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 3o7z_1_A 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 YEHSXXXXXX DATA SEQUENCE XXXXXTLIYN YGRREVSNFL VGNALYWIER FGIDALRVDA VASMIYXXXX DATA SEQUENCE XXXXXXXXXX XGGRENLEAI 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 0.000 174.649 174.700 -0.086 0.000 1.109 117 T CA 0.000 62.037 62.100 -0.106 0.000 1.349 117 T CB 0.000 68.822 68.868 -0.076 0.000 0.612 118 H N 0.382 119.419 119.070 -0.056 0.000 2.553 118 H HA 0.753 5.312 4.556 0.005 0.000 0.265 118 H C 2.051 177.376 175.328 -0.005 0.000 0.964 118 H CA 0.953 56.980 56.048 -0.036 0.000 1.156 118 H CB 0.022 29.768 29.762 -0.028 0.000 1.411 118 H HN 0.486 nan 8.280 nan 0.000 0.558 119 L N -0.918 120.302 121.223 -0.005 0.000 2.547 119 L HA 0.223 4.566 4.340 0.005 0.000 0.218 119 L C 0.704 177.614 176.870 0.068 0.000 1.048 119 L CA 0.301 55.166 54.840 0.042 0.000 0.859 119 L CB 0.516 42.597 42.059 0.037 0.000 1.128 119 L HN 0.267 nan 8.230 nan 0.000 0.483 120 R N 0.975 121.444 120.500 -0.052 0.000 2.790 120 R HA 0.204 4.548 4.340 0.005 0.000 0.274 120 R C -1.967 174.099 176.300 -0.389 0.000 1.334 120 R CA -1.357 54.587 56.100 -0.260 0.000 1.543 120 R CB 0.571 30.579 30.300 -0.486 0.000 1.154 120 R HN 0.034 nan 8.270 nan 0.000 0.601 121 P HA -0.156 nan 4.420 nan 0.000 0.233 121 P C 0.682 177.844 177.300 -0.231 0.000 1.167 121 P CA 0.826 63.851 63.100 -0.125 0.000 0.770 121 P CB 0.058 31.791 31.700 0.055 0.000 0.837 122 Y N 0.234 120.554 120.300 0.034 0.000 2.497 122 Y HA 0.090 4.644 4.550 0.005 0.000 0.292 122 Y C 1.764 177.771 175.900 0.178 0.000 1.137 122 Y CA 0.340 58.477 58.100 0.062 0.000 1.285 122 Y CB -1.619 36.975 38.460 0.223 0.000 0.991 122 Y HN -0.050 nan 8.280 nan 0.000 0.556 123 E N 0.392 120.392 120.200 -0.332 0.000 2.358 123 E HA -0.050 4.303 4.350 0.005 0.000 0.195 123 E C 1.398 177.717 176.600 -0.468 0.000 1.010 123 E CA 1.397 57.621 56.400 -0.293 0.000 0.856 123 E CB 0.065 29.531 29.700 -0.390 0.000 0.795 123 E HN 0.758 nan 8.360 nan 0.000 0.504 124 T N -2.475 111.869 114.554 -0.350 0.000 2.980 124 T HA 0.224 4.577 4.350 0.005 0.000 0.252 124 T C 0.772 175.387 174.700 -0.142 0.000 0.962 124 T CA -0.355 61.553 62.100 -0.321 0.000 0.932 124 T CB 0.148 68.889 68.868 -0.213 0.000 1.188 124 T HN -0.127 nan 8.240 nan 0.000 0.500 125 L N 1.825 122.956 121.223 -0.153 0.000 2.421 125 L HA 0.631 4.974 4.340 0.005 0.000 0.263 125 L C 1.273 178.159 176.870 0.028 0.000 1.122 125 L CA 0.508 55.254 54.840 -0.158 0.000 0.804 125 L CB 0.782 42.503 42.059 -0.563 0.000 1.150 125 L HN 0.713 nan 8.230 nan 0.000 0.457 126 G N 1.302 110.170 108.800 0.113 0.000 2.587 126 G HA2 0.014 3.977 3.960 0.005 0.000 0.212 126 G HA3 0.014 3.977 3.960 0.005 0.000 0.212 126 G C -0.860 174.103 174.900 0.105 0.000 1.327 126 G CA -0.321 44.855 45.100 0.127 0.000 0.898 126 G HN 0.975 nan 8.290 nan 0.000 0.551 127 A N 0.522 123.263 122.820 -0.131 0.000 2.249 127 A HA 0.787 5.111 4.320 0.005 0.000 0.314 127 A C -0.109 177.193 177.584 -0.469 0.000 1.290 127 A CA -0.258 51.547 52.037 -0.387 0.000 0.893 127 A CB 0.438 19.127 19.000 -0.519 0.000 1.165 127 A HN 0.910 nan 8.150 nan 0.000 0.530 128 H N 0.990 119.950 119.070 -0.183 0.000 2.821 128 H HA 0.602 5.162 4.556 0.005 0.000 0.373 128 H C -0.195 175.066 175.328 -0.111 0.000 1.165 128 H CA -0.372 55.639 56.048 -0.061 0.000 1.154 128 H CB 2.271 32.031 29.762 -0.002 0.000 1.765 128 H HN 0.788 nan 8.280 nan 0.000 0.549 129 A N 1.994 124.855 122.820 0.069 0.000 2.320 129 A HA 0.354 4.677 4.320 0.005 0.000 0.287 129 A C -0.311 177.300 177.584 0.044 0.000 1.181 129 A CA -0.029 52.028 52.037 0.034 0.000 0.831 129 A CB 0.198 19.219 19.000 0.034 0.000 1.102 129 A HN 0.670 nan 8.150 nan 0.000 0.513 130 D N 0.019 120.456 120.400 0.061 0.000 2.570 130 D HA 0.643 5.286 4.640 0.005 0.000 0.244 130 D C -1.154 175.146 176.300 -0.000 0.000 1.178 130 D CA 0.003 53.996 54.000 -0.011 0.000 0.881 130 D CB 2.244 42.981 40.800 -0.104 0.000 1.453 130 D HN 0.409 nan 8.370 nan 0.000 0.447 131 T N 1.409 115.900 114.554 -0.105 0.000 2.881 131 T HA 0.636 4.989 4.350 0.005 0.000 0.291 131 T C -1.197 173.366 174.700 -0.229 0.000 0.990 131 T CA -0.482 61.564 62.100 -0.090 0.000 0.976 131 T CB 0.428 69.293 68.868 -0.005 0.000 0.970 131 T HN 0.301 nan 8.240 nan 0.000 0.438 132 M N 4.784 124.172 119.600 -0.354 0.000 2.535 132 M HA 0.451 4.935 4.480 0.005 0.000 0.314 132 M C 0.171 176.417 176.300 -0.090 0.000 1.153 132 M CA -0.059 55.062 55.300 -0.299 0.000 0.924 132 M CB 1.547 33.834 32.600 -0.523 0.000 1.710 132 M HN 0.866 nan 8.290 nan 0.000 0.451 133 D N 0.597 120.965 120.400 -0.053 0.000 3.006 133 D HA -0.201 4.442 4.640 0.005 0.000 0.208 133 D C 0.613 176.922 176.300 0.015 0.000 1.116 133 D CA 2.325 56.325 54.000 0.001 0.000 0.998 133 D CB -1.555 39.267 40.800 0.037 0.000 1.124 133 D HN 1.312 nan 8.370 nan 0.000 0.413 134 G N -1.608 107.197 108.800 0.009 0.000 2.697 134 G HA2 -0.051 3.912 3.960 0.005 0.000 0.200 134 G HA3 -0.051 3.912 3.960 0.005 0.000 0.200 134 G C 0.203 175.128 174.900 0.042 0.000 1.106 134 G CA 0.348 45.459 45.100 0.019 0.000 0.748 134 G HN 1.228 nan 8.290 nan 0.000 0.503 135 V N 3.377 123.338 119.914 0.080 0.000 2.881 135 V HA 0.628 4.751 4.120 0.005 0.000 0.303 135 V C 1.255 177.455 176.094 0.178 0.000 1.070 135 V CA 1.032 63.398 62.300 0.109 0.000 1.074 135 V CB 1.372 33.262 31.823 0.112 0.000 1.012 135 V HN 1.239 nan 8.190 nan 0.000 0.482 136 T N 3.119 117.759 114.554 0.142 0.000 2.862 136 T HA 0.893 5.246 4.350 0.005 0.000 0.276 136 T C 0.109 174.931 174.700 0.203 0.000 0.974 136 T CA 0.152 62.353 62.100 0.168 0.000 0.966 136 T CB 1.477 70.393 68.868 0.081 0.000 1.072 136 T HN 1.774 nan 8.240 nan 0.000 0.538 137 G N -0.604 108.325 108.800 0.214 0.000 2.327 137 G HA2 0.433 4.396 3.960 0.005 0.000 0.291 137 G HA3 0.433 4.396 3.960 0.005 0.000 0.291 137 G C -0.890 174.074 174.900 0.106 0.000 1.290 137 G CA -0.156 44.975 45.100 0.052 0.000 0.857 137 G HN 1.038 nan 8.290 nan 0.000 0.520 138 T N -1.148 113.344 114.554 -0.102 0.000 2.887 138 T HA 0.697 5.050 4.350 0.005 0.000 0.288 138 T C -0.242 174.321 174.700 -0.229 0.000 1.021 138 T CA -0.464 61.520 62.100 -0.195 0.000 1.000 138 T CB 1.495 70.083 68.868 -0.466 0.000 1.034 138 T HN 0.916 nan 8.240 nan 0.000 0.467 139 R N 3.251 123.645 120.500 -0.177 0.000 2.460 139 R HA 0.631 4.974 4.340 0.005 0.000 0.303 139 R C -1.612 174.539 176.300 -0.249 0.000 0.968 139 R CA -0.562 55.529 56.100 -0.015 0.000 0.889 139 R CB 0.687 31.079 30.300 0.153 0.000 1.123 139 R HN 0.478 nan 8.270 nan 0.000 0.455 140 F N 1.502 121.529 119.950 0.129 0.000 2.458 140 F HA 0.461 4.991 4.527 0.005 0.000 0.336 140 F C -0.111 175.827 175.800 0.230 0.000 1.114 140 F CA -0.611 57.500 58.000 0.185 0.000 0.987 140 F CB 2.532 41.668 39.000 0.227 0.000 1.130 140 F HN 0.416 nan 8.300 nan 0.000 0.458 141 S N 1.890 117.817 115.700 0.379 0.000 2.557 141 S HA 0.822 5.295 4.470 0.005 0.000 0.291 141 S C -1.158 173.578 174.600 0.226 0.000 1.116 141 S CA -0.683 57.676 58.200 0.264 0.000 0.992 141 S CB 2.011 65.314 63.200 0.172 0.000 1.028 141 S HN 0.334 nan 8.310 nan 0.000 0.484 142 V N 2.800 122.828 119.914 0.190 0.000 2.733 142 V HA 0.412 4.535 4.120 0.005 0.000 0.306 142 V C -1.306 174.998 176.094 0.350 0.000 1.084 142 V CA -0.852 61.562 62.300 0.190 0.000 0.905 142 V CB 1.925 33.672 31.823 -0.127 0.000 1.010 142 V HN 0.959 nan 8.190 nan 0.000 0.424 143 W N 5.635 127.044 121.300 0.181 0.000 2.437 143 W HA 0.645 5.308 4.660 0.005 0.000 0.312 143 W C 0.095 176.757 176.519 0.238 0.000 1.242 143 W CA -0.576 56.860 57.345 0.151 0.000 1.340 143 W CB 0.667 30.177 29.460 0.082 0.000 1.327 143 W HN 0.717 nan 8.180 nan 0.000 0.476 144 A N 9.603 132.393 122.820 -0.051 0.000 2.768 144 A HA 0.319 4.642 4.320 0.005 0.000 0.298 144 A C -1.870 175.655 177.584 -0.098 0.000 1.159 144 A CA -0.906 51.077 52.037 -0.090 0.000 0.783 144 A CB 0.904 20.117 19.000 0.356 0.000 1.333 144 A HN 0.440 nan 8.150 nan 0.000 0.412 145 P HA -0.114 nan 4.420 nan 0.000 0.216 145 P C 0.239 177.498 177.300 -0.068 0.000 1.153 145 P CA 1.230 64.244 63.100 -0.145 0.000 0.848 145 P CB 0.104 31.744 31.700 -0.099 0.000 0.787 146 N N 0.323 118.996 118.700 -0.045 0.000 2.495 146 N HA 0.419 5.162 4.740 0.005 0.000 0.294 146 N C -0.023 175.567 175.510 0.133 0.000 1.276 146 N CA 0.025 53.090 53.050 0.025 0.000 0.973 146 N CB -0.481 38.000 38.487 -0.010 0.000 1.143 146 N HN 0.196 nan 8.380 nan 0.000 0.589 147 A N -0.971 121.919 122.820 0.117 0.000 2.435 147 A HA -0.121 4.203 4.320 0.005 0.000 0.686 147 A C 1.042 178.777 177.584 0.252 0.000 0.138 147 A CA -0.181 51.938 52.037 0.136 0.000 0.024 147 A CB -0.517 18.547 19.000 0.106 0.000 3.974 147 A HN 0.681 nan 8.150 nan 0.000 0.548 148 R N 0.844 121.427 120.500 0.140 0.000 2.075 148 R HA -0.008 4.335 4.340 0.005 0.000 0.230 148 R C 0.795 177.254 176.300 0.264 0.000 1.140 148 R CA 1.823 58.022 56.100 0.165 0.000 0.928 148 R CB -0.215 30.127 30.300 0.070 0.000 0.834 148 R HN 0.730 nan 8.270 nan 0.000 0.429 149 R N -0.851 119.635 120.500 -0.024 0.000 2.707 149 R HA 0.503 4.846 4.340 0.005 0.000 0.272 149 R C -1.597 174.225 176.300 -0.796 0.000 1.011 149 R CA -0.515 55.389 56.100 -0.327 0.000 0.893 149 R CB 2.731 32.986 30.300 -0.074 0.000 1.233 149 R HN -0.079 nan 8.270 nan 0.000 0.464 150 V N 1.500 120.667 119.914 -1.244 0.000 2.760 150 V HA 0.698 4.821 4.120 0.005 0.000 0.309 150 V C -0.895 174.969 176.094 -0.383 0.000 1.077 150 V CA -0.640 61.115 62.300 -0.908 0.000 0.910 150 V CB 2.109 33.074 31.823 -1.431 0.000 1.008 150 V HN 0.952 nan 8.190 nan 0.000 0.424 151 S N 3.034 118.641 115.700 -0.156 0.000 2.634 151 S HA 0.851 5.325 4.470 0.005 0.000 0.296 151 S C -1.010 173.641 174.600 0.085 0.000 1.104 151 S CA -0.843 57.354 58.200 -0.005 0.000 0.920 151 S CB 2.057 65.254 63.200 -0.005 0.000 1.111 151 S HN 0.454 nan 8.310 nan 0.000 0.493 152 V N 1.998 121.938 119.914 0.043 0.000 2.370 152 V HA 0.606 4.729 4.120 0.005 0.000 0.279 152 V C -0.192 175.816 176.094 -0.142 0.000 1.029 152 V CA -0.651 61.584 62.300 -0.107 0.000 0.870 152 V CB 0.886 32.461 31.823 -0.413 0.000 0.984 152 V HN 0.912 nan 8.190 nan 0.000 0.451 153 V N 2.262 122.067 119.914 -0.183 0.000 2.448 153 V HA 1.103 5.226 4.120 0.005 0.000 0.295 153 V C 0.226 175.930 176.094 -0.650 0.000 1.025 153 V CA 0.046 62.190 62.300 -0.260 0.000 0.859 153 V CB 0.961 32.825 31.823 0.069 0.000 0.988 153 V HN 1.017 nan 8.190 nan 0.000 0.431 154 G N 2.690 110.610 108.800 -1.466 0.000 2.650 154 G HA2 0.360 4.323 3.960 0.005 0.000 0.310 154 G HA3 0.360 4.323 3.960 0.005 0.000 0.310 154 G C -0.328 173.217 174.900 -2.259 0.000 1.270 154 G CA -0.341 43.430 45.100 -2.215 0.000 0.810 154 G HN 0.508 nan 8.290 nan 0.000 0.493 155 Q N -0.721 118.187 119.800 -1.487 0.000 2.437 155 Q HA 0.005 4.348 4.340 0.005 0.000 0.210 155 Q C 1.459 177.084 176.000 -0.624 0.000 0.972 155 Q CA 1.390 56.700 55.803 -0.821 0.000 0.903 155 Q CB -0.265 28.281 28.738 -0.320 0.000 0.967 155 Q HN 0.556 nan 8.270 nan 0.000 0.486 156 F N -2.913 116.754 119.950 -0.472 0.000 2.641 156 F HA 0.406 4.935 4.527 0.004 0.000 0.302 156 F C 0.670 176.292 175.800 -0.297 0.000 1.098 156 F CA -0.410 57.386 58.000 -0.339 0.000 1.318 156 F CB 0.322 39.167 39.000 -0.259 0.000 1.035 156 F HN -0.120 nan 8.300 nan 0.000 0.551 157 N N -0.781 117.597 118.700 -0.536 0.000 2.082 157 N HA 0.048 4.792 4.740 0.005 0.000 0.228 157 N C -0.406 175.098 175.510 -0.010 0.000 1.341 157 N CA -0.138 52.795 53.050 -0.195 0.000 0.873 157 N CB 0.069 38.384 38.487 -0.287 0.000 1.137 157 N HN 0.306 nan 8.380 nan 0.000 0.505 158 Y N -1.175 118.995 120.300 -0.218 0.000 4.409 158 Y HA -0.315 4.238 4.550 0.005 0.000 0.228 158 Y C -0.455 175.492 175.900 0.079 0.000 1.108 158 Y CA 0.708 58.780 58.100 -0.048 0.000 1.955 158 Y CB -2.625 35.847 38.460 0.019 0.000 1.615 158 Y HN 0.202 nan 8.280 nan 0.000 0.665 159 W N -1.027 120.228 121.300 -0.074 0.000 4.706 159 W HA -0.222 4.441 4.660 0.004 0.000 0.366 159 W C 0.160 176.653 176.519 -0.042 0.000 1.382 159 W CA 0.860 58.142 57.345 -0.104 0.000 0.832 159 W CB -1.255 28.154 29.460 -0.086 0.000 2.504 159 W HN 0.314 nan 8.180 nan 0.000 1.403 160 D N -0.047 120.426 120.400 0.120 0.000 2.427 160 D HA 0.463 5.106 4.640 0.005 0.000 0.226 160 D C 1.324 177.663 176.300 0.064 0.000 1.076 160 D CA 0.499 54.560 54.000 0.101 0.000 0.849 160 D CB 0.923 41.787 40.800 0.107 0.000 1.052 160 D HN 0.069 nan 8.370 nan 0.000 0.515 161 G N 3.045 111.877 108.800 0.052 0.000 2.776 161 G HA2 -0.154 3.810 3.960 0.005 0.000 0.209 161 G HA3 -0.154 3.810 3.960 0.005 0.000 0.209 161 G C 1.314 176.229 174.900 0.024 0.000 1.145 161 G CA 0.041 45.162 45.100 0.034 0.000 0.791 161 G HN 0.422 nan 8.290 nan 0.000 0.530 162 R N -0.797 119.716 120.500 0.022 0.000 2.275 162 R HA 0.163 4.506 4.340 0.005 0.000 0.199 162 R C 2.384 178.681 176.300 -0.006 0.000 0.989 162 R CA 0.276 56.380 56.100 0.007 0.000 1.016 162 R CB 0.065 30.366 30.300 0.003 0.000 0.918 162 R HN 0.186 nan 8.270 nan 0.000 0.473 163 R N -0.278 120.223 120.500 0.002 0.000 2.055 163 R HA 0.060 4.403 4.340 0.005 0.000 0.221 163 R C 0.314 176.501 176.300 -0.189 0.000 1.154 163 R CA 1.023 57.078 56.100 -0.074 0.000 0.975 163 R CB 0.394 30.694 30.300 -0.000 0.000 0.869 163 R HN 0.145 nan 8.270 nan 0.000 0.437 164 H N 1.085 120.173 119.070 0.031 0.000 2.683 164 H HA 0.324 4.883 4.556 0.005 0.000 0.270 164 H C -2.265 173.081 175.328 0.031 0.000 1.201 164 H CA -2.268 53.801 56.048 0.034 0.000 1.277 164 H CB 1.276 31.062 29.762 0.040 0.000 1.400 164 H HN 0.221 nan 8.280 nan 0.000 0.504 165 P HA 0.253 nan 4.420 nan 0.000 0.286 165 P C -0.029 177.365 177.300 0.157 0.000 1.261 165 P CA -0.602 62.556 63.100 0.097 0.000 0.821 165 P CB 1.468 33.211 31.700 0.072 0.000 1.013 166 M N 1.330 121.039 119.600 0.182 0.000 2.528 166 M HA 0.504 4.987 4.480 0.005 0.000 0.318 166 M C 0.485 177.070 176.300 0.475 0.000 1.195 166 M CA -0.690 54.797 55.300 0.311 0.000 1.000 166 M CB 1.967 34.769 32.600 0.338 0.000 1.615 166 M HN 0.192 nan 8.290 nan 0.000 0.469 167 R N 1.959 122.696 120.500 0.395 0.000 2.295 167 R HA 0.560 4.903 4.340 0.005 0.000 0.324 167 R C -1.316 175.038 176.300 0.092 0.000 0.968 167 R CA -0.574 55.688 56.100 0.271 0.000 0.837 167 R CB 1.018 31.406 30.300 0.148 0.000 1.133 167 R HN 0.830 nan 8.270 nan 0.000 0.450 168 L N 3.604 124.622 121.223 -0.342 0.000 2.452 168 L HA 0.362 4.706 4.340 0.005 0.000 0.267 168 L C -0.271 176.368 176.870 -0.384 0.000 1.188 168 L CA -0.145 54.181 54.840 -0.856 0.000 0.821 168 L CB 0.619 41.640 42.059 -1.730 0.000 1.102 168 L HN 0.715 nan 8.230 nan 0.000 0.470 169 R N 2.316 122.633 120.500 -0.305 0.000 2.778 169 R HA 0.346 4.689 4.340 0.005 0.000 0.277 169 R C 0.631 176.852 176.300 -0.132 0.000 0.977 169 R CA -0.480 55.529 56.100 -0.151 0.000 0.950 169 R CB 1.529 31.784 30.300 -0.075 0.000 1.165 169 R HN 0.787 nan 8.270 nan 0.000 0.474 170 K N 1.615 121.965 120.400 -0.083 0.000 1.980 170 K HA 0.025 4.349 4.320 0.005 0.000 0.208 170 K C 0.382 176.965 176.600 -0.029 0.000 1.043 170 K CA 0.691 56.942 56.287 -0.060 0.000 0.938 170 K CB 0.011 32.485 32.500 -0.044 0.000 0.724 170 K HN 0.442 nan 8.250 nan 0.000 0.438 171 E N 1.115 121.304 120.200 -0.019 0.000 2.365 171 E HA 0.017 4.370 4.350 0.005 0.000 0.188 171 E C 0.812 177.416 176.600 0.006 0.000 1.102 171 E CA 0.510 56.907 56.400 -0.005 0.000 0.927 171 E CB 0.699 30.393 29.700 -0.010 0.000 1.073 171 E HN 0.555 nan 8.360 nan 0.000 0.467 172 S N -2.071 113.642 115.700 0.021 0.000 3.265 172 S HA 0.299 4.772 4.470 0.005 0.000 0.259 172 S C 1.428 176.135 174.600 0.179 0.000 1.089 172 S CA 0.406 58.640 58.200 0.058 0.000 0.811 172 S CB 0.668 63.886 63.200 0.029 0.000 0.858 172 S HN 0.179 nan 8.310 nan 0.000 0.452 173 G N 1.635 110.492 108.800 0.095 0.000 2.164 173 G HA2 -0.117 3.846 3.960 0.005 0.000 0.212 173 G HA3 -0.117 3.846 3.960 0.005 0.000 0.212 173 G C -0.316 174.640 174.900 0.093 0.000 1.031 173 G CA 0.076 45.216 45.100 0.067 0.000 0.730 173 G HN 0.648 nan 8.290 nan 0.000 0.501 174 I N 0.008 120.599 120.570 0.035 0.000 2.355 174 I HA 0.417 4.590 4.170 0.005 0.000 0.288 174 I C 0.323 176.431 176.117 -0.016 0.000 0.999 174 I CA -1.160 60.200 61.300 0.100 0.000 1.163 174 I CB 0.792 38.880 38.000 0.147 0.000 1.316 174 I HN 0.136 nan 8.210 nan 0.000 0.454 175 W N 6.394 127.742 121.300 0.080 0.000 2.216 175 W HA 0.324 4.987 4.660 0.006 0.000 0.326 175 W C 0.527 177.104 176.519 0.097 0.000 1.319 175 W CA -0.016 57.369 57.345 0.068 0.000 1.213 175 W CB 0.356 29.836 29.460 0.032 0.000 1.171 175 W HN 0.451 nan 8.180 nan 0.000 0.557 176 E N 1.488 121.888 120.200 0.333 0.000 2.433 176 E HA 0.843 5.196 4.350 0.005 0.000 0.278 176 E C -1.970 174.802 176.600 0.288 0.000 0.976 176 E CA -1.326 55.245 56.400 0.285 0.000 0.793 176 E CB 2.234 32.051 29.700 0.196 0.000 1.311 176 E HN 0.347 nan 8.360 nan 0.000 0.460 177 L N 0.444 121.851 121.223 0.308 0.000 2.845 177 L HA 0.489 4.833 4.340 0.005 0.000 0.256 177 L C -2.231 174.863 176.870 0.374 0.000 0.968 177 L CA -0.486 54.540 54.840 0.310 0.000 0.944 177 L CB 2.105 44.337 42.059 0.288 0.000 1.494 177 L HN 0.759 nan 8.230 nan 0.000 0.419 178 F N 5.217 125.265 119.950 0.162 0.000 2.434 178 F HA 0.664 5.195 4.527 0.006 0.000 0.367 178 F C -0.909 174.943 175.800 0.087 0.000 1.093 178 F CA -0.562 57.503 58.000 0.108 0.000 1.085 178 F CB 0.602 39.637 39.000 0.059 0.000 1.322 178 F HN 0.313 nan 8.300 nan 0.000 0.452 179 I N 8.466 128.799 120.570 -0.394 0.000 2.322 179 I HA 0.255 4.429 4.170 0.005 0.000 0.292 179 I C -1.987 173.653 176.117 -0.795 0.000 1.060 179 I CA -1.936 59.029 61.300 -0.558 0.000 1.309 179 I CB 0.741 38.386 38.000 -0.592 0.000 1.415 179 I HN 0.391 nan 8.210 nan 0.000 0.492 180 P HA 0.172 nan 4.420 nan 0.000 0.278 180 P C 0.743 177.875 177.300 -0.280 0.000 1.238 180 P CA 0.283 63.084 63.100 -0.497 0.000 0.794 180 P CB 1.495 33.016 31.700 -0.299 0.000 0.955 181 G N 1.754 110.451 108.800 -0.171 0.000 2.363 181 G HA2 -0.263 3.701 3.960 0.005 0.000 0.238 181 G HA3 -0.263 3.701 3.960 0.005 0.000 0.238 181 G C 0.425 175.286 174.900 -0.065 0.000 1.062 181 G CA 0.135 45.182 45.100 -0.087 0.000 0.629 181 G HN 0.878 nan 8.290 nan 0.000 0.514 182 A N 2.653 125.292 122.820 -0.301 0.000 2.484 182 A HA 0.584 4.908 4.320 0.005 0.000 0.268 182 A C 0.649 178.125 177.584 -0.180 0.000 1.114 182 A CA 0.746 52.515 52.037 -0.448 0.000 0.780 182 A CB -0.323 18.001 19.000 -1.126 0.000 1.061 182 A HN 1.271 nan 8.150 nan 0.000 0.505 183 H N 1.594 120.587 119.070 -0.127 0.000 2.812 183 H HA 0.440 4.999 4.556 0.005 0.000 0.355 183 H C -0.730 174.594 175.328 -0.007 0.000 1.207 183 H CA -1.395 54.617 56.048 -0.061 0.000 1.217 183 H CB 0.412 30.156 29.762 -0.030 0.000 1.874 183 H HN 0.487 nan 8.280 nan 0.000 0.581 184 N N -0.496 118.250 118.700 0.077 0.000 2.458 184 N HA 0.166 4.909 4.740 0.005 0.000 0.258 184 N C 1.308 176.839 175.510 0.034 0.000 1.219 184 N CA 1.926 55.008 53.050 0.054 0.000 0.902 184 N CB 0.762 39.307 38.487 0.097 0.000 1.076 184 N HN 0.950 nan 8.380 nan 0.000 0.455 185 G N 1.572 110.389 108.800 0.028 0.000 2.307 185 G HA2 -0.216 3.748 3.960 0.005 0.000 0.210 185 G HA3 -0.216 3.748 3.960 0.005 0.000 0.210 185 G C -0.025 174.879 174.900 0.007 0.000 1.005 185 G CA -0.412 44.712 45.100 0.040 0.000 0.634 185 G HN 0.566 nan 8.290 nan 0.000 0.496 186 Q N 0.452 120.202 119.800 -0.083 0.000 2.306 186 Q HA 0.663 5.006 4.340 0.005 0.000 0.241 186 Q C 0.228 176.296 176.000 0.112 0.000 0.948 186 Q CA -0.231 55.556 55.803 -0.026 0.000 0.886 186 Q CB 1.318 30.008 28.738 -0.080 0.000 1.227 186 Q HN 0.465 nan 8.270 nan 0.000 0.457 187 L N 2.367 123.645 121.223 0.092 0.000 2.357 187 L HA 0.511 4.854 4.340 0.005 0.000 0.273 187 L C -0.571 176.347 176.870 0.081 0.000 1.080 187 L CA -0.728 54.198 54.840 0.145 0.000 0.803 187 L CB 0.201 42.387 42.059 0.212 0.000 1.174 187 L HN 0.625 nan 8.230 nan 0.000 0.443 188 Y N -0.208 120.087 120.300 -0.008 0.000 2.638 188 Y HA 0.757 5.310 4.550 0.005 0.000 0.335 188 Y C -1.248 174.626 175.900 -0.045 0.000 1.155 188 Y CA -1.357 56.642 58.100 -0.169 0.000 1.046 188 Y CB 1.524 39.908 38.460 -0.127 0.000 1.303 188 Y HN 0.399 nan 8.280 nan 0.000 0.460 189 K N 0.399 120.755 120.400 -0.074 0.000 2.318 189 K HA 