -0.423 18.501 19.000 -0.126 0.000 0.810 258 A HN 0.412 nan 8.150 nan 0.000 0.446 259 Q N -0.811 118.913 119.800 -0.127 0.000 2.123 259 Q HA 0.107 4.446 4.340 -0.001 0.000 0.199 259 Q C 1.913 177.842 176.000 -0.119 0.000 0.966 259 Q CA 1.470 57.210 55.803 -0.105 0.000 0.845 259 Q CB -0.299 28.395 28.738 -0.073 0.000 0.907 259 Q HN 0.604 nan 8.270 nan 0.000 0.439 260 A N -0.713 122.027 122.820 -0.133 0.000 2.251 260 A HA 0.252 4.572 4.320 -0.001 0.000 0.209 260 A C 0.580 178.048 177.584 -0.193 0.000 1.187 260 A CA 0.618 52.583 52.037 -0.120 0.000 0.823 260 A CB 0.042 19.005 19.000 -0.062 0.000 0.846 260 A HN 0.357 nan 8.150 nan 0.000 0.486 261 S N -2.330 113.207 115.700 -0.272 0.000 2.757 261 S HA 0.489 4.958 4.470 -0.001 0.000 0.285 261 S C -0.657 173.717 174.600 -0.376 0.000 1.196 261 S CA -0.328 57.654 58.200 -0.363 0.000 0.856 261 S CB 0.728 63.603 63.200 -0.542 0.000 1.212 261 S HN 0.029 nan 8.310 nan 0.000 0.516 262 T N 2.017 116.280 114.554 -0.485 0.000 2.762 262 T HA 0.478 4.828 4.350 -0.001 0.000 0.303 262 T C -0.524 173.817 174.700 -0.598 0.000 0.977 262 T CA -0.273 61.510 62.100 -0.529 0.000 0.961 262 T CB 0.011 68.516 68.868 -0.605 0.000 0.944 262 T HN 0.562 nan 8.240 nan 0.000 0.481 263 L N 5.765 126.683 121.223 -0.509 0.000 2.265 263 L HA 0.402 4.741 4.340 -0.001 0.000 0.289 263 L C -0.238 176.398 176.870 -0.389 0.000 1.033 263 L CA -0.652 53.938 54.840 -0.417 0.000 0.814 263 L CB 0.284 42.150 42.059 -0.321 0.000 1.203 263 L HN 0.644 nan 8.230 nan 0.000 0.423 264 H N 3.266 122.191 119.070 -0.240 0.000 2.488 264 H HA 0.147 4.702 4.556 -0.002 0.000 0.322 264 H C -1.165 174.157 175.328 -0.010 0.000 1.078 264 H CA -0.689 55.301 56.048 -0.096 0.000 1.260 264 H CB 1.794 31.535 29.762 -0.035 0.000 1.425 264 H HN 0.602 nan 8.280 nan 0.000 0.471 265 D N 3.271 123.728 120.400 0.095 0.000 2.365 265 D HA 0.096 4.735 4.640 -0.001 0.000 0.237 265 D C 0.917 177.268 176.300 0.085 0.000 1.190 265 D CA -0.468 53.586 54.000 0.089 0.000 0.867 265 D CB 0.758 41.584 40.800 0.043 0.000 1.050 265 D HN 0.386 nan 8.370 nan 0.000 0.491 266 V N 0.956 120.945 119.914 0.125 0.000 3.483 266 V HA 0.237 4.356 4.120 -0.001 0.000 0.301 266 V C 0.631 176.753 176.094 0.048 0.000 1.389 266 V CA -0.410 61.935 62.300 0.075 0.000 1.101 266 V CB -0.523 31.384 31.823 0.141 0.000 0.971 266 V HN 0.419 nan 8.190 nan 0.000 0.434 267 T N 1.729 116.316 114.554 0.055 0.000 2.939 267 T HA 0.368 4.717 4.350 -0.001 0.000 0.312 267 T C 1.382 176.081 174.700 -0.001 0.000 1.064 267 T CA 1.057 63.176 62.100 0.031 0.000 1.136 267 T CB 0.817 69.705 68.868 0.033 0.000 1.035 267 T HN 1.722 nan 8.240 nan 0.000 0.538 268 A N 1.545 124.352 122.820 -0.022 0.000 3.907 268 A HA -0.158 4.161 4.320 -0.001 0.000 0.257 268 A C 0.610 178.160 177.584 -0.057 0.000 0.945 268 A CA 0.604 52.617 52.037 -0.040 0.000 1.394 268 A CB -2.260 16.724 19.000 -0.027 0.000 1.011 268 A HN 0.706 nan 8.150 nan 0.000 0.829 269 L N 0.564 121.753 121.223 -0.055 0.000 2.416 269 L HA 0.458 4.797 4.340 -0.001 0.000 0.272 269 L C 1.527 178.330 176.870 -0.112 0.000 1.161 269 L CA 0.250 55.047 54.840 -0.071 0.000 0.845 269 L CB 0.517 42.541 42.059 -0.059 0.000 1.119 269 L HN 0.563 nan 8.230 nan 0.000 0.464 270 G N 0.642 109.362 108.800 -0.134 0.000 2.716 270 G HA2 -0.002 3.957 3.960 -0.001 0.000 0.251 270 G HA3 -0.002 3.957 3.960 -0.001 0.000 0.251 270 G C 0.630 175.420 174.900 -0.184 0.000 1.224 270 G CA -0.143 44.822 45.100 -0.224 0.000 0.891 270 G HN 0.850 nan 8.290 nan 0.000 0.561 271 H N -0.666 118.368 119.070 -0.061 0.000 2.353 271 H HA -0.094 4.462 4.556 -0.000 0.000 0.300 271 H C 2.372 177.637 175.328 -0.105 0.000 1.090 271 H CA 1.219 57.215 56.048 -0.087 0.000 1.327 271 H CB 0.054 29.760 29.762 -0.093 0.000 1.383 271 H HN 0.268 nan 8.280 nan 0.000 0.508 272 L N 0.850 122.088 121.223 0.026 0.000 1.988 272 L HA -0.076 4.263 4.340 -0.001 0.000 0.207 272 L C 2.488 179.335 176.870 -0.039 0.000 1.071 272 L CA 1.769 56.595 54.840 -0.024 0.000 0.744 272 L CB -0.954 41.090 42.059 -0.024 0.000 0.893 272 L HN 0.240 nan 8.230 nan 0.000 0.433 273 A N -1.536 121.264 122.820 -0.035 0.000 1.958 273 A HA -0.269 4.050 4.320 -0.001 0.000 0.221 273 A C 2.249 179.829 177.584 -0.006 0.000 1.178 273 A CA 2.552 54.574 52.037 -0.025 0.000 0.642 273 A CB -1.307 17.671 19.000 -0.037 0.000 0.816 273 A HN 0.582 nan 8.150 nan 0.000 0.453 274 T N -0.063 114.474 114.554 -0.028 0.000 2.770 274 T HA 0.081 4.431 4.350 -0.001 0.000 0.263 274 T C 2.276 176.919 174.700 -0.096 0.000 1.039 274 T CA 1.410 63.492 62.100 -0.030 0.000 1.142 274 T CB -0.453 68.393 68.868 -0.037 0.000 0.868 274 T HN 0.621 nan 8.240 nan 0.000 0.435 275 A N 1.869 124.609 122.820 -0.133 0.000 1.908 275 A HA -0.136 4.183 4.320 -0.001 0.000 0.218 275 A C 2.250 179.745 177.584 -0.148 0.000 1.181 275 A CA 1.602 53.517 52.037 -0.202 0.000 0.627 275 A CB -0.464 18.421 19.000 -0.193 0.000 0.818 275 A HN 0.425 nan 8.150 nan 0.000 0.445 276 K N -1.728 118.629 120.400 -0.072 0.000 2.148 276 K HA -0.169 4.151 4.320 -0.001 0.000 0.204 276 K C 1.981 178.592 176.600 0.020 0.000 1.050 276 K CA 1.483 57.750 56.287 -0.034 0.000 0.942 276 K CB -0.227 32.262 32.500 -0.019 0.000 0.724 276 K HN 0.738 nan 8.250 nan 0.000 0.446 277 H N 0.536 119.581 119.070 -0.042 0.000 2.470 277 H HA 0.078 4.634 4.556 0.000 0.000 0.289 277 H C 1.651 177.023 175.328 0.074 0.000 1.033 277 H CA 1.072 57.159 56.048 0.065 0.000 1.331 277 H CB 0.153 29.967 29.762 0.087 0.000 1.414 277 H HN 0.066 nan 8.280 nan 0.000 0.545 278 I N -0.442 119.998 120.570 -0.216 0.000 2.233 278 I HA -0.176 3.993 4.170 -0.001 0.000 0.243 278 I C 2.582 178.544 176.117 -0.258 0.000 1.093 278 I CA 0.891 61.908 61.300 -0.471 0.000 1.380 278 I CB -0.162 37.408 38.000 -0.716 0.000 1.067 278 I HN 0.146 nan 8.210 nan 0.000 0.413 279 R N 0.698 121.084 120.500 -0.189 0.000 2.094 279 R HA -0.280 4.059 4.340 -0.001 0.000 0.239 279 R C 2.422 178.662 176.300 -0.100 0.000 1.137 279 R CA 1.976 58.000 56.100 -0.127 0.000 0.943 279 R CB -1.224 29.020 30.300 -0.093 0.000 0.850 279 R HN 0.434 nan 8.270 nan 0.000 0.433 280 H N -0.912 118.045 119.070 -0.189 0.000 2.362 280 H HA -0.197 4.358 4.556 -0.001 0.000 0.294 280 H C 1.171 176.289 175.328 -0.350 0.000 1.113 280 H CA 2.125 58.020 56.048 -0.255 0.000 1.253 280 H CB -0.007 29.578 29.762 -0.295 0.000 1.363 280 H HN 0.452 nan 8.280 nan 0.000 0.494 281 H N -0.761 118.134 119.070 -0.292 0.000 2.547 281 H HA 0.044 4.599 4.556 -0.002 0.000 0.266 281 H C 1.201 176.374 175.328 -0.259 0.000 0.988 281 H CA 0.730 56.593 56.048 -0.307 0.000 1.147 281 H CB 0.240 29.840 29.762 -0.271 0.000 1.365 281 H HN 0.653 nan 8.280 nan 0.000 0.589 282 G N 1.726 110.437 108.800 -0.148 0.000 2.246 282 G HA2 -0.249 3.710 3.960 -0.001 0.000 0.273 282 G HA3 -0.249 3.710 3.960 -0.001 0.000 0.273 282 G C 0.076 174.917 174.900 -0.098 0.000 1.055 282 G CA -0.133 44.896 45.100 -0.118 0.000 0.851 282 G HN 0.157 nan 8.290 nan 0.000 0.500 283 I N 1.083 121.587 120.570 -0.111 0.000 2.683 283 I HA 0.071 4.240 4.170 -0.001 0.000 0.286 283 I C 1.311 177.377 176.117 -0.086 0.000 1.175 283 I CA -0.300 60.947 61.300 -0.089 0.000 1.429 283 I CB 0.450 38.394 38.000 -0.094 0.000 1.371 283 I HN 0.272 nan 8.210 nan 0.000 0.569 284 D N 5.890 126.244 120.400 -0.077 0.000 2.144 284 D HA 0.059 4.698 4.640 -0.001 0.000 0.207 284 D C 0.430 176.659 176.300 -0.117 0.000 0.970 284 D CA 1.088 55.029 54.000 -0.099 0.000 0.853 284 D CB 0.393 41.113 40.800 -0.134 0.000 1.007 284 D HN 0.315 nan 8.370 nan 0.000 0.469 285 L N 1.284 122.445 121.223 -0.104 0.000 2.313 285 L HA 0.462 4.801 4.340 -0.001 0.000 0.283 285 L C -0.913 175.922 176.870 -0.057 0.000 1.013 285 L CA -0.809 53.957 54.840 -0.123 0.000 0.816 285 L CB 2.370 44.355 42.059 -0.123 0.000 1.236 285 L HN -0.094 nan 8.230 nan 0.000 0.419 286 L N 3.620 124.791 121.223 -0.086 0.000 2.372 286 L HA 0.549 4.888 4.340 -0.001 0.000 0.273 286 L C -1.217 175.731 176.870 0.129 0.000 0.989 286 L CA 0.096 54.969 54.840 0.054 0.000 0.841 286 L CB 1.154 43.224 42.059 0.019 0.000 1.225 286 L HN 0.237 nan 8.230 nan 0.000 0.414 287 F N 3.099 123.103 119.950 0.091 0.000 2.411 287 F HA 0.304 4.830 4.527 -0.002 0.000 0.350 287 F C 0.509 176.535 175.800 0.377 0.000 1.114 287 F CA -0.249 57.891 58.000 0.233 0.000 1.135 287 F CB 1.042 40.188 39.000 0.243 0.000 1.120 287 F HN 0.470 nan 8.300 nan 0.000 0.495 288 D N 4.761 125.292 120.400 0.218 0.000 2.411 288 D HA 0.188 4.827 4.640 -0.001 0.000 0.225 288 D C 0.635 177.009 176.300 0.124 0.000 1.156 288 D CA 0.017 53.905 54.000 -0.187 0.000 0.874 288 D CB 0.720 40.907 40.800 -1.023 0.000 1.034 288 D HN 0.508 nan 8.370 nan 0.000 0.502 289 L N 3.171 124.538 121.223 0.240 0.000 2.418 289 L HA 0.083 4.422 4.340 -0.001 0.000 0.218 289 L C 2.120 179.055 176.870 0.108 0.000 1.125 289 L CA 0.346 55.312 54.840 0.210 0.000 0.835 289 L CB 0.030 42.208 42.059 0.198 0.000 0.953 289 L HN 0.275 nan 8.230 nan 0.000 0.454 290 R N -0.613 119.913 120.500 0.043 0.000 2.250 290 R HA 0.177 4.516 4.340 -0.001 0.000 0.194 290 R C 1.994 178.357 176.300 0.105 0.000 0.927 290 R CA 0.920 57.050 56.100 0.050 0.000 1.052 290 R CB 0.097 30.387 30.300 -0.016 0.000 1.055 290 R HN 0.265 nan 8.270 nan 0.000 0.537 291 G N -0.723 108.013 108.800 -0.106 0.000 2.576 291 G HA2 -0.125 3.834 3.960 -0.001 0.000 0.210 291 G HA3 -0.125 3.834 3.960 -0.001 0.000 0.210 291 G C 0.895 175.473 174.900 -0.536 0.000 1.143 291 G CA -0.312 44.558 45.100 -0.383 0.000 0.819 291 G HN 0.227 nan 8.290 nan 0.000 0.534 292 W N 1.615 122.603 121.300 -0.521 0.000 2.678 292 W HA 0.327 4.986 4.660 -0.002 0.000 0.256 292 W C 1.788 178.271 176.519 -0.061 0.000 1.280 292 W CA -0.429 56.716 57.345 -0.334 0.000 1.345 292 W CB 0.060 29.242 29.460 -0.463 0.000 1.118 292 W HN 0.200 nan 8.180 nan 0.000 0.629 293 G N 1.213 110.110 108.800 0.161 0.000 2.368 293 G HA2 0.244 4.203 3.960 -0.001 0.000 0.233 293 G HA3 0.244 4.203 3.960 -0.001 0.000 0.233 293 G C 0.619 175.409 174.900 -0.185 0.000 1.267 293 G CA -0.231 44.752 45.100 -0.196 0.000 0.873 293 G HN 0.172 nan 8.290 nan 0.000 0.539 294 G N -0.287 108.344 108.800 -0.281 0.000 2.391 294 G HA2 0.510 4.469 3.960 -0.001 0.000 0.234 294 G HA3 0.510 4.469 3.960 -0.001 0.000 0.234 294 G C 1.326 176.180 174.900 -0.077 0.000 1.284 294 G CA 0.604 45.636 45.100 -0.112 0.000 0.873 294 G HN 2.074 nan 8.290 nan 0.000 0.549 295 G N 0.442 109.227 108.800 -0.025 0.000 2.179 295 G HA2 -0.066 3.893 3.960 -0.001 0.000 0.257 295 G HA3 -0.066 3.893 3.960 -0.001 0.000 0.257 295 G C 1.251 176.146 174.900 -0.009 0.000 1.010 295 G CA 0.803 45.894 45.100 -0.016 0.000 0.736 295 G HN 1.701 nan 8.290 nan 0.000 0.513 296 G N -0.237 108.561 108.800 -0.004 0.000 2.744 296 G HA2 0.234 4.193 3.960 -0.001 0.000 0.211 296 G HA3 0.234 4.193 3.960 -0.001 0.000 