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 3o7y_1_B DATA FIRST_RESID 117 DATA SEQUENCE THLRPYETLG AHADTMDGVT GTRFSVWAPN ARRVSVVGQF NYWDGRRHPM DATA SEQUENCE RLRKESGIWE LFIPGAHNGQ LYKYEMIDAN GNLRLKSDPY AFEAQMRPET DATA SEQUENCE ASLICGLPEK VVQTEERKKA NQFDAPISIY EVHLGSWRRH TDNNFWLSYR DATA SEQUENCE ELADQLVPYA KWMGFTHLEL LPINEHPFDG SWGYQPTGLY APTRRFGTRD DATA SEQUENCE DFRYFIDAAH AAGLNVILDW VPGHFPTDDF ALAEFDGTNL YEHSDPREXX DATA SEQUENCE XXXXNTLIYN YGRREVSNFL VGNALYWIER FGIDALRVDA VASMIYRDXX DATA SEQUENCE XXXXXXIPNE FGGRENLEAI EFLRNTNRIL GEQVSGAVTM AEESTDFPGV DATA SEQUENCE SRPQDMGGLG FWYKWNLGWM HDTLDYMKLD PVYRQYHHDK LTFGILYNYT DATA SEQUENCE ENFVLPLSHD EVVHGKKSIL DRMPGDAWQK FANLRAYYGW MWAFPGKKLL DATA SEQUENCE FMGNEFAQGR EWNHDASLDW HLLEGGDNWH HGVQRLVRDL NLTYRHHKAM DATA SEQUENCE HELDFDPYGF EWLVVDDKER SVLIFVRRDK EGNEIIVASN FTPVPRHDYR DATA SEQUENCE FGINQPGKWR EILNTDSMHY HGSNAGNGGT VHSDEIASHG RQHSLSLTLP DATA SEQUENCE PLATIWLVRE AE 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 117 T HA 0.000 nan 4.350 nan 0.000 0.228 117 T C 0.000 174.656 174.700 -0.074 0.000 1.109 117 T CA 0.000 62.027 62.100 -0.121 0.000 1.349 117 T CB 0.000 68.832 68.868 -0.061 0.000 0.612 118 H N 1.857 120.899 119.070 -0.047 0.000 2.428 118 H HA 0.450 5.005 4.556 -0.001 0.000 0.296 118 H C 2.255 177.588 175.328 0.009 0.000 1.062 118 H CA 1.339 57.373 56.048 -0.024 0.000 1.350 118 H CB -0.444 29.308 29.762 -0.015 0.000 1.403 118 H HN 0.351 nan 8.280 nan 0.000 0.533 119 L N -0.006 120.915 121.223 -0.503 0.000 2.109 119 L HA 0.049 4.389 4.340 -0.001 0.000 0.207 119 L C 0.669 177.490 176.870 -0.082 0.000 1.086 119 L CA 0.963 55.642 54.840 -0.270 0.000 0.760 119 L CB 0.003 41.863 42.059 -0.332 0.000 0.910 119 L HN 0.277 nan 8.230 nan 0.000 0.437 120 R N -0.152 120.239 120.500 -0.182 0.000 2.651 120 R HA 0.184 4.523 4.340 -0.001 0.000 0.282 120 R C -1.871 174.154 176.300 -0.458 0.000 1.565 120 R CA -1.304 54.575 56.100 -0.367 0.000 1.661 120 R CB 0.581 30.553 30.300 -0.547 0.000 1.189 120 R HN -0.011 nan 8.270 nan 0.000 0.621 121 P HA -0.211 nan 4.420 nan 0.000 0.220 121 P C 0.796 177.982 177.300 -0.189 0.000 1.148 121 P CA 1.209 64.252 63.100 -0.095 0.000 0.803 121 P CB 0.049 31.839 31.700 0.150 0.000 0.782 122 Y N 0.098 120.460 120.300 0.104 0.000 2.574 122 Y HA 0.064 4.613 4.550 -0.001 0.000 0.294 122 Y C 1.820 177.813 175.900 0.155 0.000 1.142 122 Y CA 0.310 58.481 58.100 0.118 0.000 1.314 122 Y CB -1.746 36.820 38.460 0.176 0.000 0.991 122 Y HN -0.016 nan 8.280 nan 0.000 0.555 123 E N 0.334 120.325 120.200 -0.348 0.000 2.358 123 E HA -0.057 4.293 4.350 -0.001 0.000 0.195 123 E C 1.559 177.911 176.600 -0.413 0.000 1.010 123 E CA 1.400 57.628 56.400 -0.287 0.000 0.856 123 E CB 0.160 29.642 29.700 -0.363 0.000 0.795 123 E HN 0.766 nan 8.360 nan 0.000 0.504 124 T N -2.016 112.362 114.554 -0.294 0.000 3.098 124 T HA 0.190 4.539 4.350 -0.001 0.000 0.246 124 T C 0.886 175.543 174.700 -0.072 0.000 0.983 124 T CA -0.426 61.515 62.100 -0.265 0.000 1.094 124 T CB -0.108 68.655 68.868 -0.174 0.000 1.035 124 T HN -0.115 nan 8.240 nan 0.000 0.456 125 L N 2.576 123.728 121.223 -0.118 0.000 2.483 125 L HA 0.477 4.817 4.340 -0.001 0.000 0.276 125 L C 1.436 178.286 176.870 -0.033 0.000 1.213 125 L CA 1.200 55.933 54.840 -0.179 0.000 0.843 125 L CB -0.071 41.618 42.059 -0.616 0.000 1.107 125 L HN 0.895 nan 8.230 nan 0.000 0.487 126 G N 1.971 110.811 108.800 0.067 0.000 2.451 126 G HA2 0.047 4.007 3.960 -0.001 0.000 0.208 126 G HA3 0.047 4.007 3.960 -0.001 0.000 0.208 126 G C -0.947 173.999 174.900 0.076 0.000 1.248 126 G CA -0.299 44.871 45.100 0.117 0.000 0.989 126 G HN 1.002 nan 8.290 nan 0.000 0.559 127 A N 0.401 123.122 122.820 -0.164 0.000 2.287 127 A HA 0.817 5.137 4.320 -0.001 0.000 0.317 127 A C -0.379 176.877 177.584 -0.547 0.000 1.220 127 A CA -0.295 51.475 52.037 -0.444 0.000 0.835 127 A CB 0.716 19.368 19.000 -0.579 0.000 1.180 127 A HN 1.003 nan 8.150 nan 0.000 0.500 128 H N 1.062 120.004 119.070 -0.214 0.000 2.806 128 H HA 0.553 5.108 4.556 -0.001 0.000 0.367 128 H C -0.005 175.250 175.328 -0.122 0.000 1.136 128 H CA -0.232 55.762 56.048 -0.089 0.000 1.178 128 H CB 2.144 31.889 29.762 -0.030 0.000 1.718 128 H HN 0.865 nan 8.280 nan 0.000 0.540 129 A N 2.077 124.929 122.820 0.052 0.000 2.425 129 A HA 0.335 4.655 4.320 -0.001 0.000 0.249 129 A C -0.045 177.578 177.584 0.065 0.000 1.084 129 A CA 0.447 52.504 52.037 0.034 0.000 0.781 129 A CB 0.177 19.197 19.000 0.033 0.000 1.019 129 A HN 0.734 nan 8.150 nan 0.000 0.490 130 D N -0.930 119.536 120.400 0.109 0.000 2.692 130 D HA 0.649 5.289 4.640 -0.001 0.000 0.303 130 D C -1.367 174.949 176.300 0.028 0.000 1.278 130 D CA -0.000 54.028 54.000 0.048 0.000 0.852 130 D CB 1.772 42.577 40.800 0.010 0.000 1.375 130 D HN 0.360 nan 8.370 nan 0.000 0.453 131 T N 1.211 115.664 114.554 -0.169 0.000 3.031 131 T HA 0.420 4.770 4.350 -0.001 0.000 0.305 131 T C -0.869 173.623 174.700 -0.347 0.000 0.985 131 T CA -0.444 61.550 62.100 -0.177 0.000 1.008 131 T CB 0.811 69.635 68.868 -0.073 0.000 1.005 131 T HN 0.240 nan 8.240 nan 0.000 0.444 132 M N 3.287 122.616 119.600 -0.452 0.000 2.047 132 M HA 0.371 4.851 4.480 -0.001 0.000 0.342 132 M C -0.035 176.181 176.300 -0.141 0.000 1.058 132 M CA -0.075 54.992 55.300 -0.388 0.000 0.991 132 M CB 0.214 32.475 32.600 -0.566 0.000 1.474 132 M HN 0.538 nan 8.290 nan 0.000 0.419 133 D N 3.788 124.124 120.400 -0.106 0.000 2.751 133 D HA -0.190 4.450 4.640 -0.001 0.000 0.233 133 D C 0.927 177.212 176.300 -0.025 0.000 1.149 133 D CA 2.041 56.011 54.000 -0.050 0.000 0.682 133 D CB -0.963 39.819 40.800 -0.029 0.000 1.068 133 D HN 1.162 nan 8.370 nan 0.000 0.429 134 G N -2.519 106.263 108.800 -0.029 0.000 2.175 134 G HA2 -0.265 3.694 3.960 -0.001 0.000 0.244 134 G HA3 -0.265 3.694 3.960 -0.001 0.000 0.244 134 G C 0.290 175.203 174.900 0.021 0.000 0.982 134 G CA 0.122 45.218 45.100 -0.006 0.000 0.641 134 G HN 0.676 nan 8.290 nan 0.000 0.527 135 V N 2.519 122.458 119.914 0.041 0.000 2.347 135 V HA 0.636 4.755 4.120 -0.001 0.000 0.280 135 V C 1.063 177.272 176.094 0.191 0.000 1.021 135 V CA 0.036 62.402 62.300 0.111 0.000 0.847 135 V CB 1.210 33.129 31.823 0.160 0.000 0.990 135 V HN 0.709 nan 8.190 nan 0.000 0.444 136 T N 2.468 117.117 114.554 0.159 0.000 2.828 136 T HA 0.812 5.162 4.350 -0.001 0.000 0.290 136 T C 0.347 175.200 174.700 0.254 0.000 1.019 136 T CA 0.392 62.602 62.100 0.184 0.000 1.031 136 T CB 1.744 70.663 68.868 0.085 0.000 1.001 136 T HN 1.245 nan 8.240 nan 0.000 0.531 137 G N -0.324 108.619 108.800 0.239 0.000 2.356 137 G HA2 0.472 4.431 3.960 -0.001 0.000 0.281 137 G HA3 0.472 4.431 3.960 -0.001 0.000 0.281 137 G C -0.788 174.109 174.900 -0.006 0.000 1.246 137 G CA -0.094 44.976 45.100 -0.051 0.000 0.889 137 G HN 1.271 nan 8.290 nan 0.000 0.486 138 T N -0.875 113.512 114.554 -0.279 0.000 3.109 138 T HA 0.599 4.948 4.350 -0.001 0.000 0.311 138 T C -0.698 173.794 174.700 -0.348 0.000 1.011 138 T CA -0.393 61.533 62.100 -0.290 0.000 1.026 138 T CB 1.486 70.053 68.868 -0.501 0.000 1.047 138 T HN 0.757 nan 8.240 nan 0.000 0.448 139 R N 3.735 124.175 120.500 -0.099 0.000 2.308 139 R HA 0.634 4.973 4.340 -0.001 0.000 0.305 139 R C -1.204 174.964 176.300 -0.221 0.000 1.053 139 R CA -0.347 55.776 56.100 0.039 0.000 0.957 139 R CB 0.385 30.783 30.300 0.163 0.000 1.022 139 R HN 0.531 nan 8.270 nan 0.000 0.461 140 F N 1.038 121.042 119.950 0.090 0.000 2.522 140 F HA 0.483 5.010 4.527 -0.001 0.000 0.324 140 F C -0.133 175.784 175.800 0.195 0.000 1.077 140 F CA -0.562 57.520 58.000 0.137 0.000 0.944 140 F CB 2.581 41.674 39.000 0.155 0.000 1.175 140 F HN 0.385 nan 8.300 nan 0.000 0.468 141 S N 1.365 117.303 115.700 0.397 0.000 2.592 141 S HA 0.602 5.071 4.470 -0.001 0.000 0.275 141 S C -1.706 173.019 174.600 0.209 0.000 1.169 141 S CA -0.721 57.634 58.200 0.259 0.000 0.958 141 S CB 1.967 65.272 63.200 0.175 0.000 1.095 141 S HN 0.555 nan 8.310 nan 0.000 0.471 142 V N 3.907 123.917 119.914 0.160 0.000 2.711 142 V HA 0.627 4.747 4.120 -0.001 0.000 0.304 142 V C -1.846 174.443 176.094 0.324 0.000 1.097 142 V CA -0.570 61.812 62.300 0.135 0.000 0.906 142 V CB 1.463 33.104 31.823 -0.303 0.000 1.015 142 V HN 0.976 nan 8.190 nan 0.000 0.427 143 W N 7.433 128.824 121.300 0.153 0.000 2.419 143 W HA 0.652 5.312 4.660 -0.000 0.000 0.312 143 W C 0.106 176.770 176.519 0.242 0.000 1.323 143 W CA -0.204 57.235 57.345 0.157 0.000 1.293 143 W CB 0.929 30.432 29.460 0.072 0.000 1.324 143 W HN 0.862 nan 8.180 nan 0.000 0.512 144 A N 9.378 132.254 122.820 0.094 0.000 3.422 144 A HA 0.279 4.598 4.320 -0.001 0.000 0.271 144 A C -1.631 176.014 177.584 0.103 0.000 1.104 144 A CA -0.739 51.315 52.037 0.028 0.000 0.899 144 A CB 0.329 19.442 19.000 0.188 0.000 1.309 144 A HN 0.429 nan 8.150 nan 0.000 0.580 145 P HA -0.178 nan 4.420 nan 0.000 0.216 145 P C 0.662 177.997 177.300 0.059 0.000 1.150 145 P CA 1.383 64.465 63.100 -0.030 0.000 0.843 145 P CB 0.181 31.834 31.700 -0.080 0.000 0.787 146 N N -0.828 117.886 118.700 0.024 0.000 2.280 146 N HA 0.136 4.876 4.740 -0.001 0.000 0.192 146 N C 0.777 176.337 175.510 0.083 0.000 1.109 146 N CA -0.007 53.069 53.050 0.044 0.000 0.855 146 N CB 0.169 38.650 38.487 -0.010 0.000 0.974 146 N HN 0.088 nan 8.380 nan 0.000 0.482 147 A N 1.095 123.998 122.820 0.138 0.000 2.507 147 A HA 0.113 4.433 4.320 -0.001 0.000 0.235 147 A C 1.283 178.971 177.584 0.172 0.000 1.070 147 A CA 0.064 52.140 52.037 0.064 0.000 0.768 147 A CB 0.592 19.515 19.000 -0.130 0.000 1.011 147 A HN 0.205 nan 8.150 nan 0.000 0.502 148 R N -0.503 120.020 120.500 0.040 0.000 2.156 148 R HA 0.130 4.470 4.340 -0.001 0.000 0.207 148 R C 0.441 176.802 176.300 0.103 0.000 1.040 148 R CA 0.482 56.643 56.100 0.101 0.000 1.013 148 R CB 0.225 30.545 30.300 0.033 0.000 0.931 148 R HN 0.589 nan 8.270 nan 0.000 0.465 149 R N 0.662 121.059 120.500 -0.171 0.000 2.535 149 R HA 0.304 4.644 4.340 -0.001 0.000 0.274 149 R C -2.025 173.889 176.300 -0.644 0.000 1.090 149 R CA -0.519 55.397 56.100 -0.308 0.000 0.930 149 R CB 1.931 32.166 30.300 -0.109 0.000 1.223 149 R HN -0.117 nan 8.270 nan 0.000 0.441 150 V N 1.991 121.331 119.914 -0.958 0.000 2.638 150 V HA 0.583 4.702 4.120 -0.001 0.000 0.306 150 V C -0.147 175.791 176.094 -0.259 0.000 1.052 150 V CA -0.707 61.176 62.300 -0.695 0.000 0.885 150 V CB 1.953 33.150 31.823 -1.044 0.000 0.999 150 V HN 0.759 nan 8.190 nan 0.000 0.424 151 S N 2.614 118.257 115.700 -0.095 0.000 2.600 151 S HA 0.819 5.289 4.470 -0.001 0.000 0.300 151 S C -0.844 173.814 174.600 0.096 0.000 1.087 151 S CA -0.479 57.735 58.200 0.023 0.000 0.965 151 S CB 1.980 65.186 63.200 0.009 0.000 1.089 151 S HN 0.494 nan 8.310 nan 0.000 0.496 152 V N 3.772 123.727 119.914 0.070 0.000 2.394 152 V HA 0.588 4.707 4.120 -0.001 0.000 0.282 152 V C -0.143 175.906 176.094 -0.074 0.000 1.031 152 V CA -0.571 61.703 62.300 -0.044 0.000 0.881 152 V CB 1.016 32.637 31.823 -0.337 0.000 0.982 152 V HN 0.713 nan 8.190 nan 0.000 0.451 153 V N 1.972 121.803 119.914 -0.138 0.000 2.680 153 V HA 1.140 5.260 4.120 -0.001 0.000 0.309 153 V C 0.146 175.775 176.094 -0.776 0.000 1.052 153 V CA 0.063 62.201 62.300 -0.270 0.000 0.908 153 V CB 1.271 33.115 31.823 0.036 0.000 1.001 153 V HN 1.153 nan 8.190 nan 0.000 0.431 154 G N 2.163 110.003 108.800 -1.600 0.000 2.427 154 G HA2 0.316 4.276 3.960 -0.001 0.000 0.306 154 G HA3 0.316 4.276 3.960 -0.001 0.000 0.306 154 G C -0.397 173.096 174.900 -2.346 0.000 1.280 154 G CA 0.003 43.625 45.100 -2.462 0.000 0.837 154 G HN 0.583 nan 8.290 nan 0.000 0.482 155 Q N -0.749 118.094 119.800 -1.594 0.000 2.119 155 Q HA -0.029 4.311 4.340 -0.001 0.000 0.201 155 Q C 2.187 177.647 176.000 -0.901 0.000 0.972 155 Q CA 2.069 57.307 55.803 -0.941 0.000 0.847 155 Q CB -0.285 28.210 28.738 -0.406 0.000 0.903 155 Q HN 0.618 nan 8.270 nan 0.000 0.433 156 F N -0.525 119.110 119.950 -0.525 0.000 2.583 156 F HA -0.017 4.509 4.527 -0.001 0.000 0.297 156 F C 1.244 176.839 175.800 -0.343 0.000 1.131 156 F CA 0.492 58.263 58.000 -0.381 0.000 1.467 156 F CB -0.158 38.671 39.000 -0.285 0.000 1.097 156 F HN -0.040 nan 8.300 nan 0.000 0.586 157 N N -1.220 116.988 118.700 -0.820 0.000 2.166 157 N HA 0.011 4.751 4.740 -0.001 0.000 0.213 157 N C -0.340 175.031 175.510 -0.231 0.000 1.222 157 N CA -0.132 52.673 53.050 -0.408 0.000 0.900 157 N CB -0.028 38.165 38.487 -0.490 0.000 1.055 157 N HN 0.279 nan 8.380 nan 0.000 0.515 158 Y N -0.592 119.549 120.300 -0.265 0.000 3.617 158 Y HA -0.297 4.252 4.550 -0.001 0.000 0.215 158 Y C -0.461 175.500 175.900 0.102 0.000 1.178 158 Y CA 0.608 58.690 58.100 -0.030 0.000 1.517 158 Y CB -2.717 35.762 38.460 0.032 0.000 1.457 158 Y HN 0.164 nan 8.280 nan 0.000 0.615 159 W N -1.180 120.031 121.300 -0.147 0.000 5.963 159 W HA -0.239 4.421 4.660 -0.001 0.000 0.400 159 W C 0.277 176.759 176.519 -0.062 0.000 1.530 159 W CA 0.741 58.004 57.345 -0.136 0.000 1.004 159 W CB -1.137 28.256 29.460 -0.111 0.000 2.706 159 W HN 0.393 nan 8.180 nan 0.000 1.495 160 D N 0.252 120.698 120.400 0.077 0.000 2.359 160 D HA 0.399 5.038 4.640 -0.001 0.000 0.230 160 D C 1.433 177.756 176.300 0.038 0.000 1.118 160 D CA 0.548 54.590 54.000 0.070 0.000 0.844 160 D CB 1.110 41.948 40.800 0.063 0.000 1.059 160 D HN 0.107 nan 8.370 nan 0.000 0.493 161 G N 3.838 112.661 108.800 0.039 0.000 2.509 161 G HA2 -0.236 3.723 3.960 -0.001 0.000 0.218 161 G HA3 -0.236 3.723 3.960 -0.001 0.000 0.218 161 G C 1.381 176.287 174.900 0.009 0.000 1.124 161 G CA 0.261 45.375 45.100 0.024 0.000 0.776 161 G HN 0.547 nan 8.290 nan 0.000 0.547 162 R N 0.282 120.782 120.500 0.001 0.000 2.148 162 R HA 0.081 4.421 4.340 -0.001 0.000 0.223 162 R C 2.295 178.568 176.300 -0.045 0.000 1.088 162 R CA 0.454 56.546 56.100 -0.014 0.000 0.985 162 R CB -0.319 29.972 30.300 -0.014 0.000 0.880 162 R HN 0.182 nan 8.270 nan 0.000 0.451 163 R N -0.233 120.222 120.500 -0.075 0.000 2.062 163 R HA -0.001 4.338 4.340 -0.001 0.000 0.229 163 R C 0.216 176.273 176.300 -0.405 0.000 1.128 163 R CA 0.981 56.937 56.100 -0.241 0.000 0.960 163 R CB -0.006 30.147 30.300 -0.246 0.000 0.855 163 R HN 0.389 nan 8.270 nan 0.000 0.432 164 H N 0.516 119.601 119.070 0.026 0.000 2.541 164 H HA 0.295 4.851 4.556 -0.001 0.000 0.246 164 H C -2.328 173.022 175.328 0.037 0.000 1.341 164 H CA -2.188 53.878 56.048 0.030 0.000 1.469 164 H CB 1.326 31.099 29.762 0.018 0.000 1.472 164 H HN 0.115 nan 8.280 nan 0.000 0.503 165 P HA 0.121 nan 4.420 nan 0.000 0.276 165 P C 0.291 177.701 177.300 0.184 0.000 1.230 165 P CA -0.245 62.929 63.100 0.123 0.000 0.776 165 P CB 1.190 32.950 31.700 0.101 0.000 0.888 166 M N 2.135 121.872 119.600 0.228 0.000 2.291 166 M HA 0.371 4.851 4.480 -0.001 0.000 0.324 166 M C 0.888 177.458 176.300 0.450 0.000 1.148 166 M CA -0.405 55.095 55.300 0.334 0.000 1.104 166 M CB 0.931 33.761 32.600 0.383 0.000 1.483 166 M HN 0.160 nan 8.290 nan 0.000 0.467 167 R N 2.316 123.006 120.500 0.317 0.000 2.255 167 R HA 0.429 4.769 4.340 -0.001 0.000 0.326 167 R C -1.428 174.837 176.300 -0.058 0.000 0.986 167 R CA -0.483 55.707 56.100 0.150 0.000 0.847 167 R CB 0.868 31.221 30.300 0.088 0.000 1.111 167 R HN 0.761 nan 8.270 nan 0.000 0.452 168 L N 4.792 125.725 121.223 -0.482 0.000 2.367 168 L HA 0.266 4.606 4.340 -0.001 0.000 0.275 168 L C 0.163 176.763 176.870 -0.451 0.000 1.129 168 L CA -0.036 54.220 54.840 -0.972 0.000 0.839 168 L CB 0.567 41.674 42.059 -1.586 0.000 1.133 168 L HN 0.535 nan 8.230 nan 0.000 0.453 169 R N 3.800 124.101 120.500 -0.332 0.000 2.391 169 R HA 0.073 4.413 4.340 -0.001 0.000 0.310 169 R C 0.823 177.028 176.300 -0.158 0.000 1.174 169 R CA -0.380 55.616 56.100 -0.173 0.000 1.118 169 R CB 0.607 30.855 30.300 -0.087 0.000 1.134 169 R HN 0.559 nan 8.270 nan 0.000 0.524 170 K N 2.310 122.618 120.400 -0.153 0.000 2.281 170 K HA -0.162 4.158 4.320 -0.001 0.000 0.203 170 K C 0.507 177.076 176.600 -0.051 0.000 1.046 170 K CA 1.734 57.951 56.287 -0.115 0.000 0.938 170 K CB 0.370 32.812 32.500 -0.098 0.000 0.737 170 K HN 0.633 nan 8.250 nan 0.000 0.458 171 E N -1.078 119.099 120.200 -0.039 0.000 2.418 171 E HA -0.059 4.291 4.350 -0.001 0.000 0.197 171 E C 1.184 177.790 176.600 0.010 0.000 1.026 171 E CA 1.048 57.441 56.400 -0.012 0.000 0.862 171 E CB 0.261 29.952 29.700 -0.016 0.000 0.799 171 E HN 0.391 nan 8.360 nan 0.000 0.518 172 S N -2.120 113.592 115.700 0.020 0.000 2.744 172 S HA 0.366 4.835 4.470 -0.001 0.000 0.265 172 S C 1.546 176.254 174.600 0.180 0.000 1.065 172 S CA -0.074 58.166 58.200 0.066 0.000 1.191 172 S CB 0.507 63.724 63.200 0.029 0.000 1.150 172 S HN 0.356 nan 8.310 nan 0.000 0.646 173 G N 1.865 110.731 108.800 0.109 0.000 2.153 173 G HA2 -0.218 3.742 3.960 -0.001 0.000 0.252 173 G HA3 -0.218 3.742 3.960 -0.001 0.000 0.252 173 G C -0.069 174.942 174.900 0.185 0.000 0.994 173 G CA 0.421 45.601 45.100 0.132 0.000 0.698 173 G HN 0.642 nan 8.290 nan 0.000 0.521 174 I N -0.197 120.445 120.570 0.121 0.000 2.336 174 I HA 0.430 4.599 4.170 -0.001 0.000 0.292 174 I C 0.154 176.282 176.117 0.019 0.000 0.991 174 I CA -0.891 60.513 61.300 0.174 0.000 1.227 174 I CB 0.762 38.859 38.000 0.160 0.000 1.366 174 I HN 0.057 nan 8.210 nan 0.000 0.466 175 W N 5.847 127.197 121.300 0.084 0.000 2.351 175 W HA 0.401 5.061 4.660 -0.001 0.000 0.311 175 W C 0.169 176.738 176.519 0.084 0.000 1.168 175 W CA -0.299 57.083 57.345 0.062 0.000 1.200 175 W CB 0.759 30.233 29.460 0.024 0.000 1.221 175 W HN 0.408 nan 8.180 nan 0.000 0.519 176 E N 2.511 122.880 120.200 0.282 0.000 2.308 176 E HA 0.709 5.059 4.350 -0.001 0.000 0.275 176 E C -2.181 174.568 176.600 0.248 0.000 0.890 176 E CA -1.178 55.370 56.400 0.247 0.000 0.754 176 E CB 2.181 31.983 29.700 0.170 0.000 1.207 176 E HN 0.365 nan 8.360 nan 0.000 0.426 177 L N 2.925 124.319 121.223 0.285 0.000 2.526 177 L HA 0.533 4.873 4.340 -0.001 0.000 0.263 177 L C -1.994 175.072 176.870 0.327 0.000 0.943 177 L CA -0.653 54.350 54.840 0.272 0.000 0.859 177 L CB 2.066 44.263 42.059 0.231 0.000 1.313 177 L HN 0.723 nan 8.230 nan 0.000 0.406 178 F N 5.928 125.956 119.950 0.130 0.000 2.410 178 F HA 0.714 5.241 4.527 -0.001 0.000 0.349 178 F C -0.669 175.163 175.800 0.053 0.000 1.117 178 F CA -0.453 57.596 58.000 0.083 0.000 1.104 178 F CB 0.774 39.796 39.000 0.036 0.000 1.122 178 F HN 0.338 nan 8.300 nan 0.000 0.483 179 I N 8.680 128.770 120.570 -0.800 0.000 2.382 179 I HA 0.299 4.469 4.170 -0.001 0.000 0.285 179 I C -2.267 173.194 176.117 -1.094 0.000 1.007 179 I CA -2.271 58.551 61.300 -0.797 0.000 1.142 179 I CB 1.428 39.014 38.000 -0.689 0.000 1.289 179 I HN 0.411 nan 8.210 nan 0.000 0.453 180 P HA 0.088 nan 4.420 nan 0.000 0.268 180 P C 0.878 178.009 177.300 -0.281 0.000 1.204 180 P CA 0.713 63.531 63.100 -0.471 0.000 0.768 180 P CB 1.186 32.823 31.700 -0.104 0.000 0.842 181 G N 1.910 110.607 108.800 -0.171 0.000 2.299 181 G HA2 -0.238 3.721 3.960 -0.001 0.000 0.237 181 G HA3 -0.238 3.721 3.960 -0.001 0.000 0.237 181 G C 0.421 175.271 174.900 -0.083 0.000 1.027 181 G CA 0.124 45.180 45.100 -0.074 0.000 0.619 181 G HN 0.880 nan 8.290 nan 0.000 0.513 182 A N 2.118 124.738 122.820 -0.333 0.000 2.477 182 A HA 0.604 4.923 4.320 -0.001 0.000 0.246 182 A C 0.512 177.956 177.584 -0.233 0.000 1.078 182 A CA 0.905 52.645 52.037 -0.495 0.000 0.770 182 A CB -0.095 18.267 19.000 -1.065 0.000 1.011 182 A HN 1.581 nan 8.150 nan 0.000 0.494 183 H N 0.959 119.933 119.070 -0.160 0.000 2.985 183 H HA 0.391 4.947 4.556 -0.001 0.000 0.360 183 H C -0.944 174.371 175.328 -0.021 0.000 1.221 183 H CA -1.260 54.738 56.048 -0.082 0.000 1.121 183 H CB 0.363 30.101 29.762 -0.039 0.000 1.854 183 H HN 0.536 nan 8.280 nan 0.000 0.551 184 N N -0.198 118.586 118.700 0.140 0.000 2.225 184 N HA 0.099 4.839 4.740 -0.001 0.000 0.257 184 N C 1.509 177.115 175.510 0.161 0.000 1.252 184 N CA 2.387 55.511 53.050 0.123 0.000 0.833 184 N CB 0.189 38.753 38.487 0.129 0.000 1.068 184 N HN 0.954 nan 8.380 nan 0.000 0.468 185 G N 1.015 109.880 108.800 0.107 0.000 2.234 185 G HA2 -0.273 3.686 3.960 -0.001 0.000 0.235 185 G HA3 -0.273 3.686 3.960 -0.001 0.000 0.235 185 G C 0.036 174.963 174.900 0.044 0.000 0.997 185 G CA -0.119 45.042 45.100 0.102 0.000 0.623 185 G HN 0.595 nan 8.290 nan 0.000 0.514 186 Q N 0.138 119.906 119.800 -0.053 0.000 2.299 186 Q HA 0.673 5.013 4.340 -0.001 0.000 0.246 186 Q C 0.394 176.467 176.000 0.122 0.000 0.935 186 Q CA -0.366 55.418 55.803 -0.031 0.000 0.887 186 Q CB 1.275 29.949 28.738 -0.106 0.000 1.223 186 Q HN 0.441 nan 8.270 nan 0.000 0.439 187 L N 3.039 124.302 121.223 0.067 0.000 2.357 187 L HA 0.497 4.837 4.340 -0.001 0.000 0.273 187 L C -0.650 176.215 176.870 -0.009 0.000 1.080 187 L CA -0.647 54.258 54.840 0.108 0.000 0.803 187 L CB 0.313 42.492 42.059 0.199 0.000 1.174 187 L HN 0.646 nan 8.230 nan 0.000 0.443 188 Y N 0.119 120.376 120.300 -0.072 0.000 2.624 188 Y HA 0.732 5.282 4.550 -0.001 0.000 0.334 188 Y C -1.350 174.519 175.900 -0.050 0.000 1.155 188 Y CA -1.372 56.596 