0.491 4.814 4.320 0.005 0.000 0.265 189 K C -2.065 174.364 176.600 -0.286 0.000 1.055 189 K CA -1.226 54.941 56.287 -0.199 0.000 0.896 189 K CB 2.464 34.969 32.500 0.008 0.000 1.479 189 K HN 0.734 nan 8.250 nan 0.000 0.449 190 Y N 0.976 121.329 120.300 0.088 0.000 2.328 190 Y HA 0.206 4.759 4.550 0.006 0.000 0.336 190 Y C -0.121 175.757 175.900 -0.037 0.000 0.960 190 Y CA -0.539 57.579 58.100 0.029 0.000 1.134 190 Y CB 1.725 40.206 38.460 0.035 0.000 1.166 190 Y HN 0.402 nan 8.280 nan 0.000 0.464 191 E N 6.272 126.524 120.200 0.086 0.000 2.089 191 E HA 0.313 4.666 4.350 0.005 0.000 0.284 191 E C -0.832 175.732 176.600 -0.061 0.000 1.023 191 E CA -0.487 55.919 56.400 0.009 0.000 0.819 191 E CB 0.613 30.319 29.700 0.010 0.000 1.076 191 E HN 0.748 nan 8.360 nan 0.000 0.396 192 M N 3.410 122.948 119.600 -0.103 0.000 2.662 192 M HA 0.473 4.957 4.480 0.005 0.000 0.310 192 M C -1.271 174.942 176.300 -0.146 0.000 1.204 192 M CA -0.919 54.266 55.300 -0.191 0.000 0.891 192 M CB 1.590 34.038 32.600 -0.252 0.000 1.732 192 M HN 0.186 nan 8.290 nan 0.000 0.467 193 I N 3.099 123.574 120.570 -0.160 0.000 2.347 193 I HA 0.231 4.404 4.170 0.005 0.000 0.283 193 I C -0.362 175.711 176.117 -0.073 0.000 1.058 193 I CA -0.328 60.917 61.300 -0.093 0.000 1.202 193 I CB -0.236 37.724 38.000 -0.067 0.000 1.386 193 I HN 0.851 nan 8.210 nan 0.000 0.475 194 D N 4.990 125.353 120.400 -0.062 0.000 2.478 194 D HA 0.021 4.664 4.640 0.005 0.000 0.234 194 D C 1.341 177.634 176.300 -0.012 0.000 1.154 194 D CA 0.199 54.172 54.000 -0.044 0.000 0.874 194 D CB 1.245 42.027 40.800 -0.030 0.000 1.198 194 D HN 0.603 nan 8.370 nan 0.000 0.455 195 A N 3.457 126.277 122.820 -0.000 0.000 2.194 195 A HA -0.211 4.112 4.320 0.005 0.000 0.220 195 A C 1.557 179.149 177.584 0.013 0.000 1.162 195 A CA 1.199 53.245 52.037 0.016 0.000 0.674 195 A CB -0.582 18.427 19.000 0.015 0.000 0.789 195 A HN 0.762 nan 8.150 nan 0.000 0.470 196 N N -1.461 117.244 118.700 0.008 0.000 2.205 196 N HA 0.230 4.973 4.740 0.005 0.000 0.201 196 N C 0.768 176.281 175.510 0.006 0.000 1.128 196 N CA 0.551 53.606 53.050 0.009 0.000 0.867 196 N CB 0.582 39.077 38.487 0.013 0.000 0.996 196 N HN 0.563 nan 8.380 nan 0.000 0.503 197 G N 1.401 110.203 108.800 0.002 0.000 2.130 197 G HA2 -0.204 3.759 3.960 0.005 0.000 0.216 197 G HA3 -0.204 3.759 3.960 0.005 0.000 0.216 197 G C -0.499 174.397 174.900 -0.008 0.000 0.999 197 G CA -0.445 44.654 45.100 -0.002 0.000 0.686 197 G HN 0.255 nan 8.290 nan 0.000 0.515 198 N N -0.552 118.142 118.700 -0.009 0.000 2.472 198 N HA 0.684 5.427 4.740 0.005 0.000 0.289 198 N C -0.213 175.283 175.510 -0.022 0.000 1.156 198 N CA -0.601 52.443 53.050 -0.011 0.000 0.940 198 N CB 1.617 40.105 38.487 0.003 0.000 1.200 198 N HN 0.195 nan 8.380 nan 0.000 0.511 199 L N 1.824 123.033 121.223 -0.023 0.000 2.264 199 L HA 0.455 4.798 4.340 0.005 0.000 0.287 199 L C -0.646 176.209 176.870 -0.025 0.000 1.039 199 L CA -0.388 54.435 54.840 -0.030 0.000 0.829 199 L CB -0.014 42.028 42.059 -0.027 0.000 1.211 199 L HN 0.366 nan 8.230 nan 0.000 0.427 200 R N 5.433 125.915 120.500 -0.029 0.000 2.575 200 R HA 0.493 4.836 4.340 0.005 0.000 0.293 200 R C -1.261 175.023 176.300 -0.025 0.000 0.983 200 R CA -0.922 55.172 56.100 -0.010 0.000 0.887 200 R CB 2.417 32.737 30.300 0.034 0.000 1.184 200 R HN 0.547 nan 8.270 nan 0.000 0.445 201 L N 3.871 125.087 121.223 -0.012 0.000 2.319 201 L HA 0.343 4.687 4.340 0.005 0.000 0.280 201 L C 0.049 176.919 176.870 -0.000 0.000 1.099 201 L CA -0.349 54.485 54.840 -0.009 0.000 0.828 201 L CB 0.390 42.434 42.059 -0.025 0.000 1.150 201 L HN 0.255 nan 8.230 nan 0.000 0.442 202 K N 2.222 122.627 120.400 0.008 0.000 2.270 202 K HA 0.410 4.733 4.320 0.005 0.000 0.255 202 K C -0.345 176.318 176.600 0.105 0.000 0.936 202 K CA -0.543 55.755 56.287 0.018 0.000 0.809 202 K CB 2.133 34.554 32.500 -0.133 0.000 1.131 202 K HN 0.612 nan 8.250 nan 0.000 0.427 203 S N 0.484 116.243 115.700 0.098 0.000 2.586 203 S HA 0.152 4.625 4.470 0.005 0.000 0.274 203 S C -0.004 174.737 174.600 0.235 0.000 1.281 203 S CA -0.762 57.485 58.200 0.078 0.000 1.035 203 S CB 1.050 64.259 63.200 0.014 0.000 0.962 203 S HN 0.463 nan 8.310 nan 0.000 0.512 204 D N 2.001 122.540 120.400 0.232 0.000 2.434 204 D HA 0.222 4.866 4.640 0.005 0.000 0.252 204 D C -1.453 174.991 176.300 0.241 0.000 1.185 204 D CA -1.871 52.379 54.000 0.417 0.000 0.886 204 D CB 1.000 42.084 40.800 0.473 0.000 1.148 204 D HN 0.213 nan 8.370 nan 0.000 0.483 205 P HA -0.128 nan 4.420 nan 0.000 0.218 205 P C 0.071 177.417 177.300 0.077 0.000 1.148 205 P CA 1.158 64.279 63.100 0.034 0.000 0.822 205 P CB 0.002 31.558 31.700 -0.239 0.000 0.784 206 Y N -0.802 119.536 120.300 0.064 0.000 2.867 206 Y HA 0.445 4.998 4.550 0.005 0.000 0.351 206 Y C 0.783 176.349 175.900 -0.557 0.000 1.046 206 Y CA -0.949 56.980 58.100 -0.284 0.000 1.520 206 Y CB -0.670 37.601 38.460 -0.314 0.000 1.337 206 Y HN -0.143 nan 8.280 nan 0.000 0.525 207 A N -0.233 122.491 122.820 -0.160 0.000 2.409 207 A HA 0.313 4.637 4.320 0.005 0.000 0.262 207 A C 0.148 177.639 177.584 -0.155 0.000 1.113 207 A CA -0.121 51.807 52.037 -0.180 0.000 0.790 207 A CB 0.058 19.045 19.000 -0.021 0.000 1.046 207 A HN 0.505 nan 8.150 nan 0.000 0.496 208 F N 0.446 120.508 119.950 0.186 0.000 2.619 208 F HA 0.220 4.750 4.527 0.005 0.000 0.293 208 F C 1.163 177.112 175.800 0.248 0.000 1.119 208 F CA 0.461 58.605 58.000 0.240 0.000 1.445 208 F CB 0.152 39.300 39.000 0.246 0.000 1.119 208 F HN 0.555 nan 8.300 nan 0.000 0.573 209 E N -1.006 119.387 120.200 0.322 0.000 2.393 209 E HA 0.732 5.085 4.350 0.005 0.000 0.273 209 E C -0.847 175.835 176.600 0.137 0.000 0.918 209 E CA -0.738 55.804 56.400 0.237 0.000 0.773 209 E CB 2.822 32.661 29.700 0.231 0.000 1.275 209 E HN -0.021 nan 8.360 nan 0.000 0.451 210 A N 1.150 124.029 122.820 0.098 0.000 2.566 210 A HA 0.628 4.951 4.320 0.005 0.000 0.291 210 A C -1.788 175.809 177.584 0.021 0.000 1.278 210 A CA -0.741 51.319 52.037 0.038 0.000 0.711 210 A CB 1.594 20.604 19.000 0.017 0.000 1.332 210 A HN 0.508 nan 8.150 nan 0.000 0.478 211 Q N -0.002 119.790 119.800 -0.013 0.000 2.295 211 Q HA 0.603 4.946 4.340 0.005 0.000 0.259 211 Q C -0.301 175.662 176.000 -0.062 0.000 0.966 211 Q CA -0.443 55.344 55.803 -0.027 0.000 0.763 211 Q CB 1.703 30.433 28.738 -0.014 0.000 1.283 211 Q HN 0.801 nan 8.270 nan 0.000 0.445 212 M N 2.350 121.897 119.600 -0.089 0.000 1.791 212 M HA 0.213 4.696 4.480 0.005 0.000 0.161 212 M C 0.888 177.125 176.300 -0.106 0.000 1.144 212 M CA 0.351 55.575 55.300 -0.126 0.000 0.949 212 M CB 0.378 32.869 32.600 -0.181 0.000 1.011 212 M HN 0.912 nan 8.290 nan 0.000 0.508 213 R N -0.006 120.424 120.500 -0.117 0.000 3.197 213 R HA -0.239 4.105 4.340 0.005 0.000 0.533 213 R C -1.173 175.082 176.300 -0.074 0.000 0.609 213 R CA 2.592 58.639 56.100 -0.088 0.000 0.323 213 R CB -3.388 26.881 30.300 -0.052 0.000 0.589 213 R HN 0.608 nan 8.270 nan 0.000 0.241 214 P HA 0.091 nan 4.420 nan 0.000 0.279 214 P C -0.415 176.846 177.300 -0.065 0.000 1.451 214 P CA 1.033 64.101 63.100 -0.053 0.000 0.783 214 P CB 0.231 31.906 31.700 -0.042 0.000 1.490 215 E N -1.506 118.648 120.200 -0.075 0.000 2.023 215 E HA 0.239 4.592 4.350 0.005 0.000 0.251 215 E C -1.445 175.104 176.600 -0.086 0.000 1.800 215 E CA -0.352 55.996 56.400 -0.086 0.000 1.160 215 E CB -0.307 29.336 29.700 -0.094 0.000 1.460 215 E HN 0.002 nan 8.360 nan 0.000 0.561 216 T N -0.688 113.814 114.554 -0.086 0.000 2.952 216 T HA 0.987 5.340 4.350 0.005 0.000 0.305 216 T C -0.823 173.831 174.700 -0.077 0.000 1.064 216 T CA -0.142 61.914 62.100 -0.074 0.000 1.008 216 T CB 1.486 70.317 68.868 -0.061 0.000 1.078 216 T HN 1.265 nan 8.240 nan 0.000 0.459 217 A N 1.648 124.426 122.820 -0.071 0.000 2.549 217 A HA 0.676 4.999 4.320 0.005 0.000 0.297 217 A C -0.513 176.991 177.584 -0.133 0.000 0.983 217 A CA -1.050 50.929 52.037 -0.097 0.000 0.654 217 A CB 0.387 19.360 19.000 -0.047 0.000 1.319 217 A HN 1.007 nan 8.150 nan 0.000 0.428 218 S N -0.264 115.250 115.700 -0.310 0.000 2.672 218 S HA 0.744 5.217 4.470 0.005 0.000 0.276 218 S C -0.292 174.171 174.600 -0.227 0.000 1.207 218 S CA -0.402 57.584 58.200 -0.356 0.000 1.002 218 S CB 1.299 64.089 63.200 -0.683 0.000 0.998 218 S HN 1.055 nan 8.310 nan 0.000 0.542 219 L N 1.121 122.367 121.223 0.037 0.000 2.303 219 L HA 0.631 4.974 4.340 0.005 0.000 0.266 219 L C -1.264 175.839 176.870 0.390 0.000 1.011 219 L CA -0.589 54.376 54.840 0.207 0.000 0.818 219 L CB 1.232 43.390 42.059 0.166 0.000 1.326 219 L HN 0.618 nan 8.230 nan 0.000 0.435 220 I N 2.726 123.483 120.570 0.311 0.000 2.307 220 I HA 0.241 4.415 4.170 0.005 0.000 0.289 220 I C 0.237 176.443 176.117 0.148 0.000 1.021 220 I CA -0.419 60.997 61.300 0.193 0.000 1.224 220 I CB 0.642 38.677 38.000 0.058 0.000 1.376 220 I HN 0.822 nan 8.210 nan 0.000 0.470 221 C N 2.187 121.595 119.300 0.180 0.000 4.160 221 C HA 0.682 5.145 4.460 0.005 0.000 0.545 221 C C 1.022 176.095 174.990 0.138 0.000 1.470 221 C CA 0.044 59.160 59.018 0.164 0.000 2.412 221 C CB -0.132 27.729 27.740 0.202 0.000 3.601 221 C HN 1.028 nan 8.230 nan 0.000 0.589 222 G N 1.726 110.641 108.800 0.192 0.000 2.632 222 G HA2 0.041 4.004 3.960 0.005 0.000 0.224 222 G HA3 0.041 4.004 3.960 0.005 0.000 0.224 222 G C -1.159 173.691 174.900 -0.084 0.000 1.341 222 G CA -0.076 45.088 45.100 0.107 0.000 0.880 222 G HN 0.602 nan 8.290 nan 0.000 0.566 223 L N 2.665 123.809 121.223 -0.131 0.000 2.343 223 L HA 0.606 4.950 4.340 0.005 0.000 0.275 223 L C -1.161 175.602 176.870 -0.178 0.000 1.056 223 L CA -1.368 53.315 54.840 -0.261 0.000 0.804 223 L CB 0.882 42.868 42.059 -0.121 0.000 1.203 223 L HN 0.611 nan 8.230 nan 0.000 0.440 224 P HA 0.105 nan 4.420 nan 0.000 0.274 224 P C 0.292 177.458 177.300 -0.223 0.000 1.237 224 P CA -0.417 62.519 63.100 -0.273 0.000 0.793 224 P CB 0.946 32.343 31.700 -0.505 0.000 0.977 225 E N 2.186 122.290 120.200 -0.160 0.000 2.048 225 E HA -0.210 4.143 4.350 0.005 0.000 0.202 225 E C 0.164 176.692 176.600 -0.119 0.000 1.021 225 E CA 2.119 58.452 56.400 -0.111 0.000 0.825 225 E CB -0.135 29.515 29.700 -0.083 0.000 0.756 225 E HN 0.673 nan 8.360 nan 0.000 0.454 226 K N -3.433 116.873 120.400 -0.158 0.000 10.437 226 K HA -0.031 4.293 4.320 0.005 0.000 1.161 226 K C -1.845 174.691 176.600 -0.107 0.000 1.401 226 K CA 0.174 56.375 56.287 -0.144 0.000 0.734 226 K CB -0.804 31.643 32.500 -0.088 0.000 1.320 226 K HN -0.062 nan 8.250 nan 0.000 0.453 227 V N 2.391 122.248 119.914 -0.096 0.000 2.409 227 V HA 0.419 4.543 4.120 0.005 0.000 0.291 227 V C 0.206 176.266 176.094 -0.058 0.000 1.020 227 V CA -0.552 61.707 62.300 -0.069 0.000 0.848 227 V CB 1.309 33.103 31.823 -0.049 0.000 0.990 227 V HN 0.609 nan 8.190 nan 0.000 0.430 228 V N 2.282 122.162 119.914 -0.058 0.000 2.408 228 V HA 0.450 4.573 4.120 0.005 0.000 0.267 228 V C 0.130 176.177 176.094 -0.078 0.000 1.047 228 V CA -0.495 61.770 62.300 -0.059 0.000 0.937 228 V CB 0.969 32.762 31.823 -0.050 0.000 0.999 228 V HN 0.977 nan 8.190 nan 0.000 0.472 229 Q N 4.007 123.755 119.800 -0.087 0.000 2.297 229 Q HA 0.273 4.616 4.340 0.005 0.000 0.267 229 Q C 0.704 176.634 176.000 -0.117 0.000 1.006 229 Q CA -0.056 55.673 55.803 -0.123 0.000 0.896 229 Q CB 0.877 29.542 28.738 -0.122 0.000 1.186 229 Q HN 1.075 nan 8.270 nan 0.000 0.392 230 T N 0.481 114.949 114.554 -0.144 0.000 2.726 230 T HA 0.045 4.399 4.350 0.005 0.000 0.294 230 T C 0.793 175.429 174.700 -0.107 0.000 1.013 230 T CA -0.366 61.664 62.100 -0.117 0.000 0.996 230 T CB 0.907 69.700 68.868 -0.125 0.000 1.016 230 T HN 0.728 nan 8.240 nan 0.000 0.529 231 E N -0.233 119.918 120.200 -0.083 0.000 2.216 231 E HA -0.038 4.315 4.350 0.005 0.000 0.192 231 E C 2.092 178.650 176.600 -0.071 0.000 0.988 231 E CA 0.682 57.041 56.400 -0.068 0.000 0.834 231 E CB -0.054 29.617 29.700 -0.050 0.000 0.772 231 E HN 0.662 nan 8.360 nan 0.000 0.479 232 E N 0.040 120.193 120.200 -0.080 0.000 2.152 232 E HA -0.107 4.246 4.350 0.005 0.000 0.192 232 E C 1.966 178.508 176.600 -0.097 0.000 0.983 232 E CA 0.562 56.916 56.400 -0.077 0.000 0.818 232 E CB -0.096 29.560 29.700 -0.074 0.000 0.758 232 E HN 0.239 nan 8.360 nan 0.000 0.467 233 R N 0.804 121.223 120.500 -0.136 0.000 2.148 233 R HA -0.011 4.332 4.340 0.005 0.000 0.223 233 R C 2.212 178.437 176.300 -0.124 0.000 1.088 233 R CA 0.746 56.745 56.100 -0.168 0.000 0.985 233 R CB 0.158 30.300 30.300 -0.264 0.000 0.880 233 R HN 0.071 nan 8.270 nan 0.000 0.451 234 K N 0.497 120.833 120.400 -0.106 0.000 2.076 234 K HA -0.094 4.229 4.320 0.005 0.000 0.204 234 K C 1.882 178.444 176.600 -0.063 0.000 1.051 234 K CA 0.627 56.859 56.287 -0.091 0.000 0.949 234 K CB -0.126 32.324 32.500 -0.083 0.000 0.726 234 K HN 0.050 nan 8.250 nan 0.000 0.443 235 K N 1.336 121.708 120.400 -0.047 0.000 2.113 235 K HA -0.120 4.204 4.320 0.005 0.000 0.208 235 K C 2.062 178.662 176.600 -0.001 0.000 1.047 235 K CA 1.361 57.636 56.287 -0.021 0.000 0.928 235 K CB -0.104 32.384 32.500 -0.020 0.000 0.716 235 K HN 0.141 nan 8.250 nan 0.000 0.446 236 A N 0.758 123.576 122.820 -0.002 0.000 2.121 236 A HA -0.105 4.218 4.320 0.005 0.000 0.218 236 A C 1.421 179.095 177.584 0.149 0.000 1.154 236 A CA 1.335 53.407 52.037 0.058 0.000 0.679 236 A CB -0.411 18.598 19.000 0.015 0.000 0.795 236 A HN 0.478 nan 8.150 nan 0.000 0.458 237 N N -0.723 118.020 118.700 0.071 0.000 2.422 237 N HA 0.012 4.756 4.740 0.005 0.000 0.181 237 N C 0.245 175.761 175.510 0.011 0.000 1.080 237 N CA -0.191 52.892 53.050 0.054 0.000 0.893 237 N CB 0.119 38.580 38.487 -0.044 0.000 0.973 237 N HN 0.611 nan 8.380 nan 0.000 0.456 238 Q N -0.114 119.678 119.800 -0.012 0.000 2.524 238 Q HA 0.020 4.363 4.340 0.005 0.000 0.246 238 Q C 0.332 176.378 176.000 0.076 0.000 1.063 238 Q CA 0.086 55.849 55.803 -0.066 0.000 0.945 238 Q CB 0.492 29.235 28.738 0.009 0.000 1.292 238 Q HN 0.287 nan 8.270 nan 0.000 0.518 239 F N 0.654 120.787 119.950 0.304 0.000 2.293 239 F HA -0.172 4.358 4.527 0.005 0.000 0.300 239 F C 1.727 177.744 175.800 0.362 0.000 1.086 239 F CA 0.729 58.974 58.000 0.409 0.000 1.375 239 F CB -0.012 39.175 39.000 0.313 0.000 1.045 239 F HN 0.615 nan 8.300 nan 0.000 0.516 240 D N 0.004 120.631 120.400 0.378 0.000 2.339 240 D HA 0.132 4.775 4.640 0.005 0.000 0.217 240 D C 0.617 177.068 176.300 0.251 0.000 1.050 240 D CA 0.177 54.339 54.000 0.270 0.000 0.856 240 D CB -0.493 40.423 40.800 0.194 0.000 0.922 240 D HN 0.098 nan 8.370 nan 0.000 0.518 241 A N 1.435 124.381 122.820 0.210 0.000 2.302 241 A HA 0.538 4.861 4.320 0.005 0.000 0.285 241 A C -2.398 175.187 177.584 0.002 0.000 1.105 241 A CA -1.436 50.660 52.037 0.098 0.000 0.816 241 A CB 0.358 19.399 19.000 0.068 0.000 1.067 241 A HN 0.021 nan 8.150 nan 0.000 0.489 242 P HA 0.333 nan 4.420 nan 0.000 0.276 242 P C -0.989 176.290 177.300 -0.035 0.000 1.235 242 P CA 0.542 63.352 63.100 -0.483 0.000 0.772 242 P CB 0.504 31.609 31.700 -0.993 0.000 0.871 243 I N 2.103 122.772 120.570 0.164 0.000 2.497 243 I HA 0.221 4.394 4.170 0.005 0.000 0.284 243 I C -0.171 176.000 176.117 0.089 0.000 1.060 243 I CA -0.367 60.978 61.300 0.074 0.000 1.071 243 I CB 1.928 39.844 38.000 -0.139 0.000 1.216 243 I HN 0.242 nan 8.210 nan 0.000 0.442 244 S N 7.736 123.544 115.700 0.180 0.000 2.707 244 S HA 0.688 5.162 4.470 0.005 0.000 0.303 244 S C -0.887 173.933 174.600 0.366 0.000 1.132 244 S CA -0.414 57.902 58.200 0.193 0.000 1.046 244 S CB 0.810 64.198 63.200 0.313 0.000 1.004 244 S HN 0.446 nan 8.310 nan 0.000 0.483 245 I N 4.801 125.511 120.570 0.234 0.000 2.404 245 I HA 0.357 4.530 4.170 0.005 0.000 0.293 245 I C -0.874 175.273 176.117 0.050 0.000 0.992 245 I CA -0.862 60.542 61.300 0.173 0.000 1.149 245 I CB 1.572 39.597 38.000 0.042 0.000 1.315 245 I HN 0.677 nan 8.210 nan 0.000 0.446 246 Y N 6.005 126.103 120.300 -0.336 0.000 2.385 246 Y HA 0.268 4.821 4.550 0.005 0.000 0.341 246 Y C 0.226 175.995 175.900 -0.217 0.000 0.965 246 Y CA -0.459 57.277 58.100 -0.607 0.000 1.180 246 Y CB 0.786 38.649 38.460 -0.995 0.000 1.139 246 Y HN 0.546 nan 8.280 nan 0.000 0.502 247 E N 5.944 125.935 120.200 -0.349 0.000 2.229 247 E HA 0.421 4.775 4.350 0.005 0.000 0.283 247 E C -1.413 174.975 176.600 -0.353 0.000 1.030 247 E CA -0.593 55.715 56.400 -0.154 0.000 0.836 247 E CB 1.009 30.784 29.700 0.126 0.000 1.068 247 E HN 0.547 nan 8.360 nan 0.000 0.401 248 V N 1.953 121.726 119.914 -0.234 0.000 2.789 248 V HA 0.352 4.475 4.120 0.005 0.000 0.311 248 V C -0.605 175.462 176.094 -0.044 0.000 1.073 248 V CA -0.992 61.148 62.300 -0.268 0.000 0.921 248 V CB 1.726 33.327 31.823 -0.371 0.000 1.009 248 V HN 0.738 nan 8.190 nan 0.000 0.426 249 H N 4.508 123.549 119.070 -0.049 0.000 2.640 249 H HA 0.441 5.000 4.556 0.005 0.000 0.297 249 H C 0.595 175.971 175.328 0.080 0.000 1.073 249 H CA -0.422 55.666 56.048 0.066 0.000 1.305 249 H CB 1.695 31.617 29.762 0.267 0.000 1.404 249 H HN 0.838 nan 8.280 nan 0.000 0.459 250 L N 3.576 124.554 121.223 -0.409 0.000 2.129 250 L HA -0.143 4.200 4.340 0.005 0.000 0.212 250 L C 2.440 179.037 176.870 -0.454 0.000 1.087 250 L CA 1.473 55.986 54.840 -0.546 0.000 0.757 250 L CB -0.400 41.082 42.059 -0.961 0.000 0.896 250 L HN 0.695 nan 8.230 nan 0.000 0.434 251 G N -0.978 107.623 108.800 -0.331 0.000 2.572 251 G HA2 -0.124 3.839 3.960 0.005 0.000 0.216 251 G HA3 -0.124 3.839 3.960 0.005 0.000 0.216 251 G C 1.234 176.537 174.900 0.673 0.000 1.133 251 G CA 0.855 46.109 45.100 0.257 0.000 0.791 251 G HN 0.521 nan 8.290 nan 0.000 0.538 252 S N -2.387 113.716 115.700 0.671 0.000 2.900 252 S HA 0.093 4.566 4.470 0.005 0.000 0.253 252 S C 1.078 176.011 174.600 0.555 0.000 1.029 252 S CA -0.460 58.138 58.200 0.664 0.000 1.096 252 S CB -0.256 63.428 63.200 0.806 0.000 1.067 252 S HN 0.392 nan 8.310 nan 0.000 0.610 253 W N 3.343 124.814 121.300 0.285 0.000 2.348 253 W HA 0.223 4.887 4.660 0.005 0.000 0.324 253 W C 0.793 177.561 176.519 0.415 0.000 1.209 253 W CA 1.170 58.672 57.345 0.263 0.000 1.275 253 W CB 0.070 29.615 29.460 0.141 0.000 1.175 253 W HN 0.135 nan 8.180 nan 0.000 0.461 254 R N -0.351 120.311 120.500 0.270 0.000 2.905 254 R HA 0.536 4.879 4.340 0.005 0.000 0.260 254 R C -0.911 175.467 176.300 0.130 0.000 1.086 254 R CA -1.042 55.072 56.100 0.024 0.000 0.978 254 R CB 1.951 32.021 30.300 -0.383 0.000 1.215 254 R HN -0.270 nan 8.270 nan 0.000 0.480 255 R N 0.356 120.878 120.500 0.036 0.000 2.707 255 R HA 0.285 4.628 4.340 0.005 0.000 0.272 255 R C -1.151 175.132 176.300 -0.028 0.000 1.011 255 R CA -0.999 55.150 56.100 0.082 0.000 0.893 255 R CB 1.423 31.808 30.300 0.143 0.000 1.233 255 R HN 0.668 nan 8.270 nan 0.000 0.464 256 H N 0.375 119.503 119.070 0.098 0.000 2.848 256 H HA 0.049 4.608 4.556 0.006 0.000 0.341 256 H C 0.997 176.322 175.328 -0.004 0.000 1.060 256 H CA 0.905 56.973 56.048 0.034 0.000 1.444 256 H CB 0.892 30.671 29.762 0.028 0.000 1.446 256 H HN 0.520 nan 8.280 nan 0.000 0.583 257 T N 1.589 116.190 114.554 0.077 0.000 2.674 257 T HA -0.193 4.161 4.350 0.005 0.000 0.265 257 T C 1.271 175.971 174.700 0.001 0.000 1.039 257 T CA 1.496 63.611 62.100 0.025 0.000 1.150 257 T CB -0.092 68.779 68.868 0.005 0.000 0.864 257 T HN 0.589 nan 8.240 nan 0.000 0.427 258 D N 1.941 122.327 120.400 -0.023 0.000 2.137 258 D HA -0.122 4.521 4.640 0.005 0.000 0.189 258 D C 1.940 178.174 176.300 -0.109 0.000 0.998 258 D CA 1.631 55.585 54.000 -0.077 0.000 0.839 258 D CB -0.391 40.338 40.800 -0.118 0.000 0.962 258 D HN 0.770 nan 8.370 nan 0.000 0.446 259 N N -1.715 116.875 118.700 -0.183 0.000 2.171 259 N HA 0.024 4.768 4.740 0.005 0.000 0.212 259 N C 0.069 175.557 175.510 -0.036 0.000 1.184 259 N CA 0.067 52.962 53.050 -0.258 0.000 0.888 259 N CB 0.540 38.564 38.487 -0.772 0.000 1.038 259 N HN 0.097 nan 8.380 nan 0.000 0.517 260 N N -0.336 118.399 118.700 0.058 0.000 2.901 260 N HA -0.150 4.594 4.740 0.005 0.000 0.248 260 N C -1.197 174.476 175.510 0.272 0.000 1.044 260 N CA -0.115 53.022 53.050 0.145 0.000 0.847 260 N CB -1.118 37.421 38.487 0.086 0.000 1.127 260 N HN 0.225 nan 8.380 nan 0.000 0.562 261 F N 0.585 120.554 119.950 0.032 0.000 2.410 261 F HA 0.161 4.691 4.527 0.005 0.000 0.334 261 F C 1.290 177.218 175.800 0.213 0.000 1.134 261 F CA -1.026 56.992 58.000 0.029 0.000 1.227 261 F CB 0.313 39.358 39.000 0.075 