0.211 296 G C 1.037 175.951 174.900 0.023 0.000 1.143 296 G CA 0.373 45.466 45.100 -0.011 0.000 0.788 296 G HN 0.881 nan 8.290 nan 0.000 0.534 297 R N -0.844 119.683 120.500 0.045 0.000 3.092 297 R HA -0.155 4.184 4.340 -0.001 0.000 0.245 297 R C -1.860 174.423 176.300 -0.029 0.000 0.881 297 R CA 0.892 57.013 56.100 0.034 0.000 0.614 297 R CB -1.933 28.441 30.300 0.123 0.000 1.128 297 R HN 0.363 nan 8.270 nan 0.000 0.483 298 P HA -0.131 nan 4.420 nan 0.000 0.222 298 P C 1.299 178.380 177.300 -0.366 0.000 1.153 298 P CA 0.958 63.921 63.100 -0.229 0.000 0.798 298 P CB 0.120 31.555 31.700 -0.441 0.000 0.796 299 E N 0.134 120.082 120.200 -0.420 0.000 2.153 299 E HA -0.104 4.245 4.350 -0.001 0.000 0.194 299 E C 1.932 178.245 176.600 -0.477 0.000 0.988 299 E CA 1.042 57.119 56.400 -0.537 0.000 0.811 299 E CB -1.565 27.772 29.700 -0.606 0.000 0.746 299 E HN 0.086 nan 8.360 nan 0.000 0.466 300 V N 0.967 120.671 119.914 -0.350 0.000 2.282 300 V HA -0.266 3.853 4.120 -0.001 0.000 0.249 300 V C 2.218 178.003 176.094 -0.515 0.000 1.057 300 V CA 2.093 64.186 62.300 -0.345 0.000 1.032 300 V CB -0.734 30.909 31.823 -0.300 0.000 0.645 300 V HN 0.114 nan 8.190 nan 0.000 0.447 301 F N 0.350 120.013 119.950 -0.478 0.000 2.259 301 F HA -0.005 4.521 4.527 -0.002 0.000 0.298 301 F C 2.349 177.611 175.800 -0.897 0.000 1.088 301 F CA 1.106 58.792 58.000 -0.524 0.000 1.358 301 F CB -0.699 38.100 39.000 -0.336 0.000 1.040 301 F HN 0.090 nan 8.300 nan 0.000 0.505 302 A N -0.214 121.875 122.820 -1.218 0.000 2.067 302 A HA -0.068 4.251 4.320 -0.001 0.000 0.219 302 A C 1.971 179.267 177.584 -0.480 0.000 1.158 302 A CA 0.998 52.260 52.037 -1.291 0.000 0.661 302 A CB -0.948 17.210 19.000 -1.403 0.000 0.801 302 A HN 0.414 nan 8.150 nan 0.000 0.452 303 L N -0.699 120.287 121.223 -0.394 0.000 2.599 303 L HA 0.053 4.393 4.340 -0.001 0.000 0.230 303 L C 0.241 177.002 176.870 -0.181 0.000 1.141 303 L CA -0.272 54.428 54.840 -0.233 0.000 0.877 303 L CB -0.258 41.671 42.059 -0.217 0.000 1.009 303 L HN 0.307 nan 8.230 nan 0.000 0.447 304 R N 0.164 120.557 120.500 -0.178 0.000 2.670 304 R HA -0.175 4.164 4.340 -0.001 0.000 0.240 304 R C -1.778 174.439 176.300 -0.137 0.000 0.829 304 R CA 0.106 56.143 56.100 -0.105 0.000 0.606 304 R CB -0.967 29.324 30.300 -0.014 0.000 1.372 304 R HN 0.275 nan 8.270 nan 0.000 0.525 305 P HA 0.009 nan 4.420 nan 0.000 0.241 305 P C -0.033 177.160 177.300 -0.179 0.000 1.191 305 P CA 0.987 63.963 63.100 -0.206 0.000 0.771 305 P CB 0.597 32.119 31.700 -0.296 0.000 0.929 306 A N 0.163 122.888 122.820 -0.157 0.000 2.469 306 A HA 0.627 4.946 4.320 -0.001 0.000 0.299 306 A C -2.164 175.374 177.584 -0.077 0.000 1.098 306 A CA -1.599 50.366 52.037 -0.121 0.000 0.737 306 A CB 1.008 19.928 19.000 -0.132 0.000 1.312 306 A HN -0.245 nan 8.150 nan 0.000 0.414 307 P HA 0.041 nan 4.420 nan 0.000 0.218 307 P C -0.011 177.240 177.300 -0.081 0.000 1.152 307 P CA 0.861 63.929 63.100 -0.054 0.000 0.826 307 P CB 0.139 31.811 31.700 -0.047 0.000 0.790 308 V N 1.078 120.914 119.914 -0.129 0.000 2.409 308 V HA 0.278 4.397 4.120 -0.001 0.000 0.291 308 V C -0.265 175.776 176.094 -0.089 0.000 1.020 308 V CA -0.512 61.697 62.300 -0.151 0.000 0.848 308 V CB 1.488 33.134 31.823 -0.295 0.000 0.990 308 V HN -0.025 nan 8.190 nan 0.000 0.430 309 Q N 3.587 123.383 119.800 -0.006 0.000 2.340 309 Q HA 0.759 5.098 4.340 -0.001 0.000 0.268 309 Q C -1.371 174.616 176.000 -0.021 0.000 1.031 309 Q CA -0.717 55.113 55.803 0.044 0.000 0.804 309 Q CB 3.073 31.953 28.738 0.238 0.000 1.286 309 Q HN 0.558 nan 8.270 nan 0.000 0.448 310 V N 2.040 121.847 119.914 -0.179 0.000 2.680 310 V HA 0.396 4.515 4.120 -0.001 0.000 0.309 310 V C -0.573 175.480 176.094 -0.068 0.000 1.052 310 V CA -0.977 61.171 62.300 -0.254 0.000 0.908 310 V CB 2.038 33.322 31.823 -0.898 0.000 1.001 310 V HN 0.722 nan 8.190 nan 0.000 0.431 311 N N 2.938 121.687 118.700 0.081 0.000 2.446 311 N HA 0.409 5.148 4.740 -0.001 0.000 0.265 311 N C -1.598 174.156 175.510 0.407 0.000 0.975 311 N CA -0.429 52.719 53.050 0.164 0.000 0.928 311 N CB 1.346 39.882 38.487 0.081 0.000 1.160 311 N HN 0.743 nan 8.380 nan 0.000 0.495 312 W N 5.942 127.414 121.300 0.287 0.000 3.274 312 W HA 0.521 5.180 4.660 -0.001 0.000 0.327 312 W C 0.005 176.763 176.519 0.399 0.000 1.172 312 W CA -0.716 56.872 57.345 0.405 0.000 1.217 312 W CB 0.344 30.213 29.460 0.681 0.000 1.376 312 W HN 0.522 nan 8.180 nan 0.000 0.507 313 L N 3.499 124.715 121.223 -0.011 0.000 3.306 313 L HA -0.281 4.058 4.340 -0.001 0.000 0.358 313 L C 0.955 177.913 176.870 0.147 0.000 3.949 313 L CA 3.475 58.174 54.840 -0.234 0.000 1.620 313 L CB -1.835 39.575 42.059 -1.081 0.000 3.166 313 L HN 1.003 nan 8.230 nan 0.000 0.841 314 A N -2.007 120.882 122.820 0.115 0.000 2.503 314 A HA 0.434 4.753 4.320 -0.001 0.000 0.263 314 A C -0.001 177.761 177.584 0.296 0.000 1.258 314 A CA 0.535 52.690 52.037 0.196 0.000 0.936 314 A CB -0.210 18.850 19.000 0.100 0.000 1.070 314 A HN 0.580 nan 8.150 nan 0.000 0.522 315 Y N 1.723 122.125 120.300 0.171 0.000 2.388 315 Y HA 0.475 5.024 4.550 -0.002 0.000 0.328 315 Y C -2.460 173.529 175.900 0.149 0.000 0.963 315 Y CA -2.728 55.492 58.100 0.200 0.000 1.240 315 Y CB 1.814 40.361 38.460 0.145 0.000 1.118 315 Y HN 0.089 nan 8.280 nan 0.000 0.484 316 P HA 0.321 nan 4.420 nan 0.000 0.218 316 P C -0.116 177.040 177.300 -0.239 0.000 1.793 316 P CA 0.479 63.559 63.100 -0.033 0.000 0.941 316 P CB 0.158 32.079 31.700 0.368 0.000 1.919 317 G N -1.209 107.382 108.800 -0.349 0.000 2.488 317 G HA2 0.308 4.267 3.960 -0.001 0.000 0.301 317 G HA3 0.308 4.267 3.960 -0.001 0.000 0.301 317 G C -1.405 173.555 174.900 0.099 0.000 1.339 317 G CA -0.394 44.633 45.100 -0.122 0.000 0.803 317 G HN 0.043 nan 8.290 nan 0.000 0.482 318 T N -0.673 113.728 114.554 -0.254 0.000 2.898 318 T HA 0.393 4.742 4.350 -0.001 0.000 0.301 318 T C 1.931 176.716 174.700 0.141 0.000 1.049 318 T CA 0.845 62.766 62.100 -0.300 0.000 1.095 318 T CB 0.778 69.220 68.868 -0.711 0.000 0.976 318 T HN 1.303 nan 8.240 nan 0.000 0.539 319 S N 2.575 118.324 115.700 0.082 0.000 2.446 319 S HA 0.203 4.672 4.470 -0.001 0.000 0.225 319 S C 1.889 176.571 174.600 0.137 0.000 1.016 319 S CA 0.813 59.056 58.200 0.073 0.000 0.943 319 S CB -0.574 62.512 63.200 -0.190 0.000 0.786 319 S HN 1.706 nan 8.310 nan 0.000 0.508 320 G N 0.904 109.685 108.800 -0.031 0.000 2.162 320 G HA2 -0.059 3.900 3.960 -0.001 0.000 0.260 320 G HA3 -0.059 3.900 3.960 -0.001 0.000 0.260 320 G C 0.111 174.895 174.900 -0.193 0.000 0.976 320 G CA 0.141 45.194 45.100 -0.078 0.000 0.655 320 G HN 1.397 nan 8.290 nan 0.000 0.533 321 A N 0.079 122.676 122.820 -0.371 0.000 2.342 321 A HA 0.874 5.193 4.320 -0.001 0.000 0.323 321 A C -0.559 176.603 177.584 -0.702 0.000 1.125 321 A CA -0.941 50.621 52.037 -0.791 0.000 0.785 321 A CB 1.594 19.616 19.000 -1.630 0.000 1.221 321 A HN 0.016 nan 8.150 nan 0.000 0.463 322 P HA -0.116 nan 4.420 nan 0.000 0.222 322 P C 0.829 178.067 177.300 -0.103 0.000 1.147 322 P CA 1.221 64.197 63.100 -0.207 0.000 0.790 322 P CB -0.105 31.560 31.700 -0.058 0.000 0.780 323 W N -2.004 119.292 121.300 -0.006 0.000 3.180 323 W HA 0.430 5.089 4.660 -0.001 0.000 0.254 323 W C 0.333 176.844 176.519 -0.012 0.000 1.318 323 W CA -0.480 56.862 57.345 -0.006 0.000 1.608 323 W CB -1.127 28.342 29.460 0.014 0.000 1.124 323 W HN -0.254 nan 8.180 nan 0.000 0.694 324 M N 2.505 122.028 119.600 -0.129 0.000 2.088 324 M HA 0.223 4.702 4.480 -0.001 0.000 0.346 324 M C 0.123 176.361 176.300 -0.104 0.000 1.111 324 M CA -0.319 54.944 55.300 -0.063 0.000 1.017 324 M CB 1.197 33.690 32.600 -0.179 0.000 1.568 324 M HN -0.016 nan 8.290 nan 0.000 0.445 325 D N 2.762 123.106 120.400 -0.092 0.000 2.183 325 D HA 0.014 4.653 4.640 -0.001 0.000 0.205 325 D C -0.708 175.272 176.300 -0.534 0.000 0.962 325 D CA 1.525 55.335 54.000 -0.316 0.000 0.849 325 D CB 0.252 40.898 40.800 -0.257 0.000 0.978 325 D HN 0.515 nan 8.370 nan 0.000 0.488 326 Y N -1.144 119.146 120.300 -0.017 0.000 2.609 326 Y HA 0.535 5.084 4.550 -0.002 0.000 0.342 326 Y C -0.657 175.244 175.900 0.002 0.000 1.058 326 Y CA -1.354 56.750 58.100 0.007 0.000 1.055 326 Y CB 1.748 40.190 38.460 -0.029 0.000 1.292 326 Y HN -0.344 nan 8.280 nan 0.000 0.476 327 V N 2.776 122.808 119.914 0.198 0.000 2.769 327 V HA 0.658 4.777 4.120 -0.001 0.000 0.312 327 V C -1.776 174.389 176.094 0.119 0.000 1.061 327 V CA -0.894 61.489 62.300 0.137 0.000 0.931 327 V CB 1.930 33.798 31.823 0.075 0.000 1.010 327 V HN 0.626 nan 8.190 nan 0.000 0.433 328 L N 6.534 127.878 121.223 0.202 0.000 2.294 328 L HA 0.929 5.268 4.340 -0.001 0.000 0.283 328 L C 0.265 177.320 176.870 0.308 0.000 1.015 328 L CA 0.929 55.889 54.840 0.200 0.000 0.831 328 L CB 0.817 42.945 42.059 0.115 0.000 1.217 328 L HN 0.826 nan 8.230 nan 0.000 0.420 329 G N 3.044 111.966 108.800 0.202 0.000 3.211 329 G HA2 0.654 4.614 3.960 -0.001 0.000 0.167 329 G HA3 0.654 4.614 3.960 -0.001 0.000 0.167 329 G C -1.478 173.625 174.900 0.338 0.000 1.212 329 G CA 0.013 45.293 45.100 0.300 0.000 0.928 329 G HN 0.655 nan 8.290 nan 0.000 0.607 330 D N -3.171 117.424 120.400 0.326 0.000 2.596 330 D HA 0.538 5.177 4.640 -0.001 0.000 0.262 330 D C 0.916 177.370 176.300 0.256 0.000 1.210 330 D CA 0.108 54.280 54.000 0.286 0.000 0.873 330 D CB 1.152 42.154 40.800 0.338 0.000 1.408 330 D HN 0.619 nan 8.370 nan 0.000 0.441 331 A N -0.119 122.861 122.820 0.266 0.000 2.032 331 A HA -0.093 4.226 4.320 -0.001 0.000 0.221 331 A C 1.708 179.374 177.584 0.138 0.000 1.165 331 A CA 1.314 53.462 52.037 0.186 0.000 0.645 331 A CB -0.995 18.123 19.000 0.197 0.000 0.807 331 A HN 0.533 nan 8.150 nan 0.000 0.453 332 F N -0.213 119.807 119.950 0.117 0.000 2.179 332 F HA 0.222 4.748 4.527 -0.002 0.000 0.292 332 F C 2.448 178.233 175.800 -0.025 0.000 1.089 332 F CA 1.206 59.187 58.000 -0.031 0.000 1.295 332 F CB -0.085 38.865 39.000 -0.083 0.000 1.041 332 F HN 0.207 nan 8.300 nan 0.000 0.487 333 A N -0.665 122.268 122.820 0.188 0.000 2.081 333 A HA 0.198 4.517 4.320 -0.001 0.000 0.214 333 A C 0.804 178.348 177.584 -0.067 0.000 1.158 333 A CA 0.415 52.393 52.037 -0.099 0.000 0.724 333 A CB -0.253 18.462 19.000 -0.476 0.000 0.826 333 A HN 0.309 nan 8.150 nan 0.000 0.463 334 L N 1.624 122.904 121.223 0.095 0.000 2.488 334 L HA 0.324 4.663 4.340 -0.001 0.000 0.250 334 L C -2.756 174.120 176.870 0.010 0.000 1.280 334 L CA -2.314 52.588 54.840 0.104 0.000 0.929 334 L CB 2.180 44.291 42.059 0.086 0.000 1.200 334 L HN 0.076 nan 8.230 nan 0.000 0.495 335 P HA 0.315 nan 4.420 nan 0.000 0.276 335 P C -2.337 174.940 177.300 -0.038 0.000 1.261 335 P CA -1.442 61.620 63.100 -0.063 0.000 0.800 335 P CB 0.366 31.982 31.700 -0.140 0.000 1.066 336 P HA -0.216 nan 4.420 nan 0.000 0.216 336 P C 1.388 178.671 177.300 -0.028 0.000 