58.100 -0.221 0.000 1.046 188 Y CB 1.495 39.920 38.460 -0.059 0.000 1.316 188 Y HN 0.395 nan 8.280 nan 0.000 0.457 189 K N 0.727 121.096 120.400 -0.050 0.000 2.499 189 K HA 0.508 4.827 4.320 -0.001 0.000 0.277 189 K C -2.140 174.336 176.600 -0.205 0.000 1.025 189 K CA -1.140 55.067 56.287 -0.133 0.000 0.900 189 K CB 2.603 35.155 32.500 0.087 0.000 1.494 189 K HN 0.733 nan 8.250 nan 0.000 0.442 190 Y N 0.883 121.248 120.300 0.109 0.000 2.335 190 Y HA 0.230 4.780 4.550 -0.001 0.000 0.338 190 Y C -0.043 175.836 175.900 -0.035 0.000 0.977 190 Y CA -0.557 57.569 58.100 0.042 0.000 1.114 190 Y CB 1.697 40.190 38.460 0.055 0.000 1.182 190 Y HN 0.412 nan 8.280 nan 0.000 0.463 191 E N 5.800 126.057 120.200 0.095 0.000 2.167 191 E HA 0.353 4.703 4.350 -0.001 0.000 0.284 191 E C -0.900 175.652 176.600 -0.079 0.000 1.016 191 E CA -0.603 55.797 56.400 0.001 0.000 0.817 191 E CB 0.708 30.411 29.700 0.004 0.000 1.080 191 E HN 0.717 nan 8.360 nan 0.000 0.397 192 M N 4.222 123.741 119.600 -0.135 0.000 2.530 192 M HA 0.454 4.934 4.480 -0.001 0.000 0.307 192 M C -1.410 174.779 176.300 -0.185 0.000 1.161 192 M CA -0.889 54.278 55.300 -0.223 0.000 0.903 192 M CB 1.460 33.880 32.600 -0.298 0.000 1.711 192 M HN 0.232 nan 8.290 nan 0.000 0.451 193 I N 3.102 123.558 120.570 -0.189 0.000 2.312 193 I HA 0.244 4.413 4.170 -0.001 0.000 0.291 193 I C 0.121 176.156 176.117 -0.137 0.000 1.031 193 I CA -0.058 61.161 61.300 -0.136 0.000 1.293 193 I CB 0.340 38.283 38.000 -0.096 0.000 1.403 193 I HN 0.793 nan 8.210 nan 0.000 0.484 194 D N 4.274 124.600 120.400 -0.123 0.000 2.341 194 D HA -0.028 4.612 4.640 -0.001 0.000 0.233 194 D C 1.189 177.451 176.300 -0.062 0.000 1.270 194 D CA 0.334 54.272 54.000 -0.103 0.000 0.883 194 D CB 0.846 41.587 40.800 -0.098 0.000 1.207 194 D HN 0.659 nan 8.370 nan 0.000 0.471 195 A N 1.715 124.505 122.820 -0.049 0.000 2.067 195 A HA -0.149 4.171 4.320 -0.001 0.000 0.219 195 A C 1.302 178.870 177.584 -0.027 0.000 1.158 195 A CA 1.038 53.061 52.037 -0.024 0.000 0.661 195 A CB -0.196 18.791 19.000 -0.021 0.000 0.801 195 A HN 0.549 nan 8.150 nan 0.000 0.452 196 N N -0.924 117.751 118.700 -0.042 0.000 2.230 196 N HA 0.189 4.929 4.740 -0.001 0.000 0.202 196 N C 0.965 176.448 175.510 -0.044 0.000 1.119 196 N CA 0.772 53.797 53.050 -0.040 0.000 0.851 196 N CB 0.679 39.138 38.487 -0.047 0.000 0.990 196 N HN 0.578 nan 8.380 nan 0.000 0.497 197 G N 1.380 110.152 108.800 -0.047 0.000 2.143 197 G HA2 -0.261 3.699 3.960 -0.001 0.000 0.249 197 G HA3 -0.261 3.699 3.960 -0.001 0.000 0.249 197 G C -0.274 174.590 174.900 -0.061 0.000 0.981 197 G CA -0.319 44.752 45.100 -0.047 0.000 0.665 197 G HN 0.412 nan 8.290 nan 0.000 0.528 198 N N 0.467 119.121 118.700 -0.077 0.000 2.472 198 N HA 0.420 5.160 4.740 -0.001 0.000 0.277 198 N C -0.112 175.335 175.510 -0.104 0.000 1.081 198 N CA -0.734 52.261 53.050 -0.091 0.000 0.973 198 N CB 1.386 39.809 38.487 -0.107 0.000 1.105 198 N HN 0.116 nan 8.380 nan 0.000 0.470 199 L N 3.564 124.729 121.223 -0.096 0.000 2.319 199 L HA 0.306 4.645 4.340 -0.001 0.000 0.280 199 L C -0.422 176.380 176.870 -0.114 0.000 1.099 199 L CA 0.379 55.160 54.840 -0.097 0.000 0.828 199 L CB 0.069 42.083 42.059 -0.075 0.000 1.150 199 L HN 0.591 nan 8.230 nan 0.000 0.442 200 R N 5.615 126.039 120.500 -0.127 0.000 2.673 200 R HA 0.501 4.841 4.340 -0.001 0.000 0.281 200 R C -1.153 175.079 176.300 -0.112 0.000 0.991 200 R CA -0.790 55.227 56.100 -0.139 0.000 0.896 200 R CB 1.978 32.166 30.300 -0.186 0.000 1.201 200 R HN 0.637 nan 8.270 nan 0.000 0.457 201 L N 3.816 124.988 121.223 -0.086 0.000 2.257 201 L HA 0.409 4.749 4.340 -0.001 0.000 0.290 201 L C -0.001 176.844 176.870 -0.041 0.000 1.044 201 L CA -0.617 54.194 54.840 -0.047 0.000 0.810 201 L CB 0.801 42.837 42.059 -0.039 0.000 1.193 201 L HN 0.160 nan 8.230 nan 0.000 0.425 202 K N 2.598 122.990 120.400 -0.014 0.000 2.244 202 K HA 0.434 4.754 4.320 -0.001 0.000 0.260 202 K C -0.414 176.262 176.600 0.127 0.000 0.951 202 K CA -0.598 55.696 56.287 0.011 0.000 0.826 202 K CB 2.004 34.413 32.500 -0.152 0.000 1.108 202 K HN 0.367 nan 8.250 nan 0.000 0.433 203 S N 1.516 117.288 115.700 0.120 0.000 2.572 203 S HA -0.023 4.447 4.470 -0.001 0.000 0.279 203 S C 0.088 174.847 174.600 0.265 0.000 1.341 203 S CA -0.343 57.913 58.200 0.094 0.000 1.043 203 S CB 0.454 63.684 63.200 0.049 0.000 0.887 203 S HN 0.444 nan 8.310 nan 0.000 0.516 204 D N 2.065 122.572 120.400 0.177 0.000 2.358 204 D HA 0.174 4.814 4.640 -0.001 0.000 0.258 204 D C -1.583 174.861 176.300 0.240 0.000 1.223 204 D CA -2.028 52.212 54.000 0.401 0.000 0.886 204 D CB 1.086 42.113 40.800 0.379 0.000 1.120 204 D HN 0.098 nan 8.370 nan 0.000 0.482 205 P HA -0.131 nan 4.420 nan 0.000 0.218 205 P C 0.095 177.427 177.300 0.053 0.000 1.146 205 P CA 1.138 64.253 63.100 0.024 0.000 0.813 205 P CB -0.033 31.501 31.700 -0.276 0.000 0.778 206 Y N -0.962 119.342 120.300 0.007 0.000 2.811 206 Y HA 0.444 4.993 4.550 -0.001 0.000 0.330 206 Y C 0.869 176.322 175.900 -0.745 0.000 1.081 206 Y CA -0.992 56.871 58.100 -0.395 0.000 1.408 206 Y CB -0.528 37.657 38.460 -0.459 0.000 1.235 206 Y HN -0.153 nan 8.280 nan 0.000 0.529 207 A N -0.146 122.530 122.820 -0.240 0.000 2.492 207 A HA 0.216 4.536 4.320 -0.001 0.000 0.254 207 A C 0.143 177.568 177.584 -0.265 0.000 1.091 207 A CA -0.022 51.874 52.037 -0.234 0.000 0.768 207 A CB -0.115 18.838 19.000 -0.078 0.000 1.028 207 A HN 0.532 nan 8.150 nan 0.000 0.498 208 F N 0.593 120.642 119.950 0.166 0.000 2.754 208 F HA 0.261 4.788 4.527 -0.001 0.000 0.297 208 F C 1.063 176.996 175.800 0.222 0.000 1.122 208 F CA 0.552 58.676 58.000 0.208 0.000 1.400 208 F CB 0.186 39.315 39.000 0.216 0.000 1.117 208 F HN 0.665 nan 8.300 nan 0.000 0.587 209 E N -0.384 119.985 120.200 0.282 0.000 2.366 209 E HA 0.706 5.055 4.350 -0.001 0.000 0.278 209 E C -1.435 175.229 176.600 0.106 0.000 0.923 209 E CA -0.785 55.738 56.400 0.206 0.000 0.761 209 E CB 2.270 32.098 29.700 0.213 0.000 1.231 209 E HN -0.025 nan 8.360 nan 0.000 0.443 210 A N 2.479 125.339 122.820 0.066 0.000 2.485 210 A HA 0.512 4.832 4.320 -0.001 0.000 0.292 210 A C -0.779 176.806 177.584 0.001 0.000 1.147 210 A CA -0.640 51.403 52.037 0.010 0.000 0.750 210 A CB 1.588 20.580 19.000 -0.013 0.000 1.331 210 A HN 0.618 nan 8.150 nan 0.000 0.419 211 Q N -0.188 119.601 119.800 -0.019 0.000 2.492 211 Q HA 0.086 4.425 4.340 -0.001 0.000 0.238 211 Q C 1.106 177.076 176.000 -0.051 0.000 1.045 211 Q CA -0.293 55.496 55.803 -0.023 0.000 0.934 211 Q CB 0.481 29.203 28.738 -0.027 0.000 1.276 211 Q HN 0.794 nan 8.270 nan 0.000 0.521 212 M N 2.304 121.875 119.600 -0.047 0.000 2.088 212 M HA -0.216 4.264 4.480 -0.001 0.000 0.256 212 M C -0.021 176.220 176.300 -0.098 0.000 1.071 212 M CA 1.685 56.945 55.300 -0.068 0.000 1.097 212 M CB -0.493 32.081 32.600 -0.042 0.000 1.315 212 M HN 0.682 nan 8.290 nan 0.000 0.406 213 R N -0.479 119.965 120.500 -0.093 0.000 2.989 213 R HA -0.177 4.163 4.340 -0.001 0.000 0.686 213 R C -2.467 173.803 176.300 -0.050 0.000 0.544 213 R CA 0.899 56.957 56.100 -0.070 0.000 2.054 213 R CB -3.268 26.998 30.300 -0.058 0.000 0.690 213 R HN 0.318 nan 8.270 nan 0.000 0.652 214 P HA 0.328 nan 4.420 nan 0.000 0.213 214 P C -0.533 176.724 177.300 -0.072 0.000 1.840 214 P CA -0.208 62.858 63.100 -0.056 0.000 1.192 214 P CB 0.595 32.268 31.700 -0.046 0.000 1.717 215 E N -0.368 119.783 120.200 -0.082 0.000 2.646 215 E HA 0.077 4.426 4.350 -0.001 0.000 0.207 215 E C 0.464 177.012 176.600 -0.086 0.000 0.922 215 E CA 0.121 56.470 56.400 -0.085 0.000 1.482 215 E CB 0.461 30.102 29.700 -0.098 0.000 1.509 215 E HN 0.134 nan 8.360 nan 0.000 0.831 216 T N 0.458 114.963 114.554 -0.083 0.000 2.986 216 T HA 0.334 4.683 4.350 -0.001 0.000 0.264 216 T C 0.497 175.155 174.700 -0.069 0.000 0.964 216 T CA 0.390 62.444 62.100 -0.076 0.000 0.895 216 T CB 0.726 69.550 68.868 -0.073 0.000 1.163 216 T HN 0.225 nan 8.240 nan 0.000 0.517 217 A N 1.509 124.293 122.820 -0.059 0.000 2.448 217 A HA 0.589 4.909 4.320 -0.001 0.000 0.239 217 A C 0.496 178.014 177.584 -0.109 0.000 1.080 217 A CA -0.097 51.915 52.037 -0.040 0.000 0.779 217 A CB 0.187 19.254 19.000 0.110 0.000 1.026 217 A HN 0.362 nan 8.150 nan 0.000 0.499 218 S N -0.438 115.091 115.700 -0.285 0.000 2.646 218 S HA 0.551 5.020 4.470 -0.001 0.000 0.276 218 S C -0.331 174.140 174.600 -0.215 0.000 1.222 218 S CA -0.467 57.520 58.200 -0.355 0.000 1.014 218 S CB 1.109 63.867 63.200 -0.736 0.000 0.991 218 S HN 0.721 nan 8.310 nan 0.000 0.533 219 L N 2.126 123.351 121.223 0.003 0.000 2.322 219 L HA 0.592 4.932 4.340 -0.001 0.000 0.281 219 L C -1.017 176.039 176.870 0.310 0.000 1.014 219 L CA -0.705 54.232 54.840 0.162 0.000 0.815 219 L CB 0.711 42.849 42.059 0.131 0.000 1.247 219 L HN 0.608 nan 8.230 nan 0.000 0.421 220 I N 5.178 125.958 120.570 0.350 0.000 2.533 220 I HA 0.229 4.399 4.170 -0.001 0.000 0.284 220 I C -0.048 176.167 176.117 0.164 0.000 1.109 220 I CA 0.081 61.523 61.300 0.237 0.000 1.412 220 I CB 0.186 38.217 38.000 0.050 0.000 1.396 220 I HN 0.817 nan 8.210 nan 0.000 0.543 221 C N 3.106 122.510 119.300 0.173 0.000 3.275 221 C HA 0.719 5.179 4.460 -0.001 0.000 0.340 221 C C 0.421 175.495 174.990 0.139 0.000 1.366 221 C CA -0.748 58.361 59.018 0.152 0.000 1.227 221 C CB 0.509 28.360 27.740 0.185 0.000 1.512 221 C HN 0.860 nan 8.230 nan 0.000 0.461 222 G N -0.047 108.802 108.800 0.082 0.000 2.486 222 G HA2 0.515 4.474 3.960 -0.001 0.000 0.272 222 G HA3 0.515 4.474 3.960 -0.001 0.000 0.272 222 G C -0.827 174.017 174.900 -0.093 0.000 1.426 222 G CA -0.451 44.664 45.100 0.026 0.000 1.058 222 G HN 0.779 nan 8.290 nan 0.000 0.531 223 L N 1.322 122.461 121.223 -0.140 0.000 2.350 223 L HA 0.395 4.735 4.340 -0.001 0.000 0.275 223 L C -1.586 175.188 176.870 -0.160 0.000 1.099 223 L CA -1.526 53.180 54.840 -0.222 0.000 0.808 223 L CB 0.920 42.910 42.059 -0.114 0.000 1.149 223 L HN 0.265 nan 8.230 nan 0.000 0.442 224 P HA 0.107 nan 4.420 nan 0.000 0.271 224 P C -0.712 176.458 177.300 -0.216 0.000 1.233 224 P CA -0.562 62.374 63.100 -0.273 0.000 0.789 224 P CB 0.431 31.801 31.700 -0.550 0.000 0.951 225 E N 0.765 120.865 120.200 -0.167 0.000 2.392 225 E HA 0.023 4.373 4.350 -0.001 0.000 0.264 225 E C -0.088 176.422 176.600 -0.150 0.000 1.024 225 E CA 0.149 56.473 56.400 -0.126 0.000 0.903 225 E CB 0.168 29.813 29.700 -0.093 0.000 0.963 225 E HN 0.142 nan 8.360 nan 0.000 0.432 226 K N 1.351 121.687 120.400 -0.107 0.000 2.485 226 K HA 0.070 4.390 4.320 -0.001 0.000 0.277 226 K C -0.805 175.739 176.600 -0.095 0.000 0.990 226 K CA -0.014 56.215 56.287 -0.097 0.000 0.994 226 K CB 0.565 33.031 32.500 -0.057 0.000 0.906 226 K HN 0.230 nan 8.250 nan 0.000 0.488 227 V N 3.857 123.716 119.914 -0.092 0.000 2.384 227 V HA 0.133 4.252 4.120 -0.001 0.000 0.287 227 V C 0.055 176.110 176.094 -0.065 0.000 1.020 227 V CA -0.980 61.275 62.300 -0.074 0.000 0.850 227 V CB 1.551 33.337 31.823 -0.061 0.000 0.987 227 V HN 0.439 nan 8.190 nan 0.000 0.436 228 V N 4.684 124.557 119.914 -0.068 0.000 2.614 228 V HA 0.175 4.294 4.120 -0.001 0.000 0.291 228 V C 0.400 176.437 176.094 -0.094 0.000 1.049 228 V CA -0.146 62.111 62.300 -0.071 0.000 1.038 228 V CB 1.256 33.040 31.823 -0.065 0.000 0.980 228 V HN 0.967 nan 8.190 nan 0.000 0.481 229 Q N 2.827 122.568 119.800 -0.098 0.000 2.286 229 Q HA 0.308 4.648 4.340 -0.001 0.000 0.257 229 Q C 0.274 176.195 176.000 -0.132 0.000 0.941 229 Q CA -0.506 55.216 55.803 -0.135 0.000 0.912 229 Q CB 1.113 29.776 28.738 -0.124 0.000 1.192 229 Q HN 0.962 nan 8.270 nan 0.000 0.410 230 T N 0.661 115.115 114.554 -0.167 0.000 2.882 230 T HA 0.148 4.497 4.350 -0.001 0.000 0.287 230 T C 0.936 175.567 174.700 -0.115 0.000 1.014 230 T CA -0.845 61.174 62.100 -0.135 0.000 1.049 230 T CB 0.989 69.767 68.868 -0.151 0.000 1.001 230 T HN 0.583 nan 8.240 nan 0.000 0.525 231 E N 1.147 121.294 120.200 -0.087 0.000 2.085 231 E HA -0.145 4.205 4.350 -0.001 0.000 0.194 231 E C 2.000 178.555 176.600 -0.075 0.000 0.994 231 E CA 1.457 57.815 56.400 -0.071 0.000 0.801 231 E CB -0.294 29.374 29.700 -0.053 0.000 0.743 231 E HN 0.806 nan 8.360 nan 0.000 0.453 232 E N 0.342 120.492 120.200 -0.083 0.000 2.118 232 E HA -0.147 4.203 4.350 -0.001 0.000 0.195 232 E C 2.108 178.648 176.600 -0.101 0.000 0.992 232 E CA 1.075 57.426 56.400 -0.082 0.000 0.804 232 E CB -0.155 29.494 29.700 -0.085 0.000 0.741 232 E HN 0.158 nan 8.360 nan 0.000 0.458 233 R N 0.459 120.874 120.500 -0.140 0.000 2.161 233 R HA 0.074 4.413 4.340 -0.001 0.000 0.213 233 R C 1.956 178.180 176.300 -0.128 0.000 1.055 233 R CA 0.726 56.725 56.100 -0.168 0.000 0.996 233 R CB 0.002 30.144 30.300 -0.263 0.000 0.901 233 R HN 0.137 nan 8.270 nan 0.000 0.456 234 K N 1.060 121.395 120.400 -0.108 0.000 2.057 234 K HA -0.160 4.160 4.320 -0.001 0.000 0.206 234 K C 2.022 178.587 176.600 -0.059 0.000 1.050 234 K CA 1.187 57.421 56.287 -0.088 0.000 0.935 234 K CB -0.090 32.364 32.500 -0.077 0.000 0.715 234 K HN 0.018 nan 8.250 nan 0.000 0.439 235 K N 1.630 122.001 120.400 -0.048 0.000 2.097 235 K HA -0.096 4.224 4.320 -0.001 0.000 0.206 235 K C 2.018 178.618 176.600 0.001 0.000 1.049 235 K CA 1.287 57.561 56.287 -0.022 0.000 0.933 235 K CB -0.133 32.353 32.500 -0.024 0.000 0.717 235 K HN 0.124 nan 8.250 nan 0.000 0.442 236 A N 0.432 123.248 122.820 -0.007 0.000 2.168 236 A HA -0.050 4.270 4.320 -0.001 0.000 0.215 236 A C 1.374 179.048 177.584 0.151 0.000 1.152 236 A CA 1.296 53.362 52.037 0.048 0.000 0.716 236 A CB -0.514 18.482 19.000 -0.007 0.000 0.794 236 A HN 0.542 nan 8.150 nan 0.000 0.465 237 N N -0.742 118.010 118.700 0.087 0.000 2.373 237 N HA 0.019 4.758 4.740 -0.001 0.000 0.181 237 N C 0.155 175.712 175.510 0.078 0.000 1.082 237 N CA -0.173 52.943 53.050 0.110 0.000 0.885 237 N CB 0.157 38.644 38.487 0.000 0.000 0.977 237 N HN 0.618 nan 8.380 nan 0.000 0.462 238 Q N -0.167 119.656 119.800 0.038 0.000 2.417 238 Q HA 0.074 4.413 4.340 -0.001 0.000 0.241 238 Q C 0.342 176.447 176.000 0.176 0.000 1.008 238 Q CA -0.125 55.666 55.803 -0.020 0.000 0.901 238 Q CB 0.574 29.317 28.738 0.009 0.000 1.259 238 Q HN 0.269 nan 8.270 nan 0.000 0.489 239 F N 0.851 121.003 119.950 0.337 0.000 2.250 239 F HA -0.209 4.318 4.527 -0.001 0.000 0.301 239 F C 1.687 177.717 175.800 0.383 0.000 1.077 239 F CA 0.783 59.064 58.000 0.469 0.000 1.348 239 F CB -0.004 39.223 39.000 0.379 0.000 1.040 239 F HN 0.634 nan 8.300 nan 0.000 0.509 240 D N -0.100 120.536 120.400 0.394 0.000 2.328 240 D HA 0.159 4.799 4.640 -0.001 0.000 0.221 240 D C 0.413 176.862 176.300 0.249 0.000 1.072 240 D CA 0.117 54.279 54.000 0.269 0.000 0.850 240 D CB -0.442 40.473 40.800 0.192 0.000 0.922 240 D HN 0.089 nan 8.370 nan 0.000 0.516 241 A N 1.426 124.364 122.820 0.196 0.000 2.304 241 A HA 0.566 4.885 4.320 -0.001 0.000 0.301 241 A C -2.469 175.055 177.584 -0.099 0.000 1.132 241 A CA -1.550 50.514 52.037 0.044 0.000 0.819 241 A CB 0.548 19.580 19.000 0.053 0.000 1.094 241 A HN 0.017 nan 8.150 nan 0.000 0.492 242 P HA 0.299 nan 4.420 nan 0.000 0.271 242 P C -0.967 176.286 177.300 -0.079 0.000 1.226 242 P CA 0.591 63.319 63.100 -0.619 0.000 0.765 242 P CB 0.390 31.451 31.700 -1.066 0.000 0.835 243 I N 2.236 122.884 120.570 0.130 0.000 2.439 243 I HA 0.240 4.410 4.170 -0.001 0.000 0.283 243 I C -0.038 176.100 176.117 0.035 0.000 1.023 243 I CA -0.393 60.909 61.300 0.003 0.000 1.100 243 I CB 1.876 39.758 38.000 -0.197 0.000 1.238 243 I HN 0.239 nan 8.210 nan 0.000 0.445 244 S N 7.702 123.472 115.700 0.116 0.000 2.707 244 S HA 0.654 5.124 4.470 -0.001 0.000 0.303 244 S C -0.816 173.998 174.600 0.357 0.000 1.132 244 S CA -0.414 57.878 58.200 0.153 0.000 1.046 244 S CB 0.731 64.074 63.200 0.238 0.000 1.004 244 S HN 0.444 nan 8.310 nan 0.000 0.483 245 I N 4.818 125.520 120.570 0.220 0.000 2.377 245 I HA 0.355 4.525 4.170 -0.001 0.000 0.293 245 I C -0.740 175.423 176.117 0.078 0.000 0.987 245 I CA -0.866 60.533 61.300 0.166 0.000 1.185 245 I CB 1.451 39.464 38.000 0.022 0.000 1.341 245 I HN 0.668 nan 8.210 nan 0.000 0.455 246 Y N 6.244 126.340 120.300 -0.340 0.000 2.385 246 Y HA 0.280 4.830 4.550 -0.001 0.000 0.341 246 Y C 0.143 175.892 175.900 -0.252 0.000 0.965 246 Y CA -0.511 57.181 58.100 -0.681 0.000 1.180 246 Y CB 0.841 38.632 38.460 -1.115 0.000 1.139 246 Y HN 0.556 nan 8.280 nan 0.000 0.502 247 E N 5.397 125.376 120.200 -0.369 0.000 2.197 247 E HA 0.524 4.874 4.350 -0.001 0.000 0.281 247 E C -1.770 174.611 176.600 -0.366 0.000 0.995 247 E CA -0.555 55.749 56.400 -0.160 0.000 0.808 247 E CB 1.348 31.130 29.700 0.135 0.000 1.093 247 E HN 0.515 nan 8.360 nan 0.000 0.394 248 V N 4.498 124.279 119.914 -0.222 0.000 2.733 248 V HA 0.144 4.263 4.120 -0.001 0.000 0.306 248 V C -0.652 175.411 176.094 -0.052 0.000 1.084 248 V CA -0.854 61.269 62.300 -0.295 0.000 0.905 248 V CB 1.843 33.447 31.823 -0.365 0.000 1.010 248 V HN 0.725 nan 8.190 nan 0.000 0.424 249 H N 4.931 123.941 119.070 -0.100 0.000 2.640 249 H HA 0.374 4.930 4.556 -0.001 0.000 0.297 249 H C 0.556 175.909 175.328 0.041 0.000 1.073 249 H CA -0.444 55.619 56.048 0.025 0.000 1.305 249 H CB 1.437 31.298 29.762 0.165 0.000 1.404 249 H HN 0.660 nan 8.280 nan 0.000 0.459 250 L N 3.530 124.508 121.223 -0.410 0.000 2.191 250 L HA -0.092 4.247 4.340 -0.001 0.000 0.212 250 L C 2.390 178.904 176.870 -0.593 0.000 1.103 250 L CA 1.351 55.825 54.840 -0.610 0.000 0.769 250 L CB -0.227 41.208 42.059 -1.041 0.000 0.908 250 L HN 0.705 nan 8.230 nan 0.000 0.438 251 G N -1.141 107.393 108.800 -0.445 0.000 2.744 251 G HA2 -0.104 3.856 3.960 -0.001 0.000 0.211 251 G HA3 -0.104 3.856 3.960 -0.001 0.000 0.211 251 G C 1.221 176.471 174.900 0.582 0.000 1.143 251 G CA 0.808 45.999 45.100 0.152 0.000 0.788 251 G HN 0.498 nan 8.290 nan 0.000 0.534 252 S N -2.528 113.511 115.700 0.564 0.000 2.893 252 S HA 0.067 4.537 4.470 -0.001 0.000 0.258 252 S C 1.122 176.021 174.600 0.498 0.000 1.034 252 S CA -0.352 58.229 58.200 0.635 0.000 1.167 252 S CB -0.391 63.350 63.200 0.902 0.000 1.137 252 S HN 0.381 nan 8.310 nan 0.000 0.650 253 W N 2.999 124.436 121.300 0.228 0.000 2.408 253 W HA 0.344 5.004 4.660 -0.001 0.000 0.311 253 W C 0.761 177.504 176.519 0.374 0.000 1.190 253 W CA 0.903 58.375 57.345 0.213 0.000 1.321 253 W CB 0.184 29.700 29.460 0.094 0.000 1.143 253 W HN 0.132 nan 8.180 nan 0.000 0.501 254 R N 0.028 120.676 120.500 0.246 0.000 2.799 254 R HA 0.415 4.755 4.340 -0.001 0.000 0.270 254 R C -1.037 175.331 176.300 0.114 0.000 1.010 254 R CA -0.992 55.126 56.100 0.031 0.000 0.916 254 R CB 2.003 32.147 30.300 -0.260 0.000 1.228 254 R HN -0.318 nan 8.270 nan 0.000 0.469 255 R N 0.652 121.179 120.500 0.045 0.000 2.744 255 R HA 0.325 4.664 4.340 -0.001 0.000 0.279 255 R C -0.848 175.432 176.300 -0.033 0.000 0.977 255 R CA -1.013 55.124 56.100 0.061 0.000 0.906 255 R CB 1.353 31.718 30.300 0.109 0.000 1.197 255 R HN 0.668 nan 8.270 nan 0.000 0.463 256 H N 0.083 119.210 119.070 0.096 0.000 2.897 256 H HA 0.013 4.568 4.556 -0.001 0.000 0.347 256 H C 1.061 176.366 175.328 -0.039 0.000 1.068 256 H CA 0.832 56.900 56.048 0.033 0.000 1.426 256 H CB 0.857 30.657 29.762 0.063 0.000 1.410 256 H HN 0.465 nan 8.280 nan 0.000 0.597 257 T N 2.062 116.667 114.554 0.084 0.000 2.635 257 T HA -0.193 4.156 4.350 -0.001 0.000 0.267 257 T C 0.963 175.634 174.700 -0.048 0.000 1.040 257 T CA 2.010 64.113 62.100 0.005 0.000 1.156 257 T CB -0.128 68.741 68.868 0.002 0.000 0.863 257 T HN 0.610 nan 8.240 nan 0.000 0.430 258 D N 1.113 121.454 120.400 -0.097 0.000 2.129 258 D HA -0.002 4.638 4.640 -0.001 0.000 0.220 258 D C 2.038 178.209 176.300 -0.215 0.000 0.988 258 D CA 0.740 54.652 54.000 -0.146 0.000 0.904 258 D CB -0.225 40.473 40.800 -0.170 0.000 1.018 258 D HN 0.386 nan 8.370 nan 0.000 0.444 259 N N 0.855 119.303 118.700 -0.419 0.000 2.609 259 N HA -0.157 4.583 4.740 -0.001 0.000 0.190 259 N C 0.047 175.284 175.510 -0.454 0.000 1.157 259 N CA 0.684 53.354 53.050 -0.633 0.000 0.918 259 N CB -0.196 37.321 38.487 -1.617 0.000 0.978 259 N HN 0.134 nan 8.380 nan 0.000 0.448 260 N N -0.349 118.204 118.700 -0.246 0.000 2.741 260 N HA -0.175 4.565 4.740 -0.001 0.000 0.250 260 N C -1.070 174.494 175.510 0.089 0.000 1.115 260 N CA 0.208 53.225 53.050 -0.055 0.000 0.724 260 N CB -1.906 36.555 38.487 -0.043 0.000 1.090 260 N HN 0.365 nan 8.380 nan 0.000 0.558 261 F N 0.045 120.032 119.950 0.061 0.000 2.506 261 F HA 0.123 4.650 4.527 -0.001 0.000 0.351 261 F C 1.355 177.299 175.800 0.240 0.000 1.136 261 F CA -1.149 56.903 58.000 0.087 0.000 1.298 261 F CB 0.302 39.401 39.000 0.165 0.000 1.145 261 F HN -0.060 nan 8.300 nan 0.000 0.593 262 W N 3.740 125.287 121.300 0.413 0.000 2.253 262 W HA 0.024 4.683 4.660 -0.000 0.000 0.348 262 W C 0.034 176.736 176.519 0.304 0.000 1.267 262 W CA -0.686 56.850 57.345 0.318 0.000 1.298 262 W CB -0.040 29.631 29.460 0.352 0.000 1.181 262 W HN 0.229 nan 8.180 nan 0.000 0.585 263 L N 3.239 124.678 121.223 0.359 0.000 2.397 263 L HA 0.091 4.431 4.340 -0.001 0.000 0.271 263 L C 1.144 178.139 176.870 0.208 0.000 1.148 263 L CA -0.329 54.632 54.840 0.202 0.000 0.825 263 L CB 0.427 42.502 42.059 0.027 0.000 1.117 263 L HN 0.397 nan 8.230 nan 0.000 0.456 264 S N 1.166 117.006 115.700 0.234 0.000 2.617 264 S HA 0.087 4.557 4.470 -0.001 0.000 0.259 264 S C 0.904 175.522 174.600 0.030 0.000 1.301 264 S CA -0.363 57.914 58.200 0.128 0.000 0.984 264 S CB 0.302 63.608 63.200 0.176 0.000 0.954 264 S HN 0.426 nan 8.310 nan 0.000 0.572 265 Y N 0.615 120.991 120.300 0.125 0.000 2.352 265 Y HA 0.002 4.551 4.550 -0.001 0.000 0.292 265 Y C 2.737 178.740 175.900 0.172 0.000 1.136 265 Y CA 1.088 59.215 58.100 0.044 0.000 1.227 265 Y CB -0.416 38.149 38.460 0.176 0.000 0.991 265 Y HN 0.556 nan 8.280 nan 0.000 0.545 266 R N 0.075 120.762 120.500 0.311 0.000 2.090 266 R HA -0.129 4.210 4.340 -0.001 0.000 0.228 266 R C 1.921 178.370 176.300 0.247 0.000 1.110 266 R CA 1.477 57.724 56.100 0.246 0.000 0.973 266 R CB -0.319 30.016 30.300 0.058 0.000 0.869 266 R HN 0.431 nan 8.270 nan 0.000 0.440 267 E N 0.910 121.233 120.200 0.205 0.000 2.072 267 E HA -0.125 4.224 4.350 -0.001 0.000 0.191 267 E C 2.022 178.732 176.600 0.183 0.000 0.985 267 E CA 0.885 57.399 56.400 0.190 0.000 0.801 267 E CB -0.051 29.767 29.700 0.197 0.000 0.750 267 E HN 0.214 nan 8.360 nan 0.000 0.452 268 L N 0.345 121.659 121.223 0.151 0.000 2.141 268 L HA -0.142 4.198 4.340 -0.001 0.000 0.209 268 L C 2.415 179.478 176.870 0.322 0.000 1.094 268 L CA 0.918 55.827 54.840 0.115 0.000 0.763 268 L CB -0.323 41.636 42.059 -0.165 0.000 0.908 268 L HN 0.150 nan 8.230 nan 0.000 0.437 269 A N -0.776 122.327 122.820 0.471 0.000 2.067 269 A HA -0.172 4.148 4.320 -0.001 0.000 0.219 269 A C 1.770 179.496 177.584 0.237 0.000 1.158 269 A CA 1.578 53.870 52.037 0.425 0.000 0.661 269 A CB -0.272 19.025 19.000 0.495 0.000 0.801 269 A HN 0.324 nan 8.150 nan 0.000 0.452 270 D N -1.279 119.260 120.400 0.230 0.000 2.346 270 D HA 0.038 4.677 4.640 -0.001 0.000 0.206 270 D C 1.870 178.257 176.300 0.145 0.000 1.001 270 D CA 0.802 54.904 54.000 0.171 0.000 0.871 270 D CB 0.221 41.119 40.800 0.163 0.000 0.943 270 D HN 0.642 nan 8.370 nan 0.000 0.518 271 Q N -0.767 119.130 119.800 0.161 0.000 2.534 271 Q HA 0.124 4.464 4.340 -0.001 0.000 0.252 271 Q C 1.679 177.793 176.000 0.189 0.000 0.850 271 Q CA -0.145 55.772 55.803 0.191 0.000 0.974 271 Q CB 0.510 29.392 28.738 0.241 0.000 1.205 271 Q HN 0.026 nan 8.270 nan 0.000 0.593 272 L N 0.745 121.949 121.223 -0.031 0.000 2.068 272 L HA -0.011 4.329 4.340 -0.001 0.000 0.204 272 L C 1.987 178.845 176.870 -0.020 0.000 1.076 272 L CA 1.366 55.965 54.840 -0.401 0.000 0.753 272 L CB -0.464 41.173 42.059 -0.703 0.000 0.910 272 L HN -0.024 nan 8.230 nan 0.000 0.439 273 V N 0.987 120.926 119.914 0.041 0.000 2.233 273 V HA -0.194 3.926 4.120 -0.001 0.000 0.247 273 V C 0.002 176.142 176.094 0.078 0.000 1.050 273 V CA 2.458 64.765 62.300 0.012 0.000 1.010 273 V CB -1.850 29.922 31.823 -0.083 0.000 0.637 273 V HN 0.346 nan 8.190 nan 0.000 0.444 274 P HA -0.209 nan 4.420 nan 0.000 0.216 274 P C 1.559 178.995 177.300 0.226 0.000 1.150 274 P CA 1.595 64.780 63.100 0.142 0.000 0.843 274 P CB -0.144 31.627 31.700 0.118 0.000 0.787 275 Y N 0.661 121.051 120.300 0.150 0.000 2.181 275 Y HA -0.149 4.401 4.550 -0.000 0.000 0.288 275 Y C 2.353 178.388 175.900 0.226 0.000 1.146 275 Y CA 1.858 60.098 58.100 0.233 0.000 1.164 275 Y CB -0.837 37.821 38.460 0.331 0.000 0.982 275 Y HN -0.112 nan 8.280 nan 0.000 0.515 276 A N -0.040 122.890 122.820 0.183 0.000 2.016 276 A HA -0.077 4.242 4.320 -0.001 0.000 0.217 276 A C 2.250 179.917 177.584 0.140 0.000 1.162 276 A CA 1.272 53.358 52.037 0.083 0.000 0.662 276 A CB -0.567 18.497 19.000 0.105 0.000 0.812 276 A HN 0.476 nan 8.150 nan 0.000 0.450 277 K N -0.941 119.537 120.400 0.129 0.000 2.007 277 K HA -0.164 4.156 4.320 -0.001 0.000 0.206 277 K C 1.981 178.652 176.600 0.118 0.000 1.047 277 K CA 1.262 57.620 56.287 0.118 0.000 0.937 277 K CB -0.361 32.206 32.500 0.111 0.000 0.718 277 K HN 0.736 nan 8.250 nan 0.000 0.438 278 W N 1.003 122.272 121.300 -0.050 0.000 2.321 278 W HA -0.243 4.417 4.660 -0.000 0.000 0.306 278 W C 1.399 177.838 176.519 -0.133 0.000 1.217 278 W CA 0.948 58.248 57.345 -0.075 0.000 1.257 278 W CB 0.015 29.434 29.460 -0.067 0.000 1.145 278 W HN 0.137 nan 8.180 nan 0.000 0.509 279 M N 0.350 119.871 119.600 -0.132 0.000 2.557 279 M HA 0.020 4.499 4.480 -0.001 0.000 0.259 279 M C 1.844 177.900 176.300 -0.407 0.000 1.086 279 M CA 1.724 56.846 55.300 -0.296 0.000 1.096 279 M CB -1.612 30.849 32.600 -0.232 0.000 1.424 279 M HN 0.291 nan 8.290 nan 0.000 0.488 280 G N 0.284 108.927 108.800 -0.262 0.000 2.141 280 G HA2 -0.247 3.712 3.960 -0.001 0.000 0.242 280 G HA3 -0.247 3.712 3.960 -0.001 0.000 0.242 280 G C 0.001 174.788 174.900 -0.187 0.000 0.982 280 G CA -0.381 44.577 45.100 -0.238 0.000 0.662 280 G HN 0.389 nan 8.290 nan 0.000 0.527 281 F N 0.641 120.600 119.950 0.014 0.000 2.444 281 F HA 0.440 4.967 4.527 -0.001 0.000 0.331 281 F C 2.077 177.943 175.800 0.110 0.000 1.167 281 F CA 0.870 58.928 58.000 0.096 0.000 1.262 281 F CB 1.034 40.095 39.000 0.102 0.000 1.196 281 F HN 0.097 nan 8.300 nan 0.000 0.583 282 T N -3.258 111.528 114.554 0.387 0.000 3.015 282 T HA 0.182 4.532 4.350 -0.001 0.000 0.250 282 T C 0.241 175.126 174.700 0.309 0.000 1.057 282 T CA 0.300 62.592 62.100 0.320 0.000 1.066 282 T CB -0.248 68.846 68.868 0.376 0.000 0.959 282 T HN 0.540 nan 8.240 nan 0.000 0.488 283 H N -0.203 118.963 119.070 0.160 0.000 2.806 283 H HA 0.562 5.118 4.556 -0.001 0.000 0.367 283 H C -1.625 173.759 175.328 0.093 0.000 1.136 283 H CA -1.151 54.955 56.048 0.096 0.000 1.178 283 H CB 2.173 31.975 29.762 0.068 0.000 1.718 283 H HN 0.009 nan 8.280 nan 0.000 0.540 284 L N 2.011 123.323 121.223 0.148 0.000 2.309 284 L HA 0.238 4.578 4.340 -0.001 0.000 0.282 284 L C 0.094 177.023 176.870 0.099 0.000 1.036 284 L CA -0.122 54.777 54.840 0.097 0.000 0.806 284 L CB 1.372 43.456 42.059 0.042 0.000 1.220 284 L HN 0.689 nan 8.230 nan 0.000 0.429 285 E N 4.317 124.557 120.200 0.068 0.000 2.191 285 E HA 0.499 4.849 4.350 -0.001 0.000 0.263 285 E C -1.656 174.978 176.600 0.057 0.000 0.881 285 E CA -0.568 55.886 56.400 0.090 0.000 0.757 285 E CB 1.077 30.861 29.700 0.139 0.000 1.147 285 E HN 0.541 nan 8.360 nan 0.000 0.414 286 L N 4.713 125.970 121.223 0.057 0.000 2.295 286 L HA 0.378 4.718 4.340 -0.001 0.000 0.285 286 L C -0.142 176.732 176.870 0.007 0.000 1.035 286 L CA -1.131 53.722 54.840 0.023 0.000 0.806 286 L CB 0.820 42.900 42.059 0.034 0.000 1.214 286 L HN 0.516 nan 8.230 nan 0.000 0.426 287 L N 4.196 125.422 121.223 0.004 0.000 2.492 287 L HA 0.121 4.461 4.340 -0.001 0.000 0.280 287 L C -1.961 174.833 176.870 -0.125 0.000 1.240 287 L CA -0.723 54.092 54.840 -0.042 0.000 0.831 287 L CB -0.464 41.621 42.059 0.043 0.000 1.100 287 L HN 0.370 nan 8.230 nan 0.000 0.505 288 P HA -0.004 nan 4.420 nan 0.000 0.263 288 P C 0.112 177.296 177.300 -0.194 0.000 1.195 288 P CA 0.069 62.998 63.100 -0.285 0.000 0.762 288 P CB 0.299 31.742 31.700 -0.430 0.000 0.799 289 I N 0.589 121.019 120.570 -0.233 0.000 3.883 289 I HA 0.090 4.260 4.170 -0.001 0.000 0.326 289 I C 0.629 176.647 176.117 -0.165 0.000 1.283 289 I CA -0.610 60.566 61.300 -0.206 0.000 1.161 289 I CB -1.713 36.040 38.000 -0.410 0.000 1.012 289 I HN 0.186 nan 8.210 nan 0.000 0.421 290 N N 1.849 120.487 118.700 -0.103 0.000 2.395 290 N HA -0.082 4.658 4.740 -0.001 0.000 0.246 290 N C 0.049 175.639 175.510 0.132 0.000 1.246 290 N CA -0.416 52.674 53.050 0.066 0.000 0.879 290 N CB 0.575 39.126 38.487 0.106 0.000 1.098 290 N HN 0.198 nan 8.380 nan 0.000 0.444 291 E N 1.214 121.467 120.200 0.089 0.000 2.442 291 E HA -0.066 4.284 4.350 -0.001 0.000 0.262 291 E C -0.688 175.956 176.600 0.074 0.000 1.004 291 E CA 0.419 56.824 56.400 0.008 0.000 0.928 291 E CB 0.283 29.972 29.700 -0.017 0.000 0.937 291 E HN 0.731 nan 8.360 nan 0.000 0.446 292 H N 2.351 121.366 119.070 -0.092 0.000 3.112 292 H HA 0.240 4.796 4.556 -0.001 0.000 0.347 292 H C -2.583 172.664 175.328 -0.135 0.000 1.188 292 H CA -1.714 54.279 56.048 -0.091 0.000 1.240 292 H CB 1.277 31.006 29.762 -0.054 0.000 1.920 292 H HN 0.324 nan 8.280 nan 0.000 0.535 293 P HA 0.134 nan 4.420 nan 0.000 0.222 293 P C -0.198 176.810 177.300 -0.486 0.000 1.157 293 P CA 0.582 63.417 63.100 -0.442 0.000 0.816 293 P CB 0.500 31.797 31.700 -0.672 0.000 0.813 294 F N 0.225 120.241 119.950 0.110 0.000 2.467 294 F HA 0.238 4.765 4.527 -0.001 0.000 0.336 294 F C 1.162 177.097 175.800 0.225 0.000 1.123 294 F CA -0.926 57.147 58.000 0.121 0.000 0.964 294 F CB 1.519 40.550 39.000 0.051 0.000 1.136 294 F HN -0.340 nan 8.300 nan 0.000 0.447 295 D N 2.213 122.876 120.400 0.438 0.000 2.144 295 D HA -0.099 4.541 4.640 -0.001 0.000 0.199 295 D C 2.288 178.743 176.300 0.258 0.000 0.984 295 D CA 1.208 55.498 54.000 0.485 0.000 0.834 295 D CB -0.283 40.890 40.800 0.621 0.000 0.955 295 D HN 0.774 nan 8.370 nan 0.000 0.465 296 G N 0.285 109.113 108.800 0.048 0.000 2.708 296 G HA2 -0.164 3.796 3.960 -0.001 0.000 0.210 296 G HA3 -0.164 3.796 3.960 -0.001 0.000 0.210 296 G C 1.472 176.021 174.900 -0.584 0.000 1.141 296 G CA 0.998 45.844 45.100 -0.423 0.000 0.788 296 G HN 0.396 nan 8.290 nan 0.000 0.531 297 S N -1.138 114.398 115.700 -0.273 0.000 2.527 297 S HA -0.021 4.449 4.470 -0.001 0.000 0.222 297 S C 1.255 175.720 174.600 -0.226 0.000 0.985 297 S CA 0.596 58.597 58.200 -0.332 0.000 0.921 297 S CB -0.485 62.656 63.200 -0.099 0.000 0.772 297 S HN 0.603 nan 8.310 nan 0.000 0.529 298 W N 0.410 121.714 121.300 0.006 0.000 2.902 298 W HA -0.242 4.418 4.660 -0.001 0.000 0.278 298 W C 1.303 177.732 176.519 -0.149 0.000 1.066 298 W CA 0.511 57.907 57.345 0.085 0.000 0.570 298 W CB -2.441 27.128 29.460 0.181 0.000 2.092 298 W HN 0.999 nan 8.180 nan 0.000 1.423 299 G N -2.503 106.013 108.800 -0.473 0.000 2.253 299 G HA2 -0.329 3.631 3.960 -0.001 0.000 0.209 299 G HA3 -0.329 3.631 3.960 -0.001 0.000 0.209 299 G C 0.442 174.942 174.900 -0.667 0.000 0.997 299 G CA 0.095 44.616 45.100 -0.966 0.000 0.640 299 G HN 0.328 nan 8.290 nan 0.000 0.496 300 Y N 1.155 121.297 120.300 -0.264 0.000 2.583 300 Y HA 0.323 4.873 4.550 -0.001 0.000 0.293 300 Y C 1.855 177.545 175.900 -0.350 0.000 1.157 300 Y CA 1.244 59.148 58.100 -0.326 0.000 1.315 300 Y CB 0.472 38.707 38.460 -0.375 0.000 1.021 300 Y HN 0.312 nan 8.280 nan 0.000 0.536 301 Q N 1.900 121.622 119.800 -0.130 0.000 2.721 301 Q HA 0.225 4.564 4.340 -0.001 0.000 0.257 301 Q C -2.563 173.433 176.000 -0.006 0.000 1.070 301 Q CA -2.213 53.563 55.803 -0.045 0.000 0.910 301 Q CB 1.042 29.778 28.738 -0.003 0.000 1.163 301 Q HN 0.070 nan 8.270 nan 0.000 0.501 302 P HA 0.031 nan 4.420 nan 0.000 0.274 302 P C 0.256 177.563 177.300 0.012 0.000 1.237 302 P CA 0.035 63.151 63.100 0.027 0.000 0.793 302 P CB 1.573 33.287 31.700 0.024 0.000 0.977 303 T N -2.603 111.963 114.554 0.019 0.000 2.964 303 T HA 0.297 4.647 4.350 -0.001 0.000 0.250 303 T C 0.904 175.610 174.700 0.010 0.000 0.982 303 T CA 0.087 62.180 62.100 -0.012 0.000 0.959 303 T CB -0.265 68.583 68.868 -0.033 0.000 1.141 303 T HN 0.519 nan 8.240 nan 0.000 0.494 304 G N 1.706 110.530 108.800 0.040 0.000 2.814 304 G HA2 0.558 4.518 3.960 -0.001 0.000 0.300 304 G HA3 0.558 4.518 3.960 -0.001 0.000 0.300 304 G C 0.370 175.333 174.900 0.106 0.000 1.406 304 G CA -0.495 44.647 45.100 0.070 0.000 1.041 304 G HN 0.140 nan 8.290 nan 0.000 0.532 305 L N 1.609 122.890 121.223 0.097 0.000 2.201 305 L HA 0.021 4.361 4.340 -0.001 0.000 0.212 305 L C 1.473 178.312 176.870 -0.051 0.000 1.105 305 L CA 1.508 56.351 54.840 0.005 0.000 0.775 305 L CB -0.372 41.571 42.059 -0.193 0.000 0.913 305 L HN 0.655 nan 8.230 nan 0.000 0.440 306 Y N -0.809 119.474 120.300 -0.027 0.000 2.458 306 Y HA 0.328 4.878 4.550 -0.001 0.000 0.256 306 Y C 1.094 177.062 175.900 0.114 0.000 1.159 306 Y CA -0.243 57.753 58.100 -0.173 0.000 1.261 306 Y CB 0.363 38.599 38.460 -0.373 0.000 1.119 306 Y HN 0.003 nan 8.280 nan 0.000 0.524 307 A N 1.743 124.737 122.820 0.290 0.000 2.249 307 A HA 0.518 4.838 4.320 -0.001 0.000 0.314 307 A C -2.685 175.048 177.584 0.249 0.000 1.290 307 A CA -1.837 50.365 52.037 0.276 0.000 0.893 307 A CB 0.066 19.165 19.000 0.166 0.000 1.165 307 A HN -0.106 nan 8.150 nan 0.000 0.530 308 P HA 0.106 nan 4.420 nan 0.000 0.271 308 P C 0.443 177.736 177.300 -0.013 0.000 1.216 308 P CA 0.190 63.260 63.100 -0.051 0.000 0.776 308 P CB 0.529 32.019 31.700 -0.349 0.000 0.881 309 T N 1.852 116.363 114.554 -0.072 0.000 2.932 309 T HA -0.009 4.340 4.350 -0.001 0.000 0.312 309 T C 1.323 175.927 174.700 -0.160 0.000 1.071 309 T CA 0.028 62.035 62.100 -0.155 0.000 1.128 309 T CB 0.097 68.766 68.868 -0.332 0.000 0.984 309 T HN 0.260 nan 8.240 nan 0.000 0.549 310 R N 2.457 122.823 120.500 -0.222 0.000 2.275 310 R HA 0.246 4.586 4.340 -0.001 0.000 0.199 310 R C 2.401 178.499 176.300 -0.337 0.000 0.989 310 R CA 0.931 56.937 56.100 -0.157 0.000 1.016 310 R CB -0.231 30.013 30.300 -0.094 0.000 0.918 310 R HN 0.698 nan 8.270 nan 0.000 0.473 311 R N -0.840 119.233 120.500 -0.713 0.000 2.140 311 R HA -0.178 4.162 4.340 -0.001 0.000 0.250 311 R C 0.583 176.265 176.300 -1.030 0.000 1.150 311 R CA 2.202 57.582 56.100 -1.199 0.000 0.966 311 R CB -0.243 28.626 30.300 -2.384 0.000 0.869 311 R HN 0.288 nan 8.270 nan 0.000 0.445 312 F N -1.029 118.576 119.950 -0.576 0.000 2.654 312 F HA 0.404 4.930 4.527 -0.001 0.000 0.303 312 F C 0.949 176.512 175.800 -0.396 0.000 1.099 312 F CA 0.036 57.632 58.000 -0.674 0.000 1.270 312 F CB 1.233 39.466 39.000 -1.278 0.000 1.024 312 F HN 0.174 nan 8.300 nan 0.000 0.548 313 G N 0.587 109.387 108.800 -0.000 0.000 2.298 313 G HA2 0.104 4.064 3.960 -0.001 0.000 0.309 313 G HA3 0.104 4.064 3.960 -0.001 0.000 0.309 313 G C -0.535 174.566 174.900 0.335 0.000 1.279 313 G CA -0.637 44.597 45.100 0.224 0.000 1.042 313 G HN 0.214 nan 8.290 nan 0.000 0.480 314 T N -1.734 113.012 114.554 0.320 0.000 2.874 314 T HA 0.528 4.878 4.350 -0.001 0.000 0.281 314 T C 1.725 176.617 174.700 0.320 0.000 0.994 314 T CA 0.721 62.983 62.100 0.270 0.000 1.015 314 T CB 1.589 70.581 68.868 0.207 0.000 1.028 314 T HN 1.433 nan 8.240 nan 0.000 0.523 315 R N 0.981 121.666 120.500 0.310 0.000 2.113 315 R HA -0.181 4.159 4.340 -0.001 0.000 0.244 315 R C 1.369 177.921 176.300 0.419 0.000 1.142 315 R CA 2.246 58.594 56.100 0.413 0.000 0.953 315 R CB -1.367 29.222 30.300 0.483 0.000 0.860 315 R HN 0.628 nan 8.270 nan 0.000 0.438 316 D N 0.486 121.057 120.400 0.284 0.000 2.178 316 D HA -0.125 4.514 4.640 -0.001 0.000 0.201 316 D C 1.242 177.674 176.300 0.222 0.000 0.980 316 D CA 1.385 55.512 54.000 0.211 0.000 0.842 316 D CB -0.394 40.492 40.800 0.143 0.000 0.948 316 D HN 0.346 nan 8.370 nan 0.000 0.472 317 D N -0.078 120.467 120.400 0.241 0.000 2.117 317 D HA -0.155 4.485 4.640 -0.001 0.000 0.197 317 D C 1.828 178.268 176.300 0.233 0.000 0.987 317 D CA 0.425 54.587 54.000 0.270 0.000 0.829 317 D CB -0.519 40.509 40.800 0.379 0.000 0.961 317 D HN 0.211 nan 8.370 nan 0.000 0.460 318 F N 1.942 121.773 119.950 -0.198 0.000 2.171 318 F HA -0.163 4.364 4.527 -0.001 0.000 0.300 318 F C 2.268 178.074 175.800 0.011 0.000 1.090 318 F CA 1.202 58.823 58.000 -0.632 0.000 1.293 318 F CB -0.099 38.444 39.000 -0.763 0.000 1.013 318 F HN -0.209 nan 8.300 nan 0.000 0.486 319 R N -0.441 120.106 120.500 0.078 0.000 2.090 319 R HA -0.206 4.133 4.340 -0.001 0.000 0.228 319 R C 2.203 178.484 176.300 -0.033 0.000 1.110 319 R CA 1.948 58.057 56.100 0.015 0.000 0.973 319 R CB -1.685 28.671 30.300 0.095 0.000 0.869 319 R HN 0.506 nan 8.270 nan 0.000 0.440 320 Y N -0.107 120.176 120.300 -0.028 0.000 2.224 320 Y HA -0.197 4.353 4.550 -0.000 0.000 0.289 320 Y C 1.780 177.668 175.900 -0.020 0.000 1.146 320 Y CA 1.950 60.045 58.100 -0.009 0.000 1.182 320 Y CB -0.383 38.114 38.460 0.063 0.000 0.983 320 Y HN 0.186 nan 8.280 nan 0.000 0.524 321 F N 0.318 120.297 119.950 0.048 0.000 2.075 321 F HA -0.260 4.267 4.527 -0.000 0.000 0.297 321 F C 1.919 177.547 175.800 -0.288 0.000 1.113 321 F CA 1.607 59.575 58.000 -0.054 0.000 1.218 321 F CB -0.472 38.555 39.000 0.045 0.000 0.984 321 F HN -0.019 nan 8.300 nan 0.000 0.472 322 I N 1.104 121.320 120.570 -0.590 0.000 2.208 322 I HA -0.307 3.863 4.170 -0.001 0.000 0.245 322 I C 2.040 177.692 176.117 -0.775 0.000 1.097 322 I CA 1.539 62.377 61.300 -0.770 0.000 1.363 322 I CB -1.624 35.995 38.000 -0.634 0.000 1.051 322 I HN 0.211 nan 8.210 nan 0.000 0.413 323 D N 0.991 121.085 120.400 -0.510 0.000 2.149 323 D HA -0.124 4.516 4.640 -0.001 0.000 0.198 323 D C 2.276 178.331 176.300 -0.408 0.000 0.990 323 D CA 1.600 55.374 54.000 -0.377 0.000 0.839 323 D CB -0.095 40.527 40.800 -0.295 0.000 0.948 323 D HN 0.338 nan 8.370 nan 0.000 0.460 324 A N 0.826 123.332 122.820 -0.523 0.000 1.933 324 A HA -0.026 4.294 4.320 -0.001 0.000 0.218 324 A C 2.293 179.658 177.584 -0.365 0.000 1.175 324 A CA 2.080 53.852 52.037 -0.441 0.000 0.628 324 A CB -0.616 18.139 19.000 -0.409 0.000 0.814 324 A HN 0.236 nan 8.150 nan 0.000 0.444 325 A N -0.761 121.750 122.820 -0.515 0.000 1.898 325 A HA -0.161 4.159 4.320 -0.001 0.000 0.216 325 A C 1.910 179.366 177.584 -0.213 0.000 1.181 325 A CA 1.595 53.378 52.037 -0.422 0.000 0.620 325 A CB -0.987 17.652 19.000 -0.602 0.000 0.819 325 A HN 0.751 nan 8.150 nan 0.000 0.442 326 H N -0.906 118.013 119.070 -0.252 0.000 2.387 326 H HA 0.002 4.558 4.556 -0.000 0.000 0.299 326 H C 2.326 177.561 175.328 -0.155 0.000 1.090 326 H CA 0.697 56.630 56.048 -0.193 0.000 1.332 326 H CB 0.072 29.723 29.762 -0.186 0.000 1.386 326 H HN 0.569 nan 8.280 nan 0.000 0.516 327 A N 0.652 123.448 122.820 -0.039 0.000 2.119 327 A HA 0.181 4.501 4.320 -0.001 0.000 0.216 327 A C 2.221 179.775 177.584 -0.050 0.000 1.152 327 A CA 0.830 52.833 52.037 -0.057 0.000 0.708 327 A CB -0.186 18.760 19.000 -0.090 0.000 0.805 327 A HN 0.420 nan 8.150 nan 0.000 0.460 328 A N -1.500 121.285 122.820 -0.057 0.000 2.251 328 A HA 0.436 4.755 4.320 -0.001 0.000 0.209 328 A C 1.581 179.154 177.584 -0.018 0.000 1.187 328 A CA 0.993 53.012 52.037 -0.030 0.000 0.823 328 A CB -0.774 18.207 19.000 -0.031 0.000 0.846 328 A HN 1.758 nan 8.150 nan 0.000 0.486 329 G N -0.906 107.878 108.800 -0.027 0.000 2.142 329 G HA2 -0.178 3.782 3.960 -0.001 0.000 0.225 329 G HA3 -0.178 3.782 3.960 -0.001 0.000 0.225 329 G C -0.181 174.699 174.900 -0.032 0.000 1.015 329 G CA 0.245 45.328 45.100 -0.029 0.000 0.716 329 G HN 0.501 nan 8.290 nan 0.000 0.508 330 L N 0.077 121.278 121.223 -0.037 0.000 2.329 330 L HA 0.464 4.804 4.340 -0.001 0.000 0.279 330 L C 0.637 177.456 176.870 -0.084 0.000 1.014 330 L CA -0.962 53.843 54.840 -0.058 0.000 0.814 330 L CB 1.399 43.431 42.059 -0.045 0.000 1.257 330 L HN 0.117 nan 8.230 nan 0.000 0.424 331 N N 0.811 119.355 118.700 -0.261 0.000 2.467 331 N HA 0.421 5.161 4.740 -0.001 0.000 0.262 331 N C -1.123 174.283 175.510 -0.173 0.000 1.234 331 N CA -0.448 52.420 53.050 -0.303 0.000 0.952 331 N CB 1.918 39.943 38.487 -0.769 0.000 1.158 331 N HN 0.193 nan 8.380 nan 0.000 0.463 332 V N 2.908 122.787 119.914 -0.058 0.000 2.487 332 V HA 0.434 4.553 4.120 -0.001 0.000 0.298 332 V C -0.086 176.028 176.094 0.033 0.000 1.028 332 V CA -0.623 61.661 62.300 -0.026 0.000 0.860 332 V CB 1.491 33.254 31.823 -0.101 0.000 0.991 332 V HN 0.487 nan 8.190 nan 0.000 0.427 333 I N 5.374 125.992 120.570 0.080 0.000 2.377 333 I HA 0.424 4.593 4.170 -0.001 0.000 0.293 333 I C -0.822 175.331 176.117 0.060 0.000 0.987 333 I CA -0.749 60.607 61.300 0.094 0.000 1.185 333 I CB 1.746 39.838 38.000 0.153 0.000 1.341 333 I HN 0.329 nan 8.210 nan 0.000 0.455 334 L N 5.908 127.144 121.223 0.022 0.000 2.296 334 L HA 0.457 4.797 4.340 -0.001 0.000 0.286 334 L C -0.578 176.312 176.870 0.032 0.000 1.023 334 L CA -0.326 54.489 54.840 -0.041 0.000 0.812 334 L CB 0.912 42.852 42.059 -0.199 0.000 1.223 334 L HN 0.406 nan 8.230 nan 0.000 0.421 335 D N 4.195 124.615 120.400 0.033 0.000 2.401 335 D HA 0.081 4.720 4.640 -0.001 0.000 0.254 335 D C -1.073 175.299 176.300 0.120 0.000 1.192 335 D CA 0.647 54.703 54.000 0.093 0.000 0.885 335 D CB 0.215 41.054 40.800 0.065 0.000 1.147 335 D HN 0.486 nan 8.370 nan 0.000 0.478 336 W N 3.854 125.155 121.300 0.002 0.000 2.587 336 W HA 0.419 5.078 4.660 -0.001 0.000 0.324 336 W C -0.661 175.932 176.519 0.123 0.000 1.040 336 W CA -1.188 56.170 57.345 0.021 0.000 1.222 336 W CB 1.150 30.644 29.460 0.057 0.000 1.381 336 W HN 0.123 nan 8.180 nan 0.000 0.483 337 V N 5.744 125.515 119.914 -0.240 0.000 2.611 337 V HA 0.388 4.508 4.120 -0.001 0.000 0.286 337 V C -1.780 174.183 176.094 -0.218 0.000 1.118 337 V CA -1.331 60.919 62.300 -0.083 0.000 1.334 337 V CB 0.365 32.283 31.823 0.158 0.000 1.555 337 V HN 0.551 nan 8.190 nan 0.000 0.594 338 P HA 0.119 nan 4.420 nan 0.000 0.242 338 P C 1.265 178.566 177.300 0.002 0.000 1.197 338 P CA 1.125 63.979 63.100 -0.410 