0.000 1.194 261 F HN -0.042 nan 8.300 nan 0.000 0.571 262 W N 3.524 125.038 121.300 0.356 0.000 2.148 262 W HA 0.056 4.719 4.660 0.005 0.000 0.347 262 W C -0.015 176.728 176.519 0.373 0.000 1.288 262 W CA -0.707 56.843 57.345 0.341 0.000 1.252 262 W CB 0.087 29.775 29.460 0.380 0.000 1.156 262 W HN 0.108 nan 8.180 nan 0.000 0.580 263 L N 3.109 124.617 121.223 0.475 0.000 2.397 263 L HA 0.045 4.388 4.340 0.005 0.000 0.271 263 L C 1.111 178.146 176.870 0.275 0.000 1.148 263 L CA 0.116 55.140 54.840 0.306 0.000 0.825 263 L CB 0.536 42.673 42.059 0.130 0.000 1.117 263 L HN 0.429 nan 8.230 nan 0.000 0.456 264 S N 1.991 117.849 115.700 0.263 0.000 2.645 264 S HA 0.132 4.605 4.470 0.005 0.000 0.266 264 S C 1.112 175.748 174.600 0.060 0.000 1.258 264 S CA -0.422 57.872 58.200 0.157 0.000 0.990 264 S CB 0.513 63.829 63.200 0.194 0.000 0.967 264 S HN 0.408 nan 8.310 nan 0.000 0.556 265 Y N 0.856 121.235 120.300 0.131 0.000 2.151 265 Y HA -0.121 4.432 4.550 0.005 0.000 0.284 265 Y C 2.780 178.803 175.900 0.204 0.000 1.166 265 Y CA 1.774 59.906 58.100 0.053 0.000 1.163 265 Y CB -0.593 37.990 38.460 0.205 0.000 0.974 265 Y HN 0.621 nan 8.280 nan 0.000 0.511 266 R N -0.076 120.655 120.500 0.386 0.000 2.115 266 R HA -0.117 4.227 4.340 0.005 0.000 0.226 266 R C 1.958 178.444 176.300 0.311 0.000 1.100 266 R CA 1.376 57.693 56.100 0.362 0.000 0.980 266 R CB -0.239 30.169 30.300 0.180 0.000 0.875 266 R HN 0.486 nan 8.270 nan 0.000 0.445 267 E N 0.479 120.825 120.200 0.245 0.000 2.285 267 E HA -0.095 4.259 4.350 0.005 0.000 0.194 267 E C 1.833 178.556 176.600 0.206 0.000 0.997 267 E CA 0.603 57.131 56.400 0.214 0.000 0.845 267 E CB 0.111 29.940 29.700 0.215 0.000 0.782 267 E HN 0.279 nan 8.360 nan 0.000 0.491 268 L N 0.392 121.730 121.223 0.192 0.000 2.179 268 L HA -0.030 4.313 4.340 0.005 0.000 0.208 268 L C 2.460 179.554 176.870 0.373 0.000 1.096 268 L CA 0.685 55.624 54.840 0.166 0.000 0.779 268 L CB -0.198 41.776 42.059 -0.141 0.000 0.922 268 L HN 0.107 nan 8.230 nan 0.000 0.443 269 A N -0.527 122.594 122.820 0.501 0.000 2.015 269 A HA -0.184 4.139 4.320 0.005 0.000 0.219 269 A C 1.820 179.525 177.584 0.203 0.000 1.163 269 A CA 1.652 53.909 52.037 0.367 0.000 0.646 269 A CB -0.291 18.927 19.000 0.362 0.000 0.806 269 A HN 0.344 nan 8.150 nan 0.000 0.448 270 D N -1.284 119.251 120.400 0.224 0.000 2.305 270 D HA 0.001 4.644 4.640 0.005 0.000 0.206 270 D C 1.875 178.264 176.300 0.149 0.000 0.974 270 D CA 0.834 54.933 54.000 0.166 0.000 0.871 270 D CB 0.136 41.034 40.800 0.164 0.000 0.947 270 D HN 0.628 nan 8.370 nan 0.000 0.516 271 Q N -0.473 119.435 119.800 0.181 0.000 2.511 271 Q HA 0.120 4.463 4.340 0.005 0.000 0.236 271 Q C 1.804 177.964 176.000 0.267 0.000 0.893 271 Q CA -0.044 55.889 55.803 0.218 0.000 0.947 271 Q CB 0.594 29.479 28.738 0.244 0.000 1.110 271 Q HN 0.032 nan 8.270 nan 0.000 0.591 272 L N 0.248 121.525 121.223 0.089 0.000 2.270 272 L HA 0.039 4.382 4.340 0.005 0.000 0.210 272 L C 1.786 178.667 176.870 0.017 0.000 1.104 272 L CA 0.910 55.597 54.840 -0.255 0.000 0.804 272 L CB 0.079 41.730 42.059 -0.681 0.000 0.937 272 L HN -0.055 nan 8.230 nan 0.000 0.450 273 V N 0.841 120.795 119.914 0.067 0.000 2.283 273 V HA -0.093 4.030 4.120 0.005 0.000 0.243 273 V C -0.060 176.087 176.094 0.087 0.000 1.039 273 V CA 1.951 64.258 62.300 0.012 0.000 1.016 273 V CB -1.688 30.075 31.823 -0.100 0.000 0.650 273 V HN 0.325 nan 8.190 nan 0.000 0.449 274 P HA -0.214 nan 4.420 nan 0.000 0.216 274 P C 1.543 178.994 177.300 0.251 0.000 1.150 274 P CA 1.647 64.843 63.100 0.161 0.000 0.843 274 P CB -0.128 31.655 31.700 0.139 0.000 0.787 275 Y N 0.728 121.138 120.300 0.182 0.000 2.114 275 Y HA -0.171 4.382 4.550 0.005 0.000 0.284 275 Y C 2.412 178.459 175.900 0.244 0.000 1.143 275 Y CA 1.861 60.118 58.100 0.263 0.000 1.135 275 Y CB -1.087 37.601 38.460 0.381 0.000 0.980 275 Y HN -0.123 nan 8.280 nan 0.000 0.499 276 A N 0.448 123.375 122.820 0.179 0.000 1.972 276 A HA -0.184 4.139 4.320 0.005 0.000 0.219 276 A C 2.313 179.975 177.584 0.130 0.000 1.169 276 A CA 1.786 53.873 52.037 0.083 0.000 0.635 276 A CB -0.655 18.418 19.000 0.121 0.000 0.810 276 A HN 0.420 nan 8.150 nan 0.000 0.446 277 K N -1.040 119.430 120.400 0.117 0.000 2.062 277 K HA -0.138 4.185 4.320 0.005 0.000 0.205 277 K C 1.953 178.610 176.600 0.095 0.000 1.051 277 K CA 1.177 57.523 56.287 0.099 0.000 0.941 277 K CB -0.338 32.220 32.500 0.097 0.000 0.719 277 K HN 0.816 nan 8.250 nan 0.000 0.440 278 W N 0.613 121.882 121.300 -0.052 0.000 2.409 278 W HA -0.144 4.520 4.660 0.005 0.000 0.299 278 W C 1.279 177.718 176.519 -0.133 0.000 1.203 278 W CA 0.481 57.784 57.345 -0.069 0.000 1.298 278 W CB 0.039 29.477 29.460 -0.037 0.000 1.127 278 W HN -0.033 nan 8.180 nan 0.000 0.528 279 M N 0.834 120.342 119.600 -0.153 0.000 2.632 279 M HA 0.004 4.488 4.480 0.005 0.000 0.256 279 M C 1.837 177.862 176.300 -0.458 0.000 1.080 279 M CA 1.715 56.821 55.300 -0.322 0.000 1.084 279 M CB -1.729 30.693 32.600 -0.296 0.000 1.439 279 M HN 0.326 nan 8.290 nan 0.000 0.509 280 G N 0.017 108.631 108.800 -0.309 0.000 2.157 280 G HA2 -0.256 3.707 3.960 0.005 0.000 0.248 280 G HA3 -0.256 3.707 3.960 0.005 0.000 0.248 280 G C 0.059 174.839 174.900 -0.199 0.000 0.979 280 G CA -0.361 44.574 45.100 -0.275 0.000 0.650 280 G HN 0.409 nan 8.290 nan 0.000 0.529 281 F N 1.015 120.960 119.950 -0.008 0.000 2.506 281 F HA 0.395 4.925 4.527 0.005 0.000 0.351 281 F C 2.117 177.964 175.800 0.079 0.000 1.136 281 F CA 0.993 59.041 58.000 0.078 0.000 1.298 281 F CB 0.989 40.041 39.000 0.088 0.000 1.145 281 F HN 0.110 nan 8.300 nan 0.000 0.593 282 T N -2.590 112.163 114.554 0.333 0.000 3.040 282 T HA 0.130 4.484 4.350 0.005 0.000 0.252 282 T C 0.383 175.184 174.700 0.168 0.000 1.064 282 T CA 0.393 62.630 62.100 0.228 0.000 1.110 282 T CB -0.183 68.856 68.868 0.284 0.000 0.921 282 T HN 0.513 nan 8.240 nan 0.000 0.480 283 H N -0.280 118.880 119.070 0.150 0.000 2.747 283 H HA 0.637 5.196 4.556 0.005 0.000 0.371 283 H C -1.616 173.768 175.328 0.093 0.000 1.161 283 H CA -1.025 55.079 56.048 0.093 0.000 1.167 283 H CB 2.313 32.112 29.762 0.062 0.000 1.732 283 H HN 0.038 nan 8.280 nan 0.000 0.544 284 L N 2.028 123.339 121.223 0.145 0.000 2.333 284 L HA 0.230 4.573 4.340 0.005 0.000 0.280 284 L C -0.161 176.769 176.870 0.100 0.000 1.004 284 L CA -0.283 54.616 54.840 0.099 0.000 0.820 284 L CB 1.542 43.627 42.059 0.044 0.000 1.247 284 L HN 0.667 nan 8.230 nan 0.000 0.416 285 E N 4.810 125.053 120.200 0.072 0.000 2.145 285 E HA 0.515 4.868 4.350 0.005 0.000 0.270 285 E C -1.568 175.059 176.600 0.045 0.000 0.906 285 E CA -0.546 55.905 56.400 0.085 0.000 0.761 285 E CB 0.952 30.729 29.700 0.129 0.000 1.116 285 E HN 0.588 nan 8.360 nan 0.000 0.408 286 L N 4.637 125.886 121.223 0.043 0.000 2.289 286 L HA 0.353 4.696 4.340 0.005 0.000 0.285 286 L C -0.219 176.636 176.870 -0.025 0.000 1.049 286 L CA -1.126 53.712 54.840 -0.003 0.000 0.804 286 L CB 0.709 42.769 42.059 0.002 0.000 1.195 286 L HN 0.506 nan 8.230 nan 0.000 0.428 287 L N 4.769 125.967 121.223 -0.041 0.000 2.483 287 L HA 0.164 4.507 4.340 0.005 0.000 0.276 287 L C -1.902 174.856 176.870 -0.187 0.000 1.213 287 L CA -0.856 53.925 54.840 -0.098 0.000 0.843 287 L CB -0.379 41.672 42.059 -0.013 0.000 1.107 287 L HN 0.359 nan 8.230 nan 0.000 0.487 288 P HA -0.123 nan 4.420 nan 0.000 0.257 288 P C 0.028 177.170 177.300 -0.263 0.000 1.153 288 P CA 0.413 63.310 63.100 -0.338 0.000 0.762 288 P CB 0.070 31.478 31.700 -0.486 0.000 0.743 289 I N 0.077 120.480 120.570 -0.279 0.000 3.891 289 I HA 0.189 4.362 4.170 0.005 0.000 0.331 289 I C 0.207 176.232 176.117 -0.154 0.000 1.406 289 I CA -1.213 59.955 61.300 -0.219 0.000 1.139 289 I CB -1.580 36.170 38.000 -0.418 0.000 1.056 289 I HN 0.033 nan 8.210 nan 0.000 0.399 290 N N 0.973 119.627 118.700 -0.076 0.000 2.482 290 N HA 0.070 4.813 4.740 0.005 0.000 0.260 290 N C 0.136 175.770 175.510 0.208 0.000 1.236 290 N CA -0.219 52.905 53.050 0.124 0.000 0.938 290 N CB 0.390 38.975 38.487 0.165 0.000 1.128 290 N HN 0.076 nan 8.380 nan 0.000 0.448 291 E N 1.007 121.308 120.200 0.168 0.000 2.417 291 E HA -0.012 4.341 4.350 0.005 0.000 0.261 291 E C -0.511 176.165 176.600 0.127 0.000 1.000 291 E CA 0.278 56.728 56.400 0.084 0.000 0.919 291 E CB -0.176 29.550 29.700 0.043 0.000 0.955 291 E HN 0.767 nan 8.360 nan 0.000 0.455 292 H N 2.876 121.903 119.070 -0.072 0.000 2.894 292 H HA 0.332 4.892 4.556 0.006 0.000 0.367 292 H C -2.485 172.759 175.328 -0.140 0.000 1.144 292 H CA -2.067 53.937 56.048 -0.075 0.000 1.180 292 H CB 1.549 31.288 29.762 -0.038 0.000 1.758 292 H HN 0.204 nan 8.280 nan 0.000 0.541 293 P HA 0.067 nan 4.420 nan 0.000 0.224 293 P C -0.282 176.605 177.300 -0.688 0.000 1.157 293 P CA 0.618 63.398 63.100 -0.534 0.000 0.799 293 P CB 0.418 31.682 31.700 -0.727 0.000 0.809 294 F N -0.019 119.980 119.950 0.082 0.000 2.520 294 F HA 0.267 4.797 4.527 0.006 0.000 0.322 294 F C 1.140 177.057 175.800 0.195 0.000 1.103 294 F CA -0.936 57.127 58.000 0.105 0.000 0.926 294 F CB 1.330 40.371 39.000 0.069 0.000 1.154 294 F HN -0.366 nan 8.300 nan 0.000 0.453 295 D N 1.561 122.206 120.400 0.407 0.000 2.219 295 D HA -0.043 4.600 4.640 0.005 0.000 0.205 295 D C 2.240 178.686 176.300 0.244 0.000 0.970 295 D CA 1.026 55.296 54.000 0.450 0.000 0.851 295 D CB -0.268 40.889 40.800 0.595 0.000 0.943 295 D HN 0.785 nan 8.370 nan 0.000 0.488 296 G N 0.514 109.369 108.800 0.092 0.000 2.509 296 G HA2 -0.206 3.758 3.960 0.005 0.000 0.218 296 G HA3 -0.206 3.758 3.960 0.005 0.000 0.218 296 G C 1.579 176.179 174.900 -0.500 0.000 1.124 296 G CA 1.038 45.951 45.100 -0.312 0.000 0.776 296 G HN 0.416 nan 8.290 nan 0.000 0.547 297 S N -1.136 114.450 115.700 -0.189 0.000 2.522 297 S HA -0.061 4.412 4.470 0.005 0.000 0.227 297 S C 1.328 175.832 174.600 -0.161 0.000 0.986 297 S CA 0.876 58.936 58.200 -0.234 0.000 0.929 297 S CB -0.519 62.671 63.200 -0.016 0.000 0.769 297 S HN 0.621 nan 8.310 nan 0.000 0.529 298 W N 0.295 121.589 121.300 -0.009 0.000 2.612 298 W HA -0.240 4.423 4.660 0.005 0.000 0.266 298 W C 1.259 177.651 176.519 -0.212 0.000 1.034 298 W CA 0.586 57.939 57.345 0.013 0.000 0.531 298 W CB -2.398 27.117 29.460 0.092 0.000 2.052 298 W HN 1.043 nan 8.180 nan 0.000 1.427 299 G N -2.540 106.028 108.800 -0.386 0.000 2.227 299 G HA2 -0.262 3.701 3.960 0.005 0.000 0.168 299 G HA3 -0.262 3.701 3.960 0.005 0.000 0.168 299 G C 0.285 174.776 174.900 -0.682 0.000 1.006 299 G CA 0.009 44.497 45.100 -1.021 0.000 0.684 299 G HN 0.345 nan 8.290 nan 0.000 0.489 300 Y N 0.918 121.071 120.300 -0.245 0.000 2.466 300 Y HA 0.377 4.930 4.550 0.005 0.000 0.272 300 Y C 1.666 177.380 175.900 -0.310 0.000 1.169 300 Y CA 0.647 58.558 58.100 -0.315 0.000 1.285 300 Y CB 0.658 38.868 38.460 -0.416 0.000 1.078 300 Y HN 0.287 nan 8.280 nan 0.000 0.523 301 Q N 2.117 121.884 119.800 -0.055 0.000 2.644 301 Q HA 0.243 4.586 4.340 0.005 0.000 0.245 301 Q C -2.643 173.395 176.000 0.063 0.000 1.064 301 Q CA -2.131 53.690 55.803 0.029 0.000 0.860 301 Q CB 1.129 29.911 28.738 0.073 0.000 1.145 301 Q HN 0.069 nan 8.270 nan 0.000 0.515 302 P HA 0.165 nan 4.420 nan 0.000 0.278 302 P C 0.175 177.506 177.300 0.051 0.000 1.258 302 P CA -0.222 62.919 63.100 0.068 0.000 0.811 302 P CB 1.696 33.428 31.700 0.053 0.000 1.063 303 T N -3.452 111.135 114.554 0.054 0.000 2.980 303 T HA 0.345 4.699 4.350 0.005 0.000 0.252 303 T C 0.836 175.555 174.700 0.032 0.000 0.962 303 T CA 0.036 62.147 62.100 0.018 0.000 0.932 303 T CB -0.279 68.593 68.868 0.006 0.000 1.188 303 T HN 0.544 nan 8.240 nan 0.000 0.500 304 G N 0.947 109.792 108.800 0.075 0.000 2.730 304 G HA2 0.596 4.559 3.960 0.005 0.000 0.291 304 G HA3 0.596 4.559 3.960 0.005 0.000 0.291 304 G C 0.220 175.218 174.900 0.165 0.000 1.456 304 G CA -0.591 44.580 45.100 0.117 0.000 0.996 304 G HN 0.263 nan 8.290 nan 0.000 0.528 305 L N 1.438 122.763 121.223 0.170 0.000 2.313 305 L HA 0.064 4.407 4.340 0.005 0.000 0.214 305 L C 1.364 178.297 176.870 0.104 0.000 1.119 305 L CA 0.847 55.759 54.840 0.120 0.000 0.809 305 L CB 0.048 42.076 42.059 -0.052 0.000 0.933 305 L HN 0.616 nan 8.230 nan 0.000 0.449 306 Y N -0.374 119.937 120.300 0.019 0.000 2.458 306 Y HA 0.355 4.908 4.550 0.005 0.000 0.256 306 Y C 0.890 176.869 175.900 0.131 0.000 1.159 306 Y CA -0.370 57.625 58.100 -0.175 0.000 1.261 306 Y CB 0.391 38.618 38.460 -0.389 0.000 1.119 306 Y HN -0.023 nan 8.280 nan 0.000 0.524 307 A N 0.899 123.933 122.820 0.358 0.000 2.304 307 A HA 0.602 4.926 4.320 0.005 0.000 0.314 307 A C -2.818 174.964 177.584 0.329 0.000 1.187 307 A CA -1.923 50.325 52.037 0.352 0.000 0.810 307 A CB 0.572 19.717 19.000 0.243 0.000 1.183 307 A HN -0.117 nan 8.150 nan 0.000 0.487 308 P HA 0.126 nan 4.420 nan 0.000 0.271 308 P C 0.519 177.875 177.300 0.093 0.000 1.216 308 P CA 0.246 63.394 63.100 0.080 0.000 0.771 308 P CB 0.622 32.245 31.700 -0.129 0.000 0.864 309 T N 2.154 116.723 114.554 0.026 0.000 2.939 309 T HA -0.067 4.286 4.350 0.005 0.000 0.319 309 T C 1.229 175.881 174.700 -0.080 0.000 1.082 309 T CA 0.199 62.252 62.100 -0.079 0.000 1.133 309 T CB 0.118 68.844 68.868 -0.237 0.000 1.019 309 T HN 0.273 nan 8.240 nan 0.000 0.548 310 R N 2.006 122.411 120.500 -0.160 0.000 2.317 310 R HA 0.286 4.629 4.340 0.005 0.000 0.208 310 R C 2.402 178.522 176.300 -0.299 0.000 0.914 310 R CA 0.557 56.588 56.100 -0.116 0.000 1.060 310 R CB -0.098 30.167 30.300 -0.058 0.000 1.015 310 R HN 0.665 nan 8.270 nan 0.000 0.498 311 R N -1.025 119.087 120.500 -0.646 0.000 2.127 311 R HA -0.112 4.231 4.340 0.005 0.000 0.238 311 R C 0.353 176.041 176.300 -1.020 0.000 1.134 311 R CA 1.586 57.039 56.100 -1.079 0.000 0.975 311 R CB -0.021 29.037 30.300 -2.070 0.000 0.865 311 R HN 0.270 nan 8.270 nan 0.000 0.447 312 F N -1.220 118.422 119.950 -0.513 0.000 2.683 312 F HA 0.391 4.922 4.527 0.006 0.000 0.306 312 F C 0.896 176.440 175.800 -0.426 0.000 1.102 312 F CA -0.026 57.607 58.000 -0.613 0.000 1.244 312 F CB 1.459 39.767 39.000 -1.152 0.000 1.029 312 F HN 0.084 nan 8.300 nan 0.000 0.545 313 G N 0.520 109.292 108.800 -0.047 0.000 2.293 313 G HA2 0.144 4.108 3.960 0.005 0.000 0.282 313 G HA3 0.144 4.108 3.960 0.005 0.000 0.282 313 G C -0.477 174.602 174.900 0.298 0.000 1.299 313 G CA -0.600 44.606 45.100 0.176 0.000 1.018 313 G HN 0.189 nan 8.290 nan 0.000 0.478 314 T N -2.013 112.735 114.554 0.324 0.000 2.788 314 T HA 0.512 4.865 4.350 0.005 0.000 0.280 314 T C 1.695 176.628 174.700 0.388 0.000 0.984 314 T CA 0.821 63.101 62.100 0.299 0.000 0.972 314 T CB 1.301 70.304 68.868 0.224 0.000 1.039 314 T HN 1.382 nan 8.240 nan 0.000 0.530 315 R N -0.010 120.699 120.500 0.348 0.000 2.189 315 R HA 0.060 4.403 4.340 0.005 0.000 0.218 315 R C 1.444 177.999 176.300 0.424 0.000 1.074 315 R CA 1.267 57.621 56.100 0.424 0.000 0.991 315 R CB -0.765 29.819 30.300 0.474 0.000 0.883 315 R HN 0.595 nan 8.270 nan 0.000 0.457 316 D N 0.985 121.564 120.400 0.298 0.000 2.183 316 D HA -0.100 4.543 4.640 0.005 0.000 0.203 316 D C 0.852 177.300 176.300 0.247 0.000 0.969 316 D CA 1.079 55.213 54.000 0.224 0.000 0.842 316 D CB -0.112 40.779 40.800 0.153 0.000 0.957 316 D HN 0.269 nan 8.370 nan 0.000 0.484 317 D N 0.228 120.799 120.400 0.286 0.000 2.097 317 D HA -0.165 4.479 4.640 0.005 0.000 0.195 317 D C 1.880 178.370 176.300 0.316 0.000 0.989 317 D CA 0.470 54.675 54.000 0.343 0.000 0.827 317 D CB -0.538 40.532 40.800 0.450 0.000 0.966 317 D HN 0.192 nan 8.370 nan 0.000 0.456 318 F N 2.298 122.153 119.950 -0.157 0.000 2.069 318 F HA -0.207 4.323 4.527 0.005 0.000 0.298 318 F C 2.396 178.200 175.800 0.006 0.000 1.113 318 F CA 1.350 58.978 58.000 -0.619 0.000 1.214 318 F CB -0.354 38.117 39.000 -0.882 0.000 0.978 318 F HN -0.224 nan 8.300 nan 0.000 0.474 319 R N -0.254 120.284 120.500 0.065 0.000 2.119 319 R HA -0.294 4.049 4.340 0.005 0.000 0.246 319 R C 2.215 178.489 176.300 -0.042 0.000 1.146 319 R CA 2.275 58.385 56.100 0.017 0.000 0.962 319 R CB -1.820 28.528 30.300 0.079 0.000 0.863 319 R HN 0.540 nan 8.270 nan 0.000 0.442 320 Y N -0.319 119.966 120.300 -0.025 0.000 2.293 320 Y HA -0.158 4.396 4.550 0.006 0.000 0.291 320 Y C 1.846 177.739 175.900 -0.012 0.000 1.137 320 Y CA 1.846 59.944 58.100 -0.002 0.000 1.202 320 Y CB -0.454 38.051 38.460 0.075 0.000 0.990 320 Y HN 0.198 nan 8.280 nan 0.000 0.537 321 F N -0.037 119.868 119.950 -0.074 0.000 2.146 321 F HA -0.204 4.326 4.527 0.005 0.000 0.298 321 F C 1.800 177.396 175.800 -0.339 0.000 1.096 321 F CA 1.336 59.250 58.000 -0.143 0.000 1.275 321 F CB -0.210 38.793 39.000 0.004 0.000 1.008 321 F HN -0.030 nan 8.300 nan 0.000 0.480 322 I N 0.574 120.810 120.570 -0.556 0.000 2.315 322 I HA -0.229 3.944 4.170 0.005 0.000 0.248 322 I C 1.956 177.593 176.117 -0.800 0.000 1.117 322 I CA 1.189 62.037 61.300 -0.753 0.000 1.404 322 I CB -1.484 36.128 38.000 -0.647 0.000 1.071 322 I HN 0.186 nan 8.210 nan 0.000 0.419 323 D N 1.387 121.462 120.400 -0.543 0.000 2.117 323 D HA -0.123 4.521 4.640 0.005 0.000 0.197 323 D C 2.280 178.329 176.300 -0.418 0.000 0.987 323 D CA 1.647 55.404 54.000 -0.406 0.000 0.829 323 D CB 0.047 40.673 40.800 -0.291 0.000 0.961 323 D HN 0.294 nan 8.370 nan 0.000 0.460 324 A N 1.137 123.632 122.820 -0.542 0.000 1.933 324 A HA -0.071 4.253 4.320 0.005 0.000 0.218 324 A C 2.321 179.678 177.584 -0.379 0.000 1.175 324 A CA 2.196 53.960 52.037 -0.454 0.000 0.628 324 A CB -0.578 18.127 19.000 -0.492 0.000 0.814 324 A HN 0.248 nan 8.150 nan 0.000 0.444 325 A N -0.848 121.652 122.820 -0.533 0.000 1.930 325 A HA -0.135 4.189 4.320 0.005 0.000 0.217 325 A C 1.906 179.349 177.584 -0.234 0.000 1.175 325 A CA 1.572 53.343 52.037 -0.444 0.000 0.627 325 A CB -0.918 17.710 19.000 -0.620 0.000 0.815 325 A HN 0.760 nan 8.150 nan 0.000 0.443 326 H N -0.705 118.210 119.070 -0.258 0.000 2.326 326 H HA 0.008 4.567 4.556 0.005 0.000 0.301 326 H C 2.465 177.698 175.328 -0.158 0.000 1.081 326 H CA 0.720 56.652 56.048 -0.194 0.000 1.334 326 H CB -0.007 29.647 29.762 -0.180 0.000 1.385 326 H HN 0.547 nan 8.280 nan 0.000 0.504 327 A N 0.944 123.739 122.820 -0.043 0.000 2.076 327 A HA -0.081 4.242 4.320 0.005 0.000 0.220 327 A C 2.272 179.823 177.584 -0.055 0.000 1.160 327 A CA 1.370 53.370 52.037 -0.061 0.000 0.653 327 A CB -0.514 18.428 19.000 -0.096 0.000 0.801 327 A HN 0.483 nan 8.150 nan 0.000 0.455 328 A N -2.168 120.611 122.820 -0.067 0.000 2.308 328 A HA 0.453 4.776 4.320 0.005 0.000 0.217 328 A C 1.612 179.178 177.584 -0.030 0.000 1.216 328 A CA 1.035 53.047 52.037 -0.042 0.000 0.864 328 A CB -0.602 18.370 19.000 -0.045 0.000 0.902 328 A HN 1.830 nan 8.150 nan 0.000 0.499 329 G N -0.927 107.850 108.800 -0.038 0.000 2.132 329 G HA2 -0.177 3.786 3.960 0.005 0.000 0.228 329 G HA3 -0.177 3.786 3.960 0.005 0.000 0.228 329 G C -0.100 174.768 174.900 -0.053 0.000 1.000 329 G CA 0.236 45.310 45.100 -0.042 0.000 0.693 329 G HN 0.427 nan 8.290 nan 0.000 0.515 330 L N 0.324 121.512 121.223 -0.058 0.000 2.322 330 L HA 0.460 4.803 4.340 0.005 0.000 0.279 330 L C 0.686 177.490 176.870 -0.110 0.000 1.036 330 L CA -0.935 53.853 54.840 -0.087 0.000 0.807 330 L CB 1.274 43.289 42.059 -0.072 0.000 1.226 330 L HN 0.129 nan 8.230 nan 0.000 0.433 331 N N 0.598 119.118 118.700 -0.299 0.000 2.493 331 N HA 0.482 5.225 4.740 0.005 0.000 0.275 331 N C -1.218 174.191 175.510 -0.168 0.000 1.186 331 N CA -0.554 52.306 53.050 -0.317 0.000 0.978 331 N CB 2.209 40.246 38.487 -0.750 0.000 1.184 331 N HN 0.160 nan 8.380 nan 0.000 0.487 332 V N 2.575 122.475 119.914 -0.023 0.000 2.444 332 V HA 0.421 4.544 4.120 0.005 0.000 0.294 332 V C -0.086 176.054 176.094 0.076 0.000 1.022 332 V CA -0.645 61.666 62.300 0.018 0.000 0.850 332 V CB 1.330 33.131 31.823 -0.036 0.000 0.992 332 V HN 0.495 nan 8.190 nan 0.000 0.426 333 I N 5.645 126.285 120.570 0.116 0.000 2.336 333 I HA 0.423 4.596 4.170 0.005 0.000 0.292 333 I C -0.581 175.576 176.117 0.068 0.000 0.991 333 I CA -0.593 60.774 61.300 0.112 0.000 1.227 333 I CB 1.589 39.683 38.000 0.156 0.000 1.366 333 I HN 0.417 nan 8.210 nan 0.000 0.466 334 L N 6.217 127.450 121.223 0.018 0.000 2.296 334 L HA 0.475 4.819 4.340 0.005 0.000 0.286 334 L C -0.548 176.318 176.870 -0.007 0.000 1.023 334 L CA -0.108 54.700 54.840 -0.055 0.000 0.812 334 L CB 1.148 43.078 42.059 -0.215 0.000 1.223 334 L HN 