1.154 336 P CA 2.395 65.472 63.100 -0.039 0.000 0.865 336 P CB -0.680 30.999 31.700 -0.035 0.000 0.789 337 A N -1.957 120.858 122.820 -0.009 0.000 2.178 337 A HA -0.112 4.207 4.320 -0.001 0.000 0.218 337 A C 1.951 179.604 177.584 0.114 0.000 1.157 337 A CA 1.077 53.135 52.037 0.035 0.000 0.689 337 A CB -1.148 17.878 19.000 0.044 0.000 0.787 337 A HN 0.127 nan 8.150 nan 0.000 0.465 338 L N -1.051 120.239 121.223 0.110 0.000 2.408 338 L HA 0.160 4.499 4.340 -0.001 0.000 0.215 338 L C 1.906 178.891 176.870 0.191 0.000 1.081 338 L CA 1.099 56.092 54.840 0.256 0.000 0.840 338 L CB -0.498 41.709 42.059 0.248 0.000 1.002 338 L HN 0.430 nan 8.230 nan 0.000 0.468 339 E N 0.235 120.448 120.200 0.021 0.000 2.086 339 E HA -0.272 4.077 4.350 -0.001 0.000 0.205 339 E C -0.706 175.827 176.600 -0.111 0.000 1.027 339 E CA 2.154 58.531 56.400 -0.038 0.000 0.830 339 E CB -1.068 28.577 29.700 -0.091 0.000 0.751 339 E HN 0.398 nan 8.360 nan 0.000 0.456 340 P HA -0.163 nan 4.420 nan 0.000 0.222 340 P C 0.264 177.111 177.300 -0.755 0.000 1.142 340 P CA 1.194 63.918 63.100 -0.626 0.000 0.788 340 P CB -0.039 31.078 31.700 -0.971 0.000 0.767 341 F N -3.988 116.028 119.950 0.110 0.000 2.647 341 F HA 0.268 4.794 4.527 -0.002 0.000 0.300 341 F C 0.487 176.279 175.800 -0.014 0.000 1.106 341 F CA -0.774 57.258 58.000 0.054 0.000 1.313 341 F CB -0.746 38.270 39.000 0.027 0.000 1.007 341 F HN -0.150 nan 8.300 nan 0.000 0.536 342 Y N 0.010 120.340 120.300 0.050 0.000 2.377 342 Y HA 0.262 4.811 4.550 -0.002 0.000 0.339 342 Y C 1.647 177.543 175.900 -0.007 0.000 1.011 342 Y CA -0.600 57.518 58.100 0.030 0.000 1.093 342 Y CB 1.732 40.198 38.460 0.009 0.000 1.201 342 Y HN 0.010 nan 8.280 nan 0.000 0.455 343 S N 0.345 116.082 115.700 0.063 0.000 2.395 343 S HA -0.034 4.435 4.470 -0.001 0.000 0.225 343 S C 0.302 174.914 174.600 0.021 0.000 1.027 343 S CA 0.188 58.392 58.200 0.006 0.000 0.965 343 S CB -0.250 62.911 63.200 -0.064 0.000 0.812 343 S HN 0.666 nan 8.310 nan 0.000 0.482 344 E N 1.401 121.638 120.200 0.062 0.000 2.438 344 E HA 0.204 4.553 4.350 -0.001 0.000 0.261 344 E C -0.137 176.518 176.600 0.091 0.000 1.103 344 E CA 0.172 56.600 56.400 0.047 0.000 0.959 344 E CB 0.075 29.840 29.700 0.109 0.000 0.958 344 E HN 0.433 nan 8.360 nan 0.000 0.447 345 H N 0.087 119.092 119.070 -0.108 0.000 2.652 345 H HA 0.219 4.774 4.556 -0.002 0.000 0.349 345 H C -0.891 174.497 175.328 0.099 0.000 1.099 345 H CA -0.271 55.759 56.048 -0.031 0.000 1.417 345 H CB 0.534 30.224 29.762 -0.119 0.000 1.457 345 H HN 0.122 nan 8.280 nan 0.000 0.568 346 V N 7.120 126.926 119.914 -0.181 0.000 2.364 346 V HA 0.190 4.309 4.120 -0.001 0.000 0.272 346 V C 0.132 176.189 176.094 -0.060 0.000 1.036 346 V CA -0.488 61.740 62.300 -0.119 0.000 0.880 346 V CB 0.559 32.260 31.823 -0.204 0.000 0.991 346 V HN 0.538 nan 8.190 nan 0.000 0.460 347 L N 5.880 127.115 121.223 0.020 0.000 2.344 347 L HA 0.707 5.046 4.340 -0.001 0.000 0.272 347 L C 0.145 177.015 176.870 -0.001 0.000 1.035 347 L CA -0.688 54.148 54.840 -0.007 0.000 0.807 347 L CB 1.653 43.678 42.059 -0.058 0.000 1.237 347 L HN 0.529 nan 8.230 nan 0.000 0.442 348 R N 1.510 122.008 120.500 -0.003 0.000 2.673 348 R HA 0.540 4.879 4.340 -0.001 0.000 0.281 348 R C -1.288 175.016 176.300 0.006 0.000 0.991 348 R CA -0.989 55.130 56.100 0.033 0.000 0.896 348 R CB 2.302 32.630 30.300 0.047 0.000 1.201 348 R HN 0.303 nan 8.270 nan 0.000 0.457 349 L N 1.440 122.675 121.223 0.021 0.000 2.475 349 L HA 0.125 4.464 4.340 -0.001 0.000 0.253 349 L C 1.552 178.388 176.870 -0.056 0.000 1.198 349 L CA 0.544 55.347 54.840 -0.062 0.000 0.814 349 L CB 0.620 42.604 42.059 -0.125 0.000 1.134 349 L HN 0.621 nan 8.230 nan 0.000 0.478 350 Q N -0.709 119.026 119.800 -0.109 0.000 2.398 350 Q HA 0.167 4.507 4.340 -0.001 0.000 0.204 350 Q C 0.549 176.513 176.000 -0.060 0.000 0.932 350 Q CA 0.651 56.420 55.803 -0.056 0.000 0.916 350 Q CB 0.402 29.106 28.738 -0.056 0.000 1.024 350 Q HN 0.884 nan 8.270 nan 0.000 0.504 351 G N -0.538 108.152 108.800 -0.182 0.000 3.211 351 G HA2 0.635 4.594 3.960 -0.001 0.000 0.167 351 G HA3 0.635 4.594 3.960 -0.001 0.000 0.167 351 G C -1.077 173.458 174.900 -0.608 0.000 1.212 351 G CA -0.220 44.683 45.100 -0.329 0.000 0.928 351 G HN 0.239 nan 8.290 nan 0.000 0.607 352 A N -0.579 121.822 122.820 -0.699 0.000 2.483 352 A HA 0.424 4.743 4.320 -0.001 0.000 0.238 352 A C 0.868 178.490 177.584 0.064 0.000 1.070 352 A CA 0.186 52.003 52.037 -0.366 0.000 0.770 352 A CB -0.250 18.621 19.000 -0.215 0.000 1.008 352 A HN 1.240 nan 8.150 nan 0.000 0.497 353 F N -0.218 119.847 119.950 0.193 0.000 2.641 353 F HA 0.096 4.622 4.527 -0.002 0.000 0.298 353 F C 0.793 176.985 175.800 0.653 0.000 1.146 353 F CA 0.654 58.935 58.000 0.469 0.000 1.464 353 F CB 0.045 39.389 39.000 0.573 0.000 1.101 353 F HN 0.574 nan 8.300 nan 0.000 0.585 354 Q N 3.009 122.593 119.800 -0.360 0.000 2.325 354 Q HA 0.388 4.727 4.340 -0.001 0.000 0.270 354 Q C -2.723 173.078 176.000 -0.332 0.000 1.020 354 Q CA -2.599 52.845 55.803 -0.600 0.000 0.785 354 Q CB 2.461 30.549 28.738 -1.082 0.000 1.259 354 Q HN 0.010 nan 8.270 nan 0.000 0.452 355 P HA 0.374 nan 4.420 nan 0.000 0.287 355 P C -1.289 175.691 177.300 -0.533 0.000 1.296 355 P CA -0.358 62.199 63.100 -0.906 0.000 0.811 355 P CB 1.514 32.401 31.700 -1.356 0.000 1.211 356 S N -2.265 113.160 115.700 -0.457 0.000 2.588 356 S HA 0.308 4.777 4.470 -0.001 0.000 0.269 356 S C -1.179 173.199 174.600 -0.371 0.000 1.157 356 S CA -0.771 57.229 58.200 -0.333 0.000 0.824 356 S CB 0.634 63.719 63.200 -0.190 0.000 1.126 356 S HN 0.325 nan 8.310 nan 0.000 0.464 357 D N 1.751 121.946 120.400 -0.341 0.000 2.398 357 D HA 0.253 4.892 4.640 -0.001 0.000 0.250 357 D C 1.368 177.344 176.300 -0.539 0.000 1.287 357 D CA 0.206 54.004 54.000 -0.337 0.000 0.992 357 D CB 0.453 41.125 40.800 -0.213 0.000 1.071 357 D HN 0.669 nan 8.370 nan 0.000 0.514 358 T N -0.789 113.417 114.554 -0.581 0.000 3.219 358 T HA -0.034 4.315 4.350 -0.001 0.000 0.249 358 T C 1.483 175.993 174.700 -0.316 0.000 1.099 358 T CA 0.274 61.855 62.100 -0.865 0.000 0.988 358 T CB -0.177 68.292 68.868 -0.665 0.000 0.999 358 T HN 0.184 nan 8.240 nan 0.000 0.550 359 S N 0.266 115.861 115.700 -0.175 0.000 2.548 359 S HA 0.215 4.684 4.470 -0.001 0.000 0.215 359 S C 0.837 175.487 174.600 0.082 0.000 0.976 359 S CA -0.775 57.415 58.200 -0.016 0.000 0.908 359 S CB -0.354 62.823 63.200 -0.038 0.000 0.781 359 S HN 0.459 nan 8.310 nan 0.000 0.519 360 R N 1.748 122.319 120.500 0.118 0.000 2.343 360 R HA 0.319 4.658 4.340 -0.001 0.000 0.326 360 R C -1.009 175.490 176.300 0.333 0.000 1.055 360 R CA -0.192 56.047 56.100 0.231 0.000 0.961 360 R CB 0.760 31.208 30.300 0.247 0.000 0.978 360 R HN 0.178 nan 8.270 nan 0.000 0.443 361 V N 5.387 125.403 119.914 0.170 0.000 2.427 361 V HA 0.049 4.168 4.120 -0.001 0.000 0.268 361 V C 0.396 176.530 176.094 0.067 0.000 1.046 361 V CA -0.409 61.948 62.300 0.094 0.000 0.970 361 V CB 1.331 33.184 31.823 0.050 0.000 1.001 361 V HN 0.435 nan 8.190 nan 0.000 0.476 362 V N 5.855 125.775 119.914 0.010 0.000 2.427 362 V HA 0.439 4.558 4.120 -0.001 0.000 0.268 362 V C 0.917 176.991 176.094 -0.034 0.000 1.046 362 V CA -0.274 62.016 62.300 -0.017 0.000 0.970 362 V CB 0.671 32.444 31.823 -0.083 0.000 1.001 362 V HN 0.993 nan 8.190 nan 0.000 0.476 363 A N 5.279 128.088 122.820 -0.019 0.000 2.366 363 A HA 0.337 4.657 4.320 -0.001 0.000 0.250 363 A C 0.475 178.032 177.584 -0.045 0.000 1.099 363 A CA -0.328 51.694 52.037 -0.024 0.000 0.794 363 A CB 0.189 19.182 19.000 -0.010 0.000 1.056 363 A HN 0.754 nan 8.150 nan 0.000 0.499 364 E N 1.211 121.385 120.200 -0.044 0.000 2.259 364 E HA 0.336 4.685 4.350 -0.001 0.000 0.281 364 E C -2.111 174.455 176.600 -0.056 0.000 1.027 364 E CA -1.429 54.933 56.400 -0.064 0.000 0.838 364 E CB 0.698 30.370 29.700 -0.048 0.000 1.066 364 E HN 0.467 nan 8.360 nan 0.000 0.401 365 P HA 0.269 nan 4.420 nan 0.000 0.274 365 P C -2.434 174.893 177.300 0.044 0.000 1.256 365 P CA -1.267 61.811 63.100 -0.036 0.000 0.795 365 P CB -0.449 31.188 31.700 -0.105 0.000 1.038 366 P HA -0.029 nan 4.420 nan 0.000 0.272 366 P C 0.278 177.709 177.300 0.218 0.000 1.243 366 P CA 0.163 63.334 63.100 0.119 0.000 0.803 366 P CB -0.048 31.716 31.700 0.107 0.000 0.974 367 S N 0.059 115.841 115.700 0.136 0.000 2.596 367 S HA 0.126 4.595 4.470 -0.001 0.000 0.260 367 S C 1.209 175.795 174.600 -0.023 0.000 1.336 367 S CA -0.304 57.961 58.200 0.108 0.000 0.993 367 S CB 0.386 63.599 63.200 0.021 0.000 0.923 367 S HN 0.273 nan 8.310 nan 0.000 0.567 368 R N 0.313 120.613 120.500 -0.335 0.000 2.091 368 R HA -0.087 4.252 4.340 -0.001 0.000 0.238 368 R C 2.443 178.559 176.300 -0.306 0.000 1.136 368 R CA 2.003 57.746 56.100 -0.594 0.000 0.959 368 R CB -1.265 28.679 30.300 -0.595 0.000 0.856 368 R HN 0.826 nan 8.270 nan 0.000 0.437 369 T N 1.124 115.567 114.554 -0.184 0.000 2.708 369 T HA -0.185 4.164 4.350 -0.001 0.000 0.266 369 T C 1.679 176.333 174.700 -0.076 0.000 1.037 369 T CA 1.260 63.288 62.100 -0.120 0.000 1.146 369 T CB -0.193 68.628 68.868 -0.079 0.000 0.865 369 T HN 0.371 nan 8.240 nan 0.000 0.435 370 Q N -0.224 119.552 119.800 -0.041 0.000 2.439 370 Q HA -0.001 4.338 4.340 -0.001 0.000 0.211 370 Q C 1.654 177.670 176.000 0.028 0.000 0.978 370 Q CA 0.620 56.426 55.803 0.004 0.000 0.897 370 Q CB -0.335 28.421 28.738 0.029 0.000 0.956 370 Q HN 0.510 nan 8.270 nan 0.000 0.483 371 C N -0.333 118.963 119.300 -0.006 0.000 2.855 371 C HA 0.318 4.778 4.460 -0.001 0.000 0.279 371 C C 1.566 176.534 174.990 -0.036 0.000 1.270 371 C CA 0.170 59.215 59.018 0.045 0.000 1.702 371 C CB -0.651 27.131 27.740 0.070 0.000 1.949 371 C HN 0.763 nan 8.230 nan 0.000 0.618 372 G N 1.159 109.917 108.800 -0.069 0.000 2.189 372 G HA2 -0.254 3.705 3.960 -0.001 0.000 0.267 372 G HA3 -0.254 3.705 3.960 -0.001 0.000 0.267 372 G C 0.039 174.820 174.900 -0.199 0.000 0.975 372 G CA 0.187 45.237 45.100 -0.082 0.000 0.644 372 G HN 0.544 nan 8.290 nan 0.000 0.537 373 L N 1.877 122.906 121.223 -0.324 0.000 2.375 373 L HA 0.457 4.796 4.340 -0.001 0.000 0.271 373 L C -1.282 175.423 176.870 -0.275 0.000 1.107 373 L CA -2.257 52.338 54.840 -0.409 0.000 0.806 373 L CB 0.790 42.472 42.059 -0.628 0.000 1.146 373 L HN -0.069 nan 8.230 nan 0.000 0.447 374 P HA 0.055 nan 4.420 nan 0.000 0.272 374 P C -0.278 176.912 177.300 -0.184 0.000 1.240 374 P CA -0.237 62.761 63.100 -0.170 0.000 0.791 374 P CB 0.704 32.321 31.700 -0.137 0.000 0.978 375 E N -0.020 120.096 120.200 -0.140 0.000 2.170 375 E HA -0.079 4.270 4.350 -0.001 0.000 0.191 375 E C 0.263 176.792 176.600 -0.117 0.000 0.981 375 E CA 0.817 57.137 56.400 -0.133 0.000 0.830 375 E CB 0.096 29.738 29.700 -0.097 0.000 0.775 375 E HN 0.482 nan 8.360 nan 0.000 0.470 376 Q N -0.690 119.050 119.800 -0.100 