0.000 0.765 338 P CB 0.324 31.624 31.700 -0.667 0.000 0.936 339 G N -1.298 107.480 108.800 -0.037 0.000 2.986 339 G HA2 -0.002 3.957 3.960 -0.001 0.000 0.213 339 G HA3 -0.002 3.957 3.960 -0.001 0.000 0.213 339 G C -0.198 174.581 174.900 -0.202 0.000 1.156 339 G CA 0.018 45.072 45.100 -0.077 0.000 0.763 339 G HN 0.359 nan 8.290 nan 0.000 0.547 340 H N -0.621 118.578 119.070 0.215 0.000 2.718 340 H HA 0.377 4.933 4.556 -0.001 0.000 0.295 340 H C -1.125 174.279 175.328 0.125 0.000 1.051 340 H CA -0.952 55.195 56.048 0.165 0.000 1.260 340 H CB 1.137 30.972 29.762 0.121 0.000 1.403 340 H HN 0.064 nan 8.280 nan 0.000 0.488 341 F N 4.419 124.333 119.950 -0.060 0.000 2.572 341 F HA 0.174 4.700 4.527 -0.001 0.000 0.370 341 F C -1.870 173.842 175.800 -0.147 0.000 1.103 341 F CA -2.050 55.715 58.000 -0.392 0.000 1.286 341 F CB 0.642 39.329 39.000 -0.522 0.000 1.105 341 F HN 0.379 nan 8.300 nan 0.000 0.583 342 P HA 0.034 nan 4.420 nan 0.000 0.263 342 P C 0.036 177.354 177.300 0.030 0.000 1.195 342 P CA 0.406 63.393 63.100 -0.188 0.000 0.762 342 P CB 0.544 32.057 31.700 -0.312 0.000 0.799 343 T N -2.159 112.414 114.554 0.033 0.000 3.003 343 T HA 0.171 4.520 4.350 -0.001 0.000 0.261 343 T C 0.254 174.919 174.700 -0.057 0.000 1.003 343 T CA -0.093 62.025 62.100 0.031 0.000 0.917 343 T CB 0.087 68.977 68.868 0.036 0.000 1.084 343 T HN 0.181 nan 8.240 nan 0.000 0.522 344 D N 2.209 122.571 120.400 -0.062 0.000 2.181 344 D HA 0.290 4.929 4.640 -0.001 0.000 0.248 344 D C -0.261 175.928 176.300 -0.184 0.000 1.020 344 D CA -0.194 53.745 54.000 -0.102 0.000 0.891 344 D CB 1.296 42.077 40.800 -0.031 0.000 1.187 344 D HN 0.011 nan 8.370 nan 0.000 0.443 345 D N 0.830 121.055 120.400 -0.291 0.000 3.059 345 D HA -0.241 4.399 4.640 -0.001 0.000 0.220 345 D C 0.057 176.307 176.300 -0.083 0.000 1.169 345 D CA 0.473 54.354 54.000 -0.199 0.000 0.902 345 D CB -1.482 39.265 40.800 -0.088 0.000 1.116 345 D HN 0.474 nan 8.370 nan 0.000 0.417 346 F N -2.364 117.601 119.950 0.025 0.000 2.970 346 F HA -0.295 4.232 4.527 -0.001 0.000 0.251 346 F C 1.808 177.634 175.800 0.043 0.000 0.993 346 F CA 0.629 58.649 58.000 0.034 0.000 0.869 346 F CB -1.993 37.012 39.000 0.009 0.000 0.762 346 F HN 0.247 nan 8.300 nan 0.000 0.817 347 A N -0.605 122.285 122.820 0.117 0.000 1.873 347 A HA 0.076 4.395 4.320 -0.001 0.000 0.215 347 A C 1.980 179.652 177.584 0.146 0.000 1.186 347 A CA 2.026 54.121 52.037 0.097 0.000 0.616 347 A CB -0.158 18.844 19.000 0.004 0.000 0.823 347 A HN 0.441 nan 8.150 nan 0.000 0.442 348 L N -2.432 118.846 121.223 0.091 0.000 2.766 348 L HA 0.476 4.816 4.340 -0.001 0.000 0.241 348 L C 1.208 178.298 176.870 0.367 0.000 1.080 348 L CA 0.791 55.674 54.840 0.072 0.000 0.909 348 L CB -0.082 41.697 42.059 -0.467 0.000 1.277 348 L HN 0.272 nan 8.230 nan 0.000 0.510 349 A N 0.394 123.466 122.820 0.420 0.000 2.498 349 A HA 0.212 4.532 4.320 -0.001 0.000 0.239 349 A C 0.496 178.254 177.584 0.289 0.000 1.068 349 A CA 0.173 52.446 52.037 0.394 0.000 0.766 349 A CB -0.364 18.821 19.000 0.309 0.000 1.003 349 A HN 0.455 nan 8.150 nan 0.000 0.497 350 E N 0.657 120.985 120.200 0.213 0.000 2.269 350 E HA -0.286 4.064 4.350 -0.001 0.000 0.223 350 E C 0.077 176.758 176.600 0.136 0.000 1.244 350 E CA 0.676 57.153 56.400 0.128 0.000 0.713 350 E CB -1.721 28.009 29.700 0.050 0.000 1.178 350 E HN 0.760 nan 8.360 nan 0.000 0.370 351 F N 2.288 122.292 119.950 0.089 0.000 2.095 351 F HA -0.200 4.327 4.527 -0.000 0.000 0.298 351 F C 2.052 177.846 175.800 -0.009 0.000 1.104 351 F CA 2.248 60.293 58.000 0.076 0.000 1.232 351 F CB 0.247 39.357 39.000 0.183 0.000 0.987 351 F HN 0.175 nan 8.300 nan 0.000 0.475 352 D N -1.250 119.191 120.400 0.069 0.000 2.427 352 D HA 0.201 4.841 4.640 -0.001 0.000 0.224 352 D C 1.443 177.701 176.300 -0.069 0.000 1.157 352 D CA 0.550 54.515 54.000 -0.059 0.000 0.828 352 D CB -0.300 40.482 40.800 -0.030 0.000 0.974 352 D HN 0.406 nan 8.370 nan 0.000 0.498 353 G N 0.028 108.792 108.800 -0.060 0.000 2.143 353 G HA2 -0.249 3.711 3.960 -0.001 0.000 0.249 353 G HA3 -0.249 3.711 3.960 -0.001 0.000 0.249 353 G C 0.403 175.284 174.900 -0.031 0.000 0.981 353 G CA 0.663 45.730 45.100 -0.055 0.000 0.665 353 G HN 0.870 nan 8.290 nan 0.000 0.528 354 T N -2.755 111.789 114.554 -0.017 0.000 2.888 354 T HA 0.600 4.950 4.350 -0.001 0.000 0.288 354 T C -0.131 174.574 174.700 0.008 0.000 1.063 354 T CA -0.625 61.467 62.100 -0.014 0.000 1.010 354 T CB 1.420 70.272 68.868 -0.026 0.000 1.214 354 T HN -0.016 nan 8.240 nan 0.000 0.533 355 N N 1.725 120.426 118.700 0.002 0.000 2.605 355 N HA 0.185 4.925 4.740 -0.001 0.000 0.282 355 N C 0.829 176.358 175.510 0.031 0.000 1.206 355 N CA -0.126 52.933 53.050 0.016 0.000 1.074 355 N CB -0.027 38.450 38.487 -0.018 0.000 1.434 355 N HN 0.511 nan 8.380 nan 0.000 0.506 356 L N 0.437 121.687 121.223 0.045 0.000 2.034 356 L HA -0.065 4.275 4.340 -0.001 0.000 0.203 356 L C 0.890 177.764 176.870 0.007 0.000 1.074 356 L CA 1.309 56.097 54.840 -0.087 0.000 0.748 356 L CB -0.003 41.926 42.059 -0.216 0.000 0.905 356 L HN 0.433 nan 8.230 nan 0.000 0.439 357 Y N -0.556 119.858 120.300 0.190 0.000 2.509 357 Y HA 0.037 4.587 4.550 -0.001 0.000 0.270 357 Y C 1.218 177.296 175.900 0.297 0.000 1.103 357 Y CA -0.301 57.992 58.100 0.321 0.000 1.278 357 Y CB 0.436 39.116 38.460 0.366 0.000 1.087 357 Y HN 0.222 nan 8.280 nan 0.000 0.542 358 E N 0.388 120.706 120.200 0.197 0.000 2.235 358 E HA 0.144 4.493 4.350 -0.001 0.000 0.265 358 E C -1.346 175.220 176.600 -0.057 0.000 0.940 358 E CA -0.675 55.604 56.400 -0.201 0.000 0.819 358 E CB 1.576 30.736 29.700 -0.900 0.000 1.206 358 E HN 0.225 nan 8.360 nan 0.000 0.409 359 H N 0.916 119.885 119.070 -0.169 0.000 2.547 359 H HA 0.379 4.935 4.556 -0.001 0.000 0.342 359 H C -1.590 173.682 175.328 -0.092 0.000 1.048 359 H CA -0.537 55.461 56.048 -0.084 0.000 1.204 359 H CB 1.765 31.505 29.762 -0.036 0.000 1.493 359 H HN 0.425 nan 8.280 nan 0.000 0.511 360 S N 4.515 119.784 115.700 -0.719 0.000 2.561 360 S HA 0.173 4.642 4.470 -0.001 0.000 0.303 360 S C -0.861 173.345 174.600 -0.657 0.000 1.110 360 S CA -0.891 56.946 58.200 -0.606 0.000 1.034 360 S CB 0.794 63.823 63.200 -0.285 0.000 1.010 360 S HN 0.687 nan 8.310 nan 0.000 0.482 361 D N 4.857 124.974 120.400 -0.471 0.000 2.443 361 D HA 0.169 4.809 4.640 -0.001 0.000 0.234 361 D C -1.926 174.317 176.300 -0.094 0.000 1.172 361 D CA -0.266 53.637 54.000 -0.161 0.000 0.878 361 D CB 0.269 41.052 40.800 -0.029 0.000 1.204 361 D HN 0.375 nan 8.370 nan 0.000 0.453 362 P HA 0.412 nan 4.420 nan 0.000 0.286 362 P C -0.093 177.200 177.300 -0.012 0.000 1.261 362 P CA -0.508 62.579 63.100 -0.021 0.000 0.821 362 P CB 1.776 33.476 31.700 -0.000 0.000 1.013 363 R N 0.560 121.051 120.500 -0.015 0.000 2.888 363 R HA 0.350 4.690 4.340 -0.001 0.000 0.277 363 R C -1.121 175.169 176.300 -0.015 0.000 0.981 363 R CA -0.398 55.690 56.100 -0.021 0.000 0.841 363 R CB 0.976 31.266 30.300 -0.016 0.000 1.405 363 R HN 0.551 nan 8.270 nan 0.000 0.472 372 T N 1.188 115.719 114.554 -0.038 0.000 1.117 372 T HA -0.073 4.276 4.350 -0.001 0.000 0.715 372 T C -0.833 173.823 174.700 -0.074 0.000 0.976 372 T CA 0.579 62.658 62.100 -0.035 0.000 3.779 372 T CB -1.089 67.774 68.868 -0.007 0.000 2.152 372 T HN 0.396 nan 8.240 nan 0.000 0.403 373 L N 4.570 125.726 121.223 -0.112 0.000 2.331 373 L HA 0.853 5.193 4.340 -0.001 0.000 0.278 373 L C 0.389 177.086 176.870 -0.289 0.000 1.106 373 L CA -0.860 53.820 54.840 -0.267 0.000 0.824 373 L CB 0.829 42.638 42.059 -0.416 0.000 1.142 373 L HN 0.654 nan 8.230 nan 0.000 0.443 374 I N 1.230 121.600 120.570 -0.334 0.000 2.828 374 I HA 0.448 4.617 4.170 -0.001 0.000 0.302 374 I C -0.909 175.016 176.117 -0.320 0.000 1.101 374 I CA -1.044 60.133 61.300 -0.206 0.000 1.031 374 I CB 1.741 39.756 38.000 0.025 0.000 1.231 374 I HN 0.681 nan 8.210 nan 0.000 0.427 375 Y N 2.726 122.901 120.300 -0.208 0.000 2.702 375 Y HA -0.004 4.545 4.550 -0.000 0.000 0.336 375 Y C 1.414 177.041 175.900 -0.455 0.000 1.235 375 Y CA 0.612 58.514 58.100 -0.330 0.000 1.492 375 Y CB 0.231 38.198 38.460 -0.823 0.000 1.308 375 Y HN 0.635 nan 8.280 nan 0.000 0.589 376 N N 3.352 122.054 118.700 0.004 0.000 3.050 376 N HA 0.004 4.744 4.740 -0.001 0.000 0.289 376 N C 0.143 175.649 175.510 -0.007 0.000 1.209 376 N CA -0.183 52.880 53.050 0.021 0.000 1.154 376 N CB -0.061 38.498 38.487 0.119 0.000 1.444 376 N HN 0.647 nan 8.380 nan 0.000 0.529 377 Y N 0.570 120.896 120.300 0.044 0.000 2.315 377 Y HA -0.130 4.420 4.550 -0.000 0.000 0.288 377 Y C 2.421 178.348 175.900 0.046 0.000 1.154 377 Y CA 1.030 59.095 58.100 -0.059 0.000 1.229 377 Y CB -0.027 38.351 38.460 -0.136 0.000 0.980 377 Y HN 0.499 nan 8.280 nan 0.000 0.540 378 G N -0.003 108.904 108.800 0.178 0.000 2.484 378 G HA2 -0.164 3.796 3.960 -0.001 0.000 0.218 378 G HA3 -0.164 3.796 3.960 -0.001 0.000 0.218 378 G C 0.740 175.704 174.900 0.106 0.000 1.130 378 G CA -0.295 44.881 45.100 0.126 0.000 0.784 378 G HN 0.188 nan 8.290 nan 0.000 0.543 379 R N 0.413 120.975 120.500 0.104 0.000 2.389 379 R HA 0.273 4.612 4.340 -0.001 0.000 0.295 379 R C 1.986 178.333 176.300 0.079 0.000 1.075 379 R CA -0.459 55.699 56.100 0.096 0.000 1.005 379 R CB 0.636 31.011 30.300 0.125 0.000 0.987 379 R HN 0.212 nan 8.270 nan 0.000 0.452 380 R N 3.248 123.772 120.500 0.040 0.000 2.092 380 R HA -0.134 4.206 4.340 -0.001 0.000 0.231 380 R C 0.675 176.958 176.300 -0.028 0.000 1.119 380 R CA 2.035 58.148 56.100 0.022 0.000 0.970 380 R CB -0.030 30.267 30.300 -0.005 0.000 0.864 380 R HN 0.698 nan 8.270 nan 0.000 0.440 381 E N 0.043 120.129 120.200 -0.191 0.000 2.285 381 E HA -0.013 4.337 4.350 -0.001 0.000 0.194 381 E C 1.791 178.307 176.600 -0.141 0.000 0.997 381 E CA 1.034 57.183 56.400 -0.419 0.000 0.845 381 E CB 0.152 29.030 29.700 -1.368 0.000 0.782 381 E HN 0.161 nan 8.360 nan 0.000 0.491 382 V N -0.057 119.866 119.914 0.016 0.000 2.407 382 V HA -0.179 3.940 4.120 -0.001 0.000 0.245 382 V C 2.259 178.515 176.094 0.270 0.000 1.041 382 V CA 1.620 64.054 62.300 0.223 0.000 1.040 382 V CB -0.337 31.616 31.823 0.217 0.000 0.671 382 V HN 0.280 nan 8.190 nan 0.000 0.455 383 S N 0.660 116.493 115.700 0.222 0.000 2.359 383 S HA -0.240 4.230 4.470 -0.001 0.000 0.224 383 S C 1.962 176.787 174.600 0.375 0.000 1.035 383 S CA 2.046 60.450 58.200 0.340 0.000 1.018 383 S CB -0.442 62.960 63.200 0.336 0.000 0.876 383 S HN 0.635 nan 8.310 nan 0.000 0.448 384 N N 0.694 119.564 118.700 0.283 0.000 2.104 384 N HA -0.093 4.647 4.740 -0.001 0.000 0.190 384 N C 1.407 177.155 175.510 0.396 0.000 1.024 384 N CA 1.384 54.605 53.050 0.286 0.000 0.853 384 N CB -0.819 37.782 38.487 0.189 0.000 1.008 384 N HN 0.558 nan 8.380 nan 0.000 0.424 385 F N 1.251 121.369 119.950 0.279 0.000 2.161 385 F HA -0.060 4.467 4.527 -0.001 0.000 0.300 385 F C 1.884 177.885 175.800 0.336 0.000 1.089 385 F CA 1.148 59.359 58.000 0.351 0.000 1.282 385 F CB -0.163 39.048 39.000 0.351 0.000 1.010 385 F HN -0.041 nan 8.300 nan 0.000 0.485 386 L N -1.191 120.188 121.223 0.260 0.000 2.127 386 L HA -0.089 4.251 4.340 -0.001 0.000 0.203 386 L C 2.364 179.533 176.870 0.500 0.000 1.080 386 L CA 0.544 55.534 54.840 0.250 0.000 0.768 386 L CB -0.787 41.422 42.059 0.250 0.000 0.924 386 L HN -0.079 nan 8.230 nan 0.000 0.444 387 V N 0.529 120.737 119.914 0.491 0.000 2.343 387 V HA -0.220 3.899 4.120 -0.001 0.000 0.247 387 V C 2.647 178.903 176.094 0.269 0.000 1.051 387 V CA 2.091 64.597 62.300 0.344 0.000 1.036 387 V CB -1.307 30.671 31.823 0.258 0.000 0.654 387 V HN 0.575 nan 8.190 nan 0.000 0.451 388 G N -0.175 108.824 108.800 0.332 0.000 2.440 388 G HA2 -0.359 3.601 3.960 -0.001 0.000 0.218 388 G HA3 -0.359 3.601 3.960 -0.001 0.000 0.218 388 G C 1.509 176.656 174.900 0.412 0.000 1.154 388 G CA 1.070 46.446 45.100 0.460 0.000 0.767 388 G HN 0.558 nan 8.290 nan 0.000 0.552 389 N N 1.035 119.848 118.700 0.189 0.000 2.188 389 N HA -0.078 4.662 4.740 -0.001 0.000 0.184 389 N C 2.544 177.994 175.510 -0.100 0.000 1.018 389 N CA 1.165 54.104 53.050 -0.186 0.000 0.858 389 N CB -0.158 38.052 38.487 -0.462 0.000 0.989 389 N HN 0.256 nan 8.380 nan 0.000 0.426 390 A N 1.542 124.271 122.820 -0.153 0.000 1.865 390 A HA -0.121 4.199 4.320 -0.001 0.000 0.217 390 A C 2.131 179.619 177.584 -0.161 0.000 1.191 390 A CA 0.925 52.667 52.037 -0.492 0.000 0.623 390 A CB -0.819 17.724 19.000 -0.762 0.000 0.826 390 A HN 0.275 nan 8.150 nan 0.000 0.444 391 L N -1.506 119.710 121.223 -0.011 0.000 2.081 391 L HA -0.196 4.144 4.340 -0.001 0.000 0.212 391 L C 2.384 179.292 176.870 0.064 0.000 1.080 391 L CA 2.115 57.004 54.840 0.081 0.000 0.754 391 L CB -1.397 40.795 42.059 0.222 0.000 0.893 391 L HN 0.656 nan 8.230 nan 0.000 0.433 392 Y N -1.692 118.464 120.300 -0.239 0.000 2.181 392 Y HA -0.267 4.283 4.550 -0.001 0.000 0.288 392 Y C 2.251 178.002 175.900 -0.248 0.000 1.146 392 Y CA 1.431 59.199 58.100 -0.555 0.000 1.164 392 Y CB -0.607 37.323 38.460 -0.883 0.000 0.982 392 Y HN 0.148 nan 8.280 nan 0.000 0.515 393 W N 0.203 121.452 121.300 -0.084 0.000 2.388 393 W HA -0.139 4.520 4.660 -0.001 0.000 0.294 393 W C 2.198 178.684 176.519 -0.055 0.000 1.212 393 W CA 1.180 58.466 57.345 -0.099 0.000 1.271 393 W CB -0.187 29.207 29.460 -0.109 0.000 1.126 393 W HN 0.055 nan 8.180 nan 0.000 0.535 394 I N -0.222 120.418 120.570 0.118 0.000 2.277 394 I HA -0.197 3.973 4.170 -0.001 0.000 0.243 394 I C 2.160 178.285 176.117 0.014 0.000 1.094 394 I CA 1.368 62.697 61.300 0.050 0.000 1.393 394 I CB -0.446 37.544 38.000 -0.016 0.000 1.078 394 I HN -0.054 nan 8.210 nan 0.000 0.417 395 E N 0.335 120.529 120.200 -0.011 0.000 2.112 395 E HA -0.084 4.266 4.350 -0.001 0.000 0.190 395 E C 2.108 178.653 176.600 -0.092 0.000 0.979 395 E CA 0.641 57.024 56.400 -0.028 0.000 0.814 395 E CB 0.159 29.875 29.700 0.027 0.000 0.762 395 E HN 0.309 nan 8.360 nan 0.000 0.460 396 R N -0.540 119.848 120.500 -0.188 0.000 2.237 396 R HA 0.104 4.444 4.340 -0.001 0.000 0.195 396 R C 1.197 177.188 176.300 -0.515 0.000 0.956 396 R CA 0.529 56.392 56.100 -0.394 0.000 1.029 396 R CB 0.098 30.016 30.300 -0.637 0.000 0.972 396 R HN 0.194 nan 8.270 nan 0.000 0.493 397 F N -0.642 119.212 119.950 -0.161 0.000 2.706 397 F HA 0.287 4.814 4.527 -0.001 0.000 0.313 397 F C 1.222 176.991 175.800 -0.051 0.000 1.096 397 F CA 0.310 58.275 58.000 -0.058 0.000 1.219 397 F CB 0.818 39.903 39.000 0.141 0.000 1.051 397 F HN 0.163 nan 8.300 nan 0.000 0.568 398 G N 1.380 110.247 108.800 0.111 0.000 2.153 398 G HA2 -0.270 3.690 3.960 -0.001 0.000 0.252 398 G HA3 -0.270 3.690 3.960 -0.001 0.000 0.252 398 G C 0.260 175.263 174.900 0.172 0.000 0.994 398 G CA -0.294 44.887 45.100 0.136 0.000 0.698 398 G HN 0.127 nan 8.290 nan 0.000 0.521 399 I N 1.113 121.767 120.570 0.138 0.000 2.775 399 I HA 0.069 4.239 4.170 -0.001 0.000 0.290 399 I C 1.011 177.152 176.117 0.040 0.000 1.203 399 I CA 0.282 61.635 61.300 0.089 0.000 1.433 399 I CB 0.582 38.642 38.000 0.099 0.000 1.354 399 I HN 0.115 nan 8.210 nan 0.000 0.579 400 D N 4.347 124.762 120.400 0.025 0.000 2.355 400 D HA 0.267 4.907 4.640 -0.001 0.000 0.206 400 D C 0.475 176.744 176.300 -0.052 0.000 1.010 400 D CA 0.572 54.556 54.000 -0.027 0.000 0.875 400 D CB 1.024 41.802 40.800 -0.037 0.000 0.966 400 D HN 0.632 nan 8.370 nan 0.000 0.512 401 A N 0.311 123.118 122.820 -0.021 0.000 2.605 401 A HA 0.623 4.943 4.320 -0.001 0.000 0.294 401 A C -1.792 175.799 177.584 0.012 0.000 1.062 401 A CA -0.618 51.407 52.037 -0.020 0.000 0.682 401 A CB 0.987 20.014 19.000 0.046 0.000 1.278 401 A HN 0.031 nan 8.150 nan 0.000 0.410 402 L N 1.121 122.364 121.223 0.033 0.000 2.386 402 L HA 0.688 5.027 4.340 -0.001 0.000 0.271 402 L C 0.111 177.120 176.870 0.232 0.000 0.993 402 L CA -0.670 54.233 54.840 0.104 0.000 0.819 402 L CB 2.121 44.194 42.059 0.024 0.000 1.294 402 L HN 0.793 nan 8.230 nan 0.000 0.414 403 R N 2.254 122.902 120.500 0.248 0.000 2.360 403 R HA 0.582 4.921 4.340 -0.001 0.000 0.318 403 R C -1.563 174.868 176.300 0.219 0.000 0.950 403 R CA -0.516 55.705 56.100 0.202 0.000 0.837 403 R CB 1.828 32.206 30.300 0.129 0.000 1.165 403 R HN 0.429 nan 8.270 nan 0.000 0.458 404 V N 5.779 125.812 119.914 0.198 0.000 2.370 404 V HA 0.121 4.241 4.120 -0.001 0.000 0.279 404 V C 0.346 176.400 176.094 -0.068 0.000 1.029 404 V CA -0.662 61.723 62.300 0.142 0.000 0.870 404 V CB 1.270 33.256 31.823 0.272 0.000 0.984 404 V HN 0.788 nan 8.190 nan 0.000 0.451 405 D N 4.255 124.646 120.400 -0.015 0.000 2.340 405 D HA 0.443 5.083 4.640 -0.001 0.000 0.251 405 D C 0.533 176.806 176.300 -0.046 0.000 1.080 405 D CA 0.065 54.019 54.000 -0.078 0.000 0.971 405 D CB 1.835 42.655 40.800 0.033 0.000 1.137 405 D HN 0.961 nan 8.370 nan 0.000 0.475 406 A N 0.571 123.355 122.820 -0.059 0.000 2.640 406 A HA -0.154 4.165 4.320 -0.001 0.000 0.300 406 A C 1.316 178.865 177.584 -0.059 0.000 1.499 406 A CA 0.752 52.771 52.037 -0.030 0.000 0.759 406 A CB -2.121 16.889 19.000 0.017 0.000 1.048 406 A HN 0.464 nan 8.150 nan 0.000 0.450 407 V N -0.748 119.117 119.914 -0.082 0.000 2.490 407 V HA -0.243 3.877 4.120 -0.001 0.000 0.250 407 V C 2.907 178.953 176.094 -0.080 0.000 1.061 407 V CA 2.681 64.923 62.300 -0.096 0.000 1.064 407 V CB -1.065 30.667 31.823 -0.151 0.000 0.670 407 V HN 1.211 nan 8.190 nan 0.000 0.461 408 A N 0.913 123.728 122.820 -0.008 0.000 1.892 408 A HA -0.267 4.053 4.320 -0.001 0.000 0.218 408 A C 2.550 180.207 177.584 0.121 0.000 1.188 408 A CA 2.536 54.633 52.037 0.101 0.000 0.631 408 A CB -0.866 18.226 19.000 0.154 0.000 0.822 408 A HN 0.712 nan 8.150 nan 0.000 0.447 409 S N -0.744 114.995 115.700 0.066 0.000 2.474 409 S HA -0.081 4.388 4.470 -0.001 0.000 0.235 409 S C 1.883 176.510 174.600 0.044 0.000 0.997 409 S CA 1.479 59.720 58.200 0.068 0.000 0.949 409 S CB -0.553 62.673 63.200 0.043 0.000 0.766 409 S HN 0.543 nan 8.310 nan 0.000 0.517 410 M N 1.568 121.159 119.600 -0.015 0.000 2.216 410 M HA 0.220 4.700 4.480 -0.001 0.000 0.264 410 M C 2.348 178.588 176.300 -0.100 0.000 1.080 410 M CA 1.340 56.616 55.300 -0.039 0.000 1.153 410 M CB -0.623 31.902 32.600 -0.123 0.000 1.356 410 M HN 0.461 nan 8.290 nan 0.000 0.432 411 I N -2.353 118.088 120.570 -0.215 0.000 3.428 411 I HA -0.007 4.162 4.170 -0.001 0.000 0.286 411 I C -0.289 175.530 176.117 -0.496 0.000 1.287 411 I CA 0.499 61.550 61.300 -0.414 0.000 1.396 411 I CB -0.193 37.386 38.000 -0.702 0.000 1.062 411 I HN 0.057 nan 8.210 nan 0.000 0.471 412 Y N 1.652 121.945 120.300 -0.011 0.000 2.356 412 Y HA 0.458 5.008 4.550 -0.001 0.000 0.334 412 Y C 1.318 177.245 175.900 0.045 0.000 0.958 412 Y CA -0.856 57.261 58.100 0.028 0.000 1.196 412 Y CB 1.229 39.709 38.460 0.033 0.000 1.137 412 Y HN -0.118 nan 8.280 nan 0.000 0.485 413 R N 0.985 121.617 120.500 0.220 0.000 2.117 413 R HA -0.154 4.185 4.340 -0.001 0.000 0.243 413 R C -0.435 175.955 176.300 0.149 0.000 1.143 413 R CA 1.830 58.027 56.100 0.161 0.000 0.968 413 R CB -0.100 30.283 30.300 0.138 0.000 0.863 413 R HN 0.800 nan 8.270 nan 0.000 0.444 424 P HA 0.392 nan 4.420 nan 0.000 0.279 424 P C 0.242 177.572 177.300 0.049 0.000 1.239 424 P CA -0.386 62.754 63.100 0.067 0.000 0.789 424 P CB 0.686 32.426 31.700 0.068 0.000 0.933 425 N N 1.827 120.560 118.700 0.054 0.000 2.207 425 N HA -0.105 4.635 4.740 -0.001 0.000 0.223 425 N C 0.917 176.384 175.510 -0.072 0.000 1.339 425 N CA -0.331 52.717 53.050 -0.004 0.000 0.889 425 N CB 0.643 39.139 38.487 0.016 0.000 1.128 425 N HN 0.579 nan 8.380 nan 0.000 0.456 426 E N 0.184 120.243 120.200 -0.235 0.000 2.331 426 E HA -0.187 4.163 4.350 -0.001 0.000 0.199 426 E C 0.533 176.948 176.600 -0.308 0.000 1.008 426 E CA 1.246 57.453 56.400 -0.323 0.000 0.843 426 E CB -0.481 28.940 29.700 -0.466 0.000 0.761 426 E HN 0.702 nan 8.360 nan 0.000 0.507 427 F N 0.333 120.306 119.950 0.040 0.000 2.693 427 F HA 0.367 4.893 4.527 -0.000 0.000 0.303 427 F C 1.513 177.339 175.800 0.042 0.000 1.097 427 F CA 0.016 58.039 58.000 0.039 0.000 1.330 427 F CB 0.870 39.895 39.000 0.042 0.000 1.067 427 F HN 0.138 nan 8.300 nan 0.000 0.565 428 G N 1.080 109.971 108.800 0.152 0.000 2.160 428 G HA2 -0.205 3.755 3.960 -0.001 0.000 0.251 428 G HA3 -0.205 3.755 3.960 -0.001 0.000 0.251 428 G C 0.527 175.505 174.900 0.130 0.000 1.008 428 G CA -0.071 45.098 45.100 0.116 0.000 0.724 428 G HN 0.705 nan 8.290 nan 0.000 0.514 429 G N -1.062 107.838 108.800 0.166 0.000 2.511 429 G HA2 0.615 4.575 3.960 -0.001 0.000 0.316 429 G HA3 0.615 4.575 3.960 -0.001 0.000 0.316 429 G C 0.913 175.912 174.900 0.163 0.000 1.210 429 G CA 0.133 45.336 45.100 0.172 0.000 0.969 429 G HN 0.621 nan 8.290 nan 0.000 0.492 430 R N -0.099 120.519 120.500 0.197 0.000 2.312 430 R HA 0.124 4.463 4.340 -0.001 0.000 0.205 430 R C -0.102 176.384 176.300 0.310 0.000 0.904 430 R CA 0.022 56.259 56.100 0.228 0.000 1.052 430 R CB -0.349 30.073 30.300 0.203 0.000 1.014 430 R HN 0.401 nan 8.270 nan 0.000 0.503 431 E N 2.156 122.508 120.200 0.254 0.000 2.373 431 E HA 0.035 