0.390 nan 8.230 nan 0.000 0.421 335 D N 4.175 124.579 120.400 0.008 0.000 2.434 335 D HA 0.121 4.764 4.640 0.005 0.000 0.252 335 D C -1.328 175.050 176.300 0.131 0.000 1.185 335 D CA 0.815 54.868 54.000 0.089 0.000 0.886 335 D CB 0.210 41.046 40.800 0.061 0.000 1.148 335 D HN 0.477 nan 8.370 nan 0.000 0.483 336 W N 3.860 125.164 121.300 0.006 0.000 2.573 336 W HA 0.486 5.149 4.660 0.005 0.000 0.326 336 W C -1.277 175.325 176.519 0.137 0.000 1.049 336 W CA -1.086 56.275 57.345 0.027 0.000 1.220 336 W CB 1.190 30.692 29.460 0.070 0.000 1.373 336 W HN 0.043 nan 8.180 nan 0.000 0.507 337 V N 8.370 128.179 119.914 -0.175 0.000 2.266 337 V HA 0.237 4.360 4.120 0.005 0.000 0.266 337 V C -1.945 173.983 176.094 -0.276 0.000 1.036 337 V CA -1.075 61.182 62.300 -0.071 0.000 0.828 337 V CB 0.985 32.873 31.823 0.108 0.000 1.081 337 V HN 0.484 nan 8.190 nan 0.000 0.449 338 P HA 0.211 nan 4.420 nan 0.000 0.275 338 P C 1.385 178.724 177.300 0.065 0.000 1.310 338 P CA 0.362 63.273 63.100 -0.314 0.000 0.904 338 P CB 0.827 32.203 31.700 -0.540 0.000 1.381 339 G N -1.135 107.705 108.800 0.067 0.000 2.939 339 G HA2 -0.015 3.948 3.960 0.005 0.000 0.210 339 G HA3 -0.015 3.948 3.960 0.005 0.000 0.210 339 G C -0.227 174.590 174.900 -0.139 0.000 1.160 339 G CA 0.179 45.283 45.100 0.006 0.000 0.770 339 G HN 0.324 nan 8.290 nan 0.000 0.543 340 H N -0.907 118.277 119.070 0.191 0.000 2.708 340 H HA 0.410 4.969 4.556 0.005 0.000 0.320 340 H C -1.281 174.132 175.328 0.142 0.000 0.991 340 H CA -0.907 55.234 56.048 0.154 0.000 1.243 340 H CB 1.442 31.279 29.762 0.124 0.000 1.446 340 H HN 0.073 nan 8.280 nan 0.000 0.502 341 F N 4.474 124.397 119.950 -0.046 0.000 2.429 341 F HA 0.297 4.827 4.527 0.005 0.000 0.348 341 F C -1.926 173.796 175.800 -0.129 0.000 1.109 341 F CA -2.491 55.294 58.000 -0.358 0.000 1.232 341 F CB 0.876 39.519 39.000 -0.594 0.000 1.157 341 F HN 0.385 nan 8.300 nan 0.000 0.564 342 P HA -0.054 nan 4.420 nan 0.000 0.252 342 P C -0.352 177.003 177.300 0.092 0.000 1.183 342 P CA 0.565 63.538 63.100 -0.211 0.000 0.973 342 P CB 0.117 31.571 31.700 -0.409 0.000 0.990 343 T N 2.911 117.561 114.554 0.160 0.000 3.278 343 T HA 0.223 4.576 4.350 0.005 0.000 0.246 343 T C -0.736 174.064 174.700 0.166 0.000 1.281 343 T CA -0.329 61.884 62.100 0.190 0.000 1.281 343 T CB -0.851 68.116 68.868 0.165 0.000 1.064 343 T HN 0.118 nan 8.240 nan 0.000 0.628 344 D N 1.082 121.578 120.400 0.161 0.000 2.836 344 D HA 0.230 4.874 4.640 0.005 0.000 0.215 344 D C -0.322 176.068 176.300 0.149 0.000 1.255 344 D CA -0.200 53.902 54.000 0.170 0.000 0.822 344 D CB 1.725 42.631 40.800 0.177 0.000 1.656 344 D HN 0.088 nan 8.370 nan 0.000 0.511 345 D N 0.739 121.235 120.400 0.159 0.000 3.059 345 D HA -0.266 4.377 4.640 0.005 0.000 0.213 345 D C 0.498 176.942 176.300 0.240 0.000 1.144 345 D CA 1.081 55.161 54.000 0.134 0.000 0.975 345 D CB -1.191 39.641 40.800 0.053 0.000 1.125 345 D HN 0.689 nan 8.370 nan 0.000 0.412 346 F N -2.604 117.370 119.950 0.040 0.000 3.043 346 F HA -0.343 4.187 4.527 0.005 0.000 0.290 346 F C 1.433 177.265 175.800 0.052 0.000 0.844 346 F CA 0.670 58.697 58.000 0.045 0.000 1.184 346 F CB -1.060 37.952 39.000 0.020 0.000 1.246 346 F HN 0.205 nan 8.300 nan 0.000 0.536 347 A N -0.575 122.288 122.820 0.071 0.000 2.016 347 A HA 0.149 4.472 4.320 0.005 0.000 0.217 347 A C 1.534 179.102 177.584 -0.026 0.000 1.162 347 A CA 1.740 53.789 52.037 0.020 0.000 0.662 347 A CB 0.020 19.021 19.000 0.002 0.000 0.812 347 A HN 0.501 nan 8.150 nan 0.000 0.450 348 L N -3.049 118.122 121.223 -0.087 0.000 3.500 348 L HA 0.462 4.805 4.340 0.005 0.000 0.320 348 L C 0.716 177.657 176.870 0.119 0.000 1.205 348 L CA 0.706 55.463 54.840 -0.139 0.000 1.117 348 L CB 0.326 42.034 42.059 -0.585 0.000 1.542 348 L HN 0.225 nan 8.230 nan 0.000 0.622 349 A N -0.166 122.690 122.820 0.059 0.000 2.340 349 A HA 0.503 4.826 4.320 0.005 0.000 0.268 349 A C 0.362 177.775 177.584 -0.285 0.000 1.100 349 A CA -0.087 51.945 52.037 -0.007 0.000 0.803 349 A CB 0.099 19.095 19.000 -0.006 0.000 1.043 349 A HN 0.310 nan 8.150 nan 0.000 0.488 350 E N 0.138 120.263 120.200 -0.125 0.000 2.160 350 E HA -0.245 4.108 4.350 0.005 0.000 0.180 350 E C 0.017 176.544 176.600 -0.122 0.000 1.452 350 E CA 0.664 57.002 56.400 -0.104 0.000 0.683 350 E CB -1.366 28.296 29.700 -0.064 0.000 1.072 350 E HN 0.691 nan 8.360 nan 0.000 0.332 351 F N 1.616 121.489 119.950 -0.128 0.000 2.022 351 F HA -0.152 4.378 4.527 0.005 0.000 0.293 351 F C 2.095 177.846 175.800 -0.083 0.000 1.142 351 F CA 2.045 59.982 58.000 -0.104 0.000 1.177 351 F CB 0.144 39.153 39.000 0.015 0.000 0.982 351 F HN 0.335 nan 8.300 nan 0.000 0.473 352 D N -1.360 119.072 120.400 0.054 0.000 2.339 352 D HA 0.210 4.853 4.640 0.005 0.000 0.217 352 D C 1.661 177.936 176.300 -0.040 0.000 1.050 352 D CA 0.921 54.894 54.000 -0.044 0.000 0.856 352 D CB 0.123 40.936 40.800 0.022 0.000 0.922 352 D HN 0.533 nan 8.370 nan 0.000 0.518 353 G N -0.181 108.603 108.800 -0.027 0.000 2.316 353 G HA2 -0.199 3.764 3.960 0.005 0.000 0.203 353 G HA3 -0.199 3.764 3.960 0.005 0.000 0.203 353 G C 0.499 175.400 174.900 0.001 0.000 0.999 353 G CA 0.154 45.250 45.100 -0.007 0.000 0.649 353 G HN 0.735 nan 8.290 nan 0.000 0.489 354 T N -1.390 113.161 114.554 -0.006 0.000 2.937 354 T HA 0.557 4.910 4.350 0.005 0.000 0.283 354 T C 0.130 174.825 174.700 -0.008 0.000 1.012 354 T CA -0.163 61.929 62.100 -0.012 0.000 0.997 354 T CB 1.387 70.238 68.868 -0.029 0.000 1.136 354 T HN 0.178 nan 8.240 nan 0.000 0.551 355 N N 1.269 119.957 118.700 -0.021 0.000 2.819 355 N HA 0.163 4.907 4.740 0.005 0.000 0.284 355 N C 1.164 176.657 175.510 -0.027 0.000 1.196 355 N CA -0.299 52.734 53.050 -0.028 0.000 1.114 355 N CB -0.053 38.401 38.487 -0.054 0.000 1.437 355 N HN 0.417 nan 8.380 nan 0.000 0.518 356 L N 0.449 121.677 121.223 0.008 0.000 1.948 356 L HA -0.233 4.110 4.340 0.005 0.000 0.212 356 L C 1.105 177.955 176.870 -0.033 0.000 1.074 356 L CA 1.834 56.629 54.840 -0.075 0.000 0.753 356 L CB -0.185 41.829 42.059 -0.074 0.000 0.888 356 L HN 0.581 nan 8.230 nan 0.000 0.432 357 Y N -0.756 119.604 120.300 0.101 0.000 2.503 357 Y HA -0.004 4.549 4.550 0.005 0.000 0.278 357 Y C 1.497 177.484 175.900 0.144 0.000 1.111 357 Y CA -0.466 57.774 58.100 0.232 0.000 1.270 357 Y CB 0.239 38.915 38.460 0.359 0.000 1.063 357 Y HN 0.295 nan 8.280 nan 0.000 0.548 358 E N -0.232 119.979 120.200 0.019 0.000 2.267 358 E HA 0.154 4.507 4.350 0.005 0.000 0.258 358 E C -0.816 175.666 176.600 -0.197 0.000 1.074 358 E CA -0.472 55.727 56.400 -0.334 0.000 0.915 358 E CB 0.750 30.038 29.700 -0.687 0.000 1.186 358 E HN 0.157 nan 8.360 nan 0.000 0.439 359 H N -0.531 118.420 119.070 -0.199 0.000 2.517 359 H HA 0.481 5.041 4.556 0.005 0.000 0.346 359 H C -0.218 175.060 175.328 -0.082 0.000 1.222 359 H CA -0.068 55.919 56.048 -0.102 0.000 1.314 359 H CB 1.626 31.339 29.762 -0.082 0.000 1.609 359 H HN 0.624 nan 8.280 nan 0.000 0.571 373 L N 4.401 125.573 121.223 -0.086 0.000 2.385 373 L HA 0.548 4.891 4.340 0.005 0.000 0.281 373 L C 0.169 176.887 176.870 -0.254 0.000 1.106 373 L CA -0.065 54.642 54.840 -0.222 0.000 0.856 373 L CB -0.219 41.694 42.059 -0.245 0.000 1.186 373 L HN 0.447 nan 8.230 nan 0.000 0.453 374 I N -1.179 119.220 120.570 -0.284 0.000 3.067 374 I HA 0.536 4.709 4.170 0.005 0.000 0.312 374 I C -0.543 175.407 176.117 -0.278 0.000 1.073 374 I CA -1.113 60.079 61.300 -0.180 0.000 1.016 374 I CB 1.478 39.463 38.000 -0.024 0.000 1.227 374 I HN 0.208 nan 8.210 nan 0.000 0.456 375 Y N 1.241 121.458 120.300 -0.139 0.000 2.357 375 Y HA 0.105 4.658 4.550 0.005 0.000 0.340 375 Y C 0.895 176.600 175.900 -0.324 0.000 1.260 375 Y CA 0.138 58.062 58.100 -0.293 0.000 1.425 375 Y CB 0.516 38.513 38.460 -0.773 0.000 1.326 375 Y HN 0.591 nan 8.280 nan 0.000 0.580 376 N N 2.179 120.856 118.700 -0.039 0.000 3.105 376 N HA 0.051 4.794 4.740 0.005 0.000 0.256 376 N C -0.332 175.142 175.510 -0.060 0.000 1.174 376 N CA -0.199 52.774 53.050 -0.127 0.000 1.030 376 N CB -0.023 38.262 38.487 -0.337 0.000 1.305 376 N HN 0.665 nan 8.380 nan 0.000 0.509 377 Y N 0.661 121.037 120.300 0.125 0.000 2.651 377 Y HA -0.032 4.521 4.550 0.005 0.000 0.293 377 Y C 2.278 178.242 175.900 0.106 0.000 1.151 377 Y CA 0.713 58.830 58.100 0.028 0.000 1.362 377 Y CB 0.000 38.431 38.460 -0.048 0.000 0.973 377 Y HN 0.503 nan 8.280 nan 0.000 0.561 378 G N 0.151 109.081 108.800 0.217 0.000 2.394 378 G HA2 -0.121 3.842 3.960 0.005 0.000 0.214 378 G HA3 -0.121 3.842 3.960 0.005 0.000 0.214 378 G C 0.831 175.793 174.900 0.103 0.000 1.176 378 G CA -0.204 44.992 45.100 0.161 0.000 0.786 378 G HN 0.195 nan 8.290 nan 0.000 0.533 379 R N -0.229 120.305 120.500 0.057 0.000 2.756 379 R HA 0.172 4.515 4.340 0.005 0.000 0.264 379 R C 1.740 178.059 176.300 0.031 0.000 1.026 379 R CA -0.281 55.839 56.100 0.033 0.000 1.121 379 R CB 0.530 30.842 30.300 0.019 0.000 0.999 379 R HN 0.164 nan 8.270 nan 0.000 0.449 380 R N 2.161 122.656 120.500 -0.008 0.000 2.064 380 R HA -0.148 4.195 4.340 0.005 0.000 0.228 380 R C 1.265 177.518 176.300 -0.079 0.000 1.144 380 R CA 2.103 58.190 56.100 -0.022 0.000 0.932 380 R CB -0.226 30.047 30.300 -0.045 0.000 0.833 380 R HN 0.667 nan 8.270 nan 0.000 0.429 381 E N -0.450 119.592 120.200 -0.264 0.000 2.160 381 E HA -0.126 4.227 4.350 0.005 0.000 0.195 381 E C 1.935 178.386 176.600 -0.247 0.000 0.991 381 E CA 1.397 57.520 56.400 -0.461 0.000 0.810 381 E CB -0.187 28.750 29.700 -1.270 0.000 0.742 381 E HN 0.124 nan 8.360 nan 0.000 0.466 382 V N 0.276 120.090 119.914 -0.166 0.000 2.270 382 V HA -0.257 3.866 4.120 0.005 0.000 0.245 382 V C 2.330 178.545 176.094 0.203 0.000 1.043 382 V CA 1.873 64.199 62.300 0.043 0.000 1.014 382 V CB -0.641 31.203 31.823 0.035 0.000 0.645 382 V HN 0.326 nan 8.190 nan 0.000 0.447 383 S N -0.040 115.777 115.700 0.195 0.000 2.402 383 S HA -0.274 4.200 4.470 0.005 0.000 0.233 383 S C 1.780 176.593 174.600 0.355 0.000 1.030 383 S CA 2.312 60.729 58.200 0.362 0.000 1.003 383 S CB -0.696 62.712 63.200 0.348 0.000 0.813 383 S HN 0.742 nan 8.310 nan 0.000 0.477 384 N N -0.627 118.217 118.700 0.240 0.000 2.142 384 N HA -0.084 4.660 4.740 0.005 0.000 0.186 384 N C 1.519 177.266 175.510 0.395 0.000 1.023 384 N CA 1.432 54.632 53.050 0.249 0.000 0.852 384 N CB -0.309 38.257 38.487 0.132 0.000 0.998 384 N HN 0.464 nan 8.380 nan 0.000 0.424 385 F N 1.827 121.945 119.950 0.279 0.000 2.216 385 F HA -0.078 4.452 4.527 0.005 0.000 0.300 385 F C 1.700 177.701 175.800 0.335 0.000 1.085 385 F CA 1.130 59.342 58.000 0.353 0.000 1.326 385 F CB -0.031 39.159 39.000 0.316 0.000 1.027 385 F HN -0.026 nan 8.300 nan 0.000 0.497 386 L N -1.466 119.939 121.223 0.303 0.000 2.130 386 L HA -0.102 4.241 4.340 0.005 0.000 0.200 386 L C 2.406 179.604 176.870 0.547 0.000 1.075 386 L CA 0.661 55.686 54.840 0.308 0.000 0.768 386 L CB -0.980 41.280 42.059 0.336 0.000 0.933 386 L HN -0.121 nan 8.230 nan 0.000 0.451 387 V N 0.725 120.944 119.914 0.510 0.000 2.255 387 V HA -0.266 3.857 4.120 0.005 0.000 0.247 387 V C 2.657 178.935 176.094 0.306 0.000 1.051 387 V CA 2.246 64.755 62.300 0.349 0.000 1.018 387 V CB -1.316 30.635 31.823 0.213 0.000 0.641 387 V HN 0.604 nan 8.190 nan 0.000 0.445 388 G N -0.485 108.529 108.800 0.357 0.000 2.469 388 G HA2 -0.370 3.593 3.960 0.005 0.000 0.220 388 G HA3 -0.370 3.593 3.960 0.005 0.000 0.220 388 G C 1.487 176.658 174.900 0.450 0.000 1.136 388 G CA 1.081 46.474 45.100 0.489 0.000 0.759 388 G HN 0.569 nan 8.290 nan 0.000 0.562 389 N N 0.914 119.735 118.700 0.202 0.000 2.289 389 N HA -0.054 4.690 4.740 0.005 0.000 0.184 389 N C 2.459 177.937 175.510 -0.052 0.000 1.016 389 N CA 1.005 53.890 53.050 -0.275 0.000 0.872 389 N CB -0.103 38.106 38.487 -0.464 0.000 0.973 389 N HN 0.290 nan 8.380 nan 0.000 0.433 390 A N 1.004 123.833 122.820 0.015 0.000 1.897 390 A HA -0.027 4.296 4.320 0.005 0.000 0.215 390 A C 1.962 179.491 177.584 -0.092 0.000 1.181 390 A CA 0.622 52.481 52.037 -0.296 0.000 0.620 390 A CB -0.332 18.343 19.000 -0.542 0.000 0.821 390 A HN 0.211 nan 8.150 nan 0.000 0.443 391 L N -1.441 119.809 121.223 0.045 0.000 2.201 391 L HA -0.105 4.239 4.340 0.005 0.000 0.212 391 L C 2.231 179.123 176.870 0.038 0.000 1.105 391 L CA 1.406 56.307 54.840 0.101 0.000 0.775 391 L CB -1.930 40.279 42.059 0.251 0.000 0.913 391 L HN 0.616 nan 8.230 nan 0.000 0.440 392 Y N -0.375 119.746 120.300 -0.299 0.000 2.070 392 Y HA -0.268 4.286 4.550 0.005 0.000 0.280 392 Y C 2.401 178.146 175.900 -0.258 0.000 1.148 392 Y CA 1.599 59.334 58.100 -0.608 0.000 1.125 392 Y CB -0.612 37.379 38.460 -0.782 0.000 0.975 392 Y HN 0.086 nan 8.280 nan 0.000 0.492 393 W N 0.128 121.406 121.300 -0.036 0.000 2.358 393 W HA -0.150 4.513 4.660 0.005 0.000 0.303 393 W C 2.368 178.869 176.519 -0.031 0.000 1.208 393 W CA 1.249 58.571 57.345 -0.039 0.000 1.274 393 W CB -0.463 28.950 29.460 -0.078 0.000 1.138 393 W HN 0.022 nan 8.180 nan 0.000 0.515 394 I N 0.023 120.672 120.570 0.132 0.000 2.353 394 I HA -0.211 3.962 4.170 0.005 0.000 0.248 394 I C 1.996 178.124 176.117 0.017 0.000 1.119 394 I CA 1.449 62.781 61.300 0.053 0.000 1.417 394 I CB -0.379 37.617 38.000 -0.006 0.000 1.078 394 I HN 0.057 nan 8.210 nan 0.000 0.421 395 E N 0.013 120.207 120.200 -0.009 0.000 2.201 395 E HA 0.044 4.397 4.350 0.005 0.000 0.193 395 E C 1.829 178.368 176.600 -0.102 0.000 0.957 395 E CA 0.215 56.597 56.400 -0.029 0.000 0.858 395 E CB 0.287 30.002 29.700 0.025 0.000 0.816 395 E HN 0.249 nan 8.360 nan 0.000 0.475 396 R N -0.544 119.832 120.500 -0.207 0.000 2.312 396 R HA 0.160 4.504 4.340 0.005 0.000 0.205 396 R C 0.581 176.492 176.300 -0.648 0.000 0.904 396 R CA 0.370 56.206 56.100 -0.440 0.000 1.052 396 R CB 0.349 30.259 30.300 -0.650 0.000 1.014 396 R HN 0.178 nan 8.270 nan 0.000 0.503 397 F N -1.127 118.706 119.950 -0.195 0.000 2.871 397 F HA 0.260 4.790 4.527 0.005 0.000 0.344 397 F C 1.194 176.942 175.800 -0.086 0.000 1.078 397 F CA 0.338 58.261 58.000 -0.128 0.000 1.149 397 F CB 0.923 39.928 39.000 0.008 0.000 1.087 397 F HN 0.133 nan 8.300 nan 0.000 0.557 398 G N 1.728 110.592 108.800 0.106 0.000 2.160 398 G HA2 -0.257 3.706 3.960 0.005 0.000 0.244 398 G HA3 -0.257 3.706 3.960 0.005 0.000 0.244 398 G C 0.193 175.205 174.900 0.186 0.000 1.022 398 G CA -0.200 44.981 45.100 0.135 0.000 0.741 398 G HN 0.133 nan 8.290 nan 0.000 0.508 399 I N 0.914 121.570 120.570 0.144 0.000 2.710 399 I HA 0.081 4.254 4.170 0.005 0.000 0.286 399 I C 0.973 177.121 176.117 0.052 0.000 1.181 399 I CA 0.349 61.712 61.300 0.105 0.000 1.430 399 I CB 0.610 38.676 38.000 0.111 0.000 1.367 399 I HN 0.134 nan 8.210 nan 0.000 0.577 400 D N 4.306 124.730 120.400 0.039 0.000 2.366 400 D HA 0.258 4.901 4.640 0.005 0.000 0.205 400 D C 0.488 176.771 176.300 -0.027 0.000 1.022 400 D CA 0.557 54.547 54.000 -0.016 0.000 0.868 400 D CB 1.109 41.891 40.800 -0.029 0.000 0.953 400 D HN 0.635 nan 8.370 nan 0.000 0.514 401 A N 0.344 123.167 122.820 0.006 0.000 2.608 401 A HA 0.645 4.968 4.320 0.005 0.000 0.292 401 A C -1.819 175.778 177.584 0.021 0.000 1.066 401 A CA -0.604 51.437 52.037 0.006 0.000 0.676 401 A CB 1.095 20.135 19.000 0.066 0.000 1.277 401 A HN 0.037 nan 8.150 nan 0.000 0.413 402 L N 1.099 122.350 121.223 0.047 0.000 2.386 402 L HA 0.668 5.011 4.340 0.005 0.000 0.271 402 L C 0.075 177.067 176.870 0.202 0.000 0.993 402 L CA -0.622 54.268 54.840 0.083 0.000 0.819 402 L CB 2.070 44.116 42.059 -0.022 0.000 1.294 402 L HN 0.818 nan 8.230 nan 0.000 0.414 403 R N 2.303 122.924 120.500 0.203 0.000 2.445 403 R HA 0.700 5.043 4.340 0.005 0.000 0.308 403 R C -1.637 174.773 176.300 0.182 0.000 0.961 403 R CA -0.512 55.683 56.100 0.159 0.000 0.862 403 R CB 2.003 32.363 30.300 0.101 0.000 1.144 403 R HN 0.431 nan 8.270 nan 0.000 0.447 404 V N 5.409 125.376 119.914 0.088 0.000 2.417 404 V HA 0.166 4.289 4.120 0.005 0.000 0.291 404 V C 0.081 176.113 176.094 -0.103 0.000 1.024 404 V CA -0.768 61.587 62.300 0.092 0.000 0.861 404 V CB 1.476 33.418 31.823 0.199 0.000 0.985 404 V HN 0.858 nan 8.190 nan 0.000 0.436 405 D N 4.128 124.509 120.400 -0.032 0.000 2.387 405 D HA 0.465 5.108 4.640 0.005 0.000 0.255 405 D C 0.552 176.816 176.300 -0.060 0.000 1.081 405 D CA 0.060 53.993 54.000 -0.112 0.000 0.994 405 D CB 1.899 42.652 40.800 -0.079 0.000 1.127 405 D HN 1.009 nan 8.370 nan 0.000 0.513 406 A N 0.489 123.260 122.820 -0.081 0.000 2.596 406 A HA -0.155 4.168 4.320 0.005 0.000 0.300 406 A C 1.410 178.958 177.584 -0.060 0.000 1.495 406 A CA 0.816 52.818 52.037 -0.057 0.000 0.769 406 A CB -2.113 16.859 19.000 -0.046 0.000 1.047 406 A HN 0.481 nan 8.150 nan 0.000 0.436 407 V N -0.918 118.954 119.914 -0.069 0.000 2.469 407 V HA -0.261 3.862 4.120 0.005 0.000 0.251 407 V C 2.862 178.952 176.094 -0.007 0.000 1.064 407 V CA 2.749 65.017 62.300 -0.052 0.000 1.066 407 V CB -1.008 30.755 31.823 -0.100 0.000 0.667 407 V HN 1.140 nan 8.190 nan 0.000 0.461 408 A N -0.433 122.400 122.820 0.021 0.000 1.898 408 A HA -0.211 4.112 4.320 0.005 0.000 0.216 408 A C 2.523 180.186 177.584 0.132 0.000 1.181 408 A CA 1.985 54.084 52.037 0.104 0.000 0.620 408 A CB -0.767 18.229 19.000 -0.006 0.000 0.819 408 A HN 0.520 nan 8.150 nan 0.000 0.442 409 S N -1.418 114.300 115.700 0.030 0.000 2.500 409 S HA -0.110 4.363 4.470 0.005 0.000 0.239 409 S C 1.838 176.456 174.600 0.030 0.000 0.989 409 S CA 1.569 59.779 58.200 0.016 0.000 0.951 409 S CB -0.442 62.731 63.200 -0.045 0.000 0.759 409 S HN 0.594 nan 8.310 nan 0.000 0.523 410 M N 0.856 120.472 119.600 0.027 0.000 2.552 410 M HA 0.336 4.820 4.480 0.005 0.000 0.264 410 M C 1.281 177.579 176.300 -0.003 0.000 1.159 410 M CA 0.932 56.241 55.300 0.015 0.000 1.176 410 M CB 0.110 32.692 32.600 -0.029 0.000 1.327 410 M HN 0.492 nan 8.290 nan 0.000 0.481 411 I N -1.715 118.852 120.570 -0.005 0.000 3.884 411 I HA 0.294 4.467 4.170 0.005 0.000 0.330 411 I C -1.031 174.922 176.117 -0.272 0.000 1.451 411 I CA -0.487 60.725 61.300 -0.147 0.000 1.165 411 I CB -0.337 37.491 38.000 -0.286 0.000 1.097 411 I HN 0.085 nan 8.210 nan 0.000 0.404 429 G N -0.129 108.738 108.800 0.113 0.000 4.044 429 G HA2 -0.039 3.924 3.960 0.005 0.000 0.189 429 G HA3 -0.039 3.924 3.960 0.005 0.000 0.189 429 G C 1.002 175.934 174.900 0.053 0.000 0.838 429 G CA 0.147 45.288 45.100 0.068 0.000 0.876 429 G HN 0.658 nan 8.290 nan 0.000 0.419 430 R N 1.026 121.580 120.500 0.090 0.000 2.276 430 R HA 0.160 4.503 4.340 0.005 0.000 0.196 430 R C -0.018 176.244 176.300 -0.062 0.000 0.961 430 R CA -0.115 56.023 56.100 0.064 0.000 1.024 430 R CB 0.131 30.552 30.300 0.201 0.000 0.940 430 R HN 0.404 nan 8.270 nan 0.000 0.480 431 E N 2.690 122.786 120.200 -0.174 0.000 3.434 431 E HA -0.166 4.188 4.350 0.005 0.000 0.248 431 E C -0.118 176.393 176.600 -0.148 0.000 0.895 431 E CA 0.169 56.409 56.400 -0.267 0.000 0.953 431 E CB 0.023 29.631 29.700 -0.153 0.000 0.893 431 E HN 0.075 nan 8.360 nan 0.000 0.570 432 N N 4.830 123.433 118.700 -0.162 0.000 2.448 432 N HA -0.001 4.742 4.740 0.005 0.000 0.250 432 N C 0.844 176.321 175.510 -0.055 0.000 1.136 432 N CA 0.062 53.066 53.050 -0.078 0.000 0.953 432 N CB 0.384 38.841 38.487 -0.050 0.000 1.251 432 N HN 0.502 nan 8.380 nan 0.000 0.502 433 L N 1.616 122.827 121.223 -0.021 0.000 2.089 433 L HA -0.185 4.159 4.340 0.005 0.000 0.213 433 L C 1.712 178.598 176.870 0.026 0.000 1.079 433 L CA 1.155 55.997 54.840 0.003 0.000 0.758 433 L CB -0.127 41.946 42.059 0.022 0.000 0.891 433 L HN 0.460 nan 8.230 nan 0.000 0.433 434 E N -0.164 120.073 120.200 0.062 0.000 2.299 434 E HA -0.035 4.319 4.350 0.005 0.000 0.193 434 E C 2.193 178.828 176.600 0.057 0.000 0.998 434 E CA 0.978 57.452 56.400 0.122 0.000 0.851 434 E CB 0.099 29.935 29.700 0.226 0.000 0.795 434 E HN 0.470 nan 8.360 nan 0.000 0.492 435 A N 0.952 123.730 122.820 -0.069 0.000 1.874 435 A HA -0.064 4.259 4.320 0.005 0.000 0.214 435 A C 2.214 179.708 177.584 -0.151 0.000 1.189 435 A CA 0.611 52.459 52.037 -0.315 0.000 0.615 435 A CB -0.441 18.380 19.000 -0.297 0.000 0.830 435 A HN 0.109 nan 8.150 nan 0.000 0.443 436 I N -0.108 120.397 120.570 -0.108 0.000 2.208 436 I HA -0.236 3.937 4.170 0.005 0.000 0.245 436 I C 2.393 178.494 176.117 -0.027 0.000 1.097 436 I CA 1.845 63.094 61.300 -0.086 0.000 1.363 436 I CB -0.141 37.825 38.000 -0.058 0.000 1.051 436 I