0.000 2.359 376 Q HA 0.602 4.942 4.340 -0.001 0.000 0.275 376 Q C -0.440 175.505 176.000 -0.090 0.000 1.082 376 Q CA 0.006 55.757 55.803 -0.086 0.000 0.849 376 Q CB 2.440 31.140 28.738 -0.064 0.000 1.377 376 Q HN 0.214 nan 8.270 nan 0.000 0.452 377 G N -0.976 107.778 108.800 -0.077 0.000 2.640 377 G HA2 -0.021 3.938 3.960 -0.001 0.000 0.686 377 G HA3 -0.021 3.938 3.960 -0.001 0.000 0.686 377 G C -1.320 173.535 174.900 -0.074 0.000 1.229 377 G CA -0.876 44.180 45.100 -0.074 0.000 0.796 377 G HN 0.458 nan 8.290 nan 0.000 0.654 378 V N 1.099 120.981 119.914 -0.055 0.000 2.555 378 V HA 0.496 4.616 4.120 -0.001 0.000 0.286 378 V C 1.101 177.169 176.094 -0.044 0.000 1.044 378 V CA 0.100 62.377 62.300 -0.039 0.000 1.026 378 V CB 1.395 33.206 31.823 -0.020 0.000 0.981 378 V HN 1.684 nan 8.190 nan 0.000 0.480 379 V N 7.630 127.527 119.914 -0.029 0.000 2.328 379 V HA 0.548 4.667 4.120 -0.001 0.000 0.278 379 V C -0.400 175.717 176.094 0.039 0.000 1.021 379 V CA -0.323 61.963 62.300 -0.023 0.000 0.838 379 V CB 0.946 32.719 31.823 -0.083 0.000 0.999 379 V HN 0.706 nan 8.190 nan 0.000 0.447 380 L N 7.722 128.954 121.223 0.015 0.000 2.312 380 L HA 0.762 5.101 4.340 -0.001 0.000 0.281 380 L C 0.216 177.065 176.870 -0.035 0.000 1.070 380 L CA -0.209 54.630 54.840 -0.002 0.000 0.805 380 L CB 1.391 43.446 42.059 -0.007 0.000 1.174 380 L HN 0.927 nan 8.230 nan 0.000 0.434 381 C N 1.096 120.295 119.300 -0.168 0.000 3.171 381 C HA 0.865 5.325 4.460 -0.001 0.000 0.308 381 C C -0.717 173.774 174.990 -0.831 0.000 1.334 381 C CA -1.325 57.435 59.018 -0.431 0.000 1.473 381 C CB 1.245 28.627 27.740 -0.596 0.000 1.866 381 C HN 1.056 nan 8.230 nan 0.000 0.465 382 C N 3.533 122.280 119.300 -0.923 0.000 2.727 382 C HA 0.662 5.121 4.460 -0.001 0.000 0.369 382 C C -0.609 174.108 174.990 -0.454 0.000 1.067 382 C CA -0.407 57.980 59.018 -1.052 0.000 1.273 382 C CB -0.379 27.086 27.740 -0.459 0.000 1.778 382 C HN 0.876 nan 8.230 nan 0.000 0.467 383 F N 3.817 123.663 119.950 -0.174 0.000 2.713 383 F HA 0.340 4.867 4.527 -0.000 0.000 0.294 383 F C 1.209 177.091 175.800 0.136 0.000 1.152 383 F CA -0.450 57.578 58.000 0.046 0.000 1.385 383 F CB -0.796 38.316 39.000 0.187 0.000 0.981 383 F HN 0.569 nan 8.300 nan 0.000 0.514 384 N N 0.620 119.487 118.700 0.278 0.000 2.371 384 N HA -0.049 4.690 4.740 -0.001 0.000 0.243 384 N C 0.427 175.920 175.510 -0.028 0.000 1.287 384 N CA 0.034 53.172 53.050 0.145 0.000 0.911 384 N CB 0.313 38.865 38.487 0.107 0.000 1.142 384 N HN 0.073 nan 8.380 nan 0.000 0.451 385 N N -0.221 118.347 118.700 -0.220 0.000 2.441 385 N HA -0.067 4.672 4.740 -0.001 0.000 0.251 385 N C 1.099 176.326 175.510 -0.472 0.000 1.242 385 N CA 0.139 52.930 53.050 -0.430 0.000 0.898 385 N CB 0.580 38.566 38.487 -0.836 0.000 1.100 385 N HN 0.542 nan 8.380 nan 0.000 0.443 386 S N 2.727 118.242 115.700 -0.309 0.000 2.387 386 S HA -0.257 4.212 4.470 -0.001 0.000 0.230 386 S C 1.799 176.328 174.600 -0.118 0.000 1.035 386 S CA 1.563 59.671 58.200 -0.153 0.000 1.014 386 S CB -0.783 62.364 63.200 -0.087 0.000 0.836 386 S HN 0.762 nan 8.310 nan 0.000 0.466 387 Y N 1.564 121.867 120.300 0.006 0.000 2.574 387 Y HA 0.317 4.865 4.550 -0.002 0.000 0.294 387 Y C 1.817 177.715 175.900 -0.004 0.000 1.142 387 Y CA 0.229 58.340 58.100 0.017 0.000 1.314 387 Y CB -0.603 37.880 38.460 0.038 0.000 0.991 387 Y HN 0.182 nan 8.280 nan 0.000 0.555 388 K N 0.829 121.095 120.400 -0.223 0.000 2.314 388 K HA 0.208 4.528 4.320 -0.001 0.000 0.198 388 K C 0.076 176.668 176.600 -0.012 0.000 1.045 388 K CA 0.107 56.330 56.287 -0.106 0.000 0.988 388 K CB 0.164 32.506 32.500 -0.264 0.000 0.783 388 K HN 0.302 nan 8.250 nan 0.000 0.484 389 L N 3.961 125.190 121.223 0.011 0.000 2.385 389 L HA 0.089 4.428 4.340 -0.001 0.000 0.285 389 L C -0.193 176.774 176.870 0.162 0.000 1.125 389 L CA -0.679 54.218 54.840 0.095 0.000 0.890 389 L CB -0.451 41.691 42.059 0.138 0.000 1.251 389 L HN 0.198 nan 8.230 nan 0.000 0.445 390 N N 3.480 122.148 118.700 -0.053 0.000 2.592 390 N HA 0.516 5.255 4.740 -0.001 0.000 0.292 390 N C -2.316 172.632 175.510 -0.936 0.000 1.260 390 N CA -2.384 50.394 53.050 -0.453 0.000 0.910 390 N CB 0.116 38.388 38.487 -0.358 0.000 1.257 390 N HN -0.097 nan 8.380 nan 0.000 0.569 391 P HA -0.200 nan 4.420 nan 0.000 0.216 391 P C 1.254 178.311 177.300 -0.405 0.000 1.150 391 P CA 1.646 64.021 63.100 -1.210 0.000 0.837 391 P CB 0.260 31.419 31.700 -0.901 0.000 0.786 392 Q N -0.501 119.113 119.800 -0.310 0.000 2.049 392 Q HA -0.104 4.235 4.340 -0.001 0.000 0.198 392 Q C 2.025 177.963 176.000 -0.104 0.000 0.971 392 Q CA 1.841 57.558 55.803 -0.144 0.000 0.833 392 Q CB -0.395 28.270 28.738 -0.121 0.000 0.896 392 Q HN 0.100 nan 8.270 nan 0.000 0.434 393 S N 0.404 116.039 115.700 -0.109 0.000 2.368 393 S HA -0.110 4.359 4.470 -0.001 0.000 0.225 393 S C 1.917 176.520 174.600 0.005 0.000 1.030 393 S CA 1.153 59.308 58.200 -0.076 0.000 0.999 393 S CB -0.105 63.078 63.200 -0.028 0.000 0.844 393 S HN 0.370 nan 8.310 nan 0.000 0.459 394 M N 1.482 121.118 119.600 0.061 0.000 2.099 394 M HA 0.046 4.525 4.480 -0.001 0.000 0.262 394 M C 2.584 179.089 176.300 0.341 0.000 1.067 394 M CA 1.417 56.859 55.300 0.237 0.000 1.124 394 M CB -1.803 31.004 32.600 0.346 0.000 1.353 394 M HN 0.357 nan 8.290 nan 0.000 0.410 395 A N 1.361 124.399 122.820 0.364 0.000 1.884 395 A HA -0.255 4.065 4.320 -0.001 0.000 0.219 395 A C 2.207 179.877 177.584 0.143 0.000 1.197 395 A CA 2.667 54.875 52.037 0.286 0.000 0.637 395 A CB -0.894 18.234 19.000 0.214 0.000 0.827 395 A HN 0.651 nan 8.150 nan 0.000 0.450 396 R N -0.987 119.564 120.500 0.086 0.000 2.189 396 R HA 0.073 4.413 4.340 -0.001 0.000 0.218 396 R C 1.963 178.372 176.300 0.180 0.000 1.074 396 R CA 1.457 57.608 56.100 0.085 0.000 0.991 396 R CB -0.448 29.828 30.300 -0.040 0.000 0.883 396 R HN 0.513 nan 8.270 nan 0.000 0.457 397 M N 1.121 120.824 119.600 0.172 0.000 2.099 397 M HA -0.062 4.417 4.480 -0.001 0.000 0.262 397 M C 2.278 178.660 176.300 0.136 0.000 1.067 397 M CA 1.642 57.057 55.300 0.192 0.000 1.124 397 M CB -0.286 32.408 32.600 0.157 0.000 1.353 397 M HN 0.117 nan 8.290 nan 0.000 0.410 398 L N 0.029 121.329 121.223 0.129 0.000 2.042 398 L HA -0.204 4.135 4.340 -0.001 0.000 0.210 398 L C 2.835 179.734 176.870 0.049 0.000 1.076 398 L CA 1.284 56.171 54.840 0.078 0.000 0.749 398 L CB -0.950 41.141 42.059 0.054 0.000 0.893 398 L HN 0.321 nan 8.230 nan 0.000 0.432 399 A N -0.428 122.429 122.820 0.062 0.000 1.978 399 A HA -0.151 4.168 4.320 -0.001 0.000 0.220 399 A C 2.340 179.955 177.584 0.052 0.000 1.170 399 A CA 1.761 53.827 52.037 0.048 0.000 0.636 399 A CB -0.774 18.263 19.000 0.061 0.000 0.810 399 A HN 0.219 nan 8.150 nan 0.000 0.448 400 V N 0.299 120.259 119.914 0.077 0.000 2.295 400 V HA -0.263 3.856 4.120 -0.001 0.000 0.246 400 V C 2.550 178.660 176.094 0.026 0.000 1.049 400 V CA 1.924 64.256 62.300 0.054 0.000 1.024 400 V CB -0.741 31.122 31.823 0.065 0.000 0.648 400 V HN 0.588 nan 8.190 nan 0.000 0.447 401 L N -0.658 120.580 121.223 0.026 0.000 2.046 401 L HA -0.184 4.155 4.340 -0.001 0.000 0.208 401 L C 2.787 179.655 176.870 -0.002 0.000 1.077 401 L CA 1.671 56.515 54.840 0.008 0.000 0.747 401 L CB -0.747 41.317 42.059 0.008 0.000 0.896 401 L HN 0.269 nan 8.230 nan 0.000 0.432 402 R N 0.235 120.734 120.500 -0.003 0.000 2.096 402 R HA -0.165 4.174 4.340 -0.001 0.000 0.235 402 R C 1.958 178.252 176.300 -0.010 0.000 1.127 402 R CA 1.341 57.433 56.100 -0.013 0.000 0.968 402 R CB -0.135 30.155 30.300 -0.017 0.000 0.861 402 R HN 0.482 nan 8.270 nan 0.000 0.440 403 E N -0.161 120.038 120.200 -0.002 0.000 2.435 403 E HA 0.013 4.362 4.350 -0.001 0.000 0.195 403 E C -0.389 176.207 176.600 -0.007 0.000 1.029 403 E CA 0.245 56.644 56.400 -0.003 0.000 0.865 403 E CB 0.701 30.402 29.700 0.003 0.000 0.833 403 E HN -0.020 nan 8.360 nan 0.000 0.510 404 V N 2.169 122.078 119.914 -0.008 0.000 2.349 404 V HA 0.102 4.221 4.120 -0.001 0.000 0.284 404 V C -1.845 174.239 176.094 -0.016 0.000 1.014 404 V CA -1.406 60.887 62.300 -0.012 0.000 0.826 404 V CB 1.471 33.287 31.823 -0.012 0.000 1.009 404 V HN -0.066 nan 8.190 nan 0.000 0.431 405 P HA -0.161 nan 4.420 nan 0.000 0.214 405 P C 0.533 177.818 177.300 -0.025 0.000 1.172 405 P CA 1.549 64.637 63.100 -0.020 0.000 0.925 405 P CB 0.277 31.965 31.700 -0.020 0.000 0.793 406 D N -1.788 118.594 120.400 -0.029 0.000 2.388 406 D HA 0.057 4.696 4.640 -0.001 0.000 0.221 406 D C 0.083 176.356 176.300 -0.045 0.000 1.133 406 D CA 0.012 53.989 54.000 -0.037 0.000 0.831 406 D CB -0.260 40.516 40.800 -0.040 0.000 0.962 406 D HN 0.181 nan 8.370 nan 0.000 0.502 407 S N -0.710 114.968 115.700 -0.037 0.000 2.603 407 S HA 0.497 4.967 4.470 -0.001 0.000 0.268 407 S C 0.093 174.664 174.600 -0.047 0.000 1.317 407 S CA -0.725 57.451 58.200 -0.040 0.000 1.012 407 S CB 1.954 65.139 63.200 -0.025 0.000 0.926 407 S HN -0.056 nan 8.310 nan 0.000 0.539 408 V N 1.502 121.381 119.914 -0.058 0.000 2.925 408 V HA 0.584 4.703 4.120 -0.001 0.000 0.311 408 V C -1.194 174.868 176.094 -0.054 0.000 1.104 408 V CA -0.889 61.366 62.300 -0.075 0.000 0.954 408 V CB 2.012 33.758 31.823 -0.128 0.000 1.022 408 V HN 0.889 nan 8.190 nan 0.000 0.427 409 L N 4.596 125.790 121.223 -0.048 0.000 2.313 409 L HA 0.662 5.002 4.340 -0.001 0.000 0.283 409 L C -1.640 175.238 176.870 0.014 0.000 1.013 409 L CA -0.052 54.775 54.840 -0.021 0.000 0.816 409 L CB 1.515 43.562 42.059 -0.020 0.000 1.236 409 L HN 0.742 nan 8.230 nan 0.000 0.419 410 W N 7.543 128.732 121.300 -0.185 0.000 2.318 410 W HA 0.627 5.287 4.660 -0.001 0.000 0.315 410 W C -1.715 174.754 176.519 -0.084 0.000 1.033 410 W CA -1.207 56.059 57.345 -0.131 0.000 1.275 410 W CB 0.971 30.381 29.460 -0.084 0.000 1.250 410 W HN 0.406 nan 8.180 nan 0.000 0.421 411 L N 5.281 126.593 121.223 0.148 0.000 2.323 411 L HA 0.471 4.810 4.340 -0.001 0.000 0.265 411 L C 0.229 177.247 176.870 0.247 0.000 1.012 411 L CA -1.462 53.461 54.840 0.138 0.000 0.820 411 L CB 1.872 43.952 42.059 0.036 0.000 1.334 411 L HN 0.067 nan 8.230 nan 0.000 0.427 412 L N 1.541 122.925 121.223 0.270 0.000 2.462 412 L HA 0.059 4.398 4.340 -0.001 0.000 0.272 412 L C 0.778 177.782 176.870 0.225 0.000 1.166 412 L CA 0.306 55.216 54.840 0.117 0.000 0.880 412 L CB 1.244 43.343 42.059 0.067 0.000 1.142 412 L HN 0.736 nan 8.230 nan 0.000 0.473 413 S N 3.291 119.113 115.700 0.203 0.000 2.562 413 S HA 0.429 4.898 4.470 -0.001 0.000 0.281 413 S C 0.111 174.731 174.600 0.033 0.000 1.333 413 S CA -0.129 58.178 58.200 0.179 0.000 1.052 413 S CB 1.088 64.363 63.200 0.125 0.000 0.884 413 S HN 0.750 nan 8.310 nan 0.000 0.506 414 G N 3.051 111.820 108.800 -0.052 0.000 2.600 414 G HA2 0.670 4.629 3.960 -0.001 0.000 0.303 414 G HA3 0.670 4.629 3.960 -0.001 0.000 0.303 414 G C -3.103 171.734 174.900 -0.105 