4.385 4.350 -0.001 0.000 0.267 431 E C -0.549 176.094 176.600 0.071 0.000 1.032 431 E CA -0.080 56.388 56.400 0.114 0.000 0.889 431 E CB 0.515 30.278 29.700 0.106 0.000 0.984 431 E HN 0.094 nan 8.360 nan 0.000 0.425 432 N N 3.980 122.675 118.700 -0.008 0.000 2.482 432 N HA 0.038 4.778 4.740 -0.001 0.000 0.242 432 N C 0.295 175.803 175.510 -0.003 0.000 1.100 432 N CA 0.169 53.228 53.050 0.015 0.000 0.946 432 N CB 0.307 38.812 38.487 0.030 0.000 1.227 432 N HN 0.551 nan 8.380 nan 0.000 0.508 433 L N 1.754 122.997 121.223 0.034 0.000 2.141 433 L HA -0.077 4.262 4.340 -0.001 0.000 0.209 433 L C 1.534 178.434 176.870 0.049 0.000 1.094 433 L CA 0.853 55.725 54.840 0.053 0.000 0.763 433 L CB -0.027 42.084 42.059 0.086 0.000 0.908 433 L HN 0.439 nan 8.230 nan 0.000 0.437 434 E N 0.316 120.549 120.200 0.054 0.000 2.216 434 E HA -0.065 4.285 4.350 -0.001 0.000 0.192 434 E C 2.244 178.907 176.600 0.105 0.000 0.988 434 E CA 1.063 57.521 56.400 0.096 0.000 0.834 434 E CB -0.207 29.556 29.700 0.106 0.000 0.772 434 E HN 0.395 nan 8.360 nan 0.000 0.479 435 A N 1.235 124.064 122.820 0.014 0.000 1.969 435 A HA -0.059 4.261 4.320 -0.001 0.000 0.218 435 A C 2.302 179.821 177.584 -0.108 0.000 1.169 435 A CA 0.755 52.665 52.037 -0.211 0.000 0.635 435 A CB -0.520 18.322 19.000 -0.262 0.000 0.810 435 A HN 0.154 nan 8.150 nan 0.000 0.445 436 I N -1.018 119.508 120.570 -0.074 0.000 2.233 436 I HA -0.180 3.990 4.170 -0.001 0.000 0.243 436 I C 2.573 178.683 176.117 -0.012 0.000 1.093 436 I CA 1.572 62.827 61.300 -0.075 0.000 1.380 436 I CB -0.135 37.828 38.000 -0.061 0.000 1.067 436 I HN 0.298 nan 8.210 nan 0.000 0.413 437 E N 0.942 121.163 120.200 0.035 0.000 2.047 437 E HA -0.256 4.094 4.350 -0.001 0.000 0.191 437 E C 1.971 178.601 176.600 0.051 0.000 0.987 437 E CA 1.274 57.703 56.400 0.048 0.000 0.799 437 E CB -0.425 29.321 29.700 0.077 0.000 0.752 437 E HN 0.372 nan 8.360 nan 0.000 0.449 438 F N 0.685 120.619 119.950 -0.027 0.000 2.115 438 F HA -0.247 4.279 4.527 -0.000 0.000 0.300 438 F C 1.741 177.525 175.800 -0.027 0.000 1.092 438 F CA 1.642 59.635 58.000 -0.011 0.000 1.245 438 F CB -0.332 38.637 39.000 -0.051 0.000 0.995 438 F HN 0.062 nan 8.300 nan 0.000 0.481 439 L N -0.357 120.716 121.223 -0.251 0.000 2.109 439 L HA -0.125 4.214 4.340 -0.001 0.000 0.207 439 L C 2.737 179.419 176.870 -0.314 0.000 1.086 439 L CA 1.165 55.809 54.840 -0.327 0.000 0.760 439 L CB -0.563 41.451 42.059 -0.075 0.000 0.910 439 L HN 0.033 nan 8.230 nan 0.000 0.437 440 R N -0.254 120.133 120.500 -0.188 0.000 2.070 440 R HA -0.157 4.183 4.340 -0.001 0.000 0.233 440 R C 2.151 178.357 176.300 -0.157 0.000 1.137 440 R CA 1.607 57.619 56.100 -0.148 0.000 0.945 440 R CB -0.353 29.907 30.300 -0.067 0.000 0.845 440 R HN 0.285 nan 8.270 nan 0.000 0.430 441 N N -0.215 118.401 118.700 -0.139 0.000 2.036 441 N HA -0.144 4.595 4.740 -0.001 0.000 0.195 441 N C 1.615 177.035 175.510 -0.149 0.000 1.037 441 N CA 2.042 55.026 53.050 -0.111 0.000 0.855 441 N CB -0.467 37.980 38.487 -0.066 0.000 1.033 441 N HN 0.130 nan 8.380 nan 0.000 0.423 442 T N 0.926 115.309 114.554 -0.285 0.000 2.720 442 T HA -0.080 4.269 4.350 -0.001 0.000 0.268 442 T C 1.528 176.153 174.700 -0.125 0.000 1.037 442 T CA 1.092 63.053 62.100 -0.232 0.000 1.144 442 T CB -0.300 68.355 68.868 -0.355 0.000 0.864 442 T HN 0.281 nan 8.240 nan 0.000 0.444 443 N N 0.733 119.331 118.700 -0.170 0.000 2.188 443 N HA -0.037 4.702 4.740 -0.001 0.000 0.184 443 N C 1.971 177.478 175.510 -0.005 0.000 1.018 443 N CA 0.795 53.803 53.050 -0.070 0.000 0.858 443 N CB -0.284 38.045 38.487 -0.264 0.000 0.989 443 N HN 0.381 nan 8.380 nan 0.000 0.426 444 R N 0.823 121.282 120.500 -0.067 0.000 2.062 444 R HA 0.025 4.365 4.340 -0.001 0.000 0.231 444 R C 2.224 178.532 176.300 0.013 0.000 1.136 444 R CA 0.910 56.989 56.100 -0.035 0.000 0.948 444 R CB -0.266 30.006 30.300 -0.045 0.000 0.845 444 R HN 0.116 nan 8.270 nan 0.000 0.430 445 I N 0.912 121.485 120.570 0.004 0.000 2.163 445 I HA -0.316 3.853 4.170 -0.001 0.000 0.243 445 I C 2.082 178.217 176.117 0.029 0.000 1.085 445 I CA 0.881 62.191 61.300 0.017 0.000 1.347 445 I CB -0.254 37.755 38.000 0.015 0.000 1.044 445 I HN 0.190 nan 8.210 nan 0.000 0.408 446 L N 0.776 122.019 121.223 0.034 0.000 2.013 446 L HA -0.207 4.133 4.340 -0.001 0.000 0.212 446 L C 2.551 179.478 176.870 0.094 0.000 1.073 446 L CA 2.305 57.167 54.840 0.037 0.000 0.753 446 L CB -1.838 40.236 42.059 0.026 0.000 0.890 446 L HN 0.303 nan 8.230 nan 0.000 0.432 447 G N -1.609 107.318 108.800 0.211 0.000 2.432 447 G HA2 -0.225 3.734 3.960 -0.001 0.000 0.219 447 G HA3 -0.225 3.734 3.960 -0.001 0.000 0.219 447 G C 1.536 176.507 174.900 0.119 0.000 1.135 447 G CA 0.701 45.957 45.100 0.260 0.000 0.767 447 G HN 0.486 nan 8.290 nan 0.000 0.550 448 E N -0.565 119.676 120.200 0.068 0.000 2.190 448 E HA 0.009 4.358 4.350 -0.001 0.000 0.191 448 E C 2.541 179.153 176.600 0.021 0.000 0.978 448 E CA 0.477 56.899 56.400 0.037 0.000 0.839 448 E CB 0.103 29.818 29.700 0.025 0.000 0.787 448 E HN 0.294 nan 8.360 nan 0.000 0.473 449 Q N -0.128 119.681 119.800 0.016 0.000 2.349 449 Q HA 0.035 4.375 4.340 -0.001 0.000 0.209 449 Q C 0.907 176.903 176.000 -0.007 0.000 0.920 449 Q CA 0.736 56.540 55.803 0.002 0.000 0.901 449 Q CB 1.437 30.176 28.738 0.001 0.000 1.021 449 Q HN 0.192 nan 8.270 nan 0.000 0.519 450 V N -1.264 118.642 119.914 -0.013 0.000 2.468 450 V HA 0.400 4.520 4.120 -0.001 0.000 0.256 450 V C 0.066 176.130 176.094 -0.050 0.000 0.998 450 V CA -0.864 61.415 62.300 -0.036 0.000 1.114 450 V CB 0.864 32.656 31.823 -0.053 0.000 1.378 450 V HN -0.035 nan 8.190 nan 0.000 0.573 451 S N 2.064 117.750 115.700 -0.024 0.000 2.563 451 S HA 0.434 4.904 4.470 -0.001 0.000 0.294 451 S C 1.599 176.162 174.600 -0.061 0.000 1.279 451 S CA 1.788 59.978 58.200 -0.017 0.000 1.069 451 S CB 0.289 63.490 63.200 0.001 0.000 0.828 451 S HN 2.260 nan 8.310 nan 0.000 0.497 452 G N 2.870 111.616 108.800 -0.089 0.000 2.339 452 G HA2 -0.073 3.887 3.960 -0.001 0.000 0.209 452 G HA3 -0.073 3.887 3.960 -0.001 0.000 0.209 452 G C 0.195 174.974 174.900 -0.201 0.000 1.015 452 G CA 0.013 45.038 45.100 -0.125 0.000 0.635 452 G HN 1.366 nan 8.290 nan 0.000 0.499 453 A N 0.041 122.715 122.820 -0.244 0.000 2.286 453 A HA 0.943 5.263 4.320 -0.001 0.000 0.286 453 A C 0.426 177.626 177.584 -0.640 0.000 1.097 453 A CA 0.304 52.153 52.037 -0.315 0.000 0.821 453 A CB 1.325 20.188 19.000 -0.230 0.000 1.076 453 A HN 1.968 nan 8.150 nan 0.000 0.490 454 V N -1.347 118.189 119.914 -0.629 0.000 3.130 454 V HA 0.942 5.061 4.120 -0.001 0.000 0.310 454 V C -0.282 175.562 176.094 -0.417 0.000 1.158 454 V CA -0.067 61.616 62.300 -1.028 0.000 1.029 454 V CB 1.536 32.904 31.823 -0.759 0.000 1.057 454 V HN 1.351 nan 8.190 nan 0.000 0.436 455 T N 0.548 115.037 114.554 -0.109 0.000 2.887 455 T HA 0.836 5.186 4.350 -0.001 0.000 0.288 455 T C -0.587 174.506 174.700 0.656 0.000 1.021 455 T CA -0.778 61.534 62.100 0.353 0.000 1.000 455 T CB 1.766 70.879 68.868 0.409 0.000 1.034 455 T HN 0.876 nan 8.240 nan 0.000 0.467 456 M N 1.432 121.372 119.600 0.567 0.000 2.572 456 M HA 0.754 5.233 4.480 -0.001 0.000 0.299 456 M C -0.896 175.460 176.300 0.094 0.000 1.205 456 M CA -1.095 54.466 55.300 0.434 0.000 0.876 456 M CB 2.663 35.475 32.600 0.355 0.000 1.728 456 M HN 0.932 nan 8.290 nan 0.000 0.458 457 A N 1.453 124.114 122.820 -0.264 0.000 2.414 457 A HA 0.685 5.004 4.320 -0.001 0.000 0.306 457 A C -1.245 176.077 177.584 -0.436 0.000 1.054 457 A CA -0.565 51.069 52.037 -0.671 0.000 0.724 457 A CB 1.791 19.839 19.000 -1.586 0.000 1.267 457 A HN 0.773 nan 8.150 nan 0.000 0.418 458 E N 2.181 122.107 120.200 -0.456 0.000 2.092 458 E HA 0.346 4.696 4.350 -0.001 0.000 0.271 458 E C -1.352 175.160 176.600 -0.148 0.000 0.919 458 E CA -0.182 56.042 56.400 -0.293 0.000 0.760 458 E CB 1.115 30.528 29.700 -0.478 0.000 1.106 458 E HN 0.595 nan 8.360 nan 0.000 0.408 459 E N 2.871 123.053 120.200 -0.030 0.000 2.260 459 E HA 0.164 4.514 4.350 -0.001 0.000 0.266 459 E C -0.840 175.825 176.600 0.109 0.000 0.887 459 E CA -0.311 56.099 56.400 0.016 0.000 0.777 459 E CB 1.489 31.192 29.700 0.005 0.000 1.205 459 E HN 0.424 nan 8.360 nan 0.000 0.414 460 S N 1.362 117.133 115.700 0.118 0.000 2.588 460 S HA 0.089 4.558 4.470 -0.001 0.000 0.245 460 S C 0.636 175.320 174.600 0.140 0.000 1.021 460 S CA 0.143 58.428 58.200 0.142 0.000 1.006 460 S CB -0.336 62.943 63.200 0.130 0.000 0.830 460 S HN 0.404 nan 8.310 nan 0.000 0.468 461 T N -2.616 112.041 114.554 0.173 0.000 3.275 461 T HA 0.286 4.636 4.350 -0.001 0.000 0.298 461 T C -0.180 174.633 174.700 0.188 0.000 0.988 461 T CA -0.135 62.065 62.100 0.167 0.000 0.936 461 T CB -0.307 68.678 68.868 0.196 0.000 1.159 461 T HN 0.191 nan 8.240 nan 0.000 0.519 462 D N 0.820 121.331 120.400 0.185 0.000 2.837 462 D HA -0.175 4.465 4.640 -0.001 0.000 0.230 462 D C -0.207 176.206 176.300 0.188 0.000 1.152 462 D CA 0.401 54.497 54.000 0.160 0.000 0.736 462 D CB -1.729 39.126 40.800 0.092 0.000 1.084 462 D HN 0.594 nan 8.370 nan 0.000 0.429 463 F N 1.440 121.464 119.950 0.123 0.000 2.623 463 F HA 0.150 4.677 4.527 -0.001 0.000 0.383 463 F C -1.601 174.242 175.800 0.073 0.000 1.077 463 F CA -0.950 57.120 58.000 0.116 0.000 1.268 463 F CB 0.575 39.641 39.000 0.110 0.000 1.053 463 F HN -0.156 nan 8.300 nan 0.000 0.571 464 P HA 0.269 nan 4.420 nan 0.000 0.276 464 P C 0.037 177.239 177.300 -0.163 0.000 1.230 464 P CA 0.285 63.234 63.100 -0.251 0.000 0.776 464 P CB 1.049 32.577 31.700 -0.288 0.000 0.888 465 G N 1.786 110.566 108.800 -0.033 0.000 2.171 465 G HA2 -0.245 3.715 3.960 -0.001 0.000 0.238 465 G HA3 -0.245 3.715 3.960 -0.001 0.000 0.238 465 G C 0.736 175.695 174.900 0.098 0.000 1.039 465 G CA -0.025 45.072 45.100 -0.005 0.000 0.759 465 G HN 0.368 nan 8.290 nan 0.000 0.501 466 V N 0.507 120.509 119.914 0.147 0.000 2.392 466 V HA -0.121 3.998 4.120 -0.001 0.000 0.249 466 V C 2.291 178.506 176.094 0.201 0.000 1.059 466 V CA 2.815 65.245 62.300 0.216 0.000 1.051 466 V CB -0.117 31.786 31.823 0.133 0.000 0.658 466 V HN 1.354 nan 8.190 nan 0.000 0.455 467 S N -0.233 115.492 115.700 0.042 0.000 2.525 467 S HA 0.408 4.878 4.470 -0.001 0.000 0.242 467 S C 0.119 174.629 174.600 -0.150 0.000 1.164 467 S CA -0.713 57.477 58.200 -0.016 0.000 1.154 467 S CB 0.146 63.300 63.200 -0.078 0.000 0.875 467 S HN 0.313 nan 8.310 nan 0.000 0.482 468 R N 1.182 121.619 120.500 -0.105 0.000 2.854 468 R HA 0.610 4.950 4.340 -0.001 0.000 0.271 468 R C -3.257 172.958 176.300 -0.141 0.000 0.996 468 R CA -2.422 53.591 56.100 -0.145 0.000 0.961 468 R CB 0.422 30.656 30.300 -0.110 0.000 1.182 468 R HN 0.150 nan 8.270 nan 0.000 0.479 469 P HA 0.063 nan 4.420 nan 0.000 0.269 469 P C 0.113 177.352 177.300 -0.102 0.000 1.209 469 P CA 0.009 63.014 63.100 -0.158 0.000 0.776 469 P CB 0.636 32.252 31.700 -0.141 0.000 0.876 470 Q N 2.119 121.859 119.800 -0.100 0.000 2.112 470 Q HA -0.245 4.094 4.340 -0.001 0.000 0.206 470 Q C 1.411 177.385 176.000 -0.043 0.000 0.987 470 Q CA 2.415 58.182 55.803 -0.059 0.000 0.858 470 Q CB -0.979 27.722 28.738 -0.063 0.000 0.905 470 Q HN 0.650 nan 8.270 nan 0.000 0.420 471 D N -0.124 120.245 120.400 -0.052 0.000 2.351 471 D HA -0.189 4.451 4.640 -0.001 0.000 0.216 471 D C 1.151 177.428 176.300 -0.039 0.000 0.968 471 D CA 1.132 55.108 54.000 -0.040 0.000 0.899 471 D CB -0.293 40.481 40.800 -0.043 0.000 0.907 471 D HN 0.541 nan 8.370 nan 0.000 0.514 472 M N -3.168 116.404 119.600 -0.046 0.000 2.673 472 M HA 0.537 5.016 4.480 -0.001 0.000 0.334 472 M C 1.092 177.367 176.300 -0.041 0.000 1.211 472 M CA -0.012 55.261 55.300 -0.045 0.000 0.962 472 M CB 0.683 33.250 32.600 -0.054 0.000 1.343 472 M HN -0.011 nan 8.290 nan 0.000 0.511 473 G N 0.151 108.935 108.800 -0.027 0.000 2.143 473 G HA2 -0.257 3.703 3.960 -0.001 0.000 0.248 473 G HA3 -0.257 3.703 3.960 -0.001 0.000 0.248 473 G C 0.667 175.578 174.900 0.019 0.000 0.991 473 G CA 0.093 45.188 45.100 -0.010 0.000 0.689 473 G HN 0.716 nan 8.290 nan 0.000 0.522 474 G N -0.802 108.002 108.800 0.007 0.000 2.666 474 G HA2 0.209 4.169 3.960 -0.001 0.000 0.215 474 G HA3 0.209 4.169 3.960 -0.001 0.000 0.215 474 G C 1.262 176.234 174.900 0.120 0.000 1.294 474 G CA 1.944 47.059 45.100 0.026 0.000 0.811 474 G HN 1.476 nan 8.290 nan 0.000 0.594 475 L N -2.908 118.357 121.223 0.070 0.000 1.893 475 L HA -0.043 4.296 4.340 -0.001 0.000 0.497 475 L C 1.679 178.512 176.870 -0.061 0.000 0.726 475 L CA 1.768 56.657 54.840 0.082 0.000 3.089 475 L CB -1.224 40.993 42.059 0.263 0.000 0.782 475 L HN 1.702 nan 8.230 nan 0.000 0.733 476 G N -0.854 107.900 108.800 -0.077 0.000 2.143 476 G HA2 -0.302 3.657 3.960 -0.001 0.000 0.249 476 G HA3 -0.302 3.657 3.960 -0.001 0.000 0.249 476 G C 0.246 174.934 174.900 -0.353 0.000 0.981 476 G CA 0.112 45.057 45.100 -0.258 0.000 0.665 476 G HN 0.320 nan 8.290 nan 0.000 0.528 477 F N -0.460 119.454 119.950 -0.060 0.000 2.539 477 F HA 0.350 4.877 4.527 -0.001 0.000 0.340 477 F C 1.856 177.669 175.800 0.021 0.000 1.185 477 F CA -0.105 57.965 58.000 0.116 0.000 1.333 477 F CB 0.413 39.511 39.000 0.163 0.000 1.152 477 F HN 0.092 nan 8.300 nan 0.000 0.602 478 W N -0.121 121.295 121.300 0.194 0.000 2.481 478 W HA -0.026 4.634 4.660 -0.001 0.000 0.293 478 W C -0.198 176.215 176.519 -0.178 0.000 1.201 478 W CA 0.575 57.939 57.345 0.031 0.000 1.328 478 W CB -0.088 29.349 29.460 -0.038 0.000 1.112 478 W HN 0.326 nan 8.180 nan 0.000 0.546 479 Y N -0.143 120.432 120.300 0.459 0.000 2.536 479 Y HA 0.402 4.951 4.550 -0.001 0.000 0.347 479 Y C -0.161 175.850 175.900 0.185 0.000 1.000 479 Y CA -1.213 57.043 58.100 0.260 0.000 1.051 479 Y CB 1.726 40.368 38.460 0.303 0.000 1.259 479 Y HN -0.437 nan 8.280 nan 0.000 0.468 480 K N 1.306 121.871 120.400 0.274 0.000 2.378 480 K HA 0.376 4.696 4.320 -0.001 0.000 0.252 480 K C -1.598 175.312 176.600 0.517 0.000 0.931 480 K CA -0.676 55.756 56.287 0.242 0.000 0.794 480 K CB 1.078 33.625 32.500 0.079 0.000 1.181 480 K HN 0.603 nan 8.250 nan 0.000 0.425 481 W N 2.434 123.859 121.300 0.207 0.000 2.210 481 W HA 0.093 4.752 4.660 -0.001 0.000 0.330 481 W C 0.660 177.372 176.519 0.321 0.000 1.334 481 W CA -0.294 57.179 57.345 0.213 0.000 1.227 481 W CB 0.195 29.726 29.460 0.118 0.000 1.178 481 W HN 0.483 nan 8.180 nan 0.000 0.560 482 N N 4.058 122.990 118.700 0.387 0.000 2.868 482 N HA 0.105 4.845 4.740 -0.001 0.000 0.252 482 N C 0.902 176.507 175.510 0.158 0.000 1.130 482 N CA 0.071 53.206 53.050 0.141 0.000 1.026 482 N CB 0.075 38.425 38.487 -0.228 0.000 1.335 482 N HN 0.419 nan 8.380 nan 0.000 0.516 483 L N 0.687 122.037 121.223 0.212 0.000 2.156 483 L HA 0.043 4.382 4.340 -0.001 0.000 0.208 483 L C 2.259 179.204 176.870 0.125 0.000 1.095 483 L CA 1.004 55.920 54.840 0.127 0.000 0.770 483 L CB -0.208 41.964 42.059 0.188 0.000 0.914 483 L HN 0.454 nan 8.230 nan 0.000 0.439 484 G N -0.615 108.310 108.800 0.209 0.000 2.402 484 G HA2 -0.310 3.649 3.960 -0.001 0.000 0.216 484 G HA3 -0.310 3.649 3.960 -0.001 0.000 0.216 484 G C 1.309 176.369 174.900 0.266 0.000 1.162 484 G CA 0.401 45.653 45.100 0.254 0.000 0.777 484 G HN 0.484 nan 8.290 nan 0.000 0.539 485 W N 0.617 121.950 121.300 0.055 0.000 2.355 485 W HA -0.069 4.590 4.660 -0.001 0.000 0.309 485 W C 2.491 179.001 176.519 -0.015 0.000 1.206 485 W CA 1.886 59.228 57.345 -0.004 0.000 1.284 485 W CB -0.008 29.379 29.460 -0.121 0.000 1.145 485 W HN 0.136 nan 8.180 nan 0.000 0.502 486 M N 0.267 120.013 119.600 0.242 0.000 2.065 486 M HA -0.283 4.197 4.480 -0.001 0.000 0.259 486 M C 1.897 178.110 176.300 -0.145 0.000 1.069 486 M CA 2.449 57.763 55.300 0.024 0.000 1.110 486 M CB -1.487 31.105 32.600 -0.014 0.000 1.328 486 M HN 0.202 nan 8.290 nan 0.000 0.405 487 H N 0.061 119.129 119.070 -0.002 0.000 2.319 487 H HA -0.168 4.388 4.556 -0.001 0.000 0.299 487 H C 1.784 177.041 175.328 -0.119 0.000 1.092 487 H CA 1.857 57.877 56.048 -0.047 0.000 1.302 487 H CB -0.130 29.626 29.762 -0.010 0.000 1.373 487 H HN 0.455 nan 8.280 nan 0.000 0.497 488 D N -0.568 119.826 120.400 -0.010 0.000 2.117 488 D HA -0.123 4.517 4.640 -0.001 0.000 0.198 488 D C 2.388 178.541 176.300 -0.245 0.000 0.982 488 D CA 1.921 55.865 54.000 -0.093 0.000 0.828 488 D CB -0.470 40.307 40.800 -0.039 0.000 0.967 488 D HN 0.535 nan 8.370 nan 0.000 0.464 489 T N -1.328 112.946 114.554 -0.468 0.000 2.985 489 T HA -0.035 4.314 4.350 -0.001 0.000 0.266 489 T C 1.953 176.351 174.700 -0.503 0.000 1.076 489 T CA 0.206 61.947 62.100 -0.597 0.000 1.135 489 T CB -0.152 68.123 68.868 -0.989 0.000 0.890 489 T HN -0.076 nan 8.240 nan 0.000 0.480 490 L N 1.997 122.993 121.223 -0.378 0.000 2.072 490 L HA 0.102 4.442 4.340 -0.001 0.000 0.205 490 L C 2.287 178.999 176.870 -0.264 0.000 1.079 490 L CA 1.416 56.057 54.840 -0.332 0.000 0.752 490 L CB -1.058 40.894 42.059 -0.178 0.000 0.906 490 L HN 0.204 nan 8.230 nan 0.000 0.436 491 D N -1.579 118.707 120.400 -0.190 0.000 2.133 491 D HA -0.284 4.356 4.640 -0.001 0.000 0.195 491 D C 2.072 178.230 176.300 -0.237 0.000 0.997 491 D CA 1.349 55.238 54.000 -0.186 0.000 0.840 491 D CB -0.138 40.577 40.800 -0.143 0.000 0.947 491 D HN 0.333 nan 8.370 nan 0.000 0.452 492 Y N 0.912 120.995 120.300 -0.362 0.000 2.089 492 Y HA -0.235 4.315 4.550 -0.000 0.000 0.282 492 Y C 2.313 177.959 175.900 -0.424 0.000 1.139 492 Y CA 1.537 59.398 58.100 -0.398 0.000 1.123 492 Y CB -0.186 37.983 38.460 -0.486 0.000 0.980 492 Y HN -0.160 nan 8.280 nan 0.000 0.493 493 M N 0.286 119.655 119.600 -0.384 0.000 2.267 493 M HA -0.228 4.252 4.480 -0.001 0.000 0.263 493 M C 1.935 178.020 176.300 -0.359 0.000 1.063 493 M CA 1.599 56.638 55.300 -0.435 0.000 1.090 493 M CB -1.050 31.196 32.600 -0.590 0.000 1.392 493 M HN 0.222 nan 8.290 nan 0.000 0.422 494 K N 0.006 120.212 120.400 -0.322 0.000 2.217 494 K HA 0.064 4.383 4.320 -0.001 0.000 0.202 494 K C 0.332 176.796 176.600 -0.228 0.000 1.051 494 K CA 0.180 56.319 56.287 -0.245 0.000 0.952 494 K CB -0.091 32.283 32.500 -0.209 0.000 0.736 494 K HN 0.254 nan 8.250 nan 0.000 0.453 495 L N 2.367 123.414 121.223 -0.295 0.000 2.513 495 L HA -0.027 4.312 4.340 -0.001 0.000 0.272 495 L C 0.448 177.229 176.870 -0.149 0.000 1.187 495 L CA -0.284 54.421 54.840 -0.225 0.000 0.895 495 L CB 0.094 41.966 42.059 -0.310 0.000 1.147 495 L HN 0.182 nan 8.230 nan 0.000 0.483 496 D N 5.452 125.842 120.400 -0.016 0.000 2.648 496 D HA -0.071 4.569 4.640 -0.001 0.000 0.229 496 D C -1.473 174.794 176.300 -0.055 0.000 1.119 496 D CA -0.860 53.138 54.000 -0.004 0.000 0.850 496 D CB 1.395 42.253 40.800 0.097 0.000 1.169 496 D HN 0.298 nan 8.370 nan 0.000 0.489 497 P HA -0.192 nan 4.420 nan 0.000 0.217 497 P C 1.528 178.757 177.300 -0.117 0.000 1.151 497 P CA 0.465 63.509 63.100 -0.094 0.000 0.849 497 P CB 0.198 31.872 31.700 -0.044 0.000 0.787 498 V N -1.975 117.828 119.914 -0.185 0.000 2.720 498 V HA -0.212 3.907 4.120 -0.001 0.000 0.256 498 V C 1.304 177.220 176.094 -0.298 0.000 1.082 498 V CA 1.768 63.898 62.300 -0.284 0.000 1.101 498 V CB -1.050 30.522 31.823 -0.418 0.000 0.693 498 V HN 0.088 nan 8.190 nan 0.000 0.479 499 Y N -0.827 119.494 120.300 0.035 0.000 2.458 499 Y HA 0.297 4.847 4.550 -0.001 0.000 0.256 499 Y C 2.222 178.203 175.900 0.134 0.000 1.159 499 Y CA -0.116 58.096 58.100 0.186 0.000 1.261 499 Y CB -0.118 38.447 38.460 0.176 0.000 1.119 499 Y HN 0.117 nan 8.280 nan 0.000 0.524 500 R N 0.874 121.392 120.500 0.031 0.000 2.115 500 R HA -0.156 4.183 4.340 -0.001 0.000 0.230 500 R C 2.271 178.607 176.300 0.061 0.000 1.111 500 R CA 1.427 57.477 56.100 -0.083 0.000 0.976 500 R CB -0.179 29.948 30.300 -0.288 0.000 0.870 500 R HN 0.552 nan 8.270 nan 0.000 0.445 501 Q N -0.902 118.826 119.800 -0.120 0.000 2.297 501 Q HA -0.215 4.125 4.340 -0.001 0.000 0.208 501 Q C 0.668 176.514 176.000 -0.257 0.000 0.981 501 Q CA 1.643 57.301 55.803 -0.241 0.000 0.876 501 Q CB -0.231 28.212 28.738 -0.492 0.000 0.921 501 Q HN 0.517 nan 8.270 nan 0.000 0.446 502 Y N -0.572 119.752 120.300 0.041 0.000 2.457 502 Y HA 0.180 4.729 4.550 -0.001 0.000 0.263 502 Y C 0.831 176.518 175.900 -0.355 0.000 1.164 502 Y CA -0.092 57.920 58.100 -0.148 0.000 1.274 502 Y CB 0.619 38.951 38.460 -0.213 0.000 1.097 502 Y HN 0.261 nan 8.280 nan 0.000 0.523 503 H N -1.614 117.589 119.070 0.221 0.000 2.549 503 H HA 0.123 4.678 4.556 -0.001 0.000 0.253 503 H C 1.008 176.507 175.328 0.285 0.000 1.170 503 H CA -0.039 56.132 56.048 0.204 0.000 0.943 503 H CB 0.001 29.842 29.762 0.132 0.000 1.849 503 H HN 0.510 nan 8.280 nan 0.000 0.603 504 H N 1.939 121.129 119.070 0.199 0.000 2.457 504 H HA -0.116 4.440 4.556 -0.001 0.000 0.297 504 H C 1.454 176.800 175.328 0.030 0.000 1.092 504 H CA 1.602 57.708 56.048 0.098 0.000 1.309 504 H CB 0.504 30.288 29.762 0.035 0.000 1.382 504 H HN 0.560 nan 8.280 nan 0.000 0.535 505 D N 0.738 121.238 120.400 0.166 0.000 2.221 505 D HA -0.175 4.465 4.640 -0.001 0.000 0.204 505 D C 1.721 178.073 176.300 0.087 0.000 0.982 505 D CA 0.839 54.913 