HN 0.339 nan 8.210 nan 0.000 0.413 437 E N -0.002 120.205 120.200 0.011 0.000 2.216 437 E HA -0.196 4.158 4.350 0.005 0.000 0.192 437 E C 1.964 178.591 176.600 0.045 0.000 0.988 437 E CA 0.840 57.258 56.400 0.030 0.000 0.834 437 E CB -0.311 29.423 29.700 0.056 0.000 0.772 437 E HN 0.465 nan 8.360 nan 0.000 0.479 438 F N 0.332 120.236 119.950 -0.076 0.000 2.163 438 F HA -0.031 4.499 4.527 0.005 0.000 0.297 438 F C 1.613 177.383 175.800 -0.051 0.000 1.094 438 F CA 1.136 59.104 58.000 -0.054 0.000 1.290 438 F CB -0.092 38.827 39.000 -0.136 0.000 1.017 438 F HN 0.003 nan 8.300 nan 0.000 0.483 439 L N 0.162 121.342 121.223 -0.072 0.000 2.083 439 L HA -0.181 4.162 4.340 0.005 0.000 0.209 439 L C 2.622 179.322 176.870 -0.283 0.000 1.083 439 L CA 1.397 56.138 54.840 -0.164 0.000 0.752 439 L CB -0.691 41.365 42.059 -0.004 0.000 0.899 439 L HN 0.076 nan 8.230 nan 0.000 0.433 440 R N -0.330 120.057 120.500 -0.188 0.000 2.075 440 R HA -0.099 4.244 4.340 0.005 0.000 0.232 440 R C 2.137 178.335 176.300 -0.170 0.000 1.126 440 R CA 1.132 57.130 56.100 -0.170 0.000 0.963 440 R CB -0.346 29.900 30.300 -0.090 0.000 0.858 440 R HN 0.408 nan 8.270 nan 0.000 0.435 441 N N -0.074 118.525 118.700 -0.169 0.000 2.171 441 N HA -0.088 4.655 4.740 0.005 0.000 0.184 441 N C 1.631 177.027 175.510 -0.190 0.000 1.021 441 N CA 1.474 54.436 53.050 -0.147 0.000 0.854 441 N CB -0.158 38.270 38.487 -0.098 0.000 0.994 441 N HN 0.135 nan 8.380 nan 0.000 0.426 442 T N 2.175 116.525 114.554 -0.341 0.000 2.607 442 T HA -0.112 4.241 4.350 0.005 0.000 0.267 442 T C 1.616 176.232 174.700 -0.140 0.000 1.049 442 T CA 1.165 63.101 62.100 -0.274 0.000 1.162 442 T CB -0.298 68.351 68.868 -0.366 0.000 0.863 442 T HN 0.257 nan 8.240 nan 0.000 0.424 443 N N 0.642 119.230 118.700 -0.186 0.000 2.069 443 N HA -0.081 4.662 4.740 0.005 0.000 0.191 443 N C 1.996 177.485 175.510 -0.035 0.000 1.031 443 N CA 0.997 53.980 53.050 -0.112 0.000 0.852 443 N CB -0.360 37.944 38.487 -0.305 0.000 1.018 443 N HN 0.345 nan 8.380 nan 0.000 0.423 444 R N 0.814 121.261 120.500 -0.088 0.000 2.070 444 R HA 0.002 4.345 4.340 0.005 0.000 0.233 444 R C 2.298 178.596 176.300 -0.004 0.000 1.137 444 R CA 1.002 57.072 56.100 -0.050 0.000 0.945 444 R CB -0.316 29.945 30.300 -0.065 0.000 0.845 444 R HN 0.179 nan 8.270 nan 0.000 0.430 445 I N 1.029 121.588 120.570 -0.017 0.000 2.208 445 I HA -0.330 3.844 4.170 0.005 0.000 0.245 445 I C 2.280 178.412 176.117 0.026 0.000 1.097 445 I CA 1.212 62.514 61.300 0.003 0.000 1.363 445 I CB -0.221 37.777 38.000 -0.003 0.000 1.051 445 I HN 0.261 nan 8.210 nan 0.000 0.413 446 L N 0.229 121.471 121.223 0.031 0.000 2.012 446 L HA -0.173 4.171 4.340 0.005 0.000 0.210 446 L C 2.682 179.603 176.870 0.085 0.000 1.073 446 L CA 1.744 56.608 54.840 0.040 0.000 0.748 446 L CB -1.334 40.744 42.059 0.032 0.000 0.891 446 L HN 0.336 nan 8.230 nan 0.000 0.431 447 G N -0.713 108.203 108.800 0.194 0.000 2.432 447 G HA2 -0.209 3.754 3.960 0.005 0.000 0.219 447 G HA3 -0.209 3.754 3.960 0.005 0.000 0.219 447 G C 1.473 176.449 174.900 0.127 0.000 1.135 447 G CA 0.465 45.729 45.100 0.273 0.000 0.767 447 G HN 0.424 nan 8.290 nan 0.000 0.550 448 E N -0.428 119.816 120.200 0.073 0.000 2.190 448 E HA -0.010 4.344 4.350 0.005 0.000 0.191 448 E C 2.501 179.118 176.600 0.029 0.000 0.978 448 E CA 0.419 56.845 56.400 0.042 0.000 0.839 448 E CB 0.105 29.820 29.700 0.025 0.000 0.787 448 E HN 0.354 nan 8.360 nan 0.000 0.473 449 Q N -0.084 119.732 119.800 0.027 0.000 2.373 449 Q HA 0.014 4.357 4.340 0.005 0.000 0.210 449 Q C 1.231 177.235 176.000 0.008 0.000 0.913 449 Q CA 0.729 56.543 55.803 0.019 0.000 0.911 449 Q CB 1.397 30.151 28.738 0.027 0.000 1.040 449 Q HN 0.203 nan 8.270 nan 0.000 0.521 450 V N -1.108 118.805 119.914 -0.001 0.000 2.719 450 V HA 0.325 4.448 4.120 0.005 0.000 0.330 450 V C 0.014 176.076 176.094 -0.053 0.000 1.224 450 V CA -0.759 61.524 62.300 -0.029 0.000 1.314 450 V CB 0.249 32.048 31.823 -0.039 0.000 1.416 450 V HN 0.115 nan 8.190 nan 0.000 0.651 451 S N 0.453 116.140 115.700 -0.022 0.000 2.552 451 S HA 0.581 5.054 4.470 0.005 0.000 0.289 451 S C 1.386 175.940 174.600 -0.076 0.000 1.304 451 S CA 0.947 59.134 58.200 -0.021 0.000 1.063 451 S CB 0.915 64.135 63.200 0.034 0.000 0.848 451 S HN 2.340 nan 8.310 nan 0.000 0.499 452 G N 1.670 110.385 108.800 -0.141 0.000 2.436 452 G HA2 0.061 4.024 3.960 0.005 0.000 0.204 452 G HA3 0.061 4.024 3.960 0.005 0.000 0.204 452 G C 0.213 174.965 174.900 -0.245 0.000 1.026 452 G CA -0.113 44.889 45.100 -0.163 0.000 0.658 452 G HN 1.625 nan 8.290 nan 0.000 0.499 453 A N 0.307 122.963 122.820 -0.274 0.000 2.302 453 A HA 0.894 5.217 4.320 0.005 0.000 0.285 453 A C 0.497 177.700 177.584 -0.636 0.000 1.105 453 A CA 0.398 52.244 52.037 -0.319 0.000 0.816 453 A CB 1.105 19.978 19.000 -0.211 0.000 1.067 453 A HN 1.967 nan 8.150 nan 0.000 0.489 454 V N -1.087 118.475 119.914 -0.587 0.000 3.160 454 V HA 0.952 5.075 4.120 0.005 0.000 0.310 454 V C -0.215 175.755 176.094 -0.208 0.000 1.181 454 V CA -0.159 61.594 62.300 -0.911 0.000 1.047 454 V CB 1.520 32.846 31.823 -0.828 0.000 1.068 454 V HN 1.276 nan 8.190 nan 0.000 0.441 455 T N -0.146 114.526 114.554 0.198 0.000 2.908 455 T HA 0.841 5.194 4.350 0.005 0.000 0.290 455 T C -0.606 174.464 174.700 0.616 0.000 1.034 455 T CA -0.761 61.613 62.100 0.457 0.000 1.010 455 T CB 1.786 71.022 68.868 0.613 0.000 1.068 455 T HN 0.843 nan 8.240 nan 0.000 0.481 456 M N 1.274 121.137 119.600 0.439 0.000 2.572 456 M HA 0.785 5.269 4.480 0.005 0.000 0.299 456 M C -0.855 175.380 176.300 -0.107 0.000 1.205 456 M CA -1.062 54.409 55.300 0.285 0.000 0.876 456 M CB 2.666 35.450 32.600 0.306 0.000 1.728 456 M HN 0.949 nan 8.290 nan 0.000 0.458 457 A N 1.229 123.845 122.820 -0.341 0.000 2.449 457 A HA 0.680 5.003 4.320 0.005 0.000 0.302 457 A C -1.433 175.892 177.584 -0.432 0.000 1.048 457 A CA -0.618 51.046 52.037 -0.623 0.000 0.708 457 A CB 1.924 20.151 19.000 -1.287 0.000 1.274 457 A HN 0.766 nan 8.150 nan 0.000 0.410 458 E N 1.814 121.728 120.200 -0.477 0.000 2.156 458 E HA 0.399 4.752 4.350 0.005 0.000 0.279 458 E C -1.309 175.211 176.600 -0.133 0.000 0.965 458 E CA -0.154 56.071 56.400 -0.291 0.000 0.789 458 E CB 1.207 30.641 29.700 -0.443 0.000 1.098 458 E HN 0.582 nan 8.360 nan 0.000 0.397 459 E N 2.764 122.965 120.200 0.001 0.000 2.274 459 E HA 0.135 4.488 4.350 0.005 0.000 0.269 459 E C -0.607 176.054 176.600 0.100 0.000 0.891 459 E CA -0.239 56.184 56.400 0.038 0.000 0.784 459 E CB 1.500 31.235 29.700 0.057 0.000 1.225 459 E HN 0.468 nan 8.360 nan 0.000 0.412 460 S N 1.064 116.808 115.700 0.073 0.000 2.557 460 S HA 0.014 4.487 4.470 0.005 0.000 0.223 460 S C 0.970 175.600 174.600 0.051 0.000 0.969 460 S CA 0.446 58.692 58.200 0.077 0.000 0.927 460 S CB -0.172 63.061 63.200 0.055 0.000 0.806 460 S HN 0.416 nan 8.310 nan 0.000 0.489 461 T N -2.444 112.149 114.554 0.065 0.000 3.182 461 T HA 0.317 4.670 4.350 0.005 0.000 0.277 461 T C -0.223 174.545 174.700 0.114 0.000 1.013 461 T CA 0.018 62.146 62.100 0.046 0.000 0.900 461 T CB -0.636 68.209 68.868 -0.038 0.000 1.098 461 T HN 0.164 nan 8.240 nan 0.000 0.543 462 D N 0.455 120.936 120.400 0.135 0.000 2.751 462 D HA -0.190 4.454 4.640 0.005 0.000 0.233 462 D C -0.476 175.922 176.300 0.163 0.000 1.149 462 D CA 0.370 54.447 54.000 0.127 0.000 0.682 462 D CB -1.988 38.844 40.800 0.054 0.000 1.068 462 D HN 0.699 nan 8.370 nan 0.000 0.429 463 F N 1.229 121.240 119.950 0.102 0.000 2.546 463 F HA 0.166 4.696 4.527 0.005 0.000 0.388 463 F C -1.513 174.335 175.800 0.081 0.000 1.051 463 F CA -1.637 56.433 58.000 0.116 0.000 1.130 463 F CB 0.378 39.470 39.000 0.154 0.000 1.044 463 F HN -0.088 nan 8.300 nan 0.000 0.553 464 P HA 0.125 nan 4.420 nan 0.000 0.265 464 P C 0.461 177.680 177.300 -0.134 0.000 1.193 464 P CA 0.879 63.861 63.100 -0.196 0.000 0.765 464 P CB 0.836 32.392 31.700 -0.239 0.000 0.823 465 G N 1.637 110.437 108.800 0.000 0.000 2.137 465 G HA2 -0.273 3.691 3.960 0.005 0.000 0.237 465 G HA3 -0.273 3.691 3.960 0.005 0.000 0.237 465 G C 0.774 175.760 174.900 0.144 0.000 1.002 465 G CA 0.036 45.155 45.100 0.033 0.000 0.702 465 G HN 0.366 nan 8.290 nan 0.000 0.515 466 V N 1.023 121.073 119.914 0.226 0.000 2.282 466 V HA -0.189 3.934 4.120 0.005 0.000 0.249 466 V C 2.500 178.727 176.094 0.223 0.000 1.057 466 V CA 2.907 65.378 62.300 0.284 0.000 1.032 466 V CB -0.400 31.559 31.823 0.227 0.000 0.645 466 V HN 1.212 nan 8.190 nan 0.000 0.447 467 S N -0.321 115.419 115.700 0.067 0.000 2.582 467 S HA 0.334 4.807 4.470 0.005 0.000 0.249 467 S C 0.295 174.809 174.600 -0.143 0.000 1.072 467 S CA -0.518 57.672 58.200 -0.017 0.000 1.115 467 S CB -0.044 63.085 63.200 -0.118 0.000 0.790 467 S HN 0.323 nan 8.310 nan 0.000 0.459 468 R N 2.115 122.557 120.500 -0.098 0.000 2.803 468 R HA 0.567 4.911 4.340 0.005 0.000 0.276 468 R C -3.126 173.084 176.300 -0.151 0.000 0.978 468 R CA -2.541 53.472 56.100 -0.145 0.000 0.939 468 R CB 0.579 30.819 30.300 -0.100 0.000 1.179 468 R HN 0.137 nan 8.270 nan 0.000 0.472 469 P HA -0.004 nan 4.420 nan 0.000 0.264 469 P C -0.037 177.192 177.300 -0.119 0.000 1.183 469 P CA 0.127 63.121 63.100 -0.176 0.000 0.763 469 P CB 0.709 32.316 31.700 -0.155 0.000 0.807 470 Q N 2.352 122.080 119.800 -0.120 0.000 2.173 470 Q HA -0.243 4.100 4.340 0.005 0.000 0.208 470 Q C 1.543 177.511 176.000 -0.052 0.000 0.989 470 Q CA 2.598 58.354 55.803 -0.078 0.000 0.872 470 Q CB -0.790 27.897 28.738 -0.085 0.000 0.909 470 Q HN 0.636 nan 8.270 nan 0.000 0.420 471 D N -0.545 119.820 120.400 -0.058 0.000 2.228 471 D HA -0.190 4.453 4.640 0.005 0.000 0.203 471 D C 1.333 177.611 176.300 -0.037 0.000 0.988 471 D CA 1.600 55.574 54.000 -0.044 0.000 0.864 471 D CB -0.252 40.521 40.800 -0.045 0.000 0.928 471 D HN 0.403 nan 8.370 nan 0.000 0.469 472 M N -0.872 118.703 119.600 -0.042 0.000 2.318 472 M HA 0.468 4.951 4.480 0.005 0.000 0.214 472 M C 2.074 178.356 176.300 -0.029 0.000 0.644 472 M CA 0.387 55.665 55.300 -0.037 0.000 1.869 472 M CB -0.755 31.818 32.600 -0.044 0.000 1.117 472 M HN -0.071 nan 8.290 nan 0.000 0.906 473 G N 0.394 109.171 108.800 -0.039 0.000 2.808 473 G HA2 0.075 4.038 3.960 0.005 0.000 0.225 473 G HA3 0.075 4.038 3.960 0.005 0.000 0.225 473 G C 0.955 175.873 174.900 0.031 0.000 1.210 473 G CA 2.576 47.653 45.100 -0.039 0.000 0.777 473 G HN 1.572 nan 8.290 nan 0.000 0.640 474 G N -2.716 106.106 108.800 0.036 0.000 2.582 474 G HA2 0.206 4.169 3.960 0.005 0.000 0.222 474 G HA3 0.206 4.169 3.960 0.005 0.000 0.222 474 G C 0.263 175.232 174.900 0.115 0.000 1.311 474 G CA -0.131 44.998 45.100 0.048 0.000 0.915 474 G HN 1.637 nan 8.290 nan 0.000 0.528 475 L N -1.905 119.350 121.223 0.054 0.000 2.129 475 L HA 0.057 4.400 4.340 0.005 0.000 0.483 475 L C 2.423 179.179 176.870 -0.189 0.000 0.714 475 L CA 3.621 58.471 54.840 0.017 0.000 3.307 475 L CB -1.349 40.842 42.059 0.220 0.000 0.592 475 L HN 3.218 nan 8.230 nan 0.000 0.792 476 G N -0.828 107.880 108.800 -0.154 0.000 2.171 476 G HA2 -0.286 3.677 3.960 0.005 0.000 0.238 476 G HA3 -0.286 3.677 3.960 0.005 0.000 0.238 476 G C 0.049 174.713 174.900 -0.394 0.000 1.039 476 G CA 0.129 45.046 45.100 -0.305 0.000 0.759 476 G HN 0.371 nan 8.290 nan 0.000 0.501 477 F N -0.743 119.161 119.950 -0.076 0.000 2.375 477 F HA 0.510 5.040 4.527 0.005 0.000 0.333 477 F C 1.654 177.443 175.800 -0.018 0.000 1.104 477 F CA -0.872 57.169 58.000 0.068 0.000 1.149 477 F CB 0.654 39.731 39.000 0.128 0.000 1.190 477 F HN 0.090 nan 8.300 nan 0.000 0.533 478 W N 0.702 122.108 121.300 0.176 0.000 2.381 478 W HA -0.116 4.547 4.660 0.005 0.000 0.301 478 W C -0.178 176.188 176.519 -0.254 0.000 1.205 478 W CA 1.077 58.395 57.345 -0.046 0.000 1.285 478 W CB -0.085 29.286 29.460 -0.148 0.000 1.133 478 W HN 0.355 nan 8.180 nan 0.000 0.521 479 Y N -0.785 119.764 120.300 0.414 0.000 2.576 479 Y HA 0.430 4.983 4.550 0.005 0.000 0.346 479 Y C -0.134 175.872 175.900 0.177 0.000 1.018 479 Y CA -1.230 57.017 58.100 0.244 0.000 1.050 479 Y CB 1.628 40.253 38.460 0.275 0.000 1.280 479 Y HN -0.459 nan 8.280 nan 0.000 0.474 480 K N 1.177 121.776 120.400 0.332 0.000 2.427 480 K HA 0.314 4.638 4.320 0.005 0.000 0.252 480 K C -1.751 175.180 176.600 0.551 0.000 0.931 480 K CA -0.710 55.753 56.287 0.293 0.000 0.793 480 K CB 1.160 33.738 32.500 0.131 0.000 1.211 480 K HN 0.628 nan 8.250 nan 0.000 0.426 481 W N 2.608 124.038 121.300 0.217 0.000 2.251 481 W HA 0.080 4.743 4.660 0.005 0.000 0.327 481 W C 0.832 177.538 176.519 0.311 0.000 1.361 481 W CA -0.256 57.217 57.345 0.214 0.000 1.234 481 W CB 0.116 29.648 29.460 0.119 0.000 1.212 481 W HN 0.434 nan 8.180 nan 0.000 0.557 482 N N 4.315 123.243 118.700 0.380 0.000 2.807 482 N HA 0.076 4.819 4.740 0.005 0.000 0.259 482 N C 0.975 176.587 175.510 0.170 0.000 1.149 482 N CA 0.104 53.228 53.050 0.123 0.000 1.042 482 N CB 0.061 38.375 38.487 -0.289 0.000 1.367 482 N HN 0.447 nan 8.380 nan 0.000 0.516 483 L N 0.740 122.110 121.223 0.245 0.000 2.141 483 L HA 0.002 4.345 4.340 0.005 0.000 0.209 483 L C 2.285 179.301 176.870 0.242 0.000 1.094 483 L CA 1.045 56.015 54.840 0.217 0.000 0.763 483 L CB -0.309 41.911 42.059 0.268 0.000 0.908 483 L HN 0.455 nan 8.230 nan 0.000 0.437 484 G N -0.487 108.464 108.800 0.253 0.000 2.418 484 G HA2 -0.326 3.637 3.960 0.005 0.000 0.217 484 G HA3 -0.326 3.637 3.960 0.005 0.000 0.217 484 G C 1.326 176.395 174.900 0.282 0.000 1.158 484 G CA 0.565 45.831 45.100 0.277 0.000 0.771 484 G HN 0.522 nan 8.290 nan 0.000 0.545 485 W N 0.474 121.796 121.300 0.036 0.000 2.388 485 W HA 0.001 4.664 4.660 0.005 0.000 0.294 485 W C 2.440 178.941 176.519 -0.031 0.000 1.212 485 W CA 1.614 58.930 57.345 -0.049 0.000 1.271 485 W CB 0.066 29.408 29.460 -0.198 0.000 1.126 485 W HN 0.152 nan 8.180 nan 0.000 0.535 486 M N 0.034 119.773 119.600 0.231 0.000 2.117 486 M HA -0.232 4.251 4.480 0.005 0.000 0.262 486 M C 1.633 177.839 176.300 -0.156 0.000 1.065 486 M CA 2.174 57.488 55.300 0.024 0.000 1.114 486 M CB -1.335 31.277 32.600 0.019 0.000 1.361 486 M HN 0.178 nan 8.290 nan 0.000 0.408 487 H N 0.065 119.122 119.070 -0.021 0.000 2.357 487 H HA -0.116 4.443 4.556 0.005 0.000 0.301 487 H C 1.699 176.955 175.328 -0.119 0.000 1.082 487 H CA 1.698 57.714 56.048 -0.053 0.000 1.342 487 H CB 0.095 29.855 29.762 -0.004 0.000 1.389 487 H HN 0.417 nan 8.280 nan 0.000 0.511 488 D N -0.646 119.749 120.400 -0.008 0.000 2.097 488 D HA -0.126 4.517 4.640 0.005 0.000 0.197 488 D C 2.391 178.537 176.300 -0.257 0.000 0.984 488 D CA 1.970 55.912 54.000 -0.097 0.000 0.826 488 D CB -0.518 40.258 40.800 -0.041 0.000 0.973 488 D HN 0.496 nan 8.370 nan 0.000 0.460 489 T N -0.847 113.410 114.554 -0.495 0.000 2.904 489 T HA -0.082 4.271 4.350 0.005 0.000 0.267 489 T C 2.044 176.445 174.700 -0.498 0.000 1.059 489 T CA 0.388 62.128 62.100 -0.600 0.000 1.137 489 T CB -0.326 68.003 68.868 -0.898 0.000 0.879 489 T HN -0.063 nan 8.240 nan 0.000 0.467 490 L N 2.015 122.985 121.223 -0.422 0.000 2.027 490 L HA 0.031 4.374 4.340 0.005 0.000 0.206 490 L C 2.366 179.074 176.870 -0.269 0.000 1.074 490 L CA 1.612 56.229 54.840 -0.372 0.000 0.745 490 L CB -1.092 40.828 42.059 -0.231 0.000 0.898 490 L HN 0.184 nan 8.230 nan 0.000 0.433 491 D N -1.840 118.447 120.400 -0.187 0.000 2.123 491 D HA -0.274 4.369 4.640 0.005 0.000 0.196 491 D C 2.088 178.265 176.300 -0.204 0.000 0.992 491 D CA 1.319 55.217 54.000 -0.171 0.000 0.833 491 D CB -0.154 40.563 40.800 -0.138 0.000 0.954 491 D HN 0.400 nan 8.370 nan 0.000 0.455 492 Y N 0.317 120.417 120.300 -0.333 0.000 2.133 492 Y HA -0.218 4.335 4.550 0.005 0.000 0.287 492 Y C 2.255 177.927 175.900 -0.379 0.000 1.134 492 Y CA 1.331 59.223 58.100 -0.347 0.000 1.133 492 Y CB -0.193 38.022 38.460 -0.408 0.000 0.987 492 Y HN -0.180 nan 8.280 nan 0.000 0.502 493 M N 1.004 120.445 119.600 -0.264 0.000 2.202 493 M HA -0.224 4.259 4.480 0.005 0.000 0.262 493 M C 1.877 177.979 176.300 -0.331 0.000 1.063 493 M CA 1.666 56.744 55.300 -0.371 0.000 1.097 493 M CB -0.504 31.748 32.600 -0.580 0.000 1.382 493 M HN 0.174 nan 8.290 nan 0.000 0.413 494 K N -0.581 119.644 120.400 -0.292 0.000 2.148 494 K HA -0.018 4.305 4.320 0.005 0.000 0.204 494 K C 0.296 176.773 176.600 -0.205 0.000 1.050 494 K CA 0.372 56.523 56.287 -0.226 0.000 0.942 494 K CB -0.333 32.054 32.500 -0.189 0.000 0.724 494 K HN 0.268 nan 8.250 nan 0.000 0.446 495 L N 2.155 123.230 121.223 -0.246 0.000 2.456 495 L HA -0.019 4.324 4.340 0.005 0.000 0.272 495 L C 0.444 177.231 176.870 -0.138 0.000 1.189 495 L CA -0.468 54.269 54.840 -0.171 0.000 0.846 495 L CB 0.117 42.065 42.059 -0.185 0.000 1.111 495 L HN 0.120 nan 8.230 nan 0.000 0.475 496 D N 4.697 125.079 120.400 -0.029 0.000 2.581 496 D HA -0.054 4.589 4.640 0.005 0.000 0.238 496 D C -1.547 174.693 176.300 -0.100 0.000 1.145 496 D CA -1.227 52.744 54.000 -0.049 0.000 0.866 496 D CB 1.129 41.939 40.800 0.017 0.000 1.151 496 D HN 0.220 nan 8.370 nan 0.000 0.500 497 P HA -0.192 nan 4.420 nan 0.000 0.219 497 P C 1.266 178.490 177.300 -0.127 0.000 1.145 497 P CA 0.515 63.538 63.100 -0.128 0.000 0.813 497 P CB 0.286 31.927 31.700 -0.098 0.000 0.771 498 V N -2.838 116.970 119.914 -0.175 0.000 3.541 498 V HA -0.044 4.079 4.120 0.005 0.000 0.267 498 V C 1.105 177.040 176.094 -0.264 0.000 1.213 498 V CA 1.030 63.179 62.300 -0.251 0.000 1.149 498 V CB -0.775 30.836 31.823 -0.354 0.000 0.822 498 V HN 0.124 nan 8.190 nan 0.000 0.462 499 Y N -1.116 119.185 120.300 0.002 0.000 2.481 499 Y HA 0.279 4.832 4.550 0.005 0.000 0.247 499 Y C 2.240 178.185 175.900 0.075 0.000 1.151 499 Y CA -0.314 57.856 58.100 0.117 0.000 1.238 499 Y CB 0.413 38.949 38.460 0.126 0.000 1.179 499 Y HN 0.069 nan 8.280 nan 0.000 0.524 500 R N 0.788 121.303 120.500 0.025 0.000 2.148 500 R HA -0.183 4.160 4.340 0.005 0.000 0.227 500 R C 2.138 178.435 176.300 -0.004 0.000 1.103 500 R CA 1.552 57.583 56.100 -0.115 0.000 0.983 500 R CB -0.154 29.941 30.300 -0.341 0.000 0.874 500 R HN 0.570 nan 8.270 nan 0.000 0.451 501 Q N -0.361 119.360 119.800 -0.131 0.000 2.234 501 Q HA -0.189 4.154 4.340 0.005 0.000 0.206 501 Q C 0.640 176.430 176.000 -0.350 0.000 0.980 501 Q CA 1.599 57.233 55.803 -0.282 0.000 0.869 501 Q CB -0.239 28.203 28.738 -0.493 0.000 0.912 501 Q HN 0.492 nan 8.270 nan 0.000 0.436 502 Y N -0.685 119.549 120.300 -0.110 0.000 2.457 502 Y HA 0.165 4.718 4.550 0.005 0.000 0.263 502 Y C 0.824 176.435 175.900 -0.482 0.000 1.164 502 Y CA -0.023 57.901 58.100 -0.294 0.000 1.274 502 Y CB 0.581 38.801 38.460 -0.400 0.000 1.097 502 Y HN 0.269 nan 8.280 nan 0.000 0.523 503 H N -2.198 116.987 119.070 0.191 0.000 2.885 503 H HA 0.107 4.666 4.556 0.005 0.000 0.254 503 H C 1.343 176.837 175.328 0.277 0.000 1.185 503 H CA -0.144 56.010 56.048 0.178 0.000 1.029 503 H CB -0.131 29.690 29.762 0.099 0.000 1.743 503 H HN 0.492 nan 8.280 nan 0.000 0.632 504 H N 2.059 121.259 119.070 0.217 0.000 2.437 504 H HA -0.154 4.406 4.556 0.005 0.000 0.296 504 H C 0.821 176.187 175.328 0.062 0.000 1.121 504 H CA 1.965 58.098 56.048 0.142 0.000 1.255 504 H CB 0.339 30.134 29.762 0.056 0.000 1.366 504 H HN 0.486 nan 8.280 nan 0.000 0.512 505 D N 0.031 120.533 120.400 0.171 0.000 2.392 505 D HA -0.094 4.549 4.640 0.005 0.000 0.228 505 D C 1.545 177.902 176.300 0.095 0.000 1.003 505 D CA 0.604 54.675 54.000 0.117 0.000 0.917 505 D CB -0.337 40.520 40.800 0.094 0.000 0.890 505 D HN 0.347 nan 8.370 nan 0.000 0.532 506 K N -0.654 119.763 120.400 0.029 0.000 2.314 506 K HA 0.099 4.422 4.320 0.005 0.000 0.198 506 K C 1.025 177.527 176.600 -0.164 0.000 1.045 506 K CA 0.031 56.302 56.287 -0.027 0.000 0.988 506 K CB 0.336 32.827 32.500 -0.016 0.000 0.783 506 K HN 0.072 nan 8.250 nan 0.000 0.484 507 L N 0.398 121.438 121.223 -0.305 0.000 2.416 507 L HA -0.000 4.343 4.340 0.005 0.000 0.216 507 L C 2.273 179.312 176.870 0.281 0.000 1.098 507 L CA 1.497 56.200 54.840 -0.229 0.000 0.840 507 L CB -0.273 41.379 42.059 -0.680 0.000 0.981 507 L HN 0.221 nan 8.230 nan 0.000 0.462 508 T N -4.780 109.909 114.554 0.224 0.000 3.033 508 T HA -0.094 4.259 4.350 0.005 0.000 0.248 508 T C 1.934 176.891 174.700 0.429 0.000 1.040 508 T CA 0.242 62.593 62.100 0.418 0.000 1.133 508 T CB -0.800 68.134 68.868 0.111 0.000 0.895 508 T HN 0.120 nan 8.240 nan 0.000 0.465 509 F N 2.616 122.678 119.950 0.186 