0.000 1.253 414 G CA -1.813 43.245 45.100 -0.071 0.000 0.974 414 G HN 0.619 nan 8.290 nan 0.000 0.483 415 P HA 0.273 nan 4.420 nan 0.000 0.270 415 P C 1.202 178.430 177.300 -0.119 0.000 1.227 415 P CA 1.101 64.148 63.100 -0.088 0.000 0.788 415 P CB 0.491 32.122 31.700 -0.116 0.000 0.926 416 G N 1.803 110.563 108.800 -0.066 0.000 2.672 416 G HA2 -0.306 3.653 3.960 -0.001 0.000 0.324 416 G HA3 -0.306 3.653 3.960 -0.001 0.000 0.324 416 G C 0.431 175.269 174.900 -0.103 0.000 1.286 416 G CA 0.264 45.327 45.100 -0.061 0.000 1.004 416 G HN 0.556 nan 8.290 nan 0.000 0.548 417 E N 1.494 121.620 120.200 -0.124 0.000 2.451 417 E HA 0.425 4.774 4.350 -0.001 0.000 0.194 417 E C 2.299 178.774 176.600 -0.208 0.000 1.027 417 E CA 0.881 57.191 56.400 -0.150 0.000 0.914 417 E CB 0.008 29.639 29.700 -0.116 0.000 1.054 417 E HN 0.750 nan 8.360 nan 0.000 0.461 418 A N 1.901 124.585 122.820 -0.227 0.000 1.894 418 A HA -0.296 4.023 4.320 -0.001 0.000 0.220 418 A C 1.691 179.088 177.584 -0.312 0.000 1.237 418 A CA 2.284 54.166 52.037 -0.259 0.000 0.660 418 A CB -0.417 18.454 19.000 -0.214 0.000 0.835 418 A HN 0.129 nan 8.150 nan 0.000 0.461 419 D N -0.324 119.810 120.400 -0.444 0.000 2.149 419 D HA -0.028 4.611 4.640 -0.001 0.000 0.198 419 D C 2.163 178.153 176.300 -0.517 0.000 0.990 419 D CA 1.567 55.045 54.000 -0.870 0.000 0.839 419 D CB -0.533 39.462 40.800 -1.341 0.000 0.948 419 D HN 0.512 nan 8.370 nan 0.000 0.460 420 A N 0.940 123.576 122.820 -0.306 0.000 1.930 420 A HA -0.141 4.178 4.320 -0.001 0.000 0.217 420 A C 2.163 179.682 177.584 -0.108 0.000 1.175 420 A CA 0.961 52.903 52.037 -0.158 0.000 0.627 420 A CB -0.334 18.589 19.000 -0.128 0.000 0.815 420 A HN 0.097 nan 8.150 nan 0.000 0.443 421 R N -0.917 119.483 120.500 -0.167 0.000 2.081 421 R HA -0.106 4.233 4.340 -0.001 0.000 0.235 421 R C 1.796 178.012 176.300 -0.141 0.000 1.131 421 R CA 1.441 57.424 56.100 -0.195 0.000 0.960 421 R CB -0.506 29.590 30.300 -0.341 0.000 0.856 421 R HN 0.406 nan 8.270 nan 0.000 0.436 422 L N 0.266 121.436 121.223 -0.088 0.000 2.156 422 L HA -0.054 4.285 4.340 -0.001 0.000 0.208 422 L C 2.411 179.435 176.870 0.257 0.000 1.095 422 L CA 1.418 56.328 54.840 0.115 0.000 0.770 422 L CB -0.424 41.779 42.059 0.240 0.000 0.914 422 L HN 0.026 nan 8.230 nan 0.000 0.439 423 R N -0.467 120.163 120.500 0.216 0.000 2.097 423 R HA -0.218 4.121 4.340 -0.001 0.000 0.236 423 R C 2.323 178.721 176.300 0.163 0.000 1.135 423 R CA 1.669 57.890 56.100 0.202 0.000 0.934 423 R CB -0.633 29.757 30.300 0.149 0.000 0.846 423 R HN 0.395 nan 8.270 nan 0.000 0.431 424 A N 0.411 123.297 122.820 0.110 0.000 1.908 424 A HA -0.229 4.090 4.320 -0.001 0.000 0.218 424 A C 1.992 179.700 177.584 0.206 0.000 1.181 424 A CA 1.448 53.555 52.037 0.118 0.000 0.627 424 A CB -0.732 18.304 19.000 0.060 0.000 0.818 424 A HN 0.442 nan 8.150 nan 0.000 0.445 425 F N 0.869 120.858 119.950 0.065 0.000 2.171 425 F HA -0.031 4.495 4.527 -0.001 0.000 0.300 425 F C 2.487 178.370 175.800 0.138 0.000 1.090 425 F CA 1.010 59.078 58.000 0.113 0.000 1.293 425 F CB -0.436 38.639 39.000 0.125 0.000 1.013 425 F HN 0.247 nan 8.300 nan 0.000 0.486 426 A N -0.860 122.056 122.820 0.160 0.000 1.902 426 A HA -0.249 4.070 4.320 -0.001 0.000 0.217 426 A C 2.033 179.612 177.584 -0.009 0.000 1.181 426 A CA 1.929 53.994 52.037 0.047 0.000 0.623 426 A CB -1.331 17.752 19.000 0.138 0.000 0.818 426 A HN 0.617 nan 8.150 nan 0.000 0.443 427 H N -0.091 118.968 119.070 -0.019 0.000 2.321 427 H HA 0.021 4.576 4.556 -0.001 0.000 0.300 427 H C 2.228 177.519 175.328 -0.061 0.000 1.087 427 H CA 2.007 58.040 56.048 -0.024 0.000 1.319 427 H CB -0.237 29.529 29.762 0.007 0.000 1.379 427 H HN 0.395 nan 8.280 nan 0.000 0.501 428 A N 0.195 123.021 122.820 0.009 0.000 1.978 428 A HA -0.173 4.146 4.320 -0.001 0.000 0.220 428 A C 1.935 179.399 177.584 -0.200 0.000 1.170 428 A CA 1.637 53.632 52.037 -0.069 0.000 0.636 428 A CB -0.236 18.755 19.000 -0.014 0.000 0.810 428 A HN 0.521 nan 8.150 nan 0.000 0.448 429 Q N -1.105 118.503 119.800 -0.320 0.000 2.322 429 Q HA 0.196 4.535 4.340 -0.001 0.000 0.203 429 Q C 0.938 176.821 176.000 -0.195 0.000 0.923 429 Q CA 0.614 56.231 55.803 -0.311 0.000 0.949 429 Q CB -0.176 28.296 28.738 -0.444 0.000 1.039 429 Q HN 0.946 nan 8.270 nan 0.000 0.496 430 G N 0.345 109.025 108.800 -0.200 0.000 2.198 430 G HA2 -0.234 3.726 3.960 -0.001 0.000 0.257 430 G HA3 -0.234 3.726 3.960 -0.001 0.000 0.257 430 G C -0.071 174.745 174.900 -0.140 0.000 1.042 430 G CA 0.308 45.298 45.100 -0.183 0.000 0.791 430 G HN 0.215 nan 8.290 nan 0.000 0.502 431 V N -0.195 119.645 119.914 -0.123 0.000 2.680 431 V HA 0.506 4.625 4.120 -0.001 0.000 0.309 431 V C 0.279 176.365 176.094 -0.014 0.000 1.052 431 V CA -0.906 61.360 62.300 -0.056 0.000 0.908 431 V CB 1.969 33.776 31.823 -0.026 0.000 1.001 431 V HN 0.360 nan 8.190 nan 0.000 0.431 432 D N 3.052 123.457 120.400 0.009 0.000 2.451 432 D HA 0.152 4.791 4.640 -0.001 0.000 0.254 432 D C 1.136 177.481 176.300 0.074 0.000 1.204 432 D CA 0.707 54.742 54.000 0.058 0.000 0.896 432 D CB 1.577 42.397 40.800 0.033 0.000 1.136 432 D HN 0.708 nan 8.370 nan 0.000 0.499 433 A N 4.554 127.447 122.820 0.123 0.000 2.125 433 A HA -0.184 4.135 4.320 -0.001 0.000 0.219 433 A C 1.753 179.393 177.584 0.093 0.000 1.156 433 A CA 1.007 53.118 52.037 0.123 0.000 0.671 433 A CB -0.214 18.866 19.000 0.133 0.000 0.794 433 A HN 0.601 nan 8.150 nan 0.000 0.459 434 Q N -0.449 119.389 119.800 0.063 0.000 2.444 434 Q HA 0.053 4.392 4.340 -0.001 0.000 0.206 434 Q C 1.336 177.339 176.000 0.005 0.000 0.948 434 Q CA 0.454 56.282 55.803 0.040 0.000 0.946 434 Q CB -0.113 28.642 28.738 0.028 0.000 1.027 434 Q HN 0.704 nan 8.270 nan 0.000 0.513 435 R N -0.152 120.349 120.500 0.001 0.000 2.310 435 R HA 0.211 4.550 4.340 -0.001 0.000 0.202 435 R C 0.160 176.426 176.300 -0.057 0.000 0.933 435 R CA 0.063 56.145 56.100 -0.030 0.000 1.054 435 R CB 0.375 30.664 30.300 -0.018 0.000 0.985 435 R HN 0.089 nan 8.270 nan 0.000 0.489 436 L N 1.698 122.883 121.223 -0.064 0.000 2.272 436 L HA 0.377 4.716 4.340 -0.001 0.000 0.289 436 L C -0.435 176.268 176.870 -0.278 0.000 1.032 436 L CA -0.767 53.949 54.840 -0.207 0.000 0.810 436 L CB 1.749 43.663 42.059 -0.242 0.000 1.205 436 L HN -0.209 nan 8.230 nan 0.000 0.422 437 V N 3.509 123.255 119.914 -0.281 0.000 2.417 437 V HA 0.377 4.496 4.120 -0.001 0.000 0.291 437 V C -0.432 175.605 176.094 -0.095 0.000 1.024 437 V CA -0.385 61.848 62.300 -0.111 0.000 0.861 437 V CB 1.521 33.295 31.823 -0.082 0.000 0.985 437 V HN 0.369 nan 8.190 nan 0.000 0.436 438 F N 4.449 124.540 119.950 0.236 0.000 2.334 438 F HA 0.497 5.023 4.527 -0.001 0.000 0.367 438 F C 0.391 176.293 175.800 0.170 0.000 1.115 438 F CA -0.449 57.662 58.000 0.186 0.000 1.116 438 F CB 1.420 40.478 39.000 0.097 0.000 1.230 438 F HN 0.387 nan 8.300 nan 0.000 0.484 439 M N 7.497 127.252 119.600 0.257 0.000 2.184 439 M HA 0.287 4.766 4.480 -0.001 0.000 0.351 439 M C -2.276 174.036 176.300 0.020 0.000 1.395 439 M CA -1.636 53.708 55.300 0.073 0.000 1.117 439 M CB 0.806 33.203 32.600 -0.337 0.000 1.708 439 M HN 0.222 nan 8.290 nan 0.000 0.468 440 P HA 0.055 nan 4.420 nan 0.000 0.272 440 P C -1.407 175.862 177.300 -0.051 0.000 1.230 440 P CA -0.138 62.966 63.100 0.007 0.000 0.788 440 P CB 0.445 32.159 31.700 0.023 0.000 0.949 441 K N 1.755 122.126 120.400 -0.049 0.000 2.412 441 K HA 0.199 4.518 4.320 -0.001 0.000 0.281 441 K C -0.579 175.984 176.600 -0.063 0.000 1.027 441 K CA -0.016 56.224 56.287 -0.079 0.000 0.989 441 K CB -0.219 32.245 32.500 -0.060 0.000 0.935 441 K HN 0.400 nan 8.250 nan 0.000 0.475 442 L N 5.902 127.077 121.223 -0.079 0.000 2.341 442 L HA 0.453 4.792 4.340 -0.001 0.000 0.267 442 L C -2.104 174.758 176.870 -0.013 0.000 1.009 442 L CA -2.681 52.142 54.840 -0.029 0.000 0.819 442 L CB 1.802 43.857 42.059 -0.007 0.000 1.323 442 L HN 0.612 nan 8.230 nan 0.000 0.425 443 P HA -0.060 nan 4.420 nan 0.000 0.263 443 P C 0.283 177.638 177.300 0.092 0.000 1.175 443 P CA 0.206 63.329 63.100 0.039 0.000 0.761 443 P CB 0.427 32.150 31.700 0.037 0.000 0.794 444 H N 5.908 124.995 119.070 0.027 0.000 2.297 444 H HA -0.191 4.364 4.556 -0.002 0.000 0.289 444 H C -0.910 174.543 175.328 0.208 0.000 1.105 444 H CA 2.902 59.024 56.048 0.123 0.000 1.219 444 H CB -1.399 28.406 29.762 0.071 0.000 1.351 444 H HN 0.445 nan 8.280 nan 0.000 0.481 445 P HA -0.080 nan 4.420 nan 0.000 0.223 445 P C 1.120 178.417 177.300 -0.005 0.000 1.151 445 P CA 1.574 64.692 63.100 0.030 0.000 0.787 445 P CB 0.043 31.789 31.700 0.077 0.000 0.788 446 Q N -1.768 118.045 119.800 0.021 0.000 2.062 446 Q HA -0.157 4.182 4.340 -0.001 0.000 0.196 446 Q C 2.187 178.174 176.000 -0.020 0.000 0.967 446 Q CA 1.118 56.926 55.803 0.008 0.000 0.832 446 Q CB -0.769 27.982 28.738 0.022 0.000 0.899 446 Q HN 0.311 nan 8.270 nan 0.000 0.442 447 Y N 1.182 121.383 120.300 -0.165 0.000 2.128 447 Y HA -0.295 4.254 4.550 -0.001 0.000 0.284 447 Y C 1.976 177.742 175.900 -0.224 0.000 1.154 447 Y CA 1.157 59.098 58.100 -0.266 0.000 1.149 447 Y CB -0.427 37.870 38.460 -0.272 0.000 0.976 447 Y HN 0.062 nan 8.280 nan 0.000 0.505 448 L N 1.383 122.347 121.223 -0.432 0.000 2.051 448 L HA -0.255 4.084 4.340 -0.001 0.000 0.214 448 L C 2.662 179.449 176.870 -0.138 0.000 1.076 448 L CA 2.231 56.869 54.840 -0.336 0.000 0.758 448 L CB -1.351 40.587 42.059 -0.201 0.000 0.890 448 L HN 0.457 nan 8.230 nan 0.000 0.433 449 A N -1.262 121.484 122.820 -0.124 0.000 2.024 449 A HA -0.198 4.121 4.320 -0.001 0.000 0.220 449 A C 2.223 179.760 177.584 -0.079 0.000 1.164 449 A CA 1.270 53.260 52.037 -0.078 0.000 0.643 449 A CB -0.488 18.477 19.000 -0.058 0.000 0.806 449 A HN 0.371 nan 8.150 nan 0.000 0.451 450 R N -1.147 119.263 120.500 -0.150 0.000 2.152 450 R HA -0.142 4.197 4.340 -0.001 0.000 0.232 450 R C 1.677 178.014 176.300 0.061 0.000 1.117 450 R CA 1.358 57.434 56.100 -0.040 0.000 0.981 450 R CB -1.051 29.018 30.300 -0.385 0.000 0.870 450 R HN 0.778 nan 8.270 nan 0.000 0.451 451 Y N 0.766 121.077 120.300 0.019 0.000 2.256 451 Y HA -0.193 4.356 4.550 -0.002 0.000 0.288 451 Y C 2.366 178.329 175.900 0.104 0.000 1.155 451 Y CA 1.220 59.369 58.100 0.082 0.000 1.203 451 Y CB -0.158 38.295 38.460 -0.011 0.000 0.980 451 Y HN 0.022 nan 8.280 nan 0.000 0.530 452 R N -0.830 119.748 120.500 0.130 0.000 2.241 452 R HA -0.137 4.202 4.340 -0.001 0.000 0.224 452 R C 1.180 177.505 176.300 0.041 0.000 1.101 452 R CA 0.932 57.045 56.100 0.023 0.000 0.995 452 R CB -0.248 29.984 30.300 -0.113 0.000 0.870 452 R HN 0.463 nan 8.270 nan 0.000 0.463 453 H N -0.514 118.677 119.070 0.202 0.000 2.562 453 H HA 0.260 4.815 4.556 -0.002 0.000 0.267 453 H C 0.488 175.925 175.328 0.182 0.000 0.959 453 H CA 0.131 56.264 56.048 0.141 0.000 1.204 453 H CB 0.152 29.969 29.762 0.092 