54.000 0.124 0.000 0.857 505 D CB -0.380 40.477 40.800 0.096 0.000 0.934 505 D HN 0.331 nan 8.370 nan 0.000 0.475 506 K N -0.682 119.740 120.400 0.037 0.000 2.209 506 K HA -0.047 4.273 4.320 -0.001 0.000 0.204 506 K C 1.779 178.255 176.600 -0.207 0.000 1.048 506 K CA 0.393 56.655 56.287 -0.042 0.000 0.940 506 K CB 0.127 32.635 32.500 0.014 0.000 0.729 506 K HN 0.089 nan 8.250 nan 0.000 0.451 507 L N -0.126 120.873 121.223 -0.373 0.000 2.354 507 L HA -0.027 4.312 4.340 -0.001 0.000 0.212 507 L C 2.269 179.238 176.870 0.165 0.000 1.091 507 L CA 1.493 56.109 54.840 -0.373 0.000 0.828 507 L CB -0.244 41.276 42.059 -0.899 0.000 0.973 507 L HN 0.220 nan 8.230 nan 0.000 0.461 508 T N -4.919 109.744 114.554 0.182 0.000 3.057 508 T HA -0.069 4.281 4.350 -0.001 0.000 0.254 508 T C 1.830 176.787 174.700 0.427 0.000 1.094 508 T CA 0.185 62.538 62.100 0.421 0.000 1.088 508 T CB -0.586 68.377 68.868 0.160 0.000 0.934 508 T HN 0.135 nan 8.240 nan 0.000 0.497 509 F N 2.496 122.561 119.950 0.192 0.000 2.259 509 F HA 0.203 4.729 4.527 -0.000 0.000 0.298 509 F C 2.400 178.289 175.800 0.147 0.000 1.088 509 F CA 0.896 59.013 58.000 0.194 0.000 1.358 509 F CB -0.494 38.620 39.000 0.190 0.000 1.040 509 F HN 0.267 nan 8.300 nan 0.000 0.505 510 G N 1.070 109.952 108.800 0.136 0.000 2.503 510 G HA2 -0.374 3.586 3.960 -0.001 0.000 0.221 510 G HA3 -0.374 3.586 3.960 -0.001 0.000 0.221 510 G C 1.583 176.182 174.900 -0.502 0.000 1.131 510 G CA 1.338 46.334 45.100 -0.173 0.000 0.756 510 G HN 0.588 nan 8.290 nan 0.000 0.572 511 I N -0.892 119.540 120.570 -0.230 0.000 2.617 511 I HA 0.095 4.265 4.170 -0.001 0.000 0.256 511 I C 2.177 178.099 176.117 -0.323 0.000 1.167 511 I CA 0.708 61.743 61.300 -0.443 0.000 1.469 511 I CB 0.003 37.607 38.000 -0.659 0.000 1.098 511 I HN 0.020 nan 8.210 nan 0.000 0.436 512 L N 0.635 121.699 121.223 -0.264 0.000 2.127 512 L HA -0.171 4.169 4.340 -0.001 0.000 0.211 512 L C 1.875 178.687 176.870 -0.096 0.000 1.089 512 L CA 1.980 56.729 54.840 -0.152 0.000 0.757 512 L CB -1.061 40.865 42.059 -0.222 0.000 0.899 512 L HN 0.722 nan 8.230 nan 0.000 0.434 513 Y N -4.521 115.657 120.300 -0.202 0.000 2.557 513 Y HA 0.311 4.861 4.550 -0.001 0.000 0.247 513 Y C 1.701 177.618 175.900 0.029 0.000 1.164 513 Y CA -0.481 57.581 58.100 -0.062 0.000 1.218 513 Y CB -1.373 37.050 38.460 -0.061 0.000 1.210 513 Y HN 0.085 nan 8.280 nan 0.000 0.529 514 N N 0.976 119.418 118.700 -0.430 0.000 2.205 514 N HA -0.240 4.500 4.740 -0.001 0.000 0.186 514 N C 0.269 175.507 175.510 -0.453 0.000 1.015 514 N CA 1.595 54.360 53.050 -0.475 0.000 0.862 514 N CB -0.216 37.709 38.487 -0.937 0.000 0.986 514 N HN 0.559 nan 8.380 nan 0.000 0.429 515 Y N 0.180 120.508 120.300 0.047 0.000 2.470 515 Y HA 0.116 4.666 4.550 -0.000 0.000 0.284 515 Y C 2.213 178.104 175.900 -0.016 0.000 1.188 515 Y CA 0.566 58.673 58.100 0.011 0.000 1.269 515 Y CB -0.165 38.288 38.460 -0.012 0.000 1.094 515 Y HN 0.145 nan 8.280 nan 0.000 0.518 516 T N -3.575 111.021 114.554 0.071 0.000 3.057 516 T HA 0.148 4.497 4.350 -0.001 0.000 0.254 516 T C 0.424 175.038 174.700 -0.142 0.000 1.094 516 T CA 0.304 62.418 62.100 0.023 0.000 1.088 516 T CB 0.354 69.290 68.868 0.114 0.000 0.934 516 T HN -0.009 nan 8.240 nan 0.000 0.497 517 E N 1.304 121.289 120.200 -0.358 0.000 2.413 517 E HA 0.369 4.719 4.350 -0.001 0.000 0.277 517 E C -1.416 174.695 176.600 -0.815 0.000 0.958 517 E CA -0.790 55.200 56.400 -0.684 0.000 0.779 517 E CB 1.398 30.441 29.700 -1.095 0.000 1.278 517 E HN 0.094 nan 8.360 nan 0.000 0.456 518 N N 1.642 119.890 118.700 -0.754 0.000 2.469 518 N HA 0.280 5.020 4.740 -0.001 0.000 0.239 518 N C -0.762 174.596 175.510 -0.253 0.000 1.053 518 N CA 0.062 52.595 53.050 -0.861 0.000 0.937 518 N CB 0.000 37.734 38.487 -1.256 0.000 1.163 518 N HN 0.219 nan 8.380 nan 0.000 0.509 519 F N 0.440 120.513 119.950 0.205 0.000 2.379 519 F HA 0.328 4.855 4.527 -0.001 0.000 0.332 519 F C 0.834 176.779 175.800 0.242 0.000 1.096 519 F CA -0.831 57.299 58.000 0.217 0.000 1.105 519 F CB 1.177 40.240 39.000 0.105 0.000 1.189 519 F HN -0.012 nan 8.300 nan 0.000 0.515 520 V N 4.433 124.583 119.914 0.392 0.000 2.435 520 V HA 0.284 4.403 4.120 -0.001 0.000 0.290 520 V C -0.161 175.858 176.094 -0.125 0.000 1.030 520 V CA -0.890 61.462 62.300 0.087 0.000 0.881 520 V CB 1.625 33.495 31.823 0.078 0.000 0.983 520 V HN 0.473 nan 8.190 nan 0.000 0.445 521 L N 7.796 128.805 121.223 -0.357 0.000 2.295 521 L HA 0.421 4.761 4.340 -0.001 0.000 0.288 521 L C -2.430 174.163 176.870 -0.461 0.000 1.079 521 L CA -1.389 53.119 54.840 -0.553 0.000 0.830 521 L CB 0.839 42.252 42.059 -1.078 0.000 1.200 521 L HN 0.429 nan 8.230 nan 0.000 0.438 522 P HA 0.321 nan 4.420 nan 0.000 0.304 522 P C -0.877 176.272 177.300 -0.251 0.000 1.360 522 P CA -0.581 62.184 63.100 -0.558 0.000 0.869 522 P CB 2.025 33.075 31.700 -1.083 0.000 0.988 523 L N 2.734 123.849 121.223 -0.181 0.000 2.506 523 L HA 0.314 4.653 4.340 -0.001 0.000 0.247 523 L C 0.789 177.615 176.870 -0.072 0.000 1.141 523 L CA -0.029 54.792 54.840 -0.032 0.000 0.973 523 L CB -0.217 41.905 42.059 0.105 0.000 1.319 523 L HN 0.395 nan 8.230 nan 0.000 0.455 524 S N -0.479 115.105 115.700 -0.193 0.000 2.738 524 S HA 0.278 4.748 4.470 -0.001 0.000 0.284 524 S C 1.534 175.917 174.600 -0.361 0.000 1.146 524 S CA 0.197 58.268 58.200 -0.214 0.000 0.997 524 S CB 0.570 63.619 63.200 -0.251 0.000 1.081 524 S HN 0.740 nan 8.310 nan 0.000 0.553 525 H N -0.614 117.954 119.070 -0.837 0.000 2.426 525 H HA -0.039 4.516 4.556 -0.001 0.000 0.298 525 H C 0.895 175.929 175.328 -0.489 0.000 1.107 525 H CA 1.877 57.141 56.048 -1.308 0.000 1.298 525 H CB -0.562 28.079 29.762 -1.868 0.000 1.377 525 H HN 0.580 nan 8.280 nan 0.000 0.519 526 D N 0.572 120.498 120.400 -0.790 0.000 2.371 526 D HA -0.077 4.562 4.640 -0.001 0.000 0.221 526 D C 0.976 177.201 176.300 -0.126 0.000 0.986 526 D CA 0.617 54.406 54.000 -0.352 0.000 0.899 526 D CB 0.043 40.694 40.800 -0.248 0.000 0.902 526 D HN 0.622 nan 8.370 nan 0.000 0.530 527 E N 0.035 120.152 120.200 -0.138 0.000 2.481 527 E HA 0.024 4.373 4.350 -0.001 0.000 0.198 527 E C 1.339 177.937 176.600 -0.002 0.000 1.027 527 E CA 0.130 56.506 56.400 -0.041 0.000 0.900 527 E CB 0.796 30.473 29.700 -0.037 0.000 0.993 527 E HN 0.196 nan 8.360 nan 0.000 0.482 528 V N -1.481 118.429 119.914 -0.006 0.000 2.909 528 V HA 0.378 4.497 4.120 -0.001 0.000 0.362 528 V C 0.216 176.359 176.094 0.082 0.000 1.356 528 V CA -0.705 61.634 62.300 0.064 0.000 1.195 528 V CB -0.059 31.842 31.823 0.130 0.000 1.256 528 V HN -0.084 nan 8.190 nan 0.000 0.567 529 V N -3.965 115.963 119.914 0.023 0.000 3.114 529 V HA 0.723 4.842 4.120 -0.001 0.000 0.308 529 V C 0.152 176.245 176.094 -0.002 0.000 1.168 529 V CA -0.734 61.523 62.300 -0.072 0.000 1.015 529 V CB 1.603 33.271 31.823 -0.258 0.000 1.050 529 V HN 0.523 nan 8.190 nan 0.000 0.433 530 H N 1.371 120.516 119.070 0.125 0.000 2.880 530 H HA -0.133 4.423 4.556 -0.001 0.000 0.304 530 H C 1.378 176.744 175.328 0.062 0.000 1.259 530 H CA 1.421 57.526 56.048 0.096 0.000 1.153 530 H CB -1.516 28.311 29.762 0.110 0.000 1.395 530 H HN 2.340 nan 8.280 nan 0.000 0.420 531 G N -0.738 108.151 108.800 0.148 0.000 2.176 531 G HA2 -0.389 3.571 3.960 -0.001 0.000 0.253 531 G HA3 -0.389 3.571 3.960 -0.001 0.000 0.253 531 G C 1.300 176.241 174.900 0.067 0.000 0.979 531 G CA 0.583 45.736 45.100 0.089 0.000 0.641 531 G HN 0.522 nan 8.290 nan 0.000 0.530 532 K N 0.534 120.982 120.400 0.080 0.000 2.365 532 K HA 0.162 4.481 4.320 -0.001 0.000 0.199 532 K C 1.035 177.654 176.600 0.032 0.000 1.045 532 K CA 1.029 57.348 56.287 0.054 0.000 0.962 532 K CB -0.048 32.490 32.500 0.063 0.000 0.759 532 K HN 0.620 nan 8.250 nan 0.000 0.469 533 K N -0.338 120.083 120.400 0.036 0.000 1.814 533 K HA -0.150 4.170 4.320 -0.001 0.000 0.820 533 K C -0.214 176.403 176.600 0.028 0.000 2.437 533 K CA 0.418 56.719 56.287 0.023 0.000 1.524 533 K CB -0.983 31.517 32.500 -0.000 0.000 2.773 533 K HN 0.316 nan 8.250 nan 0.000 0.164 534 S N -0.029 115.683 115.700 0.020 0.000 2.624 534 S HA 0.318 4.788 4.470 -0.001 0.000 0.263 534 S C 1.512 176.117 174.600 0.007 0.000 1.287 534 S CA -0.778 57.437 58.200 0.025 0.000 0.990 534 S CB 0.557 63.763 63.200 0.009 0.000 0.950 534 S HN 0.441 nan 8.310 nan 0.000 0.561 535 I N 0.440 121.030 120.570 0.033 0.000 2.226 535 I HA -0.106 4.064 4.170 -0.001 0.000 0.245 535 I C 2.347 178.432 176.117 -0.054 0.000 1.100 535 I CA 1.113 62.434 61.300 0.035 0.000 1.374 535 I CB -1.739 36.354 38.000 0.155 0.000 1.057 535 I HN 0.707 nan 8.210 nan 0.000 0.413 536 L N 1.187 122.354 121.223 -0.093 0.000 2.079 536 L HA -0.186 4.154 4.340 -0.001 0.000 0.210 536 L C 1.641 178.383 176.870 -0.213 0.000 1.081 536 L CA 2.007 56.715 54.840 -0.220 0.000 0.752 536 L CB -0.686 41.206 42.059 -0.278 0.000 0.896 536 L HN 0.113 nan 8.230 nan 0.000 0.433 537 D N -0.908 119.413 120.400 -0.132 0.000 2.349 537 D HA -0.010 4.630 4.640 -0.001 0.000 0.224 537 D C 2.029 178.266 176.300 -0.105 0.000 1.029 537 D CA 0.394 54.327 54.000 -0.112 0.000 0.879 537 D CB 0.090 40.852 40.800 -0.063 0.000 0.906 537 D HN 0.359 nan 8.370 nan 0.000 0.528 538 R N -0.433 119.998 120.500 -0.116 0.000 2.246 538 R HA 0.120 4.459 4.340 -0.001 0.000 0.199 538 R C 0.474 176.679 176.300 -0.159 0.000 0.984 538 R CA 0.187 56.212 56.100 -0.125 0.000 1.015 538 R CB 0.264 30.489 30.300 -0.126 0.000 0.930 538 R HN 0.048 nan 8.270 nan 0.000 0.475 539 M N 2.267 121.757 119.600 -0.184 0.000 2.219 539 M HA 0.170 4.650 4.480 -0.001 0.000 0.353 539 M C -2.085 174.116 176.300 -0.164 0.000 1.304 539 M CA -2.307 52.875 55.300 -0.198 0.000 1.115 539 M CB 0.239 32.694 32.600 -0.241 0.000 1.664 539 M HN -0.120 nan 8.290 nan 0.000 0.459 540 P HA 0.671 nan 4.420 nan 0.000 0.280 540 P C 0.108 177.356 177.300 -0.087 0.000 1.272 540 P CA 0.117 63.155 63.100 -0.102 0.000 0.819 540 P CB 1.290 32.937 31.700 -0.088 0.000 1.122 541 G N 0.641 109.407 108.800 -0.055 0.000 2.498 541 G HA2 0.009 3.969 3.960 -0.001 0.000 0.651 541 G HA3 0.009 3.969 3.960 -0.001 0.000 0.651 541 G C -0.989 173.898 174.900 -0.021 0.000 1.284 541 G CA -0.174 44.910 45.100 -0.025 0.000 0.950 541 G HN 0.831 nan 8.290 nan 0.000 0.511 542 D N 0.012 120.422 120.400 0.017 0.000 2.414 542 D HA 0.620 5.259 4.640 -0.001 0.000 0.251 542 D C 1.782 178.076 176.300 -0.011 0.000 1.252 542 D CA 0.685 54.701 54.000 0.026 0.000 0.999 542 D CB 0.305 41.148 40.800 0.072 0.000 1.093 542 D HN 1.340 nan 8.370 nan 0.000 0.515 543 A N -0.206 122.607 122.820 -0.012 0.000 1.865 543 A HA -0.182 4.138 4.320 -0.001 0.000 0.217 543 A C 2.076 179.469 177.584 -0.317 0.000 1.191 543 A CA 1.903 53.858 52.037 -0.136 0.000 0.623 543 A CB -1.632 17.311 19.000 -0.094 0.000 0.826 543 A HN 0.796 nan 8.150 nan 0.000 0.444 544 W N 0.503 121.582 121.300 -0.368 0.000 2.318 544 W HA -0.284 4.376 4.660 -0.001 0.000 0.313 544 W C 2.449 178.854 176.519 -0.189 0.000 1.221 544 W CA 2.398 59.524 57.345 -0.365 0.000 1.266 544 W CB -0.324 29.126 29.460 -0.017 0.000 1.150 544 W HN 0.470 nan 8.180 nan 0.000 0.496 545 Q N -0.108 119.747 119.800 0.092 0.000 2.124 545 Q HA -0.228 4.112 4.340 -0.001 0.000 0.202 545 Q C 2.188 178.059 176.000 -0.215 0.000 0.977 545 Q CA 1.980 57.767 55.803 -0.027 0.000 0.850 545 Q CB -0.258 28.546 28.738 0.110 0.000 0.901 545 Q HN 0.325 nan 8.270 nan 0.000 0.429 546 K N -0.188 120.069 120.400 -0.237 0.000 2.032 546 K HA -0.149 4.171 4.320 -0.001 0.000 0.209 546 K C 1.768 178.103 176.600 -0.441 0.000 1.048 546 K CA 1.404 57.487 56.287 -0.340 0.000 0.927 546 K CB -0.155 32.098 32.500 -0.412 0.000 0.712 546 K HN 0.136 nan 8.250 nan 0.000 0.441 547 F N 0.737 120.387 119.950 -0.500 0.000 2.259 547 F HA -0.060 4.467 4.527 -0.001 0.000 0.298 547 F C 2.431 177.971 175.800 -0.434 0.000 1.088 547 F CA 0.805 58.536 58.000 -0.449 0.000 1.358 547 F CB -0.407 38.291 39.000 -0.504 0.000 1.040 547 F HN 0.037 nan 8.300 nan 0.000 0.505 548 A N 0.431 122.987 122.820 -0.440 0.000 1.855 548 A HA -0.188 4.132 4.320 -0.001 0.000 0.215 548 A C 2.235 179.667 177.584 -0.252 0.000 1.191 548 A CA 1.782 53.521 52.037 -0.497 0.000 0.613 548 A CB -0.874 17.545 19.000 -0.969 0.000 0.829 548 A HN 0.303 nan 8.150 nan 0.000 0.442 549 N N -0.151 118.427 118.700 -0.204 0.000 2.037 549 N HA -0.196 4.544 4.740 -0.001 0.000 0.196 549 N C 1.678 177.144 175.510 -0.074 0.000 1.034 549 N CA 1.799 54.799 53.050 -0.083 0.000 0.861 549 N CB -0.603 37.819 38.487 -0.109 0.000 1.039 549 N HN 0.365 nan 8.380 nan 0.000 0.427 550 L N 2.093 123.200 121.223 -0.193 0.000 2.013 550 L HA -0.164 4.176 4.340 -0.001 0.000 0.212 550 L C 2.367 179.026 176.870 -0.352 0.000 1.073 550 L CA 1.642 56.311 54.840 -0.285 0.000 0.753 550 L CB -0.499 41.332 42.059 -0.380 0.000 0.890 550 L HN 0.102 nan 8.230 nan 0.000 0.432 551 R N -0.952 119.411 120.500 -0.230 0.000 2.070 551 R HA -0.123 4.217 4.340 -0.001 0.000 0.233 551 R C 2.212 178.492 176.300 -0.033 0.000 1.137 551 R CA 1.394 57.395 56.100 -0.164 0.000 0.945 551 R CB -0.722 29.497 30.300 -0.136 0.000 0.845 551 R HN 0.530 nan 8.270 nan 0.000 0.430 552 A N 0.493 123.322 122.820 0.016 0.000 1.908 552 A HA -0.248 4.072 4.320 -0.001 0.000 0.218 552 A C 2.011 179.826 177.584 0.385 0.000 1.181 552 A CA 1.401 53.508 52.037 0.116 0.000 0.627 552 A CB -0.893 18.116 19.000 0.014 0.000 0.818 552 A HN 0.549 nan 8.150 nan 0.000 0.445 553 Y N -1.245 119.206 120.300 0.252 0.000 2.128 553 Y HA -0.307 4.243 4.550 -0.001 0.000 0.284 553 Y C 2.305 178.535 175.900 0.549 0.000 1.154 553 Y CA 1.946 60.261 58.100 0.359 0.000 1.149 553 Y CB -0.238 38.303 38.460 0.136 0.000 0.976 553 Y HN 0.385 nan 8.280 nan 0.000 0.505 554 Y N 0.213 120.623 120.300 0.183 0.000 2.224 554 Y HA -0.102 4.447 4.550 -0.001 0.000 0.289 554 Y C 2.645 178.725 175.900 0.299 0.000 1.146 554 Y CA 0.659 58.854 58.100 0.158 0.000 1.182 554 Y CB -1.449 36.989 38.460 -0.035 0.000 0.983 554 Y HN 0.244 nan 8.280 nan 0.000 0.524 555 G N -0.408 108.620 108.800 0.380 0.000 2.440 555 G HA2 -0.279 3.680 3.960 -0.001 0.000 0.218 555 G HA3 -0.279 3.680 3.960 -0.001 0.000 0.218 555 G C 1.714 177.060 174.900 0.744 0.000 1.154 555 G CA 0.709 46.043 45.100 0.389 0.000 0.767 555 G HN 0.541 nan 8.290 nan 0.000 0.552 556 W N 0.755 122.379 121.300 0.540 0.000 2.354 556 W HA -0.098 4.562 4.660 -0.000 0.000 0.315 556 W C 2.428 179.311 176.519 0.607 0.000 1.206 556 W CA 1.604 59.321 57.345 0.621 0.000 1.290 556 W CB -0.319 29.536 29.460 0.658 0.000 1.152 556 W HN 0.291 nan 8.180 nan 0.000 0.489 557 M N -0.082 119.938 119.600 0.700 0.000 2.106 557 M HA -0.287 4.192 4.480 -0.001 0.000 0.259 557 M C 2.128 178.543 176.300 0.190 0.000 1.068 557 M CA 2.311 57.871 55.300 0.433 0.000 1.100 557 M CB -0.919 31.878 32.600 0.330 0.000 1.351 557 M HN 0.077 nan 8.290 nan 0.000 0.404 558 W N -0.271 121.129 121.300 0.166 0.000 2.800 558 W HA 0.036 4.696 4.660 -0.001 0.000 0.249 558 W C 2.040 178.653 176.519 0.157 0.000 1.294 558 W CA 0.903 58.303 57.345 0.093 0.000 1.402 558 W CB -0.021 29.565 29.460 0.210 0.000 1.126 558 W HN 0.429 nan 8.180 nan 0.000 0.652 559 A N -1.011 122.026 122.820 0.361 0.000 2.115 559 A HA 0.037 4.357 4.320 -0.001 0.000 0.211 559 A C 0.367 177.974 177.584 0.038 0.000 1.169 559 A CA -0.110 51.945 52.037 0.030 0.000 0.787 559 A CB -0.582 18.392 19.000 -0.043 0.000 0.858 559 A HN 0.036 nan 8.150 nan 0.000 0.474 560 F N 1.327 121.154 119.950 -0.205 0.000 2.429 560 F HA 0.431 4.958 4.527 -0.000 0.000 0.348 560 F C -2.312 173.227 175.800 -0.435 0.000 1.109 560 F CA -2.393 55.339 58.000 -0.447 0.000 1.232 560 F CB 0.731 39.423 39.000 -0.514 0.000 1.157 560 F HN -0.060 nan 8.300 nan 0.000 0.564 561 P HA 0.264 nan 4.420 nan 0.000 0.263 561 P C -0.575 176.471 177.300 -0.423 0.000 1.175 561 P CA 0.764 63.463 63.100 -0.669 0.000 0.761 561 P CB 0.216 31.373 31.700 -0.905 0.000 0.794 562 G N 1.302 109.926 108.800 -0.293 0.000 2.525 562 G HA2 0.014 3.974 3.960 -0.001 0.000 0.685 562 G HA3 0.014 3.974 3.960 -0.001 0.000 0.685 562 G C -1.146 173.671 174.900 -0.139 0.000 1.285 562 G CA -1.002 44.035 45.100 -0.105 0.000 0.849 562 G HN 0.312 nan 8.290 nan 0.000 0.653 563 K N 0.373 120.761 120.400 -0.020 0.000 2.132 563 K HA 0.502 4.821 4.320 -0.001 0.000 0.240 563 K C 0.338 176.728 176.600 -0.350 0.000 1.036 563 K CA -0.186 56.026 56.287 -0.125 0.000 0.888 563 K CB 0.511 32.960 32.500 -0.086 0.000 1.071 563 K HN 0.551 nan 8.250 nan 0.000 0.502 564 K N 0.933 121.063 120.400 -0.451 0.000 2.259 564 K HA 0.517 4.837 4.320 -0.001 0.000 0.252 564 K C -0.423 175.937 176.600 -0.402 0.000 0.936 564 K CA -0.786 55.117 56.287 -0.641 0.000 0.810 564 K CB 1.682 33.487 32.500 -1.160 0.000 1.143 564 K HN 0.565 nan 8.250 nan 0.000 0.427 565 L N 2.398 123.392 121.223 -0.382 0.000 2.464 565 L HA 0.522 4.862 4.340 -0.001 0.000 0.266 565 L C -1.925 174.847 176.870 -0.163 0.000 0.965 565 L CA -1.042 53.660 54.840 -0.230 0.000 0.833 565 L CB 1.702 43.567 42.059 -0.323 0.000 1.296 565 L HN 0.548 nan 8.230 nan 0.000 0.405 566 L N 4.492 125.714 121.223 -0.002 0.000 2.438 566 L HA 0.530 4.870 4.340 -0.001 0.000 0.270 566 L C -1.209 175.702 176.870 0.070 0.000 0.972 566 L CA -0.118 54.776 54.840 0.089 0.000 0.831 566 L CB 1.759 43.989 42.059 0.286 0.000 1.273 566 L HN 0.561 nan 8.230 nan 0.000 0.405 567 F N 5.721 125.609 119.950 -0.103 0.000 2.429 567 F HA 0.453 4.980 4.527 -0.001 0.000 0.348 567 F C 0.712 176.397 175.800 -0.191 0.000 1.109 567 F CA -0.793 57.083 58.000 -0.206 0.000 1.232 567 F CB 0.897 39.777 39.000 -0.201 0.000 1.157 567 F HN 0.630 nan 8.300 nan 0.000 0.564 568 M N 4.252 123.169 119.600 -1.139 0.000 2.235 568 M HA 0.274 4.753 4.480 -0.001 0.000 0.336 568 M C 1.035 176.985 176.300 -0.583 0.000 1.146 568 M CA 1.054 55.903 55.300 -0.752 0.000 1.018 568 M CB -0.585 31.549 32.600 -0.777 0.000 1.694 568 M HN 1.004 nan 8.290 nan 0.000 0.451 569 G N 2.276 110.838 108.800 -0.396 0.000 2.363 569 G HA2 -0.348 3.612 3.960 -0.001 0.000 0.238 569 G HA3 -0.348 3.612 3.960 -0.001 0.000 0.238 569 G C 0.687 175.206 174.900 -0.635 0.000 1.062 569 G CA 0.651 45.266 45.100 -0.808 0.000 0.629 569 G HN 0.907 nan 8.290 nan 0.000 0.514 570 N N 1.167 119.746 118.700 -0.202 0.000 2.289 570 N HA -0.048 4.692 4.740 -0.001 0.000 0.184 570 N C 2.004 177.584 175.510 0.117 0.000 1.016 570 N CA 1.254 54.320 53.050 0.027 0.000 0.872 570 N CB -0.168 38.416 38.487 0.162 0.000 0.973 570 N HN 0.749 nan 8.380 nan 0.000 0.433 571 E N 1.466 121.728 120.200 0.103 0.000 2.358 571 E HA -0.147 4.202 4.350 -0.001 0.000 0.195 571 E C 0.598 177.385 176.600 0.311 0.000 1.010 571 E CA 0.725 57.275 56.400 0.251 0.000 0.856 571 E CB -0.212 29.725 29.700 0.395 0.000 0.795 571 E HN 0.640 nan 8.360 nan 0.000 0.504 572 F N -1.153 118.932 119.950 0.226 0.000 2.735 572 F HA 0.738 5.264 4.527 -0.001 0.000 0.304 572 F C 0.546 176.524 175.800 0.296 0.000 1.119 572 F CA -0.659 57.472 58.000 0.218 0.000 1.280 572 F CB 0.374 39.441 39.000 0.111 0.000 0.994 572 F HN 0.017 nan 8.300 nan 0.000 0.520 573 A N 0.998 123.909 122.820 0.152 0.000 2.610 573 A HA -0.329 3.990 4.320 -0.001 0.000 0.299 573 A C 0.605 178.283 177.584 0.156 0.000 1.487 573 A CA 1.044 53.185 52.037 0.173 0.000 0.743 573 A CB -2.387 16.785 19.000 0.286 0.000 1.070 573 A HN 0.812 nan 8.150 nan 0.000 0.439 574 Q N -0.585 119.098 119.800 -0.195 0.000 2.304 574 Q HA 0.240 4.580 4.340 -0.001 0.000 0.301 574 Q C 1.496 177.489 176.000 -0.011 0.000 1.063 574 Q CA 0.999 56.721 55.803 -0.136 0.000 0.947 574 Q CB 0.331 28.892 28.738 -0.295 0.000 1.201 574 Q HN 0.918 nan 8.270 nan 0.000 0.389 575 G N 4.690 113.514 108.800 0.040 0.000 2.396 575 G HA2 -0.071 3.889 3.960 -0.001 0.000 0.214 575 G HA3 -0.071 3.889 3.960 -0.001 0.000 0.214 575 G C 0.240 175.157 174.900 0.029 0.000 1.166 575 G CA -0.024 45.104 45.100 0.048 0.000 0.793 575 G HN 0.536 nan 8.290 nan 0.000 0.533 576 R N 0.887 121.410 120.500 0.037 0.000 2.528 576 R HA 0.344 4.683 4.340 -0.001 0.000 0.271 576 R C -0.264 176.068 176.300 0.054 0.000 1.056 576 R CA -0.455 55.672 56.100 0.044 0.000 1.117 576 R CB 1.016 31.349 30.300 0.054 0.000 1.085 576 R HN 0.278 nan 8.270 nan 0.000 0.530 577 E N 0.955 121.191 120.200 0.060 0.000 2.436 577 E HA -0.143 4.207 4.350 -0.001 0.000 0.262 577 E C -0.548 176.136 176.600 0.140 0.000 1.063 577 E CA 0.116 56.571 56.400 0.091 0.000 0.944 577 E CB 0.408 30.143 29.700 0.058 0.000 0.950 577 E HN 0.362 nan 8.360 nan 0.000 0.444 578 W N 3.515 124.827 121.300 0.021 0.000 2.223 578 W HA -0.021 4.639 4.660 -0.000 0.000 0.334 578 W C -0.389 176.143 176.519 0.023 0.000 1.334 578 W CA -0.048 57.328 57.345 0.051 0.000 1.246 578 W CB 0.042 29.596 29.460 0.158 0.000 1.184 578 W HN 0.385 nan 8.180 nan 0.000 0.563 579 N N 3.790 122.223 118.700 -0.444 0.000 2.483 579 N HA 0.095 4.835 4.740 -0.001 0.000 0.267 579 N C 0.833 175.962 175.510 -0.635 0.000 0.998 579 N CA -0.575 52.161 53.050 -0.524 0.000 0.918 579 N CB 0.573 38.943 38.487 -0.196 0.000 1.215 579 N HN 0.690 nan 