0.000 2.236 509 F HA 0.082 4.612 4.527 0.005 0.000 0.302 509 F C 2.193 178.094 175.800 0.168 0.000 1.073 509 F CA 1.059 59.170 58.000 0.185 0.000 1.336 509 F CB -0.354 38.746 39.000 0.167 0.000 1.040 509 F HN 0.325 nan 8.300 nan 0.000 0.507 510 G N 0.183 109.004 108.800 0.036 0.000 2.598 510 G HA2 -0.133 3.830 3.960 0.005 0.000 0.215 510 G HA3 -0.133 3.830 3.960 0.005 0.000 0.215 510 G C 1.458 176.078 174.900 -0.467 0.000 1.131 510 G CA 0.432 45.350 45.100 -0.303 0.000 0.785 510 G HN 0.356 nan 8.290 nan 0.000 0.539 511 I N 0.209 120.659 120.570 -0.199 0.000 2.716 511 I HA 0.061 4.234 4.170 0.005 0.000 0.259 511 I C 2.442 178.422 176.117 -0.228 0.000 1.172 511 I CA 0.418 61.504 61.300 -0.357 0.000 1.478 511 I CB -0.458 37.360 38.000 -0.303 0.000 1.104 511 I HN 0.075 nan 8.210 nan 0.000 0.439 512 L N 0.398 121.525 121.223 -0.160 0.000 2.079 512 L HA -0.226 4.118 4.340 0.005 0.000 0.210 512 L C 1.996 178.868 176.870 0.004 0.000 1.081 512 L CA 1.909 56.730 54.840 -0.032 0.000 0.752 512 L CB -0.805 41.245 42.059 -0.016 0.000 0.896 512 L HN 0.471 nan 8.230 nan 0.000 0.433 513 Y N -4.194 116.023 120.300 -0.138 0.000 2.660 513 Y HA 0.327 4.880 4.550 0.005 0.000 0.254 513 Y C 1.467 177.382 175.900 0.024 0.000 1.176 513 Y CA -0.575 57.504 58.100 -0.035 0.000 1.195 513 Y CB -1.506 36.927 38.460 -0.045 0.000 1.190 513 Y HN 0.112 nan 8.280 nan 0.000 0.535 514 N N 0.304 118.760 118.700 -0.406 0.000 2.573 514 N HA -0.167 4.576 4.740 0.005 0.000 0.187 514 N C -0.131 175.042 175.510 -0.562 0.000 1.107 514 N CA 0.973 53.715 53.050 -0.513 0.000 0.918 514 N CB -0.010 37.870 38.487 -1.012 0.000 0.966 514 N HN 0.541 nan 8.380 nan 0.000 0.448 515 Y N -0.714 119.645 120.300 0.097 0.000 2.531 515 Y HA 0.159 4.712 4.550 0.005 0.000 0.249 515 Y C 2.124 178.030 175.900 0.010 0.000 1.168 515 Y CA 0.066 58.192 58.100 0.043 0.000 1.226 515 Y CB 0.292 38.761 38.460 0.016 0.000 1.177 515 Y HN 0.090 nan 8.280 nan 0.000 0.527 516 T N -3.011 111.612 114.554 0.115 0.000 3.057 516 T HA 0.173 4.526 4.350 0.005 0.000 0.254 516 T C 0.385 175.031 174.700 -0.090 0.000 1.094 516 T CA 0.423 62.558 62.100 0.058 0.000 1.088 516 T CB 0.324 69.275 68.868 0.139 0.000 0.934 516 T HN -0.028 nan 8.240 nan 0.000 0.497 517 E N 1.147 121.174 120.200 -0.288 0.000 2.433 517 E HA 0.382 4.735 4.350 0.005 0.000 0.278 517 E C -1.439 174.698 176.600 -0.771 0.000 0.976 517 E CA -0.826 55.206 56.400 -0.614 0.000 0.793 517 E CB 1.299 30.420 29.700 -0.966 0.000 1.311 517 E HN 0.086 nan 8.360 nan 0.000 0.460 518 N N 1.346 119.622 118.700 -0.706 0.000 2.469 518 N HA 0.302 5.045 4.740 0.005 0.000 0.239 518 N C -0.888 174.514 175.510 -0.179 0.000 1.053 518 N CA 0.039 52.632 53.050 -0.761 0.000 0.937 518 N CB -0.021 37.868 38.487 -0.998 0.000 1.163 518 N HN 0.216 nan 8.380 nan 0.000 0.509 519 F N 0.471 120.650 119.950 0.381 0.000 2.385 519 F HA 0.367 4.897 4.527 0.005 0.000 0.336 519 F C 0.750 176.713 175.800 0.272 0.000 1.100 519 F CA -0.908 57.269 58.000 0.295 0.000 1.116 519 F CB 1.251 40.336 39.000 0.142 0.000 1.166 519 F HN -0.021 nan 8.300 nan 0.000 0.511 520 V N 4.718 124.862 119.914 0.383 0.000 2.417 520 V HA 0.274 4.398 4.120 0.005 0.000 0.291 520 V C -0.134 175.883 176.094 -0.129 0.000 1.024 520 V CA -0.868 61.468 62.300 0.060 0.000 0.861 520 V CB 1.612 33.449 31.823 0.023 0.000 0.985 520 V HN 0.496 nan 8.190 nan 0.000 0.436 521 L N 8.322 129.337 121.223 -0.347 0.000 2.325 521 L HA 0.394 4.738 4.340 0.005 0.000 0.284 521 L C -2.359 174.258 176.870 -0.422 0.000 1.089 521 L CA -1.238 53.284 54.840 -0.531 0.000 0.836 521 L CB 0.780 42.246 42.059 -0.988 0.000 1.184 521 L HN 0.443 nan 8.230 nan 0.000 0.444 522 P HA 0.318 nan 4.420 nan 0.000 0.306 522 P C -0.932 176.220 177.300 -0.246 0.000 1.415 522 P CA -0.616 62.169 63.100 -0.525 0.000 0.959 522 P CB 2.065 33.111 31.700 -1.090 0.000 1.003 523 L N 2.854 123.985 121.223 -0.152 0.000 2.426 523 L HA 0.338 4.681 4.340 0.005 0.000 0.255 523 L C 0.900 177.740 176.870 -0.051 0.000 1.080 523 L CA 0.175 55.010 54.840 -0.010 0.000 0.960 523 L CB -0.018 42.136 42.059 0.158 0.000 1.326 523 L HN 0.405 nan 8.230 nan 0.000 0.441 524 S N -0.472 115.123 115.700 -0.175 0.000 2.768 524 S HA 0.329 4.802 4.470 0.005 0.000 0.300 524 S C 1.471 175.832 174.600 -0.399 0.000 1.122 524 S CA 0.104 58.183 58.200 -0.202 0.000 0.995 524 S CB 0.561 63.619 63.200 -0.237 0.000 1.195 524 S HN 0.723 nan 8.310 nan 0.000 0.547 525 H N -0.603 117.964 119.070 -0.838 0.000 2.422 525 H HA 0.007 4.566 4.556 0.005 0.000 0.298 525 H C 1.103 176.135 175.328 -0.494 0.000 1.098 525 H CA 1.749 56.973 56.048 -1.372 0.000 1.315 525 H CB -0.614 28.058 29.762 -1.818 0.000 1.382 525 H HN 0.579 nan 8.280 nan 0.000 0.523 526 D N 0.741 120.697 120.400 -0.740 0.000 2.263 526 D HA -0.113 4.530 4.640 0.005 0.000 0.208 526 D C 1.385 177.633 176.300 -0.088 0.000 0.971 526 D CA 0.925 54.758 54.000 -0.279 0.000 0.867 526 D CB 0.000 40.671 40.800 -0.215 0.000 0.929 526 D HN 0.574 nan 8.370 nan 0.000 0.492 527 E N 0.230 120.353 120.200 -0.129 0.000 2.371 527 E HA -0.025 4.328 4.350 0.005 0.000 0.194 527 E C 1.335 177.939 176.600 0.008 0.000 1.012 527 E CA 0.222 56.595 56.400 -0.045 0.000 0.860 527 E CB 0.548 30.213 29.700 -0.058 0.000 0.811 527 E HN 0.236 nan 8.360 nan 0.000 0.502 528 V N -1.156 118.766 119.914 0.014 0.000 2.759 528 V HA 0.404 4.528 4.120 0.005 0.000 0.342 528 V C 0.168 176.347 176.094 0.142 0.000 1.228 528 V CA -0.697 61.658 62.300 0.092 0.000 1.302 528 V CB -0.144 31.767 31.823 0.146 0.000 1.496 528 V HN -0.100 nan 8.190 nan 0.000 0.628 529 V N -3.810 116.163 119.914 0.098 0.000 3.103 529 V HA 0.673 4.796 4.120 0.005 0.000 0.311 529 V C 0.486 176.620 176.094 0.066 0.000 1.322 529 V CA -0.843 61.478 62.300 0.034 0.000 1.063 529 V CB 1.511 33.297 31.823 -0.062 0.000 1.090 529 V HN 0.526 nan 8.190 nan 0.000 0.462 530 H N 0.388 119.553 119.070 0.158 0.000 2.655 530 H HA -0.166 4.393 4.556 0.005 0.000 0.313 530 H C 1.373 176.748 175.328 0.078 0.000 1.141 530 H CA 1.682 57.798 56.048 0.113 0.000 1.138 530 H CB -1.513 28.318 29.762 0.115 0.000 1.446 530 H HN 2.290 nan 8.280 nan 0.000 0.415 531 G N -0.036 108.856 108.800 0.154 0.000 2.221 531 G HA2 -0.377 3.587 3.960 0.005 0.000 0.265 531 G HA3 -0.377 3.587 3.960 0.005 0.000 0.265 531 G C 1.014 175.966 174.900 0.087 0.000 1.041 531 G CA 0.722 45.883 45.100 0.102 0.000 0.807 531 G HN 0.574 nan 8.290 nan 0.000 0.502 532 K N -0.268 120.188 120.400 0.094 0.000 2.367 532 K HA 0.210 4.533 4.320 0.005 0.000 0.194 532 K C 1.042 177.669 176.600 0.045 0.000 1.027 532 K CA 0.503 56.833 56.287 0.070 0.000 1.075 532 K CB 0.139 32.690 32.500 0.084 0.000 0.845 532 K HN 0.608 nan 8.250 nan 0.000 0.529 533 K N -0.003 120.427 120.400 0.049 0.000 1.857 533 K HA -0.162 4.161 4.320 0.005 0.000 0.673 533 K C -0.141 176.483 176.600 0.040 0.000 2.567 533 K CA 0.506 56.814 56.287 0.035 0.000 1.857 533 K CB -0.951 31.554 32.500 0.009 0.000 2.792 533 K HN 0.309 nan 8.250 nan 0.000 0.151 534 S N 0.184 115.905 115.700 0.035 0.000 2.641 534 S HA 0.332 4.805 4.470 0.005 0.000 0.261 534 S C 1.517 176.125 174.600 0.013 0.000 1.257 534 S CA -0.730 57.495 58.200 0.041 0.000 0.983 534 S CB 0.524 63.744 63.200 0.032 0.000 0.990 534 S HN 0.452 nan 8.310 nan 0.000 0.572 535 I N 0.221 120.809 120.570 0.030 0.000 2.315 535 I HA -0.081 4.092 4.170 0.005 0.000 0.248 535 I C 2.313 178.391 176.117 -0.065 0.000 1.117 535 I CA 1.091 62.401 61.300 0.016 0.000 1.404 535 I CB -1.636 36.437 38.000 0.121 0.000 1.071 535 I HN 0.639 nan 8.210 nan 0.000 0.419 536 L N 1.243 122.414 121.223 -0.086 0.000 2.141 536 L HA -0.146 4.197 4.340 0.005 0.000 0.209 536 L C 1.644 178.403 176.870 -0.185 0.000 1.094 536 L CA 1.910 56.631 54.840 -0.198 0.000 0.763 536 L CB -0.817 41.090 42.059 -0.253 0.000 0.908 536 L HN 0.071 nan 8.230 nan 0.000 0.437 537 D N -1.015 119.321 120.400 -0.106 0.000 2.371 537 D HA -0.059 4.584 4.640 0.005 0.000 0.221 537 D C 2.111 178.356 176.300 -0.091 0.000 0.986 537 D CA 0.457 54.407 54.000 -0.083 0.000 0.899 537 D CB 0.094 40.873 40.800 -0.034 0.000 0.902 537 D HN 0.252 nan 8.370 nan 0.000 0.530 538 R N -0.516 119.919 120.500 -0.109 0.000 2.236 538 R HA 0.085 4.428 4.340 0.005 0.000 0.208 538 R C 0.347 176.553 176.300 -0.158 0.000 1.036 538 R CA 0.366 56.392 56.100 -0.124 0.000 1.001 538 R CB 0.203 30.424 30.300 -0.133 0.000 0.896 538 R HN 0.150 nan 8.270 nan 0.000 0.464 539 M N 1.658 121.150 119.600 -0.179 0.000 2.242 539 M HA 0.237 4.720 4.480 0.005 0.000 0.344 539 M C -2.145 174.052 176.300 -0.172 0.000 1.140 539 M CA -2.151 53.031 55.300 -0.196 0.000 1.160 539 M CB 0.404 32.868 32.600 -0.227 0.000 1.491 539 M HN -0.169 nan 8.290 nan 0.000 0.459 540 P HA 0.631 nan 4.420 nan 0.000 0.283 540 P C -0.022 177.169 177.300 -0.182 0.000 1.271 540 P CA 0.105 63.114 63.100 -0.152 0.000 0.841 540 P CB 1.402 33.017 31.700 -0.141 0.000 1.122 541 G N 1.369 110.070 108.800 -0.164 0.000 2.710 541 G HA2 -0.057 3.907 3.960 0.005 0.000 0.668 541 G HA3 -0.057 3.907 3.960 0.005 0.000 0.668 541 G C -0.798 173.988 174.900 -0.190 0.000 1.320 541 G CA -0.224 44.750 45.100 -0.210 0.000 0.860 541 G HN 0.820 nan 8.290 nan 0.000 0.538 542 D N 0.063 120.328 120.400 -0.226 0.000 2.325 542 D HA 0.495 5.138 4.640 0.005 0.000 0.237 542 D C 1.773 177.987 176.300 -0.143 0.000 1.328 542 D CA 0.917 54.841 54.000 -0.127 0.000 0.918 542 D CB -0.152 40.613 40.800 -0.059 0.000 1.156 542 D HN 1.418 nan 8.370 nan 0.000 0.485 543 A N 0.186 123.084 122.820 0.130 0.000 1.851 543 A HA -0.177 4.146 4.320 0.005 0.000 0.216 543 A C 2.038 179.756 177.584 0.224 0.000 1.195 543 A CA 2.424 54.674 52.037 0.355 0.000 0.622 543 A CB -1.426 18.030 19.000 0.760 0.000 0.831 543 A HN 0.827 nan 8.150 nan 0.000 0.444 544 W N -0.138 121.146 121.300 -0.026 0.000 2.331 544 W HA -0.223 4.440 4.660 0.005 0.000 0.291 544 W C 1.566 177.971 176.519 -0.190 0.000 1.214 544 W CA 1.306 58.384 57.345 -0.445 0.000 1.228 544 W CB -1.248 28.006 29.460 -0.345 0.000 1.135 544 W HN 0.466 nan 8.180 nan 0.000 0.537 545 Q N 1.007 120.404 119.800 -0.671 0.000 2.123 545 Q HA -0.119 4.224 4.340 0.005 0.000 0.199 545 Q C 2.332 178.159 176.000 -0.288 0.000 0.966 545 Q CA 1.775 57.241 55.803 -0.561 0.000 0.845 545 Q CB -0.118 28.162 28.738 -0.764 0.000 0.907 545 Q HN 0.297 nan 8.270 nan 0.000 0.439 546 K N -0.332 119.917 120.400 -0.251 0.000 2.097 546 K HA -0.114 4.209 4.320 0.005 0.000 0.205 546 K C 1.613 178.034 176.600 -0.298 0.000 1.050 546 K CA 1.193 57.318 56.287 -0.270 0.000 0.938 546 K CB -0.049 32.267 32.500 -0.307 0.000 0.718 546 K HN 0.113 nan 8.250 nan 0.000 0.442 547 F N 0.692 120.527 119.950 -0.193 0.000 2.259 547 F HA -0.078 4.452 4.527 0.005 0.000 0.298 547 F C 2.407 178.110 175.800 -0.162 0.000 1.088 547 F CA 0.862 58.747 58.000 -0.191 0.000 1.358 547 F CB -0.238 38.586 39.000 -0.293 0.000 1.040 547 F HN 0.022 nan 8.300 nan 0.000 0.505 548 A N 0.208 123.031 122.820 0.005 0.000 1.898 548 A HA -0.158 4.165 4.320 0.005 0.000 0.216 548 A C 2.160 179.741 177.584 -0.005 0.000 1.181 548 A CA 1.576 53.617 52.037 0.006 0.000 0.620 548 A CB -0.769 18.240 19.000 0.015 0.000 0.819 548 A HN 0.313 nan 8.150 nan 0.000 0.442 549 N N -0.117 118.556 118.700 -0.045 0.000 2.043 549 N HA -0.184 4.559 4.740 0.005 0.000 0.193 549 N C 1.726 177.232 175.510 -0.006 0.000 1.037 549 N CA 1.810 54.851 53.050 -0.015 0.000 0.851 549 N CB -0.448 37.987 38.487 -0.086 0.000 1.027 549 N HN 0.418 nan 8.380 nan 0.000 0.422 550 L N 2.060 123.216 121.223 -0.112 0.000 2.046 550 L HA -0.107 4.237 4.340 0.005 0.000 0.208 550 L C 2.302 179.015 176.870 -0.261 0.000 1.077 550 L CA 1.513 56.223 54.840 -0.216 0.000 0.747 550 L CB -0.415 41.459 42.059 -0.308 0.000 0.896 550 L HN 0.030 nan 8.230 nan 0.000 0.432 551 R N -0.591 119.846 120.500 -0.105 0.000 2.081 551 R HA -0.100 4.243 4.340 0.005 0.000 0.235 551 R C 2.249 178.579 176.300 0.049 0.000 1.131 551 R CA 1.312 57.389 56.100 -0.037 0.000 0.960 551 R CB -0.638 29.667 30.300 0.008 0.000 0.856 551 R HN 0.551 nan 8.270 nan 0.000 0.436 552 A N 0.369 123.245 122.820 0.094 0.000 1.902 552 A HA -0.229 4.094 4.320 0.005 0.000 0.217 552 A C 1.984 179.812 177.584 0.407 0.000 1.181 552 A CA 1.210 53.347 52.037 0.167 0.000 0.623 552 A CB -0.823 18.227 19.000 0.084 0.000 0.818 552 A HN 0.521 nan 8.150 nan 0.000 0.443 553 Y N -1.211 119.255 120.300 0.276 0.000 2.128 553 Y HA -0.310 4.244 4.550 0.005 0.000 0.284 553 Y C 2.281 178.508 175.900 0.545 0.000 1.154 553 Y CA 1.949 60.267 58.100 0.363 0.000 1.149 553 Y CB -0.230 38.294 38.460 0.108 0.000 0.976 553 Y HN 0.382 nan 8.280 nan 0.000 0.505 554 Y N 0.156 120.595 120.300 0.231 0.000 2.224 554 Y HA -0.092 4.461 4.550 0.005 0.000 0.289 554 Y C 2.622 178.705 175.900 0.306 0.000 1.146 554 Y CA 0.692 58.909 58.100 0.194 0.000 1.182 554 Y CB -1.396 37.103 38.460 0.064 0.000 0.983 554 Y HN 0.236 nan 8.280 nan 0.000 0.524 555 G N -0.615 108.432 108.800 0.411 0.000 2.418 555 G HA2 -0.267 3.696 3.960 0.005 0.000 0.217 555 G HA3 -0.267 3.696 3.960 0.005 0.000 0.217 555 G C 1.709 177.014 174.900 0.674 0.000 1.158 555 G CA 0.639 45.971 45.100 0.386 0.000 0.771 555 G HN 0.534 nan 8.290 nan 0.000 0.545 556 W N 0.801 122.392 121.300 0.485 0.000 2.378 556 W HA -0.066 4.597 4.660 0.005 0.000 0.313 556 W C 2.418 179.264 176.519 0.546 0.000 1.197 556 W CA 1.462 59.147 57.345 0.566 0.000 1.304 556 W CB -0.274 29.564 29.460 0.629 0.000 1.148 556 W HN 0.293 nan 8.180 nan 0.000 0.494 557 M N -0.021 119.935 119.600 0.592 0.000 2.106 557 M HA -0.293 4.191 4.480 0.005 0.000 0.259 557 M C 2.123 178.505 176.300 0.137 0.000 1.068 557 M CA 2.355 57.867 55.300 0.353 0.000 1.100 557 M CB -0.980 31.776 32.600 0.259 0.000 1.351 557 M HN 0.077 nan 8.290 nan 0.000 0.404 558 W N -0.110 121.268 121.300 0.130 0.000 2.800 558 W HA 0.062 4.725 4.660 0.005 0.000 0.249 558 W C 1.938 178.506 176.519 0.082 0.000 1.294 558 W CA 0.982 58.363 57.345 0.061 0.000 1.402 558 W CB 0.023 29.599 29.460 0.194 0.000 1.126 558 W HN 0.444 nan 8.180 nan 0.000 0.652 559 A N -1.206 121.770 122.820 0.259 0.000 2.252 559 A HA 0.061 4.384 4.320 0.005 0.000 0.213 559 A C 0.204 177.762 177.584 -0.043 0.000 1.188 559 A CA -0.214 51.794 52.037 -0.048 0.000 0.863 559 A CB -0.548 18.350 19.000 -0.170 0.000 0.893 559 A HN 0.026 nan 8.150 nan 0.000 0.495 560 F N 1.487 121.258 119.950 -0.300 0.000 2.456 560 F HA 0.411 4.941 4.527 0.005 0.000 0.358 560 F C -2.247 173.246 175.800 -0.512 0.000 1.095 560 F CA -2.419 55.270 58.000 -0.519 0.000 1.216 560 F CB 0.742 39.404 39.000 -0.563 0.000 1.125 560 F HN -0.053 nan 8.300 nan 0.000 0.549 561 P HA 0.196 nan 4.420 nan 0.000 0.259 561 P C -0.486 176.539 177.300 -0.458 0.000 1.163 561 P CA 0.801 63.505 63.100 -0.662 0.000 0.760 561 P CB 0.041 31.216 31.700 -0.876 0.000 0.762 562 G N 1.634 110.215 108.800 -0.366 0.000 2.348 562 G HA2 0.095 4.059 3.960 0.005 0.000 0.606 562 G HA3 0.095 4.059 3.960 0.005 0.000 0.606 562 G C -1.286 173.493 174.900 -0.202 0.000 1.466 562 G CA -0.985 43.994 45.100 -0.202 0.000 0.950 562 G HN 0.243 nan 8.290 nan 0.000 0.657 563 K N 0.461 120.820 120.400 -0.068 0.000 2.149 563 K HA 0.541 4.864 4.320 0.005 0.000 0.245 563 K C 0.270 176.657 176.600 -0.354 0.000 1.024 563 K CA -0.234 55.964 56.287 -0.149 0.000 0.899 563 K CB 0.617 33.051 32.500 -0.110 0.000 1.038 563 K HN 0.552 nan 8.250 nan 0.000 0.496 564 K N 0.912 121.048 120.400 -0.441 0.000 2.318 564 K HA 0.526 4.849 4.320 0.005 0.000 0.249 564 K C -0.555 175.818 176.600 -0.379 0.000 0.942 564 K CA -0.828 55.084 56.287 -0.624 0.000 0.808 564 K CB 1.852 33.635 32.500 -1.195 0.000 1.189 564 K HN 0.519 nan 8.250 nan 0.000 0.428 565 L N 2.438 123.448 121.223 -0.355 0.000 2.470 565 L HA 0.460 4.804 4.340 0.005 0.000 0.268 565 L C -1.900 174.898 176.870 -0.120 0.000 0.964 565 L CA -0.999 53.715 54.840 -0.210 0.000 0.839 565 L CB 1.616 43.474 42.059 -0.336 0.000 1.276 565 L HN 0.528 nan 8.230 nan 0.000 0.403 566 L N 4.800 126.042 121.223 0.031 0.000 2.406 566 L HA 0.524 4.868 4.340 0.005 0.000 0.272 566 L C -1.184 175.727 176.870 0.069 0.000 0.980 566 L CA -0.155 54.759 54.840 0.123 0.000 0.831 566 L CB 1.661 43.918 42.059 0.331 0.000 1.253 566 L HN 0.528 nan 8.230 nan 0.000 0.406 567 F N 6.280 126.169 119.950 -0.102 0.000 2.427 567 F HA 0.429 4.959 4.527 0.005 0.000 0.352 567 F C 0.730 176.402 175.800 -0.214 0.000 1.100 567 F CA -0.923 56.944 58.000 -0.222 0.000 1.191 567 F CB 0.824 39.698 39.000 -0.210 0.000 1.128 567 F HN 0.652 nan 8.300 nan 0.000 0.533 568 M N 4.974 123.886 119.600 -1.146 0.000 2.209 568 M HA 0.207 4.690 4.480 0.005 0.000 0.361 568 M C 0.926 176.848 176.300 -0.630 0.000 1.211 568 M CA 1.319 56.148 55.300 -0.785 0.000 0.899 568 M CB -0.730 31.448 32.600 -0.703 0.000 1.817 568 M HN 1.079 nan 8.290 nan 0.000 0.476 569 G N 2.696 111.278 108.800 -0.364 0.000 2.284 569 G HA2 -0.307 3.656 3.960 0.005 0.000 0.230 569 G HA3 -0.307 3.656 3.960 0.005 0.000 0.230 569 G C 0.624 175.121 174.900 -0.672 0.000 1.021 569 G CA 0.497 45.123 45.100 -0.790 0.000 0.619 569 G HN 0.867 nan 8.290 nan 0.000 0.510 570 N N 1.051 119.625 118.700 -0.211 0.000 2.331 570 N HA -0.002 4.741 4.740 0.005 0.000 0.180 570 N C 2.054 177.645 175.510 0.135 0.000 1.019 570 N CA 1.097 54.165 53.050 0.030 0.000 0.881 570 N CB -0.141 38.456 38.487 0.182 0.000 0.972 570 N HN 0.697 nan 8.380 nan 0.000 0.435 571 E N 1.621 121.913 120.200 0.155 0.000 2.208 571 E HA -0.175 4.179 4.350 0.005 0.000 0.193 571 E C 0.819 177.637 176.600 0.364 0.000 0.988 571 E CA 0.963 57.536 56.400 0.289 0.000 0.828 571 E CB -0.297 29.662 29.700 0.431 0.000 0.763 571 E HN 0.622 nan 8.360 nan 0.000 0.478 572 F N -0.660 119.425 119.950 0.225 0.000 2.647 572 F HA 0.728 5.258 4.527 0.005 0.000 0.300 572 F C 0.516 176.524 175.800 0.347 0.000 1.106 572 F CA -0.701 57.437 58.000 0.230 0.000 1.313 572 F CB 0.141 39.204 39.000 0.105 0.000 1.007 572 F HN 0.043 nan 8.300 nan 0.000 0.536 573 A N 1.145 124.061 122.820 0.160 0.000 2.303 573 A HA -0.295 4.028 4.320 0.005 0.000 0.286 573 A C 0.351 178.055 177.584 0.201 0.000 1.429 573 A CA 0.802 52.957 52.037 0.195 0.000 0.738 573 A CB -2.290 16.897 19.000 0.312 0.000 1.149 573 A HN 0.770 nan 8.150 nan 0.000 0.364 574 Q N -0.227 119.469 119.800 -0.172 0.000 2.311 574 Q HA 0.355 4.698 4.340 0.005 0.000 0.272 574 Q C 1.514 177.526 176.000 0.020 0.000 1.012 574 Q CA 0.738 56.461 55.803 -0.134 0.000 0.891 574 Q CB 0.574 29.128 28.738 -0.307 0.000 1.201 574 Q HN 0.939 nan 8.270 nan 0.000 0.391 575 G N 4.506 113.362 108.800 0.093 0.000 2.408 575 G HA2 -0.078 3.885 3.960 0.005 0.000 0.215 575 G HA3 -0.078 3.885 3.960 0.005 0.000 0.215 575 G C 0.321 175.257 174.900 0.059 0.000 1.156 575 G CA 0.022 45.175 45.100 0.089 0.000 0.793 575 G HN 0.497 nan 8.290 nan 0.000 0.535 576 R N 0.971 121.507 120.500 0.061 0.000 2.500 576 R HA 0.356 4.699 4.340 0.005 0.000 0.277 576 R C -0.279 176.068 176.300 0.079 0.000 1.026 576 R CA -0.431 55.709 56.100 0.067 0.000 1.058 576 R CB 1.073 31.419 30.300 0.076 0.000 1.078 576 R HN 0.317 nan 8.270 nan 0.000 0.509 577 E N 1.018 121.271 120.200 0.088 0.000 2.438 577 E HA -0.132 4.221 4.350 0.005 0.000 0.261 577 E C -0.558 176.152 176.600 0.183 0.000 1.103 577 E CA 0.023 56.499 56.400 0.127 0.000 0.959 577 E CB 0.397 30.155 29.700 0.097 0.000 0.958 577 E HN 0.390 nan 8.360 nan 0.000 0.447 578 W N 3.197 124.527 121.300 0.050 0.000 2.210 578 W HA 0.020 4.684 4.660 0.005 0.000 0.330 578 W C -0.421 176.133 176.519 0.058 0.000 1.334 578 W CA -0.203 57.189 57.345 0.078 0.000 1.227 578 W CB 0.177 29.739 29.460 0.170 0.000 1.178 578 W HN 0.397 nan 8.180 nan 0.000 0.560 579 N N 3.889 122.405 118.700 -0.307 0.000 2.483 579 N HA 0.062 4.805 4.740 0.005 0.000 0.267 579 N C 0.744 175.892 175.510 -0.603 0.000 0.998 579 N CA -0.525 52.240 53.050 -0.475 0.000 0.918 579 N CB 0.605 38.985 38.487 -0.178 0.000 1.215 579 N HN 0.747 nan 8.380 nan 0.000 0.500 580 H N 1.433 119.991 119.070 -0.853 0.000 2.545 580 H HA 0.018 4.577 4.556 0.005 0.000 0.282 580 H C 0.660 176.055 175.328 0.112 0.000 1.020 580 H CA 0.870 56.687 56.048 -0.385 0.000 1.243 580 H CB 0.275 29.781 29.762 -0.427 0.000 1.377 580 H HN 0.464 nan 8.280 nan 0.000 0.581 581 D N 0.289 120.401 120.400 -0.480 0.000 2.333 581 D HA 0.268 4.911 4.640 0.005 0.000 0.208 581 D C 0.384 176.679 