0.000 1.430 453 H HN 0.114 nan 8.280 nan 0.000 0.545 454 A N 0.881 123.957 122.820 0.427 0.000 2.388 454 A HA 0.104 4.423 4.320 -0.001 0.000 0.257 454 A C 0.770 178.519 177.584 0.276 0.000 1.095 454 A CA -0.247 52.006 52.037 0.359 0.000 0.791 454 A CB 0.579 19.799 19.000 0.367 0.000 1.029 454 A HN 0.199 nan 8.150 nan 0.000 0.489 455 D N -0.265 120.263 120.400 0.213 0.000 2.324 455 D HA 0.171 4.810 4.640 -0.001 0.000 0.212 455 D C -0.316 176.164 176.300 0.299 0.000 0.984 455 D CA 0.962 55.111 54.000 0.248 0.000 0.885 455 D CB 0.425 41.297 40.800 0.119 0.000 0.996 455 D HN 0.339 nan 8.370 nan 0.000 0.505 456 L N -0.204 121.122 121.223 0.173 0.000 2.611 456 L HA 0.350 4.690 4.340 -0.001 0.000 0.260 456 L C -1.984 174.959 176.870 0.121 0.000 0.924 456 L CA -0.753 54.156 54.840 0.115 0.000 0.901 456 L CB 1.963 44.054 42.059 0.053 0.000 1.369 456 L HN -0.223 nan 8.230 nan 0.000 0.415 457 F N 5.362 125.320 119.950 0.014 0.000 2.411 457 F HA 0.594 5.120 4.527 -0.002 0.000 0.355 457 F C -0.603 175.230 175.800 0.055 0.000 1.117 457 F CA -0.454 57.561 58.000 0.026 0.000 1.139 457 F CB 0.789 39.813 39.000 0.041 0.000 1.120 457 F HN 0.391 nan 8.300 nan 0.000 0.493 458 L N 5.979 127.272 121.223 0.116 0.000 2.255 458 L HA 0.245 4.584 4.340 -0.001 0.000 0.289 458 L C -0.180 176.978 176.870 0.479 0.000 1.046 458 L CA -0.739 54.309 54.840 0.345 0.000 0.816 458 L CB 0.703 42.928 42.059 0.276 0.000 1.197 458 L HN 0.573 nan 8.230 nan 0.000 0.427 459 D N 2.074 122.865 120.400 0.651 0.000 2.360 459 D HA 0.219 4.858 4.640 -0.001 0.000 0.242 459 D C 0.061 176.536 176.300 0.292 0.000 1.184 459 D CA -0.040 54.277 54.000 0.527 0.000 0.930 459 D CB 1.175 42.222 40.800 0.412 0.000 1.161 459 D HN 0.539 nan 8.370 nan 0.000 0.447 460 T N -0.784 113.920 114.554 0.251 0.000 2.944 460 T HA 0.553 4.902 4.350 -0.001 0.000 0.284 460 T C -0.564 174.235 174.700 0.166 0.000 1.010 460 T CA -0.668 61.520 62.100 0.146 0.000 1.025 460 T CB 1.327 70.270 68.868 0.125 0.000 1.079 460 T HN 0.513 nan 8.240 nan 0.000 0.516 461 H N 0.875 119.948 119.070 0.005 0.000 2.954 461 H HA 0.434 4.990 4.556 -0.001 0.000 0.361 461 H C -2.443 172.873 175.328 -0.019 0.000 1.122 461 H CA -1.774 54.273 56.048 -0.001 0.000 1.217 461 H CB 2.570 32.293 29.762 -0.065 0.000 1.776 461 H HN 0.375 nan 8.280 nan 0.000 0.533 462 P HA 0.010 nan 4.420 nan 0.000 0.261 462 P C -0.506 176.646 177.300 -0.248 0.000 1.268 462 P CA 0.384 62.973 63.100 -0.852 0.000 0.833 462 P CB 0.276 31.571 31.700 -0.675 0.000 1.231 463 Y N 1.792 121.997 120.300 -0.158 0.000 2.594 463 Y HA 0.256 4.805 4.550 -0.002 0.000 0.342 463 Y C 0.351 176.321 175.900 0.118 0.000 1.010 463 Y CA -1.037 57.055 58.100 -0.014 0.000 1.270 463 Y CB -0.097 38.350 38.460 -0.022 0.000 1.125 463 Y HN -0.126 nan 8.280 nan 0.000 0.513 464 N N 2.737 121.767 118.700 0.549 0.000 2.344 464 N HA 0.106 4.845 4.740 -0.001 0.000 0.236 464 N C -0.256 175.585 175.510 0.551 0.000 1.279 464 N CA -0.149 53.162 53.050 0.434 0.000 0.882 464 N CB 0.536 39.171 38.487 0.246 0.000 1.110 464 N HN 0.660 nan 8.380 nan 0.000 0.436 465 A N 0.946 123.982 122.820 0.360 0.000 2.540 465 A HA 0.024 4.343 4.320 -0.001 0.000 0.239 465 A C -0.268 177.530 177.584 0.357 0.000 1.061 465 A CA 0.434 52.656 52.037 0.309 0.000 0.758 465 A CB 0.093 19.172 19.000 0.133 0.000 0.991 465 A HN 0.828 nan 8.150 nan 0.000 0.502 466 H N 0.784 119.940 119.070 0.144 0.000 2.654 466 H HA 0.130 4.686 4.556 -0.001 0.000 0.170 466 H C 2.090 177.483 175.328 0.108 0.000 1.045 466 H CA 1.339 57.495 56.048 0.180 0.000 1.178 466 H CB -0.380 29.560 29.762 0.297 0.000 1.162 466 H HN 0.586 nan 8.280 nan 0.000 0.399 467 T N -0.201 114.515 114.554 0.270 0.000 2.777 467 T HA -0.177 4.172 4.350 -0.001 0.000 0.266 467 T C 2.030 176.837 174.700 0.177 0.000 1.040 467 T CA 2.031 64.230 62.100 0.164 0.000 1.141 467 T CB -0.511 68.445 68.868 0.147 0.000 0.868 467 T HN 0.538 nan 8.240 nan 0.000 0.444 468 T N 1.102 115.791 114.554 0.224 0.000 2.962 468 T HA 0.083 4.432 4.350 -0.001 0.000 0.270 468 T C 2.102 176.824 174.700 0.037 0.000 1.088 468 T CA 1.226 63.511 62.100 0.308 0.000 1.127 468 T CB -0.419 68.723 68.868 0.456 0.000 0.883 468 T HN 0.345 nan 8.240 nan 0.000 0.493 469 A N 0.486 123.248 122.820 -0.097 0.000 1.930 469 A HA 0.150 4.469 4.320 -0.001 0.000 0.215 469 A C 2.727 180.225 177.584 -0.144 0.000 1.176 469 A CA 1.646 53.504 52.037 -0.299 0.000 0.632 469 A CB -1.220 17.645 19.000 -0.225 0.000 0.819 469 A HN 0.532 nan 8.150 nan 0.000 0.445 470 S N -0.096 115.589 115.700 -0.024 0.000 2.359 470 S HA -0.196 4.273 4.470 -0.001 0.000 0.224 470 S C 1.701 176.374 174.600 0.121 0.000 1.035 470 S CA 1.791 60.035 58.200 0.073 0.000 1.018 470 S CB -0.493 62.732 63.200 0.042 0.000 0.876 470 S HN 0.594 nan 8.310 nan 0.000 0.448 471 D N 1.466 121.913 120.400 0.078 0.000 2.088 471 D HA -0.078 4.561 4.640 -0.001 0.000 0.191 471 D C 2.284 178.401 176.300 -0.305 0.000 0.992 471 D CA 1.462 55.497 54.000 0.059 0.000 0.831 471 D CB -0.957 40.012 40.800 0.282 0.000 0.973 471 D HN 0.424 nan 8.370 nan 0.000 0.447 472 A N 0.778 123.209 122.820 -0.649 0.000 1.896 472 A HA -0.225 4.094 4.320 -0.001 0.000 0.220 472 A C 2.481 179.814 177.584 -0.418 0.000 1.206 472 A CA 1.682 53.132 52.037 -0.978 0.000 0.647 472 A CB -1.081 17.575 19.000 -0.573 0.000 0.828 472 A HN 0.260 nan 8.150 nan 0.000 0.455 473 L N -2.137 118.987 121.223 -0.164 0.000 2.093 473 L HA -0.181 4.159 4.340 -0.001 0.000 0.208 473 L C 2.578 179.446 176.870 -0.003 0.000 1.085 473 L CA 1.285 56.129 54.840 0.006 0.000 0.755 473 L CB -0.493 41.680 42.059 0.190 0.000 0.904 473 L HN 0.782 nan 8.230 nan 0.000 0.435 474 W N 1.381 122.521 121.300 -0.266 0.000 2.325 474 W HA -0.286 4.373 4.660 -0.002 0.000 0.299 474 W C 2.401 178.708 176.519 -0.352 0.000 1.215 474 W CA 2.022 59.030 57.345 -0.561 0.000 1.244 474 W CB -0.068 29.109 29.460 -0.472 0.000 1.140 474 W HN 0.361 nan 8.180 nan 0.000 0.523 475 T N -2.670 111.695 114.554 -0.316 0.000 3.055 475 T HA 0.204 4.553 4.350 -0.001 0.000 0.265 475 T C 1.533 176.078 174.700 -0.258 0.000 1.111 475 T CA 1.475 63.380 62.100 -0.327 0.000 1.118 475 T CB -0.111 68.669 68.868 -0.147 0.000 0.909 475 T HN 0.363 nan 8.240 nan 0.000 0.501 476 G N -0.253 108.419 108.800 -0.213 0.000 2.227 476 G HA2 -0.160 3.800 3.960 -0.001 0.000 0.168 476 G HA3 -0.160 3.800 3.960 -0.001 0.000 0.168 476 G C 0.186 175.039 174.900 -0.079 0.000 1.006 476 G CA -0.320 44.705 45.100 -0.126 0.000 0.684 476 G HN 0.801 nan 8.290 nan 0.000 0.489 477 C N 4.102 123.354 119.300 -0.080 0.000 2.303 477 C HA 0.711 5.170 4.460 -0.001 0.000 0.341 477 C C -1.494 173.419 174.990 -0.129 0.000 1.244 477 C CA -2.164 56.817 59.018 -0.062 0.000 1.765 477 C CB 0.469 28.269 27.740 0.100 0.000 2.379 477 C HN 0.377 nan 8.230 nan 0.000 0.530 478 P HA 0.161 nan 4.420 nan 0.000 0.269 478 P C -0.905 176.376 177.300 -0.031 0.000 1.215 478 P CA 0.273 63.283 63.100 -0.150 0.000 0.780 478 P CB 0.572 32.148 31.700 -0.208 0.000 0.898 479 V N 3.547 123.447 119.914 -0.024 0.000 2.448 479 V HA 0.287 4.406 4.120 -0.001 0.000 0.295 479 V C 0.170 176.291 176.094 0.046 0.000 1.025 479 V CA -0.751 61.568 62.300 0.032 0.000 0.859 479 V CB 1.536 33.305 31.823 -0.091 0.000 0.988 479 V HN 0.387 nan 8.190 nan 0.000 0.431 480 L N 4.593 125.879 121.223 0.105 0.000 2.282 480 L HA 0.827 5.166 4.340 -0.001 0.000 0.288 480 L C -0.027 177.009 176.870 0.277 0.000 1.033 480 L CA 0.824 55.695 54.840 0.052 0.000 0.807 480 L CB 1.693 43.623 42.059 -0.215 0.000 1.209 480 L HN 0.832 nan 8.230 nan 0.000 0.423 481 T N 1.648 116.363 114.554 0.267 0.000 2.883 481 T HA 0.670 5.019 4.350 -0.001 0.000 0.296 481 T C -0.916 173.977 174.700 0.322 0.000 1.117 481 T CA -0.067 62.240 62.100 0.345 0.000 1.006 481 T CB 1.457 70.450 68.868 0.208 0.000 1.191 481 T HN 0.698 nan 8.240 nan 0.000 0.508 482 T N 1.968 116.678 114.554 0.260 0.000 3.060 482 T HA 0.588 4.937 4.350 -0.001 0.000 0.367 482 T C -2.930 171.864 174.700 0.157 0.000 1.229 482 T CA -1.705 60.491 62.100 0.161 0.000 1.104 482 T CB 0.548 69.429 68.868 0.021 0.000 1.083 482 T HN 0.306 nan 8.240 nan 0.000 0.524 483 P HA 0.288 nan 4.420 nan 0.000 0.263 483 P C 0.799 178.183 177.300 0.140 0.000 1.195 483 P CA 0.257 63.480 63.100 0.205 0.000 0.762 483 P CB 0.643 32.526 31.700 0.305 0.000 0.799 484 G N 2.443 111.351 108.800 0.179 0.000 2.882 484 G HA2 0.145 4.104 3.960 -0.001 0.000 0.164 484 G HA3 0.145 4.104 3.960 -0.001 0.000 0.164 484 G C 0.284 175.226 174.900 0.070 0.000 1.429 484 G CA -0.250 44.968 45.100 0.197 0.000 1.059 484 G HN 0.435 nan 8.290 nan 0.000 0.581 485 E N -0.941 119.294 120.200 0.059 0.000 2.447 485 E HA 0.133 4.482 4.350 -0.001 0.000 0.204 485 E C 0.509 177.120 176.600 0.018 0.000 0.977 485 E CA 0.213 56.621 56.400 0.015 0.000 0.950 485 E CB 0.767 30.468 29.700 0.001 0.000 0.975 485 E HN 0.471 nan 8.360 nan 0.000 0.496 486 T N -2.474 112.085 114.554 0.009 0.000 2.945 486 T HA 0.232 4.581 4.350 -0.001 0.000 0.286 486 T C 0.621 175.373 174.700 0.086 0.000 1.025 486 T CA -0.806 61.318 62.100 0.040 0.000 1.039 486 T CB 1.385 70.226 68.868 -0.044 0.000 1.068 486 T HN -0.044 nan 8.240 nan 0.000 0.497 487 F N 1.697 121.669 119.950 0.037 0.000 2.065 487 F HA -0.041 4.485 4.527 -0.002 0.000 0.298 487 F C 2.583 178.378 175.800 -0.008 0.000 1.112 487 F CA 2.121 60.135 58.000 0.024 0.000 1.212 487 F CB -0.749 38.306 39.000 0.091 0.000 0.975 487 F HN 0.731 nan 8.300 nan 0.000 0.476 488 A N -0.303 122.625 122.820 0.181 0.000 2.178 488 A HA 0.088 4.407 4.320 -0.001 0.000 0.218 488 A C 1.901 179.535 177.584 0.083 0.000 1.157 488 A CA 1.292 53.410 52.037 0.135 0.000 0.689 488 A CB -1.248 17.601 19.000 -0.253 0.000 0.787 488 A HN 0.474 nan 8.150 nan 0.000 0.465 489 A N -1.239 121.568 122.820 -0.021 0.000 2.465 489 A HA 0.374 4.693 4.320 -0.001 0.000 0.255 489 A C 1.485 179.091 177.584 0.037 0.000 1.274 489 A CA -0.183 51.854 52.037 -0.000 0.000 0.920 489 A CB -0.001 18.934 19.000 -0.110 0.000 1.033 489 A HN 0.424 nan 8.150 nan 0.000 0.516 490 R N -0.764 119.700 120.500 -0.060 0.000 2.509 490 R HA 0.095 4.434 4.340 -0.001 0.000 0.297 490 R C 1.370 177.665 176.300 -0.008 0.000 0.951 490 R CA 0.841 56.946 56.100 0.009 0.000 1.103 490 R CB 0.435 30.700 30.300 -0.060 0.000 1.283 490 R HN 0.396 nan 8.270 nan 0.000 0.534 491 V N -1.422 118.373 119.914 -0.197 0.000 2.307 491 V HA -0.071 4.048 4.120 -0.001 0.000 0.245 491 V C 2.365 178.434 176.094 -0.041 0.000 1.045 491 V CA 1.881 64.089 62.300 -0.154 0.000 1.024 491 V CB -0.933 30.661 31.823 -0.382 0.000 0.651 491 V HN 0.183 nan 8.190 nan 0.000 0.449 492 A N 1.521 124.308 122.820 -0.055 0.000 1.940 492 A HA -0.021 4.298 4.320 -0.001 0.000 0.219 492 A C 2.379 179.934 177.584 -0.049 0.000 1.176 492 A CA 2.135 54.150 52.037 -0.035 0.000 0.631 492 A CB -1.473 17.537 