8.380 nan 0.000 0.500 580 H N 1.149 119.733 119.070 -0.810 0.000 2.521 580 H HA 0.020 4.576 4.556 -0.001 0.000 0.286 580 H C 0.568 175.993 175.328 0.162 0.000 1.034 580 H CA 0.766 56.633 56.048 -0.300 0.000 1.278 580 H CB 0.228 29.815 29.762 -0.291 0.000 1.386 580 H HN 0.423 nan 8.280 nan 0.000 0.567 581 D N 0.511 120.596 120.400 -0.525 0.000 2.336 581 D HA 0.388 5.028 4.640 -0.001 0.000 0.228 581 D C -0.230 176.054 176.300 -0.027 0.000 1.120 581 D CA 0.419 54.285 54.000 -0.224 0.000 0.839 581 D CB -0.045 40.533 40.800 -0.370 0.000 0.932 581 D HN 0.610 nan 8.370 nan 0.000 0.509 582 A N -1.183 121.670 122.820 0.054 0.000 2.601 582 A HA 0.528 4.848 4.320 -0.001 0.000 0.291 582 A C -0.368 177.324 177.584 0.180 0.000 1.075 582 A CA -0.613 51.480 52.037 0.093 0.000 0.671 582 A CB 0.902 19.922 19.000 0.034 0.000 1.277 582 A HN -0.056 nan 8.150 nan 0.000 0.417 583 S N -0.182 115.622 115.700 0.174 0.000 2.558 583 S HA 0.314 4.784 4.470 -0.001 0.000 0.287 583 S C 0.528 175.222 174.600 0.157 0.000 1.321 583 S CA -0.158 58.161 58.200 0.197 0.000 1.048 583 S CB -0.527 62.785 63.200 0.186 0.000 0.844 583 S HN 0.558 nan 8.310 nan 0.000 0.512 584 L N 2.616 123.901 121.223 0.103 0.000 2.472 584 L HA 0.094 4.433 4.340 -0.001 0.000 0.273 584 L C 0.581 177.354 176.870 -0.161 0.000 1.254 584 L CA -0.079 54.710 54.840 -0.085 0.000 0.823 584 L CB 0.124 41.968 42.059 -0.358 0.000 1.096 584 L HN 0.617 nan 8.230 nan 0.000 0.521 585 D N 0.513 120.817 120.400 -0.161 0.000 2.845 585 D HA 0.046 4.686 4.640 -0.001 0.000 0.235 585 D C 0.685 176.705 176.300 -0.467 0.000 1.158 585 D CA 0.134 54.032 54.000 -0.170 0.000 0.990 585 D CB -0.036 40.680 40.800 -0.141 0.000 1.094 585 D HN 0.387 nan 8.370 nan 0.000 0.486 586 W N 0.454 121.590 121.300 -0.274 0.000 2.392 586 W HA -0.165 4.495 4.660 -0.001 0.000 0.279 586 W C 2.506 178.791 176.519 -0.391 0.000 1.225 586 W CA 0.521 57.573 57.345 -0.489 0.000 1.233 586 W CB -0.475 28.745 29.460 -0.400 0.000 1.122 586 W HN 0.470 nan 8.180 nan 0.000 0.561 587 H N -0.188 118.875 119.070 -0.012 0.000 2.492 587 H HA -0.155 4.401 4.556 -0.001 0.000 0.296 587 H C 1.682 176.964 175.328 -0.077 0.000 1.095 587 H CA 1.476 57.508 56.048 -0.027 0.000 1.281 587 H CB -0.986 28.772 29.762 -0.008 0.000 1.374 587 H HN 0.250 nan 8.280 nan 0.000 0.545 588 L N 0.560 121.396 121.223 -0.645 0.000 2.265 588 L HA -0.098 4.241 4.340 -0.001 0.000 0.215 588 L C 2.035 178.707 176.870 -0.329 0.000 1.117 588 L CA 0.721 55.256 54.840 -0.509 0.000 0.782 588 L CB -0.149 41.461 42.059 -0.747 0.000 0.914 588 L HN 0.242 nan 8.230 nan 0.000 0.441 589 L N -0.488 120.542 121.223 -0.321 0.000 2.700 589 L HA 0.128 4.468 4.340 -0.001 0.000 0.234 589 L C 0.816 177.679 176.870 -0.010 0.000 1.156 589 L CA -0.262 54.389 54.840 -0.314 0.000 0.946 589 L CB -0.059 41.808 42.059 -0.320 0.000 1.216 589 L HN 0.281 nan 8.230 nan 0.000 0.493 590 E N -0.235 119.986 120.200 0.034 0.000 2.283 590 E HA 0.472 4.822 4.350 -0.001 0.000 0.267 590 E C 0.434 177.112 176.600 0.130 0.000 1.045 590 E CA -0.399 56.061 56.400 0.100 0.000 0.884 590 E CB 1.103 30.848 29.700 0.075 0.000 1.106 590 E HN 0.068 nan 8.360 nan 0.000 0.408 591 G N 0.567 109.431 108.800 0.106 0.000 2.324 591 G HA2 0.113 4.072 3.960 -0.001 0.000 0.292 591 G HA3 0.113 4.072 3.960 -0.001 0.000 0.292 591 G C 0.516 175.462 174.900 0.075 0.000 1.079 591 G CA 0.354 45.500 45.100 0.077 0.000 1.026 591 G HN 1.400 nan 8.290 nan 0.000 0.506 592 G N -0.845 107.991 108.800 0.061 0.000 3.067 592 G HA2 0.330 4.290 3.960 -0.001 0.000 0.686 592 G HA3 0.330 4.290 3.960 -0.001 0.000 0.686 592 G C -0.440 174.459 174.900 -0.002 0.000 1.119 592 G CA 0.300 45.400 45.100 -0.000 0.000 0.790 592 G HN 1.172 nan 8.290 nan 0.000 0.605 593 D N 0.657 120.983 120.400 -0.124 0.000 2.487 593 D HA 0.411 5.051 4.640 -0.001 0.000 0.243 593 D C 0.919 177.219 176.300 0.000 0.000 1.154 593 D CA 1.264 55.179 54.000 -0.142 0.000 0.876 593 D CB 0.413 41.159 40.800 -0.090 0.000 1.161 593 D HN 0.807 nan 8.370 nan 0.000 0.478 594 N N 1.334 120.147 118.700 0.189 0.000 3.102 594 N HA 0.301 5.040 4.740 -0.001 0.000 0.299 594 N C 0.048 175.283 175.510 -0.458 0.000 1.482 594 N CA -0.943 51.918 53.050 -0.315 0.000 0.785 594 N CB -0.164 38.272 38.487 -0.085 0.000 1.680 594 N HN 0.381 nan 8.380 nan 0.000 0.594 595 W N -0.622 120.319 121.300 -0.597 0.000 2.305 595 W HA -0.158 4.502 4.660 -0.001 0.000 0.308 595 W C 1.929 178.200 176.519 -0.413 0.000 1.226 595 W CA 1.352 58.209 57.345 -0.814 0.000 1.253 595 W CB -0.557 27.696 29.460 -2.012 0.000 1.146 595 W HN 0.520 nan 8.180 nan 0.000 0.507 596 H N -1.592 117.543 119.070 0.107 0.000 2.423 596 H HA -0.092 4.463 4.556 -0.001 0.000 0.297 596 H C 1.941 177.368 175.328 0.165 0.000 1.075 596 H CA 1.540 57.708 56.048 0.201 0.000 1.342 596 H CB -0.633 29.223 29.762 0.157 0.000 1.395 596 H HN 0.354 nan 8.280 nan 0.000 0.530 597 H N 0.050 119.288 119.070 0.281 0.000 2.389 597 H HA -0.051 4.505 4.556 -0.001 0.000 0.299 597 H C 2.485 177.943 175.328 0.215 0.000 1.081 597 H CA 1.019 57.205 56.048 0.230 0.000 1.345 597 H CB -0.318 29.550 29.762 0.177 0.000 1.393 597 H HN 0.422 nan 8.280 nan 0.000 0.520 598 G N 0.616 109.652 108.800 0.393 0.000 2.421 598 G HA2 -0.198 3.762 3.960 -0.001 0.000 0.216 598 G HA3 -0.198 3.762 3.960 -0.001 0.000 0.216 598 G C 1.955 177.006 174.900 0.252 0.000 1.171 598 G CA 1.119 46.416 45.100 0.327 0.000 0.775 598 G HN 0.259 nan 8.290 nan 0.000 0.543 599 V N 0.580 120.642 119.914 0.246 0.000 2.343 599 V HA -0.245 3.875 4.120 -0.001 0.000 0.247 599 V C 2.771 178.967 176.094 0.171 0.000 1.051 599 V CA 2.290 64.701 62.300 0.185 0.000 1.036 599 V CB -0.544 31.449 31.823 0.283 0.000 0.654 599 V HN 0.495 nan 8.190 nan 0.000 0.451 600 Q N -0.137 119.819 119.800 0.261 0.000 2.096 600 Q HA -0.275 4.065 4.340 -0.001 0.000 0.204 600 Q C 2.463 178.554 176.000 0.152 0.000 0.982 600 Q CA 1.991 57.951 55.803 0.262 0.000 0.850 600 Q CB -0.061 28.896 28.738 0.366 0.000 0.901 600 Q HN 0.513 nan 8.270 nan 0.000 0.422 601 R N -0.200 120.396 120.500 0.160 0.000 2.092 601 R HA -0.145 4.195 4.340 -0.001 0.000 0.231 601 R C 2.349 178.678 176.300 0.049 0.000 1.119 601 R CA 1.167 57.348 56.100 0.134 0.000 0.970 601 R CB -0.250 30.122 30.300 0.120 0.000 0.864 601 R HN 0.294 nan 8.270 nan 0.000 0.440 602 L N 0.112 121.244 121.223 -0.152 0.000 2.046 602 L HA -0.121 4.219 4.340 -0.001 0.000 0.208 602 L C 1.874 178.481 176.870 -0.438 0.000 1.077 602 L CA 1.600 56.094 54.840 -0.577 0.000 0.747 602 L CB -0.399 41.115 42.059 -0.908 0.000 0.896 602 L HN -0.049 nan 8.230 nan 0.000 0.432 603 V N 0.155 119.871 119.914 -0.330 0.000 2.407 603 V HA -0.293 3.826 4.120 -0.001 0.000 0.248 603 V C 2.835 178.621 176.094 -0.513 0.000 1.055 603 V CA 2.110 64.104 62.300 -0.509 0.000 1.049 603 V CB -0.730 30.906 31.823 -0.312 0.000 0.662 603 V HN 0.558 nan 8.190 nan 0.000 0.455 604 R N 0.040 120.344 120.500 -0.328 0.000 2.073 604 R HA -0.187 4.153 4.340 -0.001 0.000 0.234 604 R C 2.023 178.141 176.300 -0.304 0.000 1.134 604 R CA 2.123 58.023 56.100 -0.334 0.000 0.952 604 R CB -0.321 29.818 30.300 -0.268 0.000 0.850 604 R HN 0.490 nan 8.270 nan 0.000 0.433 605 D N 0.320 120.578 120.400 -0.235 0.000 2.144 605 D HA -0.139 4.501 4.640 -0.001 0.000 0.200 605 D C 1.831 177.982 176.300 -0.248 0.000 0.978 605 D CA 0.693 54.587 54.000 -0.177 0.000 0.833 605 D CB -0.092 40.683 40.800 -0.042 0.000 0.961 605 D HN 0.133 nan 8.370 nan 0.000 0.470 606 L N 1.358 122.315 121.223 -0.443 0.000 1.989 606 L HA -0.146 4.194 4.340 -0.001 0.000 0.211 606 L C 1.961 178.696 176.870 -0.226 0.000 1.071 606 L CA 1.470 55.974 54.840 -0.559 0.000 0.749 606 L CB -1.294 40.049 42.059 -1.193 0.000 0.890 606 L HN 0.009 nan 8.230 nan 0.000 0.431 607 N N -0.275 118.247 118.700 -0.296 0.000 2.037 607 N HA -0.213 4.527 4.740 -0.001 0.000 0.196 607 N C 1.939 177.521 175.510 0.121 0.000 1.034 607 N CA 1.471 54.541 53.050 0.034 0.000 0.861 607 N CB -0.510 37.831 38.487 -0.244 0.000 1.039 607 N HN 0.292 nan 8.380 nan 0.000 0.427 608 L N 0.397 121.605 121.223 -0.024 0.000 2.056 608 L HA -0.127 4.212 4.340 -0.001 0.000 0.207 608 L C 2.187 179.132 176.870 0.126 0.000 1.078 608 L CA 1.249 56.090 54.840 0.002 0.000 0.749 608 L CB -0.955 41.041 42.059 -0.104 0.000 0.901 608 L HN 0.212 nan 8.230 nan 0.000 0.433 609 T N -1.095 113.564 114.554 0.175 0.000 2.737 609 T HA -0.257 4.093 4.350 -0.001 0.000 0.265 609 T C 1.735 176.780 174.700 0.575 0.000 1.038 609 T CA 1.444 63.763 62.100 0.365 0.000 1.144 609 T CB -0.516 68.543 68.868 0.318 0.000 0.866 609 T HN 0.332 nan 8.240 nan 0.000 0.434 610 Y N 2.308 122.896 120.300 0.480 0.000 2.207 610 Y HA -0.165 4.384 4.550 -0.000 0.000 0.287 610 Y C 2.344 178.457 175.900 0.356 0.000 1.156 610 Y CA 1.279 59.668 58.100 0.481 0.000 1.182 610 Y CB -0.194 38.601 38.460 0.559 0.000 0.979 610 Y HN 0.024 nan 8.280 nan 0.000 0.521 611 R N -1.648 118.961 120.500 0.183 0.000 2.161 611 R HA -0.089 4.251 4.340 -0.001 0.000 0.213 611 R C 1.929 178.259 176.300 0.051 0.000 1.055 611 R CA 1.134 57.202 56.100 -0.052 0.000 0.996 611 R CB -0.401 29.897 30.300 -0.003 0.000 0.901 611 R HN 0.451 nan 8.270 nan 0.000 0.456 612 H N -0.125 118.957 119.070 0.020 0.000 2.403 612 H HA 0.051 4.606 4.556 -0.000 0.000 0.298 612 H C 0.019 175.232 175.328 -0.191 0.000 1.059 612 H CA 0.892 56.874 56.048 -0.109 0.000 1.363 612 H CB 0.344 29.990 29.762 -0.193 0.000 1.410 612 H HN 0.068 nan 8.280 nan 0.000 0.528 613 H N 1.450 120.570 119.070 0.083 0.000 2.640 613 H HA 0.110 4.666 4.556 -0.001 0.000 0.297 613 H C 0.812 176.050 175.328 -0.150 0.000 1.073 613 H CA -0.438 55.594 56.048 -0.026 0.000 1.305 613 H CB 1.443 31.244 29.762 0.064 0.000 1.404 613 H HN 0.266 nan 8.280 nan 0.000 0.459 614 K N 2.438 122.732 120.400 -0.178 0.000 2.113 614 K HA -0.150 4.169 4.320 -0.001 0.000 0.208 614 K C 1.948 178.231 176.600 -0.529 0.000 1.047 614 K CA 1.088 57.061 56.287 -0.522 0.000 0.928 614 K CB -0.370 31.966 32.500 -0.272 0.000 0.716 614 K HN 0.589 nan 8.250 nan 0.000 0.446 615 A N 1.426 124.101 122.820 -0.242 0.000 1.986 615 A HA -0.166 4.154 4.320 -0.001 0.000 0.220 615 A C 2.023 179.472 177.584 -0.225 0.000 1.171 615 A CA 1.633 53.550 52.037 -0.200 0.000 0.640 615 A CB -0.388 18.534 19.000 -0.130 0.000 0.811 615 A HN 0.164 nan 8.150 nan 0.000 0.451 616 M N -0.785 118.692 119.600 -0.204 0.000 2.562 616 M HA 0.012 4.492 4.480 -0.001 0.000 0.257 616 M C 1.255 177.550 176.300 -0.008 0.000 1.099 616 M CA 1.709 56.959 55.300 -0.084 0.000 1.099 616 M CB -1.191 31.468 32.600 0.098 0.000 1.427 616 M HN 0.921 nan 8.290 nan 0.000 0.489 617 H N -3.706 115.277 119.070 -0.145 0.000 3.950 617 H HA 0.283 4.839 4.556 -0.000 0.000 0.262 617 H C 1.391 176.637 175.328 -0.138 0.000 1.115 617 H CA 0.203 56.151 56.048 -0.167 0.000 1.171 617 H CB -0.357 29.174 29.762 -0.385 0.000 1.477 617 H HN 0.255 nan 8.280 nan 0.000 0.729 618 E N 0.631 120.623 120.200 -0.346 0.000 2.208 618 E HA 0.012 4.362 4.350 -0.001 0.000 0.193 618 E C 0.042 176.604 176.600 -0.064 0.000 0.988 618 E CA 0.592 56.910 56.400 -0.137 0.000 0.828 618 E CB 0.337 29.913 29.700 -0.208 0.000 0.763 618 E HN 0.265 nan 8.360 nan 0.000 0.478 619 L N 1.614 122.765 121.223 -0.119 0.000 3.083 619 L HA 0.157 4.497 4.340 -0.001 0.000 0.286 619 L C 0.005 176.755 176.870 -0.199 0.000 1.307 619 L CA 0.110 54.897 54.840 -0.088 0.000 0.897 619 L CB 0.971 43.021 42.059 -0.014 0.000 1.306 619 L HN -0.019 nan 8.230 nan 0.000 0.569 620 D N -0.027 120.101 120.400 -0.454 0.000 2.218 620 D HA -0.128 4.512 4.640 -0.001 0.000 0.204 620 D C 1.154 177.092 176.300 -0.602 0.000 0.976 620 D CA 1.699 55.263 54.000 -0.727 0.000 0.853 620 D CB 0.207 40.251 40.800 -1.261 0.000 0.939 620 D HN 0.413 nan 8.370 nan 0.000 0.481 621 F N -0.347 119.645 119.950 0.070 0.000 2.683 621 F HA 0.204 4.730 4.527 -0.001 0.000 0.306 621 F C 0.581 176.508 175.800 0.211 0.000 1.102 621 F CA -0.756 57.308 58.000 0.106 0.000 1.244 621 F CB 0.913 39.874 39.000 -0.066 0.000 1.029 621 F HN -0.324 nan 8.300 nan 0.000 0.545 622 D N 1.126 121.670 120.400 0.239 0.000 2.375 622 D HA 0.250 4.890 4.640 -0.001 0.000 0.247 622 D C -2.119 174.134 176.300 -0.078 0.000 1.061 622 D CA -2.235 51.799 54.000 0.058 0.000 0.834 622 D CB 2.633 43.472 40.800 0.065 0.000 1.247 622 D HN -0.170 nan 8.370 nan 0.000 0.489 623 P HA -0.144 nan 4.420 nan 0.000 0.218 623 P C 1.074 178.314 177.300 -0.100 0.000 1.146 623 P CA 0.834 63.654 63.100 -0.466 0.000 0.813 623 P CB -0.050 31.370 31.700 -0.465 0.000 0.778 624 Y N 0.361 120.582 120.300 -0.131 0.000 2.569 624 Y HA -0.012 4.538 4.550 -0.000 0.000 0.293 624 Y C 2.093 177.958 175.900 -0.059 0.000 1.144 624 Y CA 1.389 59.443 58.100 -0.077 0.000 1.321 624 Y CB -0.764 37.656 38.460 -0.067 0.000 0.982 624 Y HN -0.111 nan 8.280 nan 0.000 0.558 625 G N -1.460 107.299 108.800 -0.068 0.000 2.985 625 G HA2 0.007 3.967 3.960 -0.001 0.000 0.209 625 G HA3 0.007 3.967 3.960 -0.001 0.000 0.209 625 G C -0.530 174.296 174.900 -0.123 0.000 1.165 625 G CA -0.070 44.962 45.100 -0.114 0.000 0.776 625 G HN 0.285 nan 8.290 nan 0.000 0.541 626 F N 0.005 119.780 119.950 -0.292 0.000 2.574 626 F HA 0.602 5.129 4.527 -0.001 0.000 0.313 626 F C -1.256 174.348 175.800 -0.327 0.000 1.130 626 F CA -1.177 56.605 58.000 -0.362 0.000 0.936 626 F CB 2.137 40.842 39.000 -0.492 0.000 1.219 626 F HN 0.010 nan 8.300 nan 0.000 0.445 627 E N 5.676 125.397 120.200 -0.798 0.000 2.311 627 E HA 0.204 4.553 4.350 -0.001 0.000 0.281 627 E C -1.804 174.500 176.600 -0.494 0.000 0.905 627 E CA -0.658 55.480 56.400 -0.436 0.000 0.778 627 E CB 1.043 30.613 29.700 -0.216 0.000 1.240 627 E HN 0.708 nan 8.360 nan 0.000 0.410 628 W N 4.824 126.039 121.300 -0.143 0.000 2.257 628 W HA 0.071 4.731 4.660 -0.001 0.000 0.337 628 W C 0.969 177.478 176.519 -0.017 0.000 1.321 628 W CA -0.317 57.025 57.345 -0.005 0.000 1.267 628 W CB 0.598 30.149 29.460 0.152 0.000 1.187 628 W HN 0.608 nan 8.180 nan 0.000 0.565 629 L N 2.863 124.266 121.223 0.301 0.000 2.467 629 L HA 0.174 4.513 4.340 -0.001 0.000 0.213 629 L C 0.145 177.035 176.870 0.033 0.000 1.053 629 L CA 0.291 55.212 54.840 0.134 0.000 0.847 629 L CB -0.211 41.891 42.059 0.073 0.000 1.075 629 L HN 0.108 nan 8.230 nan 0.000 0.479 630 V N 0.356 120.325 119.914 0.093 0.000 2.439 630 V HA 0.160 4.280 4.120 -0.001 0.000 0.277 630 V C 0.338 176.473 176.094 0.068 0.000 1.008 630 V CA -0.122 62.184 62.300 0.009 0.000 0.846 630 V CB 2.224 34.021 31.823 -0.043 0.000 1.031 630 V HN -0.079 nan 8.190 nan 0.000 0.441 631 V N 2.991 122.850 119.914 -0.091 0.000 3.660 631 V HA 0.150 4.270 4.120 -0.001 0.000 0.276 631 V C 1.145 177.161 176.094 -0.130 0.000 1.317 631 V CA 1.417 63.431 62.300 -0.476 0.000 1.097 631 V CB 0.471 31.785 31.823 -0.848 0.000 0.863 631 V HN 1.010 nan 8.190 nan 0.000 0.438 632 D N -1.360 119.027 120.400 -0.022 0.000 2.599 632 D HA 0.078 4.717 4.640 -0.001 0.000 0.249 632 D C 0.168 176.406 176.300 -0.104 0.000 1.313 632 D CA -0.241 53.718 54.000 -0.068 0.000 0.815 632 D CB -0.074 40.706 40.800 -0.033 0.000 1.077 632 D HN 0.319 nan 8.370 nan 0.000 0.492 633 D N 1.661 122.046 120.400 -0.026 0.000 2.558 633 D HA 0.092 4.732 4.640 -0.001 0.000 0.221 633 D C 0.999 177.198 176.300 -0.169 0.000 1.143 633 D CA -0.086 53.915 54.000 0.001 0.000 1.010 633 D CB 0.589 41.502 40.800 0.188 0.000 1.068 633 D HN 0.088 nan 8.370 nan 0.000 0.511 634 K N 1.073 121.242 120.400 -0.385 0.000 2.062 634 K HA -0.075 4.244 4.320 -0.001 0.000 0.205 634 K C 1.598 178.092 176.600 -0.178 0.000 1.051 634 K CA 0.559 56.556 56.287 -0.483 0.000 0.941 634 K CB 0.290 32.531 32.500 -0.432 0.000 0.719 634 K HN 0.260 nan 8.250 nan 0.000 0.440 635 E N 1.036 121.163 120.200 -0.122 0.000 2.130 635 E HA -0.198 4.152 4.350 -0.001 0.000 0.196 635 E C 1.764 178.343 176.600 -0.036 0.000 0.998 635 E CA 1.375 57.723 56.400 -0.086 0.000 0.806 635 E CB -0.046 29.625 29.700 -0.049 0.000 0.738 635 E HN 0.322 nan 8.360 nan 0.000 0.459 636 R N -0.221 120.294 120.500 0.025 0.000 2.362 636 R HA 0.154 4.493 4.340 -0.001 0.000 0.227 636 R C 0.293 176.652 176.300 0.099 0.000 0.905 636 R CA 0.111 56.252 56.100 0.068 0.000 1.067 636 R CB 0.505 30.881 30.300 0.127 0.000 1.078 636 R HN -0.115 nan 8.270 nan 0.000 0.516 637 S N 0.485 116.269 115.700 0.140 0.000 3.631 637 S HA -0.103 4.366 4.470 -0.001 0.000 0.366 637 S C -0.248 174.506 174.600 0.256 0.000 0.993 637 S CA 0.481 58.845 58.200 0.274 0.000 1.167 637 S CB -1.065 62.300 63.200 0.275 0.000 0.909 637 S HN 0.125 nan 8.310 nan 0.000 0.478 638 V N 1.724 121.758 119.914 0.199 0.000 2.459 638 V HA 0.665 4.785 4.120 -0.001 0.000 0.295 638 V C 0.026 176.229 176.094 0.181 0.000 1.029 638 V CA -0.573 61.773 62.300 0.077 0.000 0.874 638 V CB 1.773 33.500 31.823 -0.160 0.000 0.985 638 V HN 0.372 nan 8.190 nan 0.000 0.438 639 L N 6.334 127.678 121.223 0.202 0.000 2.410 639 L HA 0.684 5.024 4.340 -0.001 0.000 0.270 639 L C -0.722 176.377 176.870 0.381 0.000 0.983 639 L CA -0.022 55.045 54.840 0.378 0.000 0.822 639 L CB 2.006 44.387 42.059 0.537 0.000 1.285 639 L HN 0.457 nan 8.230 nan 0.000 0.409 640 I N 3.303 124.093 120.570 0.367 0.000 2.569 640 I HA 0.606 4.776 4.170 -0.001 0.000 0.290 640 I C -1.045 175.236 176.117 0.273 0.000 1.088 640 I CA -0.547 60.802 61.300 0.083 0.000 1.047 640 I CB 1.926 39.712 38.000 -0.357 0.000 1.237 640 I HN 0.512 nan 8.210 nan 0.000 0.421 641 F N 4.251 124.167 119.950 -0.056 0.000 2.715 641 F HA 0.857 5.384 4.527 -0.001 0.000 0.318 641 F C -1.767 173.785 175.800 -0.414 0.000 1.141 641 F CA -1.121 56.678 58.000 -0.335 0.000 0.950 641 F CB 1.103 39.594 39.000 -0.847 0.000 1.374 641 F HN 0.061 nan 8.300 nan 0.000 0.477 642 V N 1.998 121.739 119.914 -0.289 0.000 2.769 642 V HA 0.668 4.788 4.120 -0.001 0.000 0.312 642 V C -0.714 175.212 176.094 -0.281 0.000 1.061 642 V CA -0.767 61.364 62.300 -0.281 0.000 0.931 642 V CB 2.029 33.726 31.823 -0.211 0.000 1.010 642 V HN 0.719 nan 8.190 nan 0.000 0.433 643 R N 3.528 123.894 120.500 -0.222 0.000 2.589 643 R HA 0.665 5.005 4.340 -0.001 0.000 0.293 643 R C -0.675 175.508 176.300 -0.195 0.000 0.963 643 R CA -0.695 55.285 56.100 -0.200 0.000 0.905 643 R CB 1.979 32.175 30.300 -0.173 0.000 1.144 643 R HN 0.618 nan 8.270 nan 0.000 0.459 644 R N 0.871 121.251 120.500 -0.199 0.000 2.686 644 R HA 0.229 4.568 4.340 -0.001 0.000 0.283 644 R C -0.592 175.647 176.300 -0.101 0.000 0.978 644 R CA -0.785 55.211 56.100 -0.173 0.000 0.897 644 R CB 1.897 32.002 30.300 -0.326 0.000 1.192 644 R HN 0.685 nan 8.270 nan 0.000 0.457 645 D N 0.757 121.122 120.400 -0.058 0.000 2.509 645 D HA 0.130 4.770 4.640 -0.001 0.000 0.268 645 D C 0.435 176.773 176.300 0.063 0.000 1.180 645 D CA -0.589 53.387 54.000 -0.039 0.000 1.055 645 D CB 0.762 41.513 40.800 -0.082 0.000 1.126 645 D HN 0.238 nan 8.370 nan 0.000 0.580 646 K N -0.862 119.557 120.400 0.031 0.000 2.280 646 K HA -0.082 4.238 4.320 -0.001 0.000 0.202 646 K C 0.967 177.582 176.600 0.025 0.000 1.047 646 K CA 0.934 57.242 56.287 0.034 0.000 0.942 646 K CB 0.022 32.520 32.500 -0.004 0.000 0.739 646 K HN 0.409 nan 8.250 nan 0.000 0.457 647 E N -0.274 119.939 120.200 0.022 0.000 2.476 647 E HA 0.024 4.374 4.350 -0.001 0.000 0.191 647 E C 0.955 177.584 176.600 0.049 0.000 1.064 647 E CA 0.416 56.825 56.400 0.015 0.000 0.866 647 E CB 0.619 30.314 29.700 -0.007 0.000 0.952 647 E HN 0.474 nan 8.360 nan 0.000 0.492 648 G N 2.163 111.032 108.800 0.116 0.000 2.148 648 G HA2 -0.255 3.705 3.960 -0.001 0.000 0.254 648 G HA3 -0.255 3.705 3.960 -0.001 0.000 0.254 648 G C 0.152 175.081 174.900 0.048 0.000 0.981 648 G CA -0.041 45.148 45.100 0.150 0.000 0.670 648 G HN 0.183 nan 8.290 nan 0.000 0.528 649 N N 1.346 120.053 118.700 0.011 0.000 2.458 649 N HA 0.293 5.032 4.740 -0.001 0.000 0.258 649 N C 0.286 175.779 175.510 -0.028 0.000 1.219 649 N CA 0.668 53.705 53.050 -0.022 0.000 0.902 649 N CB 0.566 39.033 38.487 -0.034 0.000 1.076 649 N HN 0.637 nan 8.380 nan 0.000 0.455 650 E N 1.012 121.210 120.200 -0.003 0.000 2.212 650 E HA 0.524 4.874 4.350 -0.001 0.000 0.268 650 E C -0.261 176.380 176.600 0.068 0.000 0.902 650 E CA -0.792 55.621 56.400 0.022 0.000 0.779 650 E CB 2.323 32.080 29.700 0.094 0.000 1.172 650 E HN 0.549 nan 8.360 nan 0.000 0.409 651 I N 0.160 120.723 120.570 -0.013 0.000 2.569 651 I HA 0.498 4.668 4.170 -0.001 0.000 0.296 651 I C -1.192 174.875 176.117 -0.083 0.000 1.028 651 I CA -0.839 60.470 61.300 0.016 0.000 1.082 651 I CB 1.215 39.146 38.000 -0.115 0.000 1.264 651 I HN 0.478 nan 8.210 nan 0.000 0.429 652 I N 6.799 127.362 120.570 -0.012 0.000 2.342 652 I HA 0.362 4.532 4.170 -0.001 0.000 0.291 652 I C -0.622 175.341 176.117 -0.256 0.000 1.010 652 I CA -0.803 60.392 61.300 -0.176 0.000 1.308 652 I CB 1.657 39.559 38.000 -0.164 0.000 1.400 652 I HN 0.359 nan 8.210 nan 0.000 0.488 653 V N 6.142 125.733 119.914 -0.539 0.000 2.409 653 V HA 0.680 4.800 4.120 -0.001 0.000 0.291 653 V C 0.046 175.865 176.094 -0.459 0.000 1.020 653 V CA -0.484 61.466 