176.300 -0.009 0.000 0.984 581 D CA 0.693 54.548 54.000 -0.242 0.000 0.873 581 D CB 0.258 40.839 40.800 -0.366 0.000 0.935 581 D HN 0.562 nan 8.370 nan 0.000 0.521 582 A N -0.789 122.048 122.820 0.029 0.000 2.423 582 A HA 0.595 4.918 4.320 0.005 0.000 0.304 582 A C -0.011 177.690 177.584 0.194 0.000 1.104 582 A CA -0.514 51.580 52.037 0.095 0.000 0.757 582 A CB 1.495 20.527 19.000 0.053 0.000 1.313 582 A HN -0.016 nan 8.150 nan 0.000 0.423 583 S N -0.029 115.791 115.700 0.200 0.000 2.560 583 S HA 0.271 4.744 4.470 0.005 0.000 0.276 583 S C 0.368 175.101 174.600 0.220 0.000 1.350 583 S CA -0.193 58.151 58.200 0.239 0.000 1.024 583 S CB -0.395 62.930 63.200 0.208 0.000 0.864 583 S HN 0.496 nan 8.310 nan 0.000 0.536 584 L N 2.303 123.646 121.223 0.201 0.000 2.476 584 L HA 0.149 4.492 4.340 0.005 0.000 0.264 584 L C 0.571 177.428 176.870 -0.021 0.000 1.224 584 L CA -0.302 54.543 54.840 0.009 0.000 0.821 584 L CB 0.150 42.038 42.059 -0.287 0.000 1.101 584 L HN 0.617 nan 8.230 nan 0.000 0.488 585 D N 0.982 121.351 120.400 -0.053 0.000 2.848 585 D HA -0.025 4.618 4.640 0.005 0.000 0.232 585 D C 0.705 176.836 176.300 -0.282 0.000 1.107 585 D CA 0.352 54.289 54.000 -0.104 0.000 1.020 585 D CB -0.249 40.454 40.800 -0.162 0.000 1.148 585 D HN 0.387 nan 8.370 nan 0.000 0.453 586 W N 0.292 121.489 121.300 -0.171 0.000 2.480 586 W HA -0.143 4.521 4.660 0.005 0.000 0.257 586 W C 2.396 178.713 176.519 -0.337 0.000 1.235 586 W CA 0.474 57.574 57.345 -0.408 0.000 1.218 586 W CB -0.264 28.971 29.460 -0.376 0.000 1.131 586 W HN 0.465 nan 8.180 nan 0.000 0.606 587 H N -1.145 117.943 119.070 0.029 0.000 2.462 587 H HA -0.019 4.540 4.556 0.005 0.000 0.292 587 H C 1.878 177.178 175.328 -0.046 0.000 1.049 587 H CA 1.014 57.063 56.048 0.002 0.000 1.334 587 H CB -0.858 28.912 29.762 0.013 0.000 1.404 587 H HN 0.217 nan 8.280 nan 0.000 0.544 588 L N 0.863 121.761 121.223 -0.542 0.000 2.189 588 L HA -0.150 4.193 4.340 0.005 0.000 0.214 588 L C 2.149 178.859 176.870 -0.266 0.000 1.097 588 L CA 0.884 55.474 54.840 -0.416 0.000 0.764 588 L CB -0.235 41.382 42.059 -0.737 0.000 0.900 588 L HN 0.248 nan 8.230 nan 0.000 0.436 589 L N -0.955 120.108 121.223 -0.266 0.000 2.627 589 L HA 0.082 4.425 4.340 0.005 0.000 0.232 589 L C 0.626 177.542 176.870 0.077 0.000 1.150 589 L CA -0.205 54.486 54.840 -0.249 0.000 0.917 589 L CB -0.207 41.696 42.059 -0.260 0.000 1.104 589 L HN 0.137 nan 8.230 nan 0.000 0.445 590 E N 0.610 120.858 120.200 0.080 0.000 2.318 590 E HA 0.516 4.869 4.350 0.005 0.000 0.265 590 E C 0.655 177.341 176.600 0.143 0.000 1.069 590 E CA 0.474 56.945 56.400 0.118 0.000 0.893 590 E CB 1.312 31.067 29.700 0.091 0.000 1.076 590 E HN 0.194 nan 8.360 nan 0.000 0.414 591 G N 0.708 109.569 108.800 0.102 0.000 2.681 591 G HA2 -0.129 3.834 3.960 0.005 0.000 0.220 591 G HA3 -0.129 3.834 3.960 0.005 0.000 0.220 591 G C 0.353 175.291 174.900 0.063 0.000 1.353 591 G CA -0.503 44.640 45.100 0.071 0.000 0.872 591 G HN 0.712 nan 8.290 nan 0.000 0.557 592 G N -0.833 107.984 108.800 0.028 0.000 2.636 592 G HA2 0.460 4.423 3.960 0.005 0.000 0.246 592 G HA3 0.460 4.423 3.960 0.005 0.000 0.246 592 G C 0.013 174.906 174.900 -0.011 0.000 1.216 592 G CA 0.793 45.887 45.100 -0.011 0.000 0.854 592 G HN 0.949 nan 8.290 nan 0.000 0.572 593 D N -0.370 119.994 120.400 -0.060 0.000 2.531 593 D HA 0.192 4.835 4.640 0.005 0.000 0.239 593 D C 0.580 176.984 176.300 0.172 0.000 1.144 593 D CA 0.681 54.672 54.000 -0.015 0.000 0.869 593 D CB 0.372 41.212 40.800 0.067 0.000 1.160 593 D HN 0.562 nan 8.370 nan 0.000 0.484 594 N N 1.725 120.622 118.700 0.329 0.000 2.761 594 N HA 0.268 5.011 4.740 0.005 0.000 0.283 594 N C 0.077 175.464 175.510 -0.204 0.000 1.377 594 N CA -0.854 52.159 53.050 -0.061 0.000 0.791 594 N CB -0.032 38.448 38.487 -0.013 0.000 1.540 594 N HN 0.232 nan 8.380 nan 0.000 0.539 595 W N 0.020 120.964 121.300 -0.593 0.000 2.331 595 W HA -0.073 4.590 4.660 0.005 0.000 0.291 595 W C 1.819 178.083 176.519 -0.426 0.000 1.214 595 W CA 1.156 58.036 57.345 -0.775 0.000 1.228 595 W CB -1.191 27.436 29.460 -1.388 0.000 1.135 595 W HN 0.618 nan 8.180 nan 0.000 0.537 596 H N -1.794 117.303 119.070 0.045 0.000 2.428 596 H HA -0.083 4.476 4.556 0.005 0.000 0.296 596 H C 1.991 177.410 175.328 0.152 0.000 1.062 596 H CA 1.524 57.670 56.048 0.164 0.000 1.350 596 H CB -0.454 29.371 29.762 0.106 0.000 1.403 596 H HN 0.268 nan 8.280 nan 0.000 0.533 597 H N -0.160 119.110 119.070 0.332 0.000 2.421 597 H HA -0.060 4.499 4.556 0.005 0.000 0.298 597 H C 2.449 177.990 175.328 0.356 0.000 1.087 597 H CA 0.969 57.207 56.048 0.316 0.000 1.330 597 H CB -0.330 29.597 29.762 0.275 0.000 1.388 597 H HN 0.414 nan 8.280 nan 0.000 0.526 598 G N 0.669 109.776 108.800 0.512 0.000 2.421 598 G HA2 -0.197 3.766 3.960 0.005 0.000 0.216 598 G HA3 -0.197 3.766 3.960 0.005 0.000 0.216 598 G C 1.946 177.079 174.900 0.387 0.000 1.171 598 G CA 1.104 46.530 45.100 0.544 0.000 0.775 598 G HN 0.270 nan 8.290 nan 0.000 0.543 599 V N 0.546 120.652 119.914 0.319 0.000 2.407 599 V HA -0.226 3.898 4.120 0.005 0.000 0.248 599 V C 2.751 178.981 176.094 0.226 0.000 1.055 599 V CA 2.226 64.681 62.300 0.258 0.000 1.049 599 V CB -0.468 31.560 31.823 0.343 0.000 0.662 599 V HN 0.488 nan 8.190 nan 0.000 0.455 600 Q N -0.221 119.763 119.800 0.306 0.000 2.124 600 Q HA -0.206 4.137 4.340 0.005 0.000 0.202 600 Q C 2.501 178.617 176.000 0.194 0.000 0.977 600 Q CA 1.531 57.510 55.803 0.293 0.000 0.850 600 Q CB -0.013 28.956 28.738 0.384 0.000 0.901 600 Q HN 0.538 nan 8.270 nan 0.000 0.429 601 R N -0.121 120.524 120.500 0.242 0.000 2.092 601 R HA -0.133 4.211 4.340 0.005 0.000 0.231 601 R C 2.374 178.705 176.300 0.051 0.000 1.119 601 R CA 0.978 57.215 56.100 0.227 0.000 0.970 601 R CB -0.268 30.266 30.300 0.390 0.000 0.864 601 R HN 0.252 nan 8.270 nan 0.000 0.440 602 L N 0.727 121.839 121.223 -0.185 0.000 1.994 602 L HA -0.162 4.181 4.340 0.005 0.000 0.208 602 L C 2.077 178.655 176.870 -0.486 0.000 1.071 602 L CA 1.677 56.109 54.840 -0.680 0.000 0.745 602 L CB -0.576 41.013 42.059 -0.784 0.000 0.892 602 L HN -0.113 nan 8.230 nan 0.000 0.431 603 V N 0.199 119.887 119.914 -0.378 0.000 2.380 603 V HA -0.335 3.789 4.120 0.005 0.000 0.251 603 V C 2.816 178.560 176.094 -0.584 0.000 1.063 603 V CA 2.234 64.188 62.300 -0.576 0.000 1.055 603 V CB -0.858 30.745 31.823 -0.366 0.000 0.657 603 V HN 0.543 nan 8.190 nan 0.000 0.455 604 R N -0.037 120.241 120.500 -0.371 0.000 2.073 604 R HA -0.175 4.169 4.340 0.005 0.000 0.234 604 R C 2.096 178.192 176.300 -0.340 0.000 1.134 604 R CA 2.048 57.927 56.100 -0.369 0.000 0.952 604 R CB -0.335 29.802 30.300 -0.271 0.000 0.850 604 R HN 0.507 nan 8.270 nan 0.000 0.433 605 D N 0.584 120.825 120.400 -0.266 0.000 2.117 605 D HA -0.163 4.480 4.640 0.005 0.000 0.197 605 D C 1.881 178.009 176.300 -0.286 0.000 0.987 605 D CA 0.746 54.620 54.000 -0.210 0.000 0.829 605 D CB -0.201 40.543 40.800 -0.094 0.000 0.961 605 D HN 0.124 nan 8.370 nan 0.000 0.460 606 L N 1.318 122.249 121.223 -0.488 0.000 2.013 606 L HA -0.169 4.174 4.340 0.005 0.000 0.212 606 L C 1.909 178.558 176.870 -0.369 0.000 1.073 606 L CA 1.570 56.023 54.840 -0.644 0.000 0.753 606 L CB -1.086 40.230 42.059 -1.239 0.000 0.890 606 L HN 0.025 nan 8.230 nan 0.000 0.432 607 N N -0.754 117.707 118.700 -0.398 0.000 2.142 607 N HA -0.120 4.623 4.740 0.005 0.000 0.186 607 N C 1.948 177.514 175.510 0.094 0.000 1.023 607 N CA 1.086 54.130 53.050 -0.010 0.000 0.852 607 N CB -0.238 38.082 38.487 -0.277 0.000 0.998 607 N HN 0.299 nan 8.380 nan 0.000 0.424 608 L N 0.480 121.668 121.223 -0.058 0.000 2.027 608 L HA -0.127 4.216 4.340 0.005 0.000 0.206 608 L C 2.172 179.095 176.870 0.089 0.000 1.074 608 L CA 1.173 55.991 54.840 -0.037 0.000 0.745 608 L CB -0.913 41.062 42.059 -0.139 0.000 0.898 608 L HN 0.164 nan 8.230 nan 0.000 0.433 609 T N -1.011 113.634 114.554 0.151 0.000 2.674 609 T HA -0.272 4.081 4.350 0.005 0.000 0.265 609 T C 1.727 176.758 174.700 0.551 0.000 1.039 609 T CA 1.602 63.909 62.100 0.346 0.000 1.150 609 T CB -0.546 68.523 68.868 0.336 0.000 0.864 609 T HN 0.336 nan 8.240 nan 0.000 0.427 610 Y N 2.381 122.970 120.300 0.483 0.000 2.181 610 Y HA -0.228 4.325 4.550 0.005 0.000 0.284 610 Y C 2.294 178.399 175.900 0.342 0.000 1.179 610 Y CA 1.413 59.804 58.100 0.484 0.000 1.179 610 Y CB -0.244 38.572 38.460 0.593 0.000 0.973 610 Y HN 0.048 nan 8.280 nan 0.000 0.519 611 R N -1.708 118.813 120.500 0.036 0.000 2.200 611 R HA -0.074 4.270 4.340 0.005 0.000 0.208 611 R C 1.884 178.180 176.300 -0.007 0.000 1.033 611 R CA 0.966 56.947 56.100 -0.199 0.000 1.000 611 R CB -0.372 29.869 30.300 -0.099 0.000 0.906 611 R HN 0.435 nan 8.270 nan 0.000 0.462 612 H N -0.014 119.044 119.070 -0.021 0.000 2.403 612 H HA 0.050 4.609 4.556 0.005 0.000 0.298 612 H C 0.017 175.246 175.328 -0.165 0.000 1.059 612 H CA 0.980 56.947 56.048 -0.136 0.000 1.363 612 H CB 0.328 29.939 29.762 -0.253 0.000 1.410 612 H HN 0.066 nan 8.280 nan 0.000 0.528 613 H N 1.234 120.346 119.070 0.070 0.000 2.556 613 H HA 0.123 4.682 4.556 0.005 0.000 0.310 613 H C 0.864 176.083 175.328 -0.183 0.000 1.057 613 H CA -0.495 55.519 56.048 -0.057 0.000 1.264 613 H CB 1.588 31.364 29.762 0.023 0.000 1.404 613 H HN 0.218 nan 8.280 nan 0.000 0.462 614 K N 2.614 122.890 120.400 -0.206 0.000 2.074 614 K HA -0.146 4.177 4.320 0.005 0.000 0.209 614 K C 2.003 178.268 176.600 -0.559 0.000 1.048 614 K CA 1.145 57.092 56.287 -0.566 0.000 0.926 614 K CB -0.437 31.896 32.500 -0.278 0.000 0.713 614 K HN 0.640 nan 8.250 nan 0.000 0.444 615 A N 0.933 123.598 122.820 -0.257 0.000 2.009 615 A HA -0.221 4.103 4.320 0.005 0.000 0.222 615 A C 2.105 179.553 177.584 -0.228 0.000 1.175 615 A CA 2.052 53.965 52.037 -0.206 0.000 0.651 615 A CB -0.394 18.521 19.000 -0.142 0.000 0.815 615 A HN 0.208 nan 8.150 nan 0.000 0.459 616 M N -1.409 118.064 119.600 -0.213 0.000 2.558 616 M HA 0.049 4.532 4.480 0.005 0.000 0.255 616 M C 1.083 177.376 176.300 -0.012 0.000 1.113 616 M CA 1.655 56.903 55.300 -0.086 0.000 1.097 616 M CB -0.314 32.345 32.600 0.097 0.000 1.426 616 M HN 0.839 nan 8.290 nan 0.000 0.488 617 H N -5.741 113.255 119.070 -0.124 0.000 3.881 617 H HA 0.336 4.895 4.556 0.005 0.000 0.256 617 H C 1.506 176.783 175.328 -0.085 0.000 1.069 617 H CA 0.175 56.148 56.048 -0.124 0.000 1.145 617 H CB -0.459 29.132 29.762 -0.284 0.000 1.445 617 H HN 0.249 nan 8.280 nan 0.000 0.700 618 E N 0.724 120.753 120.200 -0.284 0.000 2.077 618 E HA -0.060 4.294 4.350 0.005 0.000 0.193 618 E C 0.139 176.727 176.600 -0.020 0.000 0.989 618 E CA 1.099 57.435 56.400 -0.107 0.000 0.800 618 E CB 0.241 29.841 29.700 -0.166 0.000 0.746 618 E HN 0.266 nan 8.360 nan 0.000 0.452 619 L N 1.460 122.639 121.223 -0.074 0.000 3.168 619 L HA 0.134 4.478 4.340 0.005 0.000 0.277 619 L C -0.066 176.728 176.870 -0.128 0.000 1.308 619 L CA 0.144 54.961 54.840 -0.038 0.000 0.976 619 L CB 0.911 42.975 42.059 0.008 0.000 1.383 619 L HN -0.006 nan 8.230 nan 0.000 0.572 620 D N 0.234 120.448 120.400 -0.309 0.000 2.149 620 D HA -0.178 4.465 4.640 0.005 0.000 0.198 620 D C 1.102 177.055 176.300 -0.578 0.000 0.990 620 D CA 1.852 55.480 54.000 -0.621 0.000 0.839 620 D CB 0.071 40.209 40.800 -1.102 0.000 0.948 620 D HN 0.379 nan 8.370 nan 0.000 0.460 621 F N -0.113 119.892 119.950 0.092 0.000 2.772 621 F HA 0.236 4.766 4.527 0.005 0.000 0.302 621 F C 0.421 176.320 175.800 0.164 0.000 1.136 621 F CA -0.706 57.368 58.000 0.123 0.000 1.322 621 F CB 0.674 39.653 39.000 -0.035 0.000 0.967 621 F HN -0.315 nan 8.300 nan 0.000 0.513 622 D N 0.625 121.162 120.400 0.228 0.000 2.863 622 D HA 0.243 4.887 4.640 0.005 0.000 0.245 622 D C -2.234 174.026 176.300 -0.067 0.000 1.211 622 D CA -2.252 51.773 54.000 0.042 0.000 0.888 622 D CB 2.745 43.584 40.800 0.065 0.000 1.483 622 D HN -0.185 nan 8.370 nan 0.000 0.533 623 P HA -0.161 nan 4.420 nan 0.000 0.218 623 P C 1.173 178.447 177.300 -0.042 0.000 1.146 623 P CA 0.802 63.658 63.100 -0.406 0.000 0.813 623 P CB -0.019 31.403 31.700 -0.463 0.000 0.778 624 Y N 0.905 121.133 120.300 -0.121 0.000 2.315 624 Y HA -0.093 4.461 4.550 0.005 0.000 0.288 624 Y C 2.375 178.242 175.900 -0.056 0.000 1.154 624 Y CA 1.723 59.779 58.100 -0.072 0.000 1.229 624 Y CB -1.095 37.326 38.460 -0.065 0.000 0.980 624 Y HN -0.080 nan 8.280 nan 0.000 0.540 625 G N -1.411 107.367 108.800 -0.038 0.000 2.509 625 G HA2 -0.161 3.802 3.960 0.005 0.000 0.218 625 G HA3 -0.161 3.802 3.960 0.005 0.000 0.218 625 G C -0.147 174.681 174.900 -0.120 0.000 1.124 625 G CA 0.261 45.293 45.100 -0.113 0.000 0.776 625 G HN 0.328 nan 8.290 nan 0.000 0.547 626 F N -0.212 119.574 119.950 -0.274 0.000 2.561 626 F HA 0.630 5.160 4.527 0.005 0.000 0.313 626 F C -1.024 174.590 175.800 -0.311 0.000 1.126 626 F CA -1.284 56.502 58.000 -0.357 0.000 0.918 626 F CB 2.098 40.794 39.000 -0.507 0.000 1.199 626 F HN -0.013 nan 8.300 nan 0.000 0.444 627 E N 5.303 124.968 120.200 -0.892 0.000 2.275 627 E HA 0.247 4.601 4.350 0.005 0.000 0.270 627 E C -1.826 174.352 176.600 -0.702 0.000 0.882 627 E CA -0.749 55.305 56.400 -0.577 0.000 0.758 627 E CB 1.254 30.800 29.700 -0.256 0.000 1.195 627 E HN 0.713 nan 8.360 nan 0.000 0.419 628 W N 4.835 125.977 121.300 -0.262 0.000 2.216 628 W HA 0.173 4.836 4.660 0.005 0.000 0.326 628 W C 0.898 177.400 176.519 -0.029 0.000 1.319 628 W CA -0.412 56.892 57.345 -0.068 0.000 1.213 628 W CB 0.686 30.219 29.460 0.121 0.000 1.171 628 W HN 0.564 nan 8.180 nan 0.000 0.557 629 L N 2.749 124.141 121.223 0.282 0.000 2.362 629 L HA 0.195 4.539 4.340 0.005 0.000 0.204 629 L C 0.114 177.051 176.870 0.111 0.000 1.060 629 L CA 0.430 55.359 54.840 0.149 0.000 0.827 629 L CB -0.132 41.971 42.059 0.074 0.000 1.027 629 L HN 0.082 nan 8.230 nan 0.000 0.474 630 V N 0.338 120.347 119.914 0.158 0.000 2.462 630 V HA 0.172 4.296 4.120 0.005 0.000 0.288 630 V C 0.300 176.507 176.094 0.188 0.000 1.020 630 V CA -0.125 62.248 62.300 0.122 0.000 0.857 630 V CB 2.410 34.254 31.823 0.034 0.000 1.013 630 V HN -0.063 nan 8.190 nan 0.000 0.431 631 V N 3.321 123.262 119.914 0.045 0.000 3.605 631 V HA 0.194 4.317 4.120 0.005 0.000 0.284 631 V C 0.910 176.974 176.094 -0.050 0.000 1.386 631 V CA 1.157 63.282 62.300 -0.291 0.000 1.053 631 V CB 0.624 32.033 31.823 -0.689 0.000 0.857 631 V HN 1.030 nan 8.190 nan 0.000 0.436 632 D N -1.646 118.776 120.400 0.038 0.000 2.620 632 D HA 0.140 4.784 4.640 0.005 0.000 0.260 632 D C 0.184 176.432 176.300 -0.087 0.000 1.367 632 D CA -0.207 53.775 54.000 -0.030 0.000 0.805 632 D CB -0.215 40.578 40.800 -0.010 0.000 1.096 632 D HN 0.236 nan 8.370 nan 0.000 0.488 633 D N 1.392 121.779 120.400 -0.022 0.000 2.558 633 D HA 0.117 4.761 4.640 0.005 0.000 0.221 633 D C 0.697 176.862 176.300 -0.225 0.000 1.143 633 D CA 0.018 54.012 54.000 -0.011 0.000 1.010 633 D CB 0.556 41.469 40.800 0.189 0.000 1.068 633 D HN 0.121 nan 8.370 nan 0.000 0.511 634 K N 0.969 121.126 120.400 -0.405 0.000 2.137 634 K HA -0.056 4.267 4.320 0.005 0.000 0.202 634 K C 1.838 178.299 176.600 -0.232 0.000 1.052 634 K CA 0.501 56.474 56.287 -0.524 0.000 0.961 634 K CB 0.278 32.497 32.500 -0.468 0.000 0.741 634 K HN 0.313 nan 8.250 nan 0.000 0.452 635 E N 1.350 121.452 120.200 -0.162 0.000 2.418 635 E HA -0.160 4.193 4.350 0.005 0.000 0.197 635 E C 1.298 177.861 176.600 -0.062 0.000 1.026 635 E CA 0.944 57.266 56.400 -0.129 0.000 0.862 635 E CB 0.151 29.791 29.700 -0.100 0.000 0.799 635 E HN 0.253 nan 8.360 nan 0.000 0.518 636 R N -0.232 120.263 120.500 -0.009 0.000 2.394 636 R HA 0.168 4.511 4.340 0.005 0.000 0.220 636 R C 0.083 176.423 176.300 0.066 0.000 0.887 636 R CA 0.518 56.642 56.100 0.040 0.000 1.034 636 R CB 0.611 30.974 30.300 0.104 0.000 1.179 636 R HN -0.012 nan 8.270 nan 0.000 0.561 637 S N 0.381 116.145 115.700 0.107 0.000 3.812 637 S HA -0.092 4.381 4.470 0.005 0.000 0.341 637 S C -0.313 174.436 174.600 0.248 0.000 1.057 637 S CA 0.407 58.757 58.200 0.250 0.000 1.015 637 S CB -1.225 62.122 63.200 0.246 0.000 0.893 637 S HN 0.103 nan 8.310 nan 0.000 0.476 638 V N 1.710 121.731 119.914 0.177 0.000 2.398 638 V HA 0.619 4.743 4.120 0.005 0.000 0.286 638 V C -0.020 176.183 176.094 0.181 0.000 1.026 638 V CA -0.473 61.856 62.300 0.048 0.000 0.868 638 V CB 1.592 33.281 31.823 -0.223 0.000 0.982 638 V HN 0.350 nan 8.190 nan 0.000 0.443 639 L N 6.815 128.162 121.223 0.206 0.000 2.376 639 L HA 0.632 4.975 4.340 0.005 0.000 0.275 639 L C -0.526 176.568 176.870 0.373 0.000 0.987 639 L CA 0.109 55.198 54.840 0.415 0.000 0.828 639 L CB 1.717 44.155 42.059 0.633 0.000 1.249 639 L HN 0.434 nan 8.230 nan 0.000 0.409 640 I N 3.698 124.436 120.570 0.280 0.000 2.545 640 I HA 0.659 4.832 4.170 0.005 0.000 0.292 640 I C -0.799 175.441 176.117 0.205 0.000 1.040 640 I CA -0.661 60.622 61.300 -0.028 0.000 1.068 640 I CB 1.815 39.537 38.000 -0.464 0.000 1.251 640 I HN 0.512 nan 8.210 nan 0.000 0.424 641 F N 3.916 123.811 119.950 -0.092 0.000 2.745 641 F HA 0.817 5.347 4.527 0.005 0.000 0.316 641 F C -1.691 173.838 175.800 -0.451 0.000 1.155 641 F CA -1.122 56.659 58.000 -0.365 0.000 0.937 641 F CB 1.061 39.558 39.000 -0.838 0.000 1.361 641 F HN 0.059 nan 8.300 nan 0.000 0.472 642 V N 1.971 121.700 119.914 -0.308 0.000 2.680 642 V HA 0.647 4.770 4.120 0.005 0.000 0.309 642 V C -0.668 175.247 176.094 -0.298 0.000 1.052 642 V CA -0.757 61.367 62.300 -0.293 0.000 0.908 642 V CB 2.027 33.706 31.823 -0.241 0.000 1.001 642 V HN 0.717 nan 8.190 nan 0.000 0.431 643 R N 3.185 123.549 120.500 -0.227 0.000 2.732 643 R HA 0.675 5.018 4.340 0.005 0.000 0.278 643 R C -0.638 175.533 176.300 -0.214 0.000 0.976 643 R CA -0.858 55.116 56.100 -0.209 0.000 0.963 643 R CB 1.926 32.111 30.300 -0.191 0.000 1.150 643 R HN 0.673 nan 8.270 nan 0.000 0.478 644 R N 1.322 121.683 120.500 -0.231 0.000 2.533 644 R HA 0.155 4.498 4.340 0.005 0.000 0.288 644 R C -0.857 175.325 176.300 -0.197 0.000 1.039 644 R CA -0.555 55.391 56.100 -0.257 0.000 0.909 644 R CB 1.031 31.057 30.300 -0.457 0.000 1.195 644 R HN 0.705 nan 8.270 nan 0.000 0.438 645 D N 2.598 122.915 120.400 -0.139 0.000 2.411 645 D HA 0.050 4.693 4.640 0.005 0.000 0.251 645 D C 0.376 176.684 176.300 0.013 0.000 1.201 645 D CA -0.446 53.499 54.000 -0.091 0.000 0.996 645 D CB 0.903 41.642 40.800 -0.100 0.000 1.101 645 D HN 0.457 nan 8.370 nan 0.000 0.504 646 K N -0.973 119.447 120.400 0.033 0.000 2.152 646 K HA -0.213 4.110 4.320 0.005 0.000 0.206 646 K C 1.271 177.937 176.600 0.109 0.000 1.048 646 K CA 1.494 57.837 56.287 0.093 0.000 0.933 646 K CB 0.036 32.558 32.500 0.037 0.000 0.721 646 K HN 0.416 nan 8.250 nan 0.000 0.447 647 E N -1.009 119.225 120.200 0.057 0.000 2.437 647 E HA 0.058 4.411 4.350 0.005 0.000 0.189 647 E C 0.558 177.197 176.600 0.065 0.000 1.054 647 E CA 0.606 57.035 56.400 0.048 0.000 0.874 647 E CB 0.294 29.999 29.700 0.008 0.000 1.011 647 E HN 0.349 nan 8.360 nan 0.000 0.474 648 G N 0.357 109.218 108.800 0.103 0.000 2.195 648 G HA2 -0.289 3.675 3.960 0.005 0.000 0.246 648 G HA3 -0.289 3.675 3.960 0.005 0.000 0.246 648 G C -0.002 174.882 174.900 -0.025 0.000 0.984 648 G CA 0.009 45.152 45.100 0.072 0.000 0.633 648 G HN 0.321 nan 8.290 nan 0.000 0.525 649 N N 1.722 120.402 118.700 -0.034 0.000 2.458 649 N HA 0.264 5.007 4.740 0.005 0.000 0.258 649 N C 0.051 175.526 175.510 -0.057 0.000 1.219 649 N CA 0.732 53.752 53.050 -0.048 0.000 0.902 649 N CB 0.581 39.037 38.487 -0.052 0.000 1.076 649 N HN 0.616 nan 8.380 nan 0.000 0.455 650 E N 1.438 121.637 120.200 -0.000 0.000 2.183 650 E HA 0.467 4.820 4.350 0.005 0.000 0.271 650 E C -0.341 176.342 176.600 0.139 0.000 0.919 650 E CA -0.549 55.882 56.400 0.053 0.000 0.781 650 E CB 1.860 31.648 29.700 0.147 0.000 1.140 650 E HN 0.400 nan 8.360 nan 0.000 0.402 651 I N 3.651 124.232 120.570 0.018 0.000 2.433 651 I HA 0.325 4.499 4.170 0.005 0.000 0.292 651 I C -0.404 175.658 176.117 -0.092 0.000 1.001 651 I CA -0.616 60.698 61.300 0.024 0.000 1.119 651 I CB 1.305 39.211 38.000 -0.156 0.000 1.289 651 I HN 0.347 nan 8.210 nan 0.000 0.438 652 I N 6.627 127.151 120.570 -0.077 0.000 2.365 652 I HA 0.314 4.487 4.170 0.005 0.000 0.291 652 I C -0.555 175.387 176.117 -0.291 0.000 1.004 652 I CA -0.701 60.440 61.300 -0.266 0.000 1.311 652 I CB 1.503 39.290 38.000 -0.354 0.000 1.401 652 I HN 0.154 nan 8.210 nan 0.000 0.491 