19.000 0.016 0.000 0.814 492 A HN 0.664 nan 8.150 nan 0.000 0.446 493 G N -1.109 107.682 108.800 -0.016 0.000 2.408 493 G HA2 -0.151 3.808 3.960 -0.001 0.000 0.217 493 G HA3 -0.151 3.808 3.960 -0.001 0.000 0.217 493 G C 1.898 176.410 174.900 -0.646 0.000 1.150 493 G CA 1.431 46.435 45.100 -0.161 0.000 0.776 493 G HN 0.579 nan 8.290 nan 0.000 0.542 494 S N -0.020 115.487 115.700 -0.322 0.000 2.368 494 S HA -0.013 4.457 4.470 -0.001 0.000 0.224 494 S C 2.443 177.059 174.600 0.027 0.000 1.029 494 S CA 0.943 59.045 58.200 -0.164 0.000 0.988 494 S CB -0.279 63.117 63.200 0.326 0.000 0.838 494 S HN 0.342 nan 8.310 nan 0.000 0.462 495 L N 1.635 122.844 121.223 -0.023 0.000 1.956 495 L HA -0.196 4.144 4.340 -0.001 0.000 0.216 495 L C 2.556 179.367 176.870 -0.100 0.000 1.073 495 L CA 1.700 56.499 54.840 -0.067 0.000 0.762 495 L CB -1.183 40.819 42.059 -0.096 0.000 0.889 495 L HN 0.322 nan 8.230 nan 0.000 0.433 496 N N -0.576 118.043 118.700 -0.135 0.000 2.037 496 N HA -0.270 4.469 4.740 -0.001 0.000 0.196 496 N C 1.819 177.218 175.510 -0.184 0.000 1.034 496 N CA 1.902 54.869 53.050 -0.139 0.000 0.861 496 N CB -0.762 37.650 38.487 -0.126 0.000 1.039 496 N HN 0.444 nan 8.380 nan 0.000 0.427 497 H N 0.069 118.861 119.070 -0.463 0.000 2.290 497 H HA -0.062 4.493 4.556 -0.002 0.000 0.298 497 H C 1.658 176.765 175.328 -0.367 0.000 1.087 497 H CA 2.099 57.824 56.048 -0.539 0.000 1.291 497 H CB -0.417 28.734 29.762 -1.017 0.000 1.369 497 H HN 0.442 nan 8.280 nan 0.000 0.492 498 H N -0.730 118.183 119.070 -0.262 0.000 2.495 498 H HA 0.053 4.609 4.556 -0.001 0.000 0.287 498 H C 2.322 177.527 175.328 -0.205 0.000 1.033 498 H CA 0.857 56.752 56.048 -0.255 0.000 1.307 498 H CB 0.159 29.852 29.762 -0.115 0.000 1.401 498 H HN 0.286 nan 8.280 nan 0.000 0.555 499 L N -1.152 120.023 121.223 -0.081 0.000 2.093 499 L HA -0.022 4.317 4.340 -0.001 0.000 0.208 499 L C 1.824 178.648 176.870 -0.077 0.000 1.085 499 L CA 1.278 56.081 54.840 -0.062 0.000 0.755 499 L CB -0.061 41.978 42.059 -0.035 0.000 0.904 499 L HN 0.637 nan 8.230 nan 0.000 0.435 500 G N -0.791 107.931 108.800 -0.131 0.000 2.205 500 G HA2 -0.210 3.749 3.960 -0.001 0.000 0.180 500 G HA3 -0.210 3.749 3.960 -0.001 0.000 0.180 500 G C 0.310 175.165 174.900 -0.076 0.000 1.004 500 G CA -0.376 44.657 45.100 -0.113 0.000 0.670 500 G HN 0.161 nan 8.290 nan 0.000 0.496 501 L N 2.242 123.421 121.223 -0.073 0.000 2.821 501 L HA 0.258 4.597 4.340 -0.001 0.000 0.239 501 L C 1.290 178.133 176.870 -0.045 0.000 1.391 501 L CA -0.334 54.475 54.840 -0.051 0.000 1.231 501 L CB -0.024 42.006 42.059 -0.049 0.000 1.598 501 L HN 0.098 nan 8.230 nan 0.000 0.428 502 D N 0.841 121.224 120.400 -0.028 0.000 2.221 502 D HA -0.202 4.437 4.640 -0.001 0.000 0.204 502 D C 1.888 178.194 176.300 0.011 0.000 0.982 502 D CA 1.160 55.163 54.000 0.005 0.000 0.857 502 D CB 0.234 41.061 40.800 0.044 0.000 0.934 502 D HN 0.603 nan 8.370 nan 0.000 0.475 503 E N 0.529 120.729 120.200 0.000 0.000 2.409 503 E HA -0.147 4.202 4.350 -0.001 0.000 0.198 503 E C 1.348 177.944 176.600 -0.006 0.000 1.024 503 E CA 0.501 56.901 56.400 0.001 0.000 0.861 503 E CB -0.120 29.577 29.700 -0.006 0.000 0.788 503 E HN 0.203 nan 8.360 nan 0.000 0.521 504 M N 1.084 120.676 119.600 -0.012 0.000 2.428 504 M HA 0.185 4.664 4.480 -0.001 0.000 0.239 504 M C -0.364 175.947 176.300 0.018 0.000 1.121 504 M CA 0.009 55.300 55.300 -0.015 0.000 1.019 504 M CB -0.358 32.224 32.600 -0.030 0.000 1.485 504 M HN -0.092 nan 8.290 nan 0.000 0.484 505 N N 1.457 120.176 118.700 0.032 0.000 2.446 505 N HA 0.484 5.223 4.740 -0.001 0.000 0.265 505 N C -0.551 175.012 175.510 0.087 0.000 0.975 505 N CA -0.180 52.917 53.050 0.079 0.000 0.928 505 N CB 2.197 40.735 38.487 0.085 0.000 1.160 505 N HN 0.005 nan 8.380 nan 0.000 0.495 506 V N -1.321 118.658 119.914 0.110 0.000 3.001 506 V HA 0.817 4.936 4.120 -0.001 0.000 0.314 506 V C 1.055 177.205 176.094 0.093 0.000 1.099 506 V CA -0.863 61.493 62.300 0.092 0.000 0.989 506 V CB 1.447 33.322 31.823 0.086 0.000 1.040 506 V HN 0.482 nan 8.190 nan 0.000 0.434 507 A N 1.757 124.615 122.820 0.064 0.000 1.898 507 A HA 0.191 4.510 4.320 -0.001 0.000 0.216 507 A C 0.760 178.357 177.584 0.021 0.000 1.181 507 A CA 2.109 54.170 52.037 0.040 0.000 0.620 507 A CB -0.861 18.155 19.000 0.027 0.000 0.819 507 A HN 1.394 nan 8.150 nan 0.000 0.442 508 D N -4.797 115.624 120.400 0.035 0.000 2.713 508 D HA 0.317 4.956 4.640 -0.001 0.000 0.306 508 D C -0.359 175.962 176.300 0.035 0.000 1.299 508 D CA -0.230 53.767 54.000 -0.006 0.000 0.823 508 D CB -0.233 40.556 40.800 -0.019 0.000 1.353 508 D HN -0.149 nan 8.370 nan 0.000 0.447 509 D N -0.196 120.188 120.400 -0.027 0.000 2.133 509 D HA -0.163 4.476 4.640 -0.001 0.000 0.192 509 D C 2.063 178.426 176.300 0.104 0.000 1.001 509 D CA 2.953 56.954 54.000 0.002 0.000 0.844 509 D CB -0.455 40.312 40.800 -0.056 0.000 0.944 509 D HN 0.510 nan 8.370 nan 0.000 0.447 510 A N 0.531 123.388 122.820 0.062 0.000 1.908 510 A HA -0.107 4.212 4.320 -0.001 0.000 0.218 510 A C 2.249 179.885 177.584 0.086 0.000 1.181 510 A CA 2.401 54.477 52.037 0.066 0.000 0.627 510 A CB -0.891 18.130 19.000 0.035 0.000 0.818 510 A HN 0.270 nan 8.150 nan 0.000 0.445 511 A N -1.876 120.999 122.820 0.091 0.000 2.016 511 A HA 0.133 4.452 4.320 -0.001 0.000 0.217 511 A C 1.962 179.609 177.584 0.104 0.000 1.162 511 A CA 1.170 53.254 52.037 0.078 0.000 0.662 511 A CB -0.584 18.454 19.000 0.064 0.000 0.812 511 A HN 0.612 nan 8.150 nan 0.000 0.450 512 F N 0.856 120.810 119.950 0.007 0.000 2.051 512 F HA -0.182 4.344 4.527 -0.002 0.000 0.296 512 F C 2.226 178.037 175.800 0.019 0.000 1.122 512 F CA 2.289 60.298 58.000 0.016 0.000 1.201 512 F CB -0.251 38.758 39.000 0.015 0.000 0.978 512 F HN 0.030 nan 8.300 nan 0.000 0.472 513 V N 0.636 120.728 119.914 0.298 0.000 2.392 513 V HA -0.325 3.794 4.120 -0.001 0.000 0.249 513 V C 2.618 178.732 176.094 0.033 0.000 1.059 513 V CA 1.768 64.164 62.300 0.160 0.000 1.051 513 V CB -1.729 30.188 31.823 0.157 0.000 0.658 513 V HN 0.521 nan 8.190 nan 0.000 0.455 514 A N 0.138 122.975 122.820 0.028 0.000 1.897 514 A HA -0.170 4.150 4.320 -0.001 0.000 0.215 514 A C 2.248 179.814 177.584 -0.031 0.000 1.181 514 A CA 1.885 53.923 52.037 0.002 0.000 0.620 514 A CB -0.392 18.616 19.000 0.013 0.000 0.821 514 A HN 0.474 nan 8.150 nan 0.000 0.443 515 K N 0.217 120.581 120.400 -0.060 0.000 2.097 515 K HA 0.089 4.408 4.320 -0.001 0.000 0.205 515 K C 1.939 178.470 176.600 -0.115 0.000 1.050 515 K CA 1.488 57.724 56.287 -0.084 0.000 0.938 515 K CB -0.427 32.013 32.500 -0.100 0.000 0.718 515 K HN 0.298 nan 8.250 nan 0.000 0.442 516 A N 0.156 122.868 122.820 -0.180 0.000 1.855 516 A HA -0.072 4.247 4.320 -0.001 0.000 0.215 516 A C 2.281 179.816 177.584 -0.082 0.000 1.191 516 A CA 1.661 53.594 52.037 -0.174 0.000 0.613 516 A CB -0.915 17.927 19.000 -0.263 0.000 0.829 516 A HN 0.100 nan 8.150 nan 0.000 0.442 517 V N 0.194 120.075 119.914 -0.055 0.000 2.278 517 V HA -0.351 3.768 4.120 -0.001 0.000 0.251 517 V C 3.087 179.166 176.094 -0.025 0.000 1.062 517 V CA 2.277 64.560 62.300 -0.027 0.000 1.038 517 V CB -1.381 30.434 31.823 -0.012 0.000 0.646 517 V HN 0.646 nan 8.190 nan 0.000 0.447 518 A N -0.521 122.282 122.820 -0.028 0.000 1.873 518 A HA -0.237 4.082 4.320 -0.001 0.000 0.218 518 A C 2.227 179.799 177.584 -0.019 0.000 1.193 518 A CA 2.345 54.369 52.037 -0.021 0.000 0.629 518 A CB -0.622 18.365 19.000 -0.021 0.000 0.826 518 A HN 0.508 nan 8.150 nan 0.000 0.447 519 L N -1.048 120.159 121.223 -0.026 0.000 2.027 519 L HA -0.150 4.189 4.340 -0.001 0.000 0.206 519 L C 3.136 180.004 176.870 -0.004 0.000 1.074 519 L CA 1.088 55.920 54.840 -0.013 0.000 0.745 519 L CB -0.529 41.519 42.059 -0.019 0.000 0.898 519 L HN 0.433 nan 8.230 nan 0.000 0.433 520 A N -0.138 122.675 122.820 -0.012 0.000 1.908 520 A HA -0.225 4.094 4.320 -0.001 0.000 0.218 520 A C 2.392 179.970 177.584 -0.010 0.000 1.181 520 A CA 2.086 54.119 52.037 -0.008 0.000 0.627 520 A CB -0.726 18.265 19.000 -0.014 0.000 0.818 520 A HN 0.520 nan 8.150 nan 0.000 0.445 521 S N -1.424 114.269 115.700 -0.012 0.000 2.603 521 S HA 0.078 4.547 4.470 -0.001 0.000 0.220 521 S C 0.125 174.719 174.600 -0.010 0.000 0.967 521 S CA 0.597 58.790 58.200 -0.012 0.000 0.920 521 S CB -0.071 63.122 63.200 -0.012 0.000 0.773 521 S HN 0.411 nan 8.310 nan 0.000 0.529 522 D N 1.607 122.002 120.400 -0.008 0.000 2.346 522 D HA 0.347 4.986 4.640 -0.001 0.000 0.255 522 D C -1.896 174.403 176.300 -0.002 0.000 1.276 522 D CA -2.245 51.751 54.000 -0.006 0.000 0.941 522 D CB 1.840 42.637 40.800 -0.005 0.000 1.199 522 D HN -0.030 nan 8.370 nan 0.000 0.537 523 P HA -0.159 nan 4.420 nan 0.000 0.218 523 P C 1.206 178.503 177.300 -0.005 0.000 1.148 523 P CA 0.923 64.017 63.100 -0.009 0.000 0.822 523 P CB 0.293 31.981 31.700 -0.020 0.000 0.784 524 A N 0.412 123.230 122.820 -0.004 0.000 1.933 524 A HA -0.036 4.283 4.320 -0.001 0.000 0.218 524 A C 2.476 180.065 177.584 0.008 0.000 1.175 524 A CA 2.084 54.120 52.037 -0.001 0.000 0.628 524 A CB -1.407 17.591 19.000 -0.003 0.000 0.814 524 A HN 0.253 nan 8.150 nan 0.000 0.444 525 A N -0.709 122.117 122.820 0.010 0.000 1.897 525 A HA 0.082 4.401 4.320 -0.001 0.000 0.215 525 A C 2.070 179.676 177.584 0.037 0.000 1.181 525 A CA 1.521 53.567 52.037 0.016 0.000 0.620 525 A CB -0.566 18.439 19.000 0.008 0.000 0.821 525 A HN 0.528 nan 8.150 nan 0.000 0.443 526 L N 0.032 121.284 121.223 0.047 0.000 1.989 526 L HA -0.143 4.196 4.340 -0.001 0.000 0.211 526 L C 2.514 179.478 176.870 0.157 0.000 1.071 526 L CA 2.825 57.728 54.840 0.104 0.000 0.749 526 L CB -1.262 40.840 42.059 0.072 0.000 0.890 526 L HN 0.387 nan 8.230 nan 0.000 0.431 527 T N -0.107 114.483 114.554 0.060 0.000 2.684 527 T HA -0.212 4.137 4.350 -0.001 0.000 0.267 527 T C 1.895 176.637 174.700 0.070 0.000 1.036 527 T CA 1.494 63.613 62.100 0.033 0.000 1.148 527 T CB -0.589 68.274 68.868 -0.009 0.000 0.863 527 T HN 0.535 nan 8.240 nan 0.000 0.436 528 A N 1.234 124.084 122.820 0.050 0.000 1.908 528 A HA -0.066 4.253 4.320 -0.001 0.000 0.218 528 A C 2.246 179.859 177.584 0.048 0.000 1.181 528 A CA 1.487 53.547 52.037 0.039 0.000 0.627 528 A CB -0.853 18.160 19.000 0.022 0.000 0.818 528 A HN 0.413 nan 8.150 nan 0.000 0.445 529 L N -0.507 120.753 121.223 0.061 0.000 2.017 529 L HA -0.189 4.150 4.340 -0.001 0.000 0.208 529 L C 2.368 179.242 176.870 0.005 0.000 1.073 529 L CA 2.307 57.161 54.840 0.022 0.000 0.745 529 L CB -0.911 41.150 42.059 0.002 0.000 0.894 529 L HN 0.552 nan 8.230 nan 0.000 0.432 530 H N -0.763 118.302 119.070 -0.010 0.000 2.387 530 H HA -0.077 4.478 4.556 -0.002 0.000 0.299 530 H C 2.066 177.381 175.328 -0.022 0.000 1.090 530 H CA 1.215 57.255 56.048 -0.015 0.000 1.332 530 H CB -0.051 29.703 29.762 -0.013 0.000 1.386 530 H HN 