62.300 -0.583 0.000 0.848 653 V CB 1.396 32.501 31.823 -1.196 0.000 0.990 653 V HN 0.821 nan 8.190 nan 0.000 0.430 654 A N 3.873 126.590 122.820 -0.172 0.000 2.343 654 A HA 0.866 5.186 4.320 -0.001 0.000 0.308 654 A C -0.225 177.332 177.584 -0.045 0.000 1.092 654 A CA -0.435 51.505 52.037 -0.162 0.000 0.751 654 A CB 1.469 20.299 19.000 -0.283 0.000 1.203 654 A HN 0.694 nan 8.150 nan 0.000 0.452 655 S N 1.317 117.018 115.700 0.003 0.000 2.568 655 S HA 0.581 5.051 4.470 -0.001 0.000 0.302 655 S C -0.324 174.084 174.600 -0.321 0.000 1.082 655 S CA -0.830 57.269 58.200 -0.168 0.000 1.009 655 S CB 1.472 64.564 63.200 -0.179 0.000 1.069 655 S HN 0.776 nan 8.310 nan 0.000 0.500 656 N N 0.723 119.140 118.700 -0.472 0.000 2.540 656 N HA 0.352 5.092 4.740 -0.001 0.000 0.275 656 N C -1.343 173.968 175.510 -0.331 0.000 1.053 656 N CA -0.358 52.514 53.050 -0.297 0.000 0.876 656 N CB 0.527 38.902 38.487 -0.186 0.000 1.284 656 N HN 0.523 nan 8.380 nan 0.000 0.518 657 F N 1.564 121.533 119.950 0.031 0.000 2.668 657 F HA 0.243 4.770 4.527 -0.001 0.000 0.297 657 F C 0.623 176.429 175.800 0.009 0.000 1.124 657 F CA -0.023 57.999 58.000 0.037 0.000 1.353 657 F CB 1.104 40.164 39.000 0.102 0.000 0.992 657 F HN 0.266 nan 8.300 nan 0.000 0.524 658 T N 0.793 115.420 114.554 0.121 0.000 2.908 658 T HA 0.257 4.607 4.350 -0.001 0.000 0.290 658 T C -2.032 172.711 174.700 0.071 0.000 1.034 658 T CA -1.555 60.590 62.100 0.075 0.000 1.010 658 T CB 2.006 70.904 68.868 0.051 0.000 1.068 658 T HN -0.247 nan 8.240 nan 0.000 0.481 659 P HA 0.135 nan 4.420 nan 0.000 0.249 659 P C -0.177 177.167 177.300 0.073 0.000 1.241 659 P CA 0.116 63.288 63.100 0.120 0.000 0.781 659 P CB -0.069 31.711 31.700 0.133 0.000 1.088 660 V N 2.716 122.654 119.914 0.041 0.000 2.368 660 V HA 0.218 4.337 4.120 -0.001 0.000 0.266 660 V C -2.084 174.004 176.094 -0.010 0.000 1.045 660 V CA -1.945 60.365 62.300 0.017 0.000 0.899 660 V CB 0.622 32.454 31.823 0.015 0.000 1.006 660 V HN -0.006 nan 8.190 nan 0.000 0.470 661 P HA 0.237 nan 4.420 nan 0.000 0.269 661 P C -0.546 176.611 177.300 -0.238 0.000 1.209 661 P CA -0.215 62.806 63.100 -0.131 0.000 0.776 661 P CB 0.503 32.124 31.700 -0.130 0.000 0.876 662 R N 2.401 122.726 120.500 -0.291 0.000 2.439 662 R HA 0.436 4.776 4.340 -0.001 0.000 0.310 662 R C -0.236 175.914 176.300 -0.250 0.000 0.955 662 R CA -0.477 55.518 56.100 -0.175 0.000 0.853 662 R CB 1.060 31.369 30.300 0.015 0.000 1.171 662 R HN 0.649 nan 8.270 nan 0.000 0.449 663 H N 1.489 120.640 119.070 0.135 0.000 2.529 663 H HA 0.207 4.762 4.556 -0.001 0.000 0.348 663 H C -0.163 175.248 175.328 0.139 0.000 1.152 663 H CA -0.421 55.700 56.048 0.122 0.000 1.202 663 H CB 1.572 31.383 29.762 0.083 0.000 1.562 663 H HN 0.503 nan 8.280 nan 0.000 0.515 664 D N 0.791 121.349 120.400 0.263 0.000 2.723 664 D HA -0.278 4.361 4.640 -0.001 0.000 0.236 664 D C -0.401 176.008 176.300 0.182 0.000 1.138 664 D CA 0.678 54.787 54.000 0.182 0.000 0.676 664 D CB -1.753 39.124 40.800 0.129 0.000 1.069 664 D HN 0.490 nan 8.370 nan 0.000 0.430 665 Y N 1.379 121.765 120.300 0.143 0.000 2.539 665 Y HA 0.207 4.757 4.550 -0.001 0.000 0.352 665 Y C 0.836 176.890 175.900 0.256 0.000 1.004 665 Y CA -0.345 57.859 58.100 0.174 0.000 1.278 665 Y CB 0.425 38.976 38.460 0.151 0.000 1.136 665 Y HN -0.023 nan 8.280 nan 0.000 0.528 666 R N 7.237 127.768 120.500 0.052 0.000 2.346 666 R HA 0.511 4.850 4.340 -0.001 0.000 0.311 666 R C -1.684 174.789 176.300 0.289 0.000 0.983 666 R CA -0.463 55.708 56.100 0.117 0.000 0.880 666 R CB 0.527 30.829 30.300 0.004 0.000 1.100 666 R HN 0.653 nan 8.270 nan 0.000 0.453 667 F N 0.428 120.463 119.950 0.143 0.000 2.631 667 F HA 0.620 5.147 4.527 -0.000 0.000 0.308 667 F C -0.198 175.672 175.800 0.117 0.000 1.097 667 F CA -1.304 56.811 58.000 0.192 0.000 0.952 667 F CB 0.907 39.962 39.000 0.091 0.000 1.307 667 F HN 0.542 nan 8.300 nan 0.000 0.450 668 G N 1.636 110.605 108.800 0.281 0.000 2.483 668 G HA2 0.513 4.473 3.960 -0.001 0.000 0.248 668 G HA3 0.513 4.473 3.960 -0.001 0.000 0.248 668 G C -0.694 174.232 174.900 0.042 0.000 1.248 668 G CA -0.505 44.664 45.100 0.115 0.000 0.838 668 G HN 1.008 nan 8.290 nan 0.000 0.566 669 I N -1.521 119.026 120.570 -0.039 0.000 3.322 669 I HA 0.549 4.718 4.170 -0.001 0.000 0.313 669 I C 0.024 176.153 176.117 0.019 0.000 1.129 669 I CA -1.450 59.809 61.300 -0.069 0.000 0.963 669 I CB 2.222 40.050 38.000 -0.287 0.000 1.273 669 I HN 0.260 nan 8.210 nan 0.000 0.473 670 N N -0.068 118.651 118.700 0.031 0.000 2.294 670 N HA 0.124 4.864 4.740 -0.001 0.000 0.186 670 N C -0.555 175.009 175.510 0.092 0.000 1.107 670 N CA 0.368 53.460 53.050 0.070 0.000 0.884 670 N CB 0.421 38.939 38.487 0.052 0.000 1.030 670 N HN 0.598 nan 8.380 nan 0.000 0.482 671 Q N 1.320 121.210 119.800 0.149 0.000 2.347 671 Q HA 0.365 4.705 4.340 -0.001 0.000 0.265 671 Q C -2.585 173.515 176.000 0.167 0.000 1.024 671 Q CA -1.743 54.155 55.803 0.158 0.000 0.731 671 Q CB 2.729 31.603 28.738 0.228 0.000 1.245 671 Q HN 0.079 nan 8.270 nan 0.000 0.472 672 P HA 0.360 nan 4.420 nan 0.000 0.272 672 P C 0.268 177.511 177.300 -0.094 0.000 1.240 672 P CA 0.425 63.401 63.100 -0.206 0.000 0.791 672 P CB 1.225 32.495 31.700 -0.717 0.000 0.978 673 G N 0.606 109.291 108.800 -0.192 0.000 2.250 673 G HA2 -0.032 3.928 3.960 -0.001 0.000 0.252 673 G HA3 -0.032 3.928 3.960 -0.001 0.000 0.252 673 G C -1.510 173.158 174.900 -0.387 0.000 1.325 673 G CA -0.730 44.171 45.100 -0.332 0.000 1.091 673 G HN 0.510 nan 8.290 nan 0.000 0.476 674 K N -0.037 120.193 120.400 -0.283 0.000 2.240 674 K HA 0.509 4.828 4.320 -0.001 0.000 0.271 674 K C -1.384 175.075 176.600 -0.234 0.000 1.018 674 K CA -0.237 55.982 56.287 -0.113 0.000 0.874 674 K CB 1.485 33.985 32.500 0.000 0.000 1.098 674 K HN 0.392 nan 8.250 nan 0.000 0.458 675 W N 2.439 123.712 121.300 -0.044 0.000 2.666 675 W HA 0.447 5.107 4.660 -0.001 0.000 0.334 675 W C 0.024 176.554 176.519 0.018 0.000 1.051 675 W CA -0.738 56.597 57.345 -0.016 0.000 1.224 675 W CB 1.414 30.861 29.460 -0.021 0.000 1.405 675 W HN 0.459 nan 8.180 nan 0.000 0.513 676 R N 1.459 122.096 120.500 0.229 0.000 2.673 676 R HA 0.419 4.759 4.340 -0.001 0.000 0.281 676 R C -0.883 175.515 176.300 0.164 0.000 0.991 676 R CA -0.761 55.432 56.100 0.156 0.000 0.896 676 R CB 1.587 31.939 30.300 0.087 0.000 1.201 676 R HN 0.560 nan 8.270 nan 0.000 0.457 677 E N 3.614 123.898 120.200 0.140 0.000 2.376 677 E HA 0.041 4.391 4.350 -0.001 0.000 0.266 677 E C 0.686 177.352 176.600 0.110 0.000 1.009 677 E CA 0.221 56.700 56.400 0.131 0.000 0.902 677 E CB 0.778 30.539 29.700 0.102 0.000 0.972 677 E HN 0.619 nan 8.360 nan 0.000 0.439 678 I N 0.865 121.514 120.570 0.132 0.000 4.035 678 I HA 0.290 4.460 4.170 -0.001 0.000 0.321 678 I C -0.014 176.151 176.117 0.079 0.000 1.289 678 I CA -0.109 61.263 61.300 0.120 0.000 1.236 678 I CB 0.525 38.615 38.000 0.150 0.000 1.076 678 I HN 0.239 nan 8.210 nan 0.000 0.418 679 L N 1.297 122.542 121.223 0.037 0.000 2.513 679 L HA 0.524 4.864 4.340 -0.001 0.000 0.261 679 L C -1.736 175.077 176.870 -0.094 0.000 0.945 679 L CA -0.232 54.528 54.840 -0.133 0.000 0.848 679 L CB 2.215 43.938 42.059 -0.561 0.000 1.334 679 L HN 0.249 nan 8.230 nan 0.000 0.407 680 N N 1.285 119.970 118.700 -0.024 0.000 2.599 680 N HA 0.164 4.904 4.740 -0.001 0.000 0.283 680 N C 0.398 175.982 175.510 0.123 0.000 1.160 680 N CA 0.300 53.372 53.050 0.036 0.000 0.869 680 N CB 1.431 39.959 38.487 0.068 0.000 1.448 680 N HN 0.780 nan 8.380 nan 0.000 0.535 681 T N -0.412 114.157 114.554 0.025 0.000 3.007 681 T HA -0.119 4.231 4.350 -0.001 0.000 0.270 681 T C 0.968 175.772 174.700 0.173 0.000 1.107 681 T CA 1.127 63.243 62.100 0.027 0.000 1.118 681 T CB -0.107 68.707 68.868 -0.089 0.000 0.889 681 T HN 0.437 nan 8.240 nan 0.000 0.506 682 D N 1.498 121.996 120.400 0.164 0.000 2.319 682 D HA 0.164 4.803 4.640 -0.001 0.000 0.230 682 D C 0.586 177.012 176.300 0.209 0.000 1.094 682 D CA -0.109 54.014 54.000 0.204 0.000 0.856 682 D CB -0.140 40.775 40.800 0.191 0.000 0.915 682 D HN 0.444 nan 8.370 nan 0.000 0.517 683 S N -0.029 115.787 115.700 0.194 0.000 2.568 683 S HA -0.023 4.446 4.470 -0.001 0.000 0.282 683 S C 1.633 176.232 174.600 -0.002 0.000 1.338 683 S CA -0.492 57.727 58.200 0.030 0.000 1.045 683 S CB 0.505 63.608 63.200 -0.162 0.000 0.873 683 S HN 0.341 nan 8.310 nan 0.000 0.516 684 M N 2.873 122.459 119.600 -0.023 0.000 2.460 684 M HA -0.011 4.468 4.480 -0.001 0.000 0.263 684 M C 1.520 177.721 176.300 -0.164 0.000 1.071 684 M CA 1.641 56.922 55.300 -0.031 0.000 1.096 684 M CB -0.619 31.976 32.600 -0.008 0.000 1.408 684 M HN 0.877 nan 8.290 nan 0.000 0.463 685 H N 0.583 119.417 119.070 -0.394 0.000 2.489 685 H HA -0.100 4.455 4.556 -0.001 0.000 0.293 685 H C 0.150 175.173 175.328 -0.509 0.000 1.066 685 H CA 1.578 57.317 56.048 -0.516 0.000 1.305 685 H CB -0.061 29.305 29.762 -0.661 0.000 1.386 685 H HN 0.611 nan 8.280 nan 0.000 0.551 686 Y N -1.486 118.730 120.300 -0.139 0.000 2.555 686 Y HA 0.205 4.755 4.550 -0.001 0.000 0.259 686 Y C 0.287 176.181 175.900 -0.010 0.000 1.179 686 Y CA -0.052 57.978 58.100 -0.117 0.000 1.230 686 Y CB -0.637 37.812 38.460 -0.017 0.000 1.146 686 Y HN 0.263 nan 8.280 nan 0.000 0.526 687 H N -2.136 117.006 119.070 0.121 0.000 3.080 687 H HA -0.154 4.402 4.556 -0.001 0.000 0.254 687 H C 1.433 176.972 175.328 0.351 0.000 1.179 687 H CA 0.314 56.449 56.048 0.144 0.000 1.144 687 H CB -1.160 28.602 29.762 -0.000 0.000 1.261 687 H HN 0.546 nan 8.280 nan 0.000 0.333 688 G N -0.299 108.730 108.800 0.381 0.000 2.553 688 G HA2 0.295 4.255 3.960 -0.001 0.000 0.278 688 G HA3 0.295 4.255 3.960 -0.001 0.000 0.278 688 G C 1.129 176.339 174.900 0.517 0.000 1.349 688 G CA 0.007 45.403 45.100 0.493 0.000 1.037 688 G HN 0.451 nan 8.290 nan 0.000 0.508 689 S N -1.883 114.128 115.700 0.517 0.000 2.548 689 S HA 0.044 4.514 4.470 -0.001 0.000 0.215 689 S C 1.070 175.770 174.600 0.167 0.000 0.976 689 S CA 0.827 59.196 58.200 0.281 0.000 0.908 689 S CB -0.264 63.031 63.200 0.158 0.000 0.781 689 S HN 0.854 nan 8.310 nan 0.000 0.519 690 N N 0.260 119.062 118.700 0.169 0.000 2.882 690 N HA -0.157 4.582 4.740 -0.001 0.000 0.249 690 N C 0.094 175.660 175.510 0.094 0.000 1.079 690 N CA 0.292 53.404 53.050 0.103 0.000 0.800 690 N CB -1.521 37.005 38.487 0.065 0.000 1.124 690 N HN 0.693 nan 8.380 nan 0.000 0.557 691 A N 0.167 123.057 122.820 0.117 0.000 2.313 691 A HA 0.747 5.067 4.320 -0.001 0.000 0.261 691 A C 1.083 178.729 177.584 0.104 0.000 1.090 691 A CA 0.963 53.068 52.037 0.114 0.000 0.807 691 A CB 0.930 20.005 19.000 0.125 0.000 1.055 691 A HN 0.755 nan 8.150 nan 0.000 0.492 692 G N -0.110 108.756 108.800 0.109 0.000 2.352 692 G HA2 0.307 4.266 3.960 -0.001 0.000 0.283 692 G HA3 0.307 4.266 3.960 -0.001 0.000 0.283 692 G C -1.455 173.509 174.900 0.107 0.000 1.308 692 G CA -0.732 44.428 45.100 0.100 0.000 0.892 692 G HN 0.876 nan 8.290 nan 0.000 0.504 693 N N 0.217 118.976 118.700 0.100 0.000 2.424 693 N HA 0.489 5.229 4.740 -0.001 0.000 0.271 693 N C 1.308 176.867 175.510 0.082 0.000 0.985 693 N CA 0.116 53.227 53.050 0.101 0.000 0.921 693 N CB 1.952 40.508 38.487 0.114 0.000 1.149 693 N HN 0.869 nan 8.380 nan 0.000 0.492 694 G N 1.966 110.808 108.800 0.071 0.000 2.719 694 G HA2 -0.067 3.893 3.960 -0.001 0.000 0.219 694 G HA3 -0.067 3.893 3.960 -0.001 0.000 0.219 694 G C 0.426 175.357 174.900 0.051 0.000 1.234 694 G CA 1.018 46.151 45.100 0.054 0.000 0.788 694 G HN 0.723 nan 8.290 nan 0.000 0.619 695 G N -2.400 106.434 108.800 0.057 0.000 1.980 695 G HA2 0.543 4.503 3.960 -0.001 0.000 0.298 695 G HA3 0.543 4.503 3.960 -0.001 0.000 0.298 695 G C -0.616 174.327 174.900 0.071 0.000 1.505 695 G CA 0.422 45.558 45.100 0.060 0.000 1.158 695 G HN 1.002 nan 8.290 nan 0.000 0.557 696 T N -0.553 114.057 114.554 0.094 0.000 1.903 696 T HA -0.133 4.217 4.350 -0.001 0.000 0.615 696 T C -0.225 174.552 174.700 0.129 0.000 0.914 696 T CA -0.192 61.974 62.100 0.109 0.000 3.257 696 T CB -1.162 67.757 68.868 0.084 0.000 1.946 696 T HN 1.219 nan 8.240 nan 0.000 0.490 697 V N 5.126 125.137 119.914 0.162 0.000 2.417 697 V HA 0.447 4.567 4.120 -0.001 0.000 0.291 697 V C 0.628 176.845 176.094 0.205 0.000 1.024 697 V CA -0.809 61.589 62.300 0.164 0.000 0.861 697 V CB 1.746 33.651 31.823 0.137 0.000 0.985 697 V HN 0.810 nan 8.190 nan 0.000 0.436 698 H N 3.074 122.211 119.070 0.112 0.000 2.582 698 H HA 0.294 4.850 4.556 -0.001 0.000 0.345 698 H C 0.539 175.933 175.328 0.110 0.000 1.104 698 H CA -0.015 56.106 56.048 0.122 0.000 1.390 698 H CB 1.682 31.491 29.762 0.079 0.000 1.461 698 H HN 0.823 nan 8.280 nan 0.000 0.551 699 S N 3.922 119.530 115.700 -0.153 0.000 2.580 699 S HA 0.067 4.537 4.470 -0.001 0.000 0.266 699 S C -0.200 174.494 174.600 0.156 0.000 1.354 699 S CA -0.620 57.561 58.200 -0.032 0.000 1.008 699 S CB 1.021 64.182 63.200 -0.065 0.000 0.898 699 S HN 0.600 nan 8.310 nan 0.000 0.555 700 D N 0.109 120.580 120.400 0.118 0.000 2.457 700 D HA 0.250 4.889 4.640 -0.001 0.000 0.240 700 D C -0.769 175.621 176.300 0.150 0.000 1.041 700 D CA -0.454 53.632 54.000 0.142 0.000 0.861 700 D CB 1.499 42.339 40.800 0.066 0.000 1.394 700 D HN 0.788 nan 8.370 nan 0.000 0.473 701 E N 1.572 121.843 120.200 0.118 0.000 1.979 701 E HA 0.246 4.596 4.350 -0.001 0.000 0.285 701 E C -0.701 175.848 176.600 -0.084 0.000 1.188 701 E CA -0.038 56.323 56.400 -0.064 0.000 1.214 701 E CB -0.196 29.461 29.700 -0.072 0.000 1.210 701 E HN 0.309 nan 8.360 nan 0.000 0.477 702 I N 2.629 123.156 120.570 -0.072 0.000 2.497 702 I HA 0.292 4.462 4.170 -0.001 0.000 0.284 702 I C 0.121 176.203 176.117 -0.060 0.000 1.060 702 I CA -0.821 60.446 61.300 -0.055 0.000 1.071 702 I CB 1.678 39.661 38.000 -0.027 0.000 1.216 702 I HN 0.309 nan 8.210 nan 0.000 0.442 703 A N 4.414 127.195 122.820 -0.064 0.000 2.555 703 A HA 0.466 4.785 4.320 -0.001 0.000 0.233 703 A C 0.210 177.780 177.584 -0.024 0.000 1.060 703 A CA 0.482 52.492 52.037 -0.045 0.000 0.759 703 A CB 0.446 19.422 19.000 -0.040 0.000 0.995 703 A HN 0.669 nan 8.150 nan 0.000 0.506 704 S N 0.325 116.031 115.700 0.011 0.000 2.560 704 S HA 0.464 4.933 4.470 -0.001 0.000 0.283 704 S C -0.377 174.303 174.600 0.134 0.000 1.141 704 S CA -0.471 57.743 58.200 0.024 0.000 0.902 704 S CB 0.298 63.550 63.200 0.087 0.000 1.104 704 S HN 1.104 nan 8.310 nan 0.000 0.454 705 H N 2.365 121.461 119.070 0.043 0.000 2.713 705 H HA -0.208 4.347 4.556 -0.001 0.000 0.311 705 H C 1.229 176.593 175.328 0.060 0.000 1.175 705 H CA 1.568 57.656 56.048 0.065 0.000 1.143 705 H CB -1.504 28.323 29.762 0.109 0.000 1.434 705 H HN 1.790 nan 8.280 nan 0.000 0.418 706 G N -0.137 108.724 108.800 0.102 0.000 2.162 706 G HA2 -0.340 3.620 3.960 -0.001 0.000 0.260 706 G HA3 -0.340 3.620 3.960 -0.001 0.000 0.260 706 G C 0.352 175.300 174.900 0.079 0.000 0.976 706 G CA 0.684 45.833 45.100 0.082 0.000 0.655 706 G HN 0.580 nan 8.290 nan 0.000 0.533 707 R N -0.653 119.900 120.500 0.088 0.000 2.711 707 R HA 0.552 4.892 4.340 -0.001 0.000 0.284 707 R C 1.219 177.543 176.300 0.040 0.000 0.968 707 R CA -0.501 55.645 56.100 0.078 0.000 0.924 707 R CB 1.065 31.426 30.300 0.102 0.000 1.162 707 R HN 0.186 nan 8.270 nan 0.000 0.465 708 Q N 0.655 120.475 119.800 0.033 0.000 2.030 708 Q HA -0.148 4.191 4.340 -0.001 0.000 0.204 708 Q C -0.200 175.677 176.000 -0.205 0.000 0.986 708 Q CA 1.722 57.478 55.803 -0.078 0.000 0.843 708 Q CB 0.141 28.848 28.738 -0.051 0.000 0.904 708 Q HN 0.479 nan 8.270 nan 0.000 0.420 709 H N -1.504 117.568 119.070 0.004 0.000 2.651 709 H HA 0.442 4.998 4.556 -0.001 0.000 0.353 709 H C -0.697 174.589 175.328 -0.070 0.000 1.178 709 H CA -0.246 55.790 56.048 -0.019 0.000 1.224 709 H CB 1.971 31.728 29.762 -0.008 0.000 1.702 709 H HN 0.148 nan 8.280 nan 0.000 0.550 710 S N 0.510 116.217 115.700 0.011 0.000 2.638 710 S HA 0.664 5.134 4.470 -0.001 0.000 0.274 710 S C -1.452 172.977 174.600 -0.285 0.000 1.157 710 S CA -1.030 57.065 58.200 -0.174 0.000 0.826 710 S CB 1.359 64.485 63.200 -0.124 0.000 1.139 710 S HN 0.419 nan 8.310 nan 0.000 0.474 711 L N 1.086 121.959 121.223 -0.583 0.000 2.354 711 L HA 0.748 5.087 4.340 -0.001 0.000 0.269 711 L C -0.435 176.220 176.870 -0.357 0.000 1.005 711 L CA -0.624 53.914 54.840 -0.503 0.000 0.819 711 L CB 2.303 43.926 42.059 -0.726 0.000 1.311 711 L HN 0.831 nan 8.230 nan 0.000 0.423 712 S N 3.100 118.736 115.700 -0.106 0.000 2.669 712 S HA 0.672 5.141 4.470 -0.001 0.000 0.315 712 S C -0.811 173.864 174.600 0.124 0.000 1.106 712 S CA -0.507 57.717 58.200 0.040 0.000 1.107 712 S CB 0.183 63.409 63.200 0.043 0.000 0.990 712 S HN 0.410 nan 8.310 nan 0.000 0.471 713 L N 2.683 124.047 121.223 0.235 0.000 2.303 713 L HA 0.594 4.934 4.340 -0.001 0.000 0.266 713 L C 0.340 177.347 176.870 0.230 0.000 1.011 713 L CA -1.002 53.977 54.840 0.230 0.000 0.818 713 L CB 2.110 44.338 42.059 0.283 0.000 1.326 713 L HN 0.384 nan 8.230 nan 0.000 0.435 714 T N 2.565 117.233 114.554 0.190 0.000 2.817 714 T HA 0.475 4.825 4.350 -0.001 0.000 0.293 714 T C -0.237 174.507 174.700 0.074 0.000 0.964 714 T CA -0.255 61.940 62.100 0.158 0.000 1.085 714 T CB 0.308 69.302 68.868 0.210 0.000 0.921 714 T HN 0.216 nan 8.240 nan 0.000 0.502 715 L N 6.473 127.690 121.223 -0.010 0.000 2.294 715 L HA 0.380 4.720 4.340 -0.001 0.000 0.283 715 L C -2.275 174.557 176.870 -0.063 0.000 1.015 715 L CA -2.340 52.461 54.840 -0.065 0.000 0.831 715 L CB 1.324 43.278 42.059 -0.175 0.000 1.217 715 L HN 0.327 nan 8.230 nan 0.000 0.420 716 P HA 0.095 nan 4.420 nan 0.000 0.270 716 P C -2.476 174.841 177.300 0.027 0.000 1.223 716 P CA -1.059 62.059 63.100 0.031 0.000 0.785 716 P CB -0.135 31.609 31.700 0.075 0.000 0.923 717 P HA 0.086 nan 4.420 nan 0.000 0.276 717 P C -0.063 177.329 177.300 0.154 0.000 1.230 717 P CA 0.091 63.267 63.100 0.126 0.000 0.776 717 P CB 0.305 32.126 31.700 0.202 0.000 0.888 718 L N -0.070 121.191 121.223 0.063 0.000 3.887 718 L HA -0.218 4.122 4.340 -0.001 0.000 0.546 718 L C 0.222 177.053 176.870 -0.064 0.000 1.196 718 L CA 0.590 55.431 54.840 0.000 0.000 0.777 718 L CB -1.862 40.218 42.059 0.036 0.000 1.346 718 L HN 0.675 nan 8.230 nan 0.000 0.810 719 A N 0.168 122.906 122.820 -0.136 0.000 2.601 719 A HA 0.869 5.188 4.320 -0.001 0.000 0.291 719 A C -0.356 177.141 177.584 -0.146 0.000 1.075 719 A CA 0.158 52.135 52.037 -0.101 0.000 0.671 719 A CB 2.107 21.104 19.000 -0.007 0.000 1.277 719 A HN 0.239 nan 8.150 nan 0.000 0.417 720 T N 0.176 114.700 114.554 -0.051 0.000 2.876 720 T HA 0.717 5.067 4.350 -0.001 0.000 0.289 720 T C -0.604 174.122 174.700 0.043 0.000 1.014 720 T CA -0.276 61.839 62.100 0.025 0.000 0.986 720 T CB 0.495 69.476 68.868 0.188 0.000 1.021 720 T HN 1.515 nan 8.240 nan 0.000 0.458 721 I N 0.190 120.824 120.570 0.106 0.000 2.785 721 I HA 0.887 5.057 4.170 -0.001 0.000 0.302 721 I C -1.683 174.654 176.117 0.366 0.000 1.069 721 I CA -1.185 60.190 61.300 0.125 0.000 1.045 721 I CB 2.061 40.111 38.000 0.084 0.000 1.236 721 I HN 0.534 nan 8.210 nan 0.000 0.429 722 W N 4.819 126.120 121.300 0.001 0.000 2.785 722 W HA 0.714 5.373 4.660 -0.000 0.000 0.333 722 W C -1.269 175.263 176.519 0.021 0.000 1.062 722 W CA -0.949 56.385 57.345 -0.017 0.000 1.233 722 W CB 1.800 31.259 29.460 -0.002 0.000 1.413 722 W HN 0.222 nan 8.180 nan 0.000 0.489 723 L N 3.211 124.588 121.223 0.256 0.000 2.401 723 L HA 0.625 4.965 4.340 -0.001 0.000 0.266 723 L C -0.388 176.664 176.870 0.304 0.000 0.991 723 L CA -1.104 53.902 54.840 0.276 0.000 0.818 723 L CB 1.467 43.718 42.059 0.319 0.000 1.321 723 L HN 0.138 nan 8.230 nan 0.000 0.413 724 V N 3.129 123.169 119.914 0.211 0.000 2.994 724 V HA 0.574 4.694 4.120 -0.001 0.000 0.318 724 V C -0.205 175.766 176.094 -0.206 0.000 1.085 724 V CA -0.745 61.565 62.300 0.017 0.000 0.998 724 V CB 2.845 34.631 31.823 -0.063 0.000 1.063 724 V HN 0.833 nan 8.190 nan 0.000 0.447 725 R N 2.796 122.923 120.500 -0.623 0.000 2.393 725 R HA 0.460 4.800 4.340 -0.001 0.000 0.310 725 R C -0.662 175.318 176.300 -0.532 0.000 0.968 725 R CA -0.501 54.937 56.100 -1.103 0.000 0.867 725 R CB 1.199 30.517 30.300 -1.636 0.000 1.124 725 R HN 0.789 nan 8.270 nan 0.000 0.450 726 E N 2.415 122.368 120.200 -0.412 0.000 2.249 726 E HA 0.281 4.630 4.350 -0.001 0.000 0.280 726 E C -0.408 176.082 176.600 -0.183 0.000 1.016 726 E CA -0.651 55.624 56.400 -0.208 0.000 0.830 726 E CB 1.575 31.202 29.700 -0.121 0.000 1.081 726 E HN 0.639 nan 8.360 nan 0.000 0.395 727 A N 3.638 126.384 122.820 -0.122 0.000 2.466 727 A HA 0.027 4.347 4.320 -0.001 0.000 0.238 727 A C 0.466 178.011 177.584 -0.066 0.000 1.074 727 A CA -0.241 51.740 52.037 -0.093 0.000 0.774 727 A CB 0.305 19.267 19.000 -0.063 0.000 1.015 727 A HN 0.565 nan 8.150 nan 0.000 0.498 728 E N 0.000 120.168 120.200 -0.054 0.000 2.725 728 E HA 0.000 4.350 4.350 -0.001 0.000 0.291 728 E CA 0.000 56.383 56.400 -0.029 0.000 0.976 728 E CB 0.000 29.687 29.700 -0.022 0.000 0.812 728 E HN 0.000 nan 8.360 nan 0.000 0.440