0.539 nan 8.280 nan 0.000 0.516 531 A N 1.207 124.088 122.820 0.101 0.000 1.933 531 A HA -0.191 4.129 4.320 -0.001 0.000 0.218 531 A C 2.449 180.044 177.584 0.018 0.000 1.175 531 A CA 1.476 53.538 52.037 0.041 0.000 0.628 531 A CB -0.459 18.558 19.000 0.029 0.000 0.814 531 A HN 0.282 nan 8.150 nan 0.000 0.444 532 R N -0.536 119.972 120.500 0.013 0.000 2.062 532 R HA -0.042 4.297 4.340 -0.001 0.000 0.229 532 R C 1.985 178.281 176.300 -0.006 0.000 1.128 532 R CA 1.417 57.517 56.100 0.000 0.000 0.960 532 R CB -0.361 29.936 30.300 -0.005 0.000 0.855 532 R HN 0.293 nan 8.270 nan 0.000 0.432 533 V N 1.519 121.418 119.914 -0.025 0.000 2.282 533 V HA -0.315 3.804 4.120 -0.001 0.000 0.249 533 V C 1.847 177.935 176.094 -0.010 0.000 1.057 533 V CA 2.376 64.659 62.300 -0.029 0.000 1.032 533 V CB -0.656 31.115 31.823 -0.087 0.000 0.645 533 V HN 0.456 nan 8.190 nan 0.000 0.447 534 D N -0.268 120.119 120.400 -0.022 0.000 2.087 534 D HA -0.175 4.465 4.640 -0.001 0.000 0.192 534 D C 2.061 178.355 176.300 -0.009 0.000 0.993 534 D CA 1.816 55.794 54.000 -0.036 0.000 0.828 534 D CB -0.157 40.621 40.800 -0.037 0.000 0.968 534 D HN 0.169 nan 8.370 nan 0.000 0.448 535 V N 0.490 120.406 119.914 0.003 0.000 2.231 535 V HA -0.285 3.834 4.120 -0.001 0.000 0.250 535 V C 2.523 178.640 176.094 0.038 0.000 1.058 535 V CA 1.752 64.062 62.300 0.016 0.000 1.022 535 V CB -0.625 31.206 31.823 0.012 0.000 0.640 535 V HN 0.354 nan 8.190 nan 0.000 0.445 536 L N -0.938 120.310 121.223 0.042 0.000 2.376 536 L HA -0.095 4.244 4.340 -0.001 0.000 0.219 536 L C 2.616 179.568 176.870 0.136 0.000 1.133 536 L CA 1.063 55.941 54.840 0.064 0.000 0.816 536 L CB -0.591 41.490 42.059 0.038 0.000 0.933 536 L HN 0.237 nan 8.230 nan 0.000 0.449 537 R N 0.189 120.781 120.500 0.153 0.000 2.092 537 R HA -0.123 4.216 4.340 -0.001 0.000 0.231 537 R C 2.441 178.915 176.300 0.289 0.000 1.119 537 R CA 1.286 57.552 56.100 0.277 0.000 0.970 537 R CB 0.033 30.365 30.300 0.053 0.000 0.864 537 R HN 0.225 nan 8.270 nan 0.000 0.440 538 R N -1.150 119.445 120.500 0.158 0.000 2.112 538 R HA 0.100 4.439 4.340 -0.001 0.000 0.216 538 R C 1.786 178.189 176.300 0.171 0.000 1.080 538 R CA 0.981 57.173 56.100 0.155 0.000 0.996 538 R CB 0.194 30.540 30.300 0.077 0.000 0.902 538 R HN 0.167 nan 8.270 nan 0.000 0.449 539 A N 0.301 123.197 122.820 0.126 0.000 2.044 539 A HA 0.069 4.388 4.320 -0.001 0.000 0.213 539 A C 0.960 178.591 177.584 0.079 0.000 1.169 539 A CA 0.385 52.477 52.037 0.091 0.000 0.724 539 A CB -0.050 18.982 19.000 0.053 0.000 0.840 539 A HN 0.385 nan 8.150 nan 0.000 0.463 540 S N -0.897 114.860 115.700 0.094 0.000 2.600 540 S HA 0.408 4.877 4.470 -0.001 0.000 0.265 540 S C 1.195 175.841 174.600 0.077 0.000 1.325 540 S CA 0.030 58.264 58.200 0.056 0.000 1.002 540 S CB 1.193 64.414 63.200 0.035 0.000 0.921 540 S HN 0.551 nan 8.310 nan 0.000 0.554 541 G N 0.111 108.923 108.800 0.020 0.000 2.744 541 G HA2 0.023 3.982 3.960 -0.001 0.000 0.211 541 G HA3 0.023 3.982 3.960 -0.001 0.000 0.211 541 G C 1.029 175.968 174.900 0.065 0.000 1.143 541 G CA 0.281 45.400 45.100 0.032 0.000 0.788 541 G HN 0.602 nan 8.290 nan 0.000 0.534 542 V N 0.028 119.917 119.914 -0.042 0.000 2.392 542 V HA -0.101 4.018 4.120 -0.001 0.000 0.249 542 V C 1.593 177.470 176.094 -0.361 0.000 1.059 542 V CA 1.304 63.447 62.300 -0.263 0.000 1.051 542 V CB -0.458 31.065 31.823 -0.500 0.000 0.658 542 V HN 0.431 nan 8.190 nan 0.000 0.455 543 F N -1.349 118.674 119.950 0.121 0.000 2.925 543 F HA 0.339 4.865 4.527 -0.002 0.000 0.302 543 F C 0.772 176.612 175.800 0.066 0.000 1.189 543 F CA -0.137 57.896 58.000 0.055 0.000 1.346 543 F CB 0.141 39.244 39.000 0.173 0.000 0.954 543 F HN 0.120 nan 8.300 nan 0.000 0.506 544 H N 1.877 121.030 119.070 0.139 0.000 2.539 544 H HA 0.228 4.783 4.556 -0.001 0.000 0.247 544 H C 1.079 176.470 175.328 0.104 0.000 1.363 544 H CA -0.141 55.977 56.048 0.116 0.000 1.371 544 H CB 0.728 30.552 29.762 0.104 0.000 1.438 544 H HN 0.168 nan 8.280 nan 0.000 0.523 545 M N 1.012 120.634 119.600 0.036 0.000 2.460 545 M HA -0.098 4.381 4.480 -0.001 0.000 0.263 545 M C 1.024 177.383 176.300 0.098 0.000 1.071 545 M CA 0.612 55.925 55.300 0.022 0.000 1.096 545 M CB -0.314 32.196 32.600 -0.150 0.000 1.408 545 M HN 0.427 nan 8.290 nan 0.000 0.463 546 D N 0.370 120.827 120.400 0.095 0.000 2.084 546 D HA -0.054 4.585 4.640 -0.001 0.000 0.196 546 D C 2.086 178.514 176.300 0.214 0.000 0.985 546 D CA 1.669 55.752 54.000 0.138 0.000 0.826 546 D CB -0.499 40.366 40.800 0.108 0.000 0.978 546 D HN 0.400 nan 8.370 nan 0.000 0.456 547 G N -0.324 108.670 108.800 0.323 0.000 2.432 547 G HA2 -0.255 3.704 3.960 -0.001 0.000 0.219 547 G HA3 -0.255 3.704 3.960 -0.001 0.000 0.219 547 G C 1.553 176.550 174.900 0.162 0.000 1.135 547 G CA 0.114 45.331 45.100 0.195 0.000 0.767 547 G HN 0.238 nan 8.290 nan 0.000 0.550 548 F N 2.005 121.997 119.950 0.069 0.000 2.134 548 F HA 0.037 4.564 4.527 -0.001 0.000 0.299 548 F C 2.863 178.695 175.800 0.053 0.000 1.097 548 F CA 1.305 59.323 58.000 0.029 0.000 1.264 548 F CB 0.048 39.030 39.000 -0.030 0.000 1.001 548 F HN 0.237 nan 8.300 nan 0.000 0.479 549 A N 0.242 123.266 122.820 0.341 0.000 1.865 549 A HA -0.234 4.086 4.320 -0.001 0.000 0.217 549 A C 1.952 179.663 177.584 0.211 0.000 1.191 549 A CA 2.093 54.284 52.037 0.257 0.000 0.623 549 A CB -1.089 18.006 19.000 0.159 0.000 0.826 549 A HN 0.422 nan 8.150 nan 0.000 0.444 550 D N -0.176 120.311 120.400 0.146 0.000 2.106 550 D HA -0.188 4.451 4.640 -0.001 0.000 0.191 550 D C 1.638 177.979 176.300 0.068 0.000 0.997 550 D CA 1.835 55.894 54.000 0.099 0.000 0.834 550 D CB -0.673 40.172 40.800 0.076 0.000 0.956 550 D HN 0.603 nan 8.370 nan 0.000 0.448 551 D N -0.569 119.848 120.400 0.028 0.000 2.092 551 D HA -0.195 4.444 4.640 -0.001 0.000 0.193 551 D C 1.956 178.245 176.300 -0.018 0.000 0.994 551 D CA 0.770 54.745 54.000 -0.042 0.000 0.828 551 D CB -0.363 40.348 40.800 -0.149 0.000 0.963 551 D HN 0.125 nan 8.370 nan 0.000 0.450 552 F N 0.585 120.447 119.950 -0.147 0.000 2.126 552 F HA -0.002 4.524 4.527 -0.001 0.000 0.299 552 F C 2.204 177.985 175.800 -0.033 0.000 1.096 552 F CA 2.118 60.053 58.000 -0.107 0.000 1.255 552 F CB -0.638 38.356 39.000 -0.010 0.000 0.997 552 F HN 0.060 nan 8.300 nan 0.000 0.479 553 G N -0.382 108.495 108.800 0.128 0.000 2.421 553 G HA2 -0.239 3.720 3.960 -0.001 0.000 0.216 553 G HA3 -0.239 3.720 3.960 -0.001 0.000 0.216 553 G C 1.852 176.733 174.900 -0.031 0.000 1.171 553 G CA 0.884 46.012 45.100 0.046 0.000 0.775 553 G HN 0.604 nan 8.290 nan 0.000 0.543 554 A N 0.607 123.424 122.820 -0.006 0.000 1.892 554 A HA -0.048 4.271 4.320 -0.001 0.000 0.218 554 A C 2.427 179.976 177.584 -0.059 0.000 1.188 554 A CA 1.764 53.795 52.037 -0.010 0.000 0.631 554 A CB -0.570 18.430 19.000 0.000 0.000 0.822 554 A HN 0.489 nan 8.150 nan 0.000 0.447 555 L N -0.401 120.750 121.223 -0.120 0.000 2.017 555 L HA -0.155 4.184 4.340 -0.001 0.000 0.208 555 L C 2.436 179.183 176.870 -0.206 0.000 1.073 555 L CA 1.565 56.307 54.840 -0.164 0.000 0.745 555 L CB -0.262 41.672 42.059 -0.208 0.000 0.894 555 L HN 0.444 nan 8.230 nan 0.000 0.432 556 L N -0.633 120.411 121.223 -0.298 0.000 2.013 556 L HA -0.294 4.045 4.340 -0.001 0.000 0.212 556 L C 2.743 179.497 176.870 -0.194 0.000 1.073 556 L CA 1.758 56.431 54.840 -0.278 0.000 0.753 556 L CB -0.807 41.062 42.059 -0.317 0.000 0.890 556 L HN 0.439 nan 8.230 nan 0.000 0.432 557 Q N -0.311 119.413 119.800 -0.127 0.000 2.030 557 Q HA -0.238 4.101 4.340 -0.001 0.000 0.204 557 Q C 2.435 178.490 176.000 0.093 0.000 0.986 557 Q CA 1.818 57.609 55.803 -0.019 0.000 0.843 557 Q CB -0.346 28.477 28.738 0.141 0.000 0.904 557 Q HN 0.578 nan 8.270 nan 0.000 0.420 558 A N 0.909 123.757 122.820 0.048 0.000 1.908 558 A HA -0.204 4.115 4.320 -0.001 0.000 0.218 558 A C 2.066 179.669 177.584 0.032 0.000 1.181 558 A CA 1.375 53.443 52.037 0.051 0.000 0.627 558 A CB -0.679 18.328 19.000 0.011 0.000 0.818 558 A HN 0.355 nan 8.150 nan 0.000 0.445 559 L N -0.290 120.906 121.223 -0.045 0.000 2.046 559 L HA -0.076 4.263 4.340 -0.001 0.000 0.208 559 L C 2.680 179.578 176.870 0.047 0.000 1.077 559 L CA 2.253 57.052 54.840 -0.068 0.000 0.747 559 L CB -0.857 41.058 42.059 -0.240 0.000 0.896 559 L HN 0.347 nan 8.230 nan 0.000 0.432 560 A N 0.351 123.173 122.820 0.004 0.000 1.877 560 A HA -0.219 4.100 4.320 -0.001 0.000 0.216 560 A C 2.373 180.118 177.584 0.268 0.000 1.186 560 A CA 1.821 53.891 52.037 0.056 0.000 0.620 560 A CB -0.721 18.158 19.000 -0.200 0.000 0.822 560 A HN 0.606 nan 8.150 nan 0.000 0.443 561 R N -0.214 120.479 120.500 0.321 0.000 2.235 561 R HA -0.010 4.329 4.340 -0.001 0.000 0.213 561 R C 1.887 178.276 176.300 0.148 0.000 1.059 561 R CA 1.209 57.475 56.100 0.277 0.000 0.997 561 R CB -0.588 29.860 30.300 0.247 0.000 0.884 561 R HN 0.528 nan 8.270 nan 0.000 0.462 562 R N 0.485 121.058 120.500 0.123 0.000 2.148 562 R HA -0.091 4.248 4.340 -0.001 0.000 0.227 562 R C 0.555 176.824 176.300 -0.051 0.000 1.103 562 R CA 1.107 57.230 56.100 0.038 0.000 0.983 562 R CB -0.129 30.195 30.300 0.040 0.000 0.874 562 R HN 0.455 nan 8.270 nan 0.000 0.451 563 H N -1.605 117.506 119.070 0.068 0.000 2.505 563 H HA 0.165 4.720 4.556 -0.001 0.000 0.289 563 H C 0.664 176.044 175.328 0.086 0.000 1.052 563 H CA 0.660 56.749 56.048 0.068 0.000 1.156 563 H CB 1.114 30.911 29.762 0.058 0.000 1.507 563 H HN 0.550 nan 8.280 nan 0.000 0.548 564 G N 0.749 109.652 108.800 0.172 0.000 2.184 564 G HA2 -0.236 3.723 3.960 -0.001 0.000 0.206 564 G HA3 -0.236 3.723 3.960 -0.001 0.000 0.206 564 G C -0.032 174.983 174.900 0.193 0.000 0.995 564 G CA -0.184 44.999 45.100 0.138 0.000 0.651 564 G HN 0.354 nan 8.290 nan 0.000 0.511 565 W N 1.376 122.700 121.300 0.040 0.000 2.257 565 W HA 0.513 5.173 4.660 -0.001 0.000 0.337 565 W C 1.069 177.599 176.519 0.017 0.000 1.321 565 W CA 0.769 58.130 57.345 0.027 0.000 1.267 565 W CB 0.297 29.773 29.460 0.027 0.000 1.187 565 W HN 0.074 nan 8.180 nan 0.000 0.565 566 L N 5.498 126.461 121.223 -0.433 0.000 2.638 566 L HA 0.402 4.741 4.340 -0.001 0.000 0.232 566 L C 1.277 177.667 176.870 -0.799 0.000 1.099 566 L CA 0.538 55.112 54.840 -0.444 0.000 0.883 566 L CB -0.667 41.244 42.059 -0.247 0.000 1.136 566 L HN 0.779 nan 8.230 nan 0.000 0.492 567 G N 0.268 108.062 108.800 -1.677 0.000 2.373 567 G HA2 0.149 4.108 3.960 -0.001 0.000 0.634 567 G HA3 0.149 4.108 3.960 -0.001 0.000 0.634 567 G C -0.835 173.556 174.900 -0.849 0.000 1.267 567 G CA -0.507 43.473 45.100 -1.868 0.000 1.008 567 G HN -0.122 nan 8.290 nan 0.000 0.497 568 I N 0.000 120.362 120.570 -0.347 0.000 2.984 568 I HA 0.000 4.169 4.170 -0.001 0.000 0.288 568 I CA 0.000 61.275 61.300 -0.042 0.000 1.566 568 I CB 0.000 37.955 38.000 -0.075 0.000 1.214 568 I HN 0.000 nan 8.210 nan 0.000 0.494