653 V N 5.774 125.367 119.914 -0.536 0.000 2.409 653 V HA 0.655 4.779 4.120 0.005 0.000 0.291 653 V C 0.080 175.874 176.094 -0.500 0.000 1.020 653 V CA -0.510 61.448 62.300 -0.570 0.000 0.848 653 V CB 1.435 32.575 31.823 -1.138 0.000 0.990 653 V HN 0.833 nan 8.190 nan 0.000 0.430 654 A N 3.630 126.320 122.820 -0.216 0.000 2.330 654 A HA 0.845 5.168 4.320 0.005 0.000 0.313 654 A C -0.217 177.315 177.584 -0.088 0.000 1.124 654 A CA -0.454 51.455 52.037 -0.214 0.000 0.774 654 A CB 1.433 20.258 19.000 -0.292 0.000 1.198 654 A HN 0.678 nan 8.150 nan 0.000 0.465 655 S N 1.756 117.427 115.700 -0.049 0.000 2.478 655 S HA 0.362 4.835 4.470 0.005 0.000 0.312 655 S C -0.329 174.059 174.600 -0.354 0.000 1.094 655 S CA -0.663 57.416 58.200 -0.203 0.000 1.081 655 S CB 1.006 64.119 63.200 -0.145 0.000 1.007 655 S HN 0.772 nan 8.310 nan 0.000 0.475 656 N N 2.397 120.847 118.700 -0.415 0.000 2.457 656 N HA 0.322 5.065 4.740 0.005 0.000 0.250 656 N C -0.870 174.424 175.510 -0.360 0.000 0.982 656 N CA -0.349 52.517 53.050 -0.306 0.000 0.941 656 N CB 0.362 38.721 38.487 -0.214 0.000 1.120 656 N HN 0.508 nan 8.380 nan 0.000 0.505 657 F N 1.843 121.793 119.950 0.001 0.000 2.668 657 F HA 0.119 4.649 4.527 0.005 0.000 0.297 657 F C 1.092 176.876 175.800 -0.027 0.000 1.124 657 F CA -0.357 57.648 58.000 0.008 0.000 1.353 657 F CB 0.596 39.641 39.000 0.074 0.000 0.992 657 F HN 0.330 nan 8.300 nan 0.000 0.524 658 T N -4.067 110.532 114.554 0.075 0.000 2.916 658 T HA 0.370 4.723 4.350 0.005 0.000 0.292 658 T C -2.302 172.398 174.700 -0.000 0.000 1.064 658 T CA -2.357 59.757 62.100 0.024 0.000 1.011 658 T CB 2.135 71.007 68.868 0.007 0.000 1.152 658 T HN -0.315 nan 8.240 nan 0.000 0.510 659 P HA 0.104 nan 4.420 nan 0.000 0.226 659 P C 0.231 177.550 177.300 0.031 0.000 1.153 659 P CA 0.151 63.263 63.100 0.019 0.000 0.777 659 P CB -0.085 31.624 31.700 0.015 0.000 0.794 660 V N 3.569 123.490 119.914 0.012 0.000 2.439 660 V HA 0.112 4.235 4.120 0.005 0.000 0.271 660 V C -1.863 174.219 176.094 -0.020 0.000 1.040 660 V CA -1.543 60.764 62.300 0.011 0.000 1.002 660 V CB 0.097 31.927 31.823 0.013 0.000 1.000 660 V HN 0.068 nan 8.190 nan 0.000 0.477 661 P HA 0.230 nan 4.420 nan 0.000 0.271 661 P C -0.732 176.443 177.300 -0.207 0.000 1.216 661 P CA -0.429 62.585 63.100 -0.144 0.000 0.776 661 P CB 0.689 32.286 31.700 -0.171 0.000 0.881 662 R N 2.709 123.071 120.500 -0.231 0.000 2.246 662 R HA 0.390 4.733 4.340 0.005 0.000 0.332 662 R C 0.312 176.510 176.300 -0.170 0.000 0.974 662 R CA -0.508 55.528 56.100 -0.107 0.000 0.837 662 R CB 0.229 30.546 30.300 0.029 0.000 1.145 662 R HN 0.614 nan 8.270 nan 0.000 0.467 663 H N 1.403 120.544 119.070 0.119 0.000 2.483 663 H HA 0.138 4.698 4.556 0.005 0.000 0.338 663 H C -0.004 175.404 175.328 0.134 0.000 1.152 663 H CA -0.320 55.794 56.048 0.110 0.000 1.264 663 H CB 1.158 30.965 29.762 0.075 0.000 1.510 663 H HN 0.462 nan 8.280 nan 0.000 0.530 664 D N 1.149 121.703 120.400 0.257 0.000 2.740 664 D HA -0.285 4.358 4.640 0.005 0.000 0.231 664 D C -0.571 175.839 176.300 0.184 0.000 1.194 664 D CA 0.805 54.915 54.000 0.182 0.000 0.673 664 D CB -1.322 39.554 40.800 0.127 0.000 0.995 664 D HN 0.465 nan 8.370 nan 0.000 0.411 665 Y N 1.070 121.448 120.300 0.130 0.000 2.452 665 Y HA 0.237 4.790 4.550 0.005 0.000 0.348 665 Y C 0.730 176.768 175.900 0.229 0.000 0.985 665 Y CA -0.582 57.613 58.100 0.158 0.000 1.214 665 Y CB 0.536 39.076 38.460 0.134 0.000 1.136 665 Y HN -0.003 nan 8.280 nan 0.000 0.523 666 R N 7.231 127.724 120.500 -0.012 0.000 2.312 666 R HA 0.509 4.853 4.340 0.005 0.000 0.311 666 R C -1.673 174.752 176.300 0.208 0.000 1.004 666 R CA -0.415 55.726 56.100 0.069 0.000 0.902 666 R CB 0.496 30.795 30.300 -0.001 0.000 1.073 666 R HN 0.666 nan 8.270 nan 0.000 0.457 667 F N 0.433 120.408 119.950 0.041 0.000 2.645 667 F HA 0.638 5.169 4.527 0.005 0.000 0.310 667 F C -0.232 175.548 175.800 -0.034 0.000 1.102 667 F CA -1.297 56.674 58.000 -0.048 0.000 0.952 667 F CB 0.880 39.800 39.000 -0.133 0.000 1.326 667 F HN 0.536 nan 8.300 nan 0.000 0.456 668 G N 1.435 110.272 108.800 0.063 0.000 2.503 668 G HA2 0.536 4.500 3.960 0.005 0.000 0.257 668 G HA3 0.536 4.500 3.960 0.005 0.000 0.257 668 G C -0.770 174.117 174.900 -0.022 0.000 1.214 668 G CA -0.614 44.500 45.100 0.023 0.000 0.839 668 G HN 1.054 nan 8.290 nan 0.000 0.559 669 I N -1.726 118.815 120.570 -0.047 0.000 3.145 669 I HA 0.507 4.680 4.170 0.005 0.000 0.313 669 I C -0.081 176.055 176.117 0.032 0.000 1.122 669 I CA -1.418 59.847 61.300 -0.057 0.000 0.987 669 I CB 2.378 40.261 38.000 -0.194 0.000 1.236 669 I HN 0.309 nan 8.210 nan 0.000 0.453 670 N N 0.755 119.480 118.700 0.041 0.000 2.415 670 N HA 0.069 4.813 4.740 0.005 0.000 0.174 670 N C -0.334 175.220 175.510 0.073 0.000 1.048 670 N CA 0.566 53.653 53.050 0.062 0.000 0.895 670 N CB 0.310 38.823 38.487 0.043 0.000 1.036 670 N HN 0.632 nan 8.380 nan 0.000 0.449 671 Q N 1.104 120.983 119.800 0.132 0.000 2.523 671 Q HA 0.390 4.733 4.340 0.005 0.000 0.251 671 Q C -2.574 173.534 176.000 0.179 0.000 1.033 671 Q CA -1.695 54.191 55.803 0.139 0.000 0.746 671 Q CB 2.026 30.880 28.738 0.193 0.000 1.189 671 Q HN 0.059 nan 8.270 nan 0.000 0.508 672 P HA 0.324 nan 4.420 nan 0.000 0.272 672 P C 0.260 177.479 177.300 -0.135 0.000 1.240 672 P CA 0.174 63.218 63.100 -0.094 0.000 0.791 672 P CB 0.955 32.384 31.700 -0.452 0.000 0.978 673 G N 0.093 108.725 108.800 -0.279 0.000 2.247 673 G HA2 -0.005 3.958 3.960 0.005 0.000 0.229 673 G HA3 -0.005 3.958 3.960 0.005 0.000 0.229 673 G C -1.567 172.976 174.900 -0.595 0.000 1.345 673 G CA -0.735 44.066 45.100 -0.498 0.000 1.100 673 G HN 0.435 nan 8.290 nan 0.000 0.473 674 K N 0.072 120.225 120.400 -0.412 0.000 2.240 674 K HA 0.481 4.804 4.320 0.005 0.000 0.271 674 K C -1.364 175.057 176.600 -0.298 0.000 1.018 674 K CA -0.197 55.961 56.287 -0.216 0.000 0.874 674 K CB 1.729 34.180 32.500 -0.082 0.000 1.098 674 K HN 0.399 nan 8.250 nan 0.000 0.458 675 W N 1.973 123.230 121.300 -0.072 0.000 2.627 675 W HA 0.462 5.125 4.660 0.005 0.000 0.339 675 W C 0.255 176.774 176.519 -0.001 0.000 1.058 675 W CA -0.677 56.646 57.345 -0.036 0.000 1.223 675 W CB 1.508 30.946 29.460 -0.037 0.000 1.389 675 W HN 0.283 nan 8.180 nan 0.000 0.541 676 R N 1.790 122.439 120.500 0.249 0.000 2.584 676 R HA 0.234 4.578 4.340 0.005 0.000 0.276 676 R C -0.831 175.566 176.300 0.160 0.000 1.046 676 R CA -0.702 55.488 56.100 0.151 0.000 0.906 676 R CB 1.831 32.177 30.300 0.077 0.000 1.215 676 R HN 0.638 nan 8.270 nan 0.000 0.449 677 E N 3.727 124.000 120.200 0.122 0.000 2.392 677 E HA 0.073 4.426 4.350 0.005 0.000 0.264 677 E C 0.909 177.562 176.600 0.089 0.000 1.024 677 E CA 0.215 56.679 56.400 0.107 0.000 0.903 677 E CB 0.860 30.600 29.700 0.066 0.000 0.963 677 E HN 0.568 nan 8.360 nan 0.000 0.432 678 I N -0.184 120.451 120.570 0.108 0.000 4.439 678 I HA 0.336 4.509 4.170 0.005 0.000 0.331 678 I C -0.328 175.810 176.117 0.034 0.000 1.345 678 I CA -0.232 61.127 61.300 0.099 0.000 1.193 678 I CB 0.670 38.771 38.000 0.169 0.000 1.221 678 I HN 0.239 nan 8.210 nan 0.000 0.429 679 L N 1.369 122.576 121.223 -0.027 0.000 2.513 679 L HA 0.533 4.876 4.340 0.005 0.000 0.261 679 L C -1.831 174.942 176.870 -0.161 0.000 0.945 679 L CA -0.163 54.553 54.840 -0.206 0.000 0.848 679 L CB 2.227 43.888 42.059 -0.663 0.000 1.334 679 L HN 0.254 nan 8.230 nan 0.000 0.407 680 N N 1.146 119.798 118.700 -0.080 0.000 2.571 680 N HA 0.200 4.943 4.740 0.005 0.000 0.286 680 N C 0.342 175.915 175.510 0.105 0.000 1.138 680 N CA 0.285 53.326 53.050 -0.016 0.000 0.859 680 N CB 1.384 39.865 38.487 -0.011 0.000 1.414 680 N HN 0.753 nan 8.380 nan 0.000 0.529 681 T N -0.631 113.946 114.554 0.039 0.000 3.072 681 T HA -0.092 4.262 4.350 0.005 0.000 0.266 681 T C 0.958 175.775 174.700 0.194 0.000 1.127 681 T CA 0.973 63.124 62.100 0.086 0.000 1.107 681 T CB -0.066 68.785 68.868 -0.028 0.000 0.910 681 T HN 0.451 nan 8.240 nan 0.000 0.513 682 D N 1.241 121.715 120.400 0.122 0.000 2.339 682 D HA 0.163 4.806 4.640 0.005 0.000 0.217 682 D C 0.654 177.000 176.300 0.076 0.000 1.050 682 D CA -0.146 53.911 54.000 0.096 0.000 0.856 682 D CB -0.034 40.793 40.800 0.045 0.000 0.922 682 D HN 0.373 nan 8.370 nan 0.000 0.518 683 S N -0.081 115.655 115.700 0.060 0.000 2.563 683 S HA -0.016 4.458 4.470 0.005 0.000 0.284 683 S C 1.557 176.106 174.600 -0.085 0.000 1.331 683 S CA -0.331 57.812 58.200 -0.094 0.000 1.047 683 S CB 0.400 63.397 63.200 -0.338 0.000 0.859 683 S HN 0.286 nan 8.310 nan 0.000 0.514 684 M N 3.500 123.069 119.600 -0.052 0.000 2.549 684 M HA 0.061 4.544 4.480 0.005 0.000 0.260 684 M C 1.309 177.529 176.300 -0.134 0.000 1.076 684 M CA 1.448 56.719 55.300 -0.049 0.000 1.090 684 M CB -0.689 31.895 32.600 -0.026 0.000 1.418 684 M HN 0.740 nan 8.290 nan 0.000 0.486 685 H N -0.456 118.372 119.070 -0.404 0.000 2.521 685 H HA -0.061 4.498 4.556 0.005 0.000 0.286 685 H C 0.295 175.386 175.328 -0.394 0.000 1.034 685 H CA 1.160 56.928 56.048 -0.467 0.000 1.278 685 H CB 0.079 29.488 29.762 -0.590 0.000 1.386 685 H HN 0.555 nan 8.280 nan 0.000 0.567 686 Y N -1.077 119.276 120.300 0.089 0.000 2.696 686 Y HA 0.176 4.729 4.550 0.005 0.000 0.260 686 Y C -0.070 175.966 175.900 0.227 0.000 1.165 686 Y CA -0.690 57.502 58.100 0.153 0.000 1.189 686 Y CB -0.513 38.018 38.460 0.119 0.000 1.180 686 Y HN 0.115 nan 8.280 nan 0.000 0.538 687 H N -1.497 117.665 119.070 0.154 0.000 2.839 687 H HA -0.111 4.449 4.556 0.005 0.000 0.298 687 H C 1.195 176.543 175.328 0.034 0.000 1.224 687 H CA 0.255 56.370 56.048 0.112 0.000 1.144 687 H CB -1.213 28.666 29.762 0.194 0.000 1.372 687 H HN 0.606 nan 8.280 nan 0.000 0.408 688 G N -0.436 108.438 108.800 0.124 0.000 2.535 688 G HA2 0.354 4.318 3.960 0.005 0.000 0.282 688 G HA3 0.354 4.318 3.960 0.005 0.000 0.282 688 G C 1.070 176.002 174.900 0.054 0.000 1.350 688 G CA -0.144 45.008 45.100 0.087 0.000 1.039 688 G HN 0.470 nan 8.290 nan 0.000 0.509 689 S N -1.641 114.086 115.700 0.044 0.000 2.593 689 S HA 0.029 4.502 4.470 0.005 0.000 0.217 689 S C 1.015 175.628 174.600 0.022 0.000 0.966 689 S CA 0.702 58.916 58.200 0.024 0.000 0.914 689 S CB -0.374 62.840 63.200 0.022 0.000 0.776 689 S HN 0.841 nan 8.310 nan 0.000 0.523 690 N N 0.443 119.156 118.700 0.021 0.000 2.776 690 N HA -0.164 4.579 4.740 0.005 0.000 0.249 690 N C -0.045 175.477 175.510 0.020 0.000 1.111 690 N CA 0.243 53.300 53.050 0.011 0.000 0.711 690 N CB -1.378 37.114 38.487 0.007 0.000 1.065 690 N HN 0.706 nan 8.380 nan 0.000 0.556 691 A N 0.148 122.986 122.820 0.030 0.000 2.340 691 A HA 0.766 5.089 4.320 0.005 0.000 0.268 691 A C 0.996 178.603 177.584 0.037 0.000 1.100 691 A CA 0.822 52.886 52.037 0.046 0.000 0.803 691 A CB 1.292 20.322 19.000 0.049 0.000 1.043 691 A HN 0.613 nan 8.150 nan 0.000 0.488 692 G N 0.151 108.985 108.800 0.057 0.000 2.356 692 G HA2 0.253 4.216 3.960 0.005 0.000 0.281 692 G HA3 0.253 4.216 3.960 0.005 0.000 0.281 692 G C -0.238 174.705 174.900 0.072 0.000 1.246 692 G CA -0.101 45.030 45.100 0.052 0.000 0.889 692 G HN 0.529 nan 8.290 nan 0.000 0.486 693 N N -0.052 118.687 118.700 0.066 0.000 2.254 693 N HA 0.359 5.102 4.740 0.005 0.000 0.190 693 N C 1.332 176.880 175.510 0.063 0.000 1.107 693 N CA 0.767 53.864 53.050 0.078 0.000 0.869 693 N CB 0.720 39.261 38.487 0.090 0.000 0.983 693 N HN 1.478 nan 8.380 nan 0.000 0.487 694 G N 0.587 109.415 108.800 0.046 0.000 2.412 694 G HA2 0.037 4.000 3.960 0.005 0.000 0.297 694 G HA3 0.037 4.000 3.960 0.005 0.000 0.297 694 G C 0.516 175.438 174.900 0.037 0.000 0.965 694 G CA 0.652 45.772 45.100 0.034 0.000 1.134 694 G HN 0.707 nan 8.290 nan 0.000 0.511 695 G N -1.814 107.012 108.800 0.043 0.000 2.353 695 G HA2 0.417 4.381 3.960 0.005 0.000 0.615 695 G HA3 0.417 4.381 3.960 0.005 0.000 0.615 695 G C 0.010 174.949 174.900 0.065 0.000 1.280 695 G CA 0.063 45.190 45.100 0.045 0.000 1.000 695 G HN 1.476 nan 8.290 nan 0.000 0.516 696 T N -0.230 114.362 114.554 0.064 0.000 2.923 696 T HA 0.378 4.731 4.350 0.005 0.000 0.304 696 T C 0.452 175.215 174.700 0.106 0.000 1.044 696 T CA 0.476 62.625 62.100 0.082 0.000 1.141 696 T CB 0.964 69.873 68.868 0.069 0.000 1.023 696 T HN 1.285 nan 8.240 nan 0.000 0.533 697 V N 3.835 123.832 119.914 0.139 0.000 2.483 697 V HA 0.259 4.382 4.120 0.005 0.000 0.297 697 V C 0.099 176.306 176.094 0.189 0.000 1.027 697 V CA -0.976 61.416 62.300 0.153 0.000 0.855 697 V CB 1.466 33.373 31.823 0.140 0.000 0.995 697 V HN 0.846 nan 8.190 nan 0.000 0.424 698 H N 2.972 122.100 119.070 0.097 0.000 2.511 698 H HA 0.407 4.966 4.556 0.005 0.000 0.346 698 H C 0.379 175.771 175.328 0.106 0.000 1.128 698 H CA -0.056 56.052 56.048 0.101 0.000 1.342 698 H CB 1.911 31.709 29.762 0.061 0.000 1.470 698 H HN 0.771 nan 8.280 nan 0.000 0.546 699 S N 3.495 119.201 115.700 0.011 0.000 2.585 699 S HA 0.121 4.594 4.470 0.005 0.000 0.273 699 S C -0.357 174.422 174.600 0.298 0.000 1.339 699 S CA -0.820 57.453 58.200 0.122 0.000 1.028 699 S CB 1.010 64.238 63.200 0.047 0.000 0.906 699 S HN 0.542 nan 8.310 nan 0.000 0.528 700 D N 0.694 121.203 120.400 0.181 0.000 2.256 700 D HA 0.187 4.831 4.640 0.005 0.000 0.246 700 D C -0.381 176.007 176.300 0.147 0.000 1.042 700 D CA -0.428 53.667 54.000 0.159 0.000 0.841 700 D CB 1.350 42.194 40.800 0.074 0.000 1.223 700 D HN 0.813 nan 8.370 nan 0.000 0.470 701 E N 2.223 122.495 120.200 0.119 0.000 2.323 701 E HA 0.134 4.487 4.350 0.005 0.000 0.313 701 E C -0.660 175.858 176.600 -0.136 0.000 1.236 701 E CA 0.043 56.366 56.400 -0.129 0.000 1.333 701 E CB -0.360 29.288 29.700 -0.087 0.000 1.138 701 E HN 0.368 nan 8.360 nan 0.000 0.492 702 I N 2.401 122.910 120.570 -0.101 0.000 2.468 702 I HA 0.293 4.466 4.170 0.005 0.000 0.285 702 I C 0.143 176.221 176.117 -0.065 0.000 1.039 702 I CA -0.866 60.394 61.300 -0.068 0.000 1.074 702 I CB 1.715 39.697 38.000 -0.029 0.000 1.228 702 I HN 0.265 nan 8.210 nan 0.000 0.436 703 A N 4.471 127.252 122.820 -0.065 0.000 2.561 703 A HA 0.422 4.745 4.320 0.005 0.000 0.234 703 A C 0.197 177.781 177.584 -0.000 0.000 1.055 703 A CA 0.540 52.556 52.037 -0.035 0.000 0.756 703 A CB 0.351 19.332 19.000 -0.032 0.000 0.986 703 A HN 0.657 nan 8.150 nan 0.000 0.505 704 S N 0.738 116.466 115.700 0.047 0.000 2.563 704 S HA 0.464 4.937 4.470 0.005 0.000 0.279 704 S C -0.290 174.450 174.600 0.233 0.000 1.155 704 S CA -0.448 57.819 58.200 0.113 0.000 0.928 704 S CB 0.244 63.557 63.200 0.189 0.000 1.107 704 S HN 1.075 nan 8.310 nan 0.000 0.462 705 H N 2.440 121.533 119.070 0.038 0.000 2.791 705 H HA -0.213 4.346 4.556 0.005 0.000 0.302 705 H C 1.174 176.536 175.328 0.058 0.000 1.198 705 H CA 1.304 57.388 56.048 0.061 0.000 1.145 705 H CB -1.500 28.324 29.762 0.104 0.000 1.385 705 H HN 1.702 nan 8.280 nan 0.000 0.409 706 G N 0.033 108.897 108.800 0.107 0.000 2.148 706 G HA2 -0.332 3.631 3.960 0.005 0.000 0.254 706 G HA3 -0.332 3.631 3.960 0.005 0.000 0.254 706 G C 0.265 175.216 174.900 0.084 0.000 0.981 706 G CA 0.634 45.783 45.100 0.082 0.000 0.670 706 G HN 0.574 nan 8.290 nan 0.000 0.528 707 R N -0.860 119.697 120.500 0.094 0.000 2.711 707 R HA 0.545 4.888 4.340 0.005 0.000 0.284 707 R C 1.058 177.386 176.300 0.046 0.000 0.968 707 R CA -0.439 55.710 56.100 0.082 0.000 0.924 707 R CB 1.160 31.520 30.300 0.100 0.000 1.162 707 R HN 0.203 nan 8.270 nan 0.000 0.465 708 Q N 0.539 120.364 119.800 0.042 0.000 2.172 708 Q HA -0.059 4.285 4.340 0.005 0.000 0.200 708 Q C -0.323 175.545 176.000 -0.219 0.000 0.964 708 Q CA 1.451 57.220 55.803 -0.057 0.000 0.855 708 Q CB 0.285 29.020 28.738 -0.005 0.000 0.918 708 Q HN 0.503 nan 8.270 nan 0.000 0.444 709 H N -1.127 117.952 119.070 0.016 0.000 2.670 709 H HA 0.501 5.060 4.556 0.005 0.000 0.361 709 H C -0.975 174.325 175.328 -0.047 0.000 1.169 709 H CA -0.219 55.828 56.048 -0.001 0.000 1.198 709 H CB 2.101 31.871 29.762 0.013 0.000 1.700 709 H HN 0.131 nan 8.280 nan 0.000 0.542 710 S N 1.066 116.790 115.700 0.039 0.000 2.607 710 S HA 0.638 5.111 4.470 0.005 0.000 0.273 710 S C -1.478 172.994 174.600 -0.215 0.000 1.148 710 S CA -1.036 57.083 58.200 -0.135 0.000 0.833 710 S CB 1.345 64.489 63.200 -0.093 0.000 1.130 710 S HN 0.415 nan 8.310 nan 0.000 0.470 711 L N 1.286 122.208 121.223 -0.501 0.000 2.334 711 L HA 0.724 5.067 4.340 0.005 0.000 0.273 711 L C -0.158 176.531 176.870 -0.302 0.000 1.013 711 L CA -0.628 53.961 54.840 -0.419 0.000 0.816 711 L CB 2.193 43.883 42.059 -0.615 0.000 1.278 711 L HN 0.808 nan 8.230 nan 0.000 0.431 712 S N 3.166 118.820 115.700 -0.078 0.000 2.498 712 S HA 0.706 5.179 4.470 0.005 0.000 0.324 712 S C -0.726 173.944 174.600 0.117 0.000 1.071 712 S CA -0.490 57.737 58.200 0.046 0.000 1.113 712 S CB 0.150 63.379 63.200 0.049 0.000 0.976 712 S HN 0.387 nan 8.310 nan 0.000 0.462 713 L N 2.762 124.117 121.223 0.219 0.000 2.301 713 L HA 0.559 4.902 4.340 0.005 0.000 0.264 713 L C 0.229 177.223 176.870 0.207 0.000 1.016 713 L CA -1.027 53.940 54.840 0.211 0.000 0.821 713 L CB 2.211 44.422 42.059 0.254 0.000 1.346 713 L HN 0.377 nan 8.230 nan 0.000 0.429 714 T N 2.861 117.511 114.554 0.160 0.000 2.794 714 T HA 0.425 4.779 4.350 0.005 0.000 0.296 714 T C -0.153 174.564 174.700 0.028 0.000 0.949 714 T CA -0.158 62.008 62.100 0.109 0.000 1.101 714 T CB 0.090 69.043 68.868 0.142 0.000 0.905 714 T HN 0.216 nan 8.240 nan 0.000 0.516 715 L N 6.868 128.058 121.223 -0.055 0.000 2.277 715 L HA 0.364 4.707 4.340 0.005 0.000 0.284 715 L C -2.204 174.591 176.870 -0.124 0.000 1.028 715 L CA -2.447 52.328 54.840 -0.109 0.000 0.835 715 L CB 1.018 42.953 42.059 -0.206 0.000 1.215 715 L HN 0.328 nan 8.230 nan 0.000 0.425 716 P HA 0.046 nan 4.420 nan 0.000 0.267 716 P C -2.409 174.851 177.300 -0.068 0.000 1.200 716 P CA -0.932 62.133 63.100 -0.059 0.000 0.772 716 P CB -0.318 31.369 31.700 -0.022 0.000 0.855 717 P HA 0.013 nan 4.420 nan 0.000 0.268 717 P C 0.158 177.447 177.300 -0.018 0.000 1.205 717 P CA 0.112 63.201 63.100 -0.018 0.000 0.771 717 P CB 0.288 32.011 31.700 0.039 0.000 0.858 718 L N -0.753 120.448 121.223 -0.036 0.000 4.035 718 L HA -0.228 4.115 4.340 0.005 0.000 0.490 718 L C 0.388 177.226 176.870 -0.052 0.000 1.163 718 L CA 0.603 55.422 54.840 -0.035 0.000 0.680 718 L CB -1.926 40.133 42.059 0.000 0.000 1.409 718 L HN 0.597 nan 8.230 nan 0.000 0.786 719 A N -0.063 122.684 122.820 -0.122 0.000 2.594 719 A HA 0.918 5.242 4.320 0.005 0.000 0.291 719 A C -0.087 177.408 177.584 -0.149 0.000 1.105 719 A CA 0.148 52.130 52.037 -0.091 0.000 0.694 719 A CB 2.037 21.011 19.000 -0.044 0.000 1.291 719 A HN 0.287 nan 8.150 nan 0.000 0.410 720 T N -0.217 114.301 114.554 -0.060 0.000 2.876 720 T HA 0.698 5.051 4.350 0.005 0.000 0.289 720 T C -0.399 174.308 174.700 0.012 0.000 1.014 720 T CA -0.507 61.591 62.100 -0.002 0.000 0.986 720 T CB 1.084 70.050 68.868 0.163 0.000 1.021 720 T HN 1.728 nan 8.240 nan 0.000 0.458 721 I N -0.072 120.534 120.570 0.061 0.000 2.892 721 I HA 0.772 4.945 4.170 0.005 0.000 0.306 721 I C -2.027 174.278 176.117 0.314 0.000 1.078 721 I CA -1.151 60.191 61.300 0.072 0.000 1.032 721 I CB 2.117 40.139 38.000 0.036 0.000 1.229 721 I HN 0.708 nan 8.210 nan 0.000 0.435 722 W N 5.096 126.383 121.300 -0.021 0.000 2.656 722 W HA 0.629 5.292 4.660 0.005 0.000 0.327 722 W C -1.072 175.453 176.519 0.010 0.000 1.041 722 W CA -1.084 56.241 57.345 -0.034 0.000 1.229 722 W CB 1.552 31.002 29.460 -0.016 0.000 1.397 722 W HN 0.220 nan 8.180 nan 0.000 0.479 723 L N 3.594 124.964 121.223 0.245 0.000 2.334 723 L HA 0.637 4.980 4.340 0.005 0.000 0.276 723 L C -0.111 176.997 176.870 0.397 0.000 1.014 723 L CA -1.069 53.952 54.840 0.303 0.000 0.815 723 L CB 1.235 43.478 42.059 0.306 0.000 1.268 723 L HN 0.156 nan 8.230 nan 0.000 0.428 724 V N 3.700 123.796 119.914 0.303 0.000 2.919 724 V HA 0.547 4.670 4.120 0.005 0.000 0.316 724 V C -0.152 175.812 176.094 -0.215 0.000 1.077 724 V CA -0.827 61.523 62.300 0.084 0.000 0.977 724 V CB 2.858 34.665 31.823 -0.027 0.000 1.039 724 V HN 0.850 nan 8.190 nan 0.000 0.441 725 R N 3.147 123.237 120.500 -0.683 0.000 2.312 725 R HA 0.396 4.739 4.340 0.005 0.000 0.311 725 R C -0.453 175.564 176.300 -0.472 0.000 1.004 725 R CA -0.460 55.037 56.100 -1.005 0.000 0.902 725 R CB 0.920 30.418 30.300 -1.337 0.000 1.073 725 R HN 0.749 nan 8.270 nan 0.000 0.457 726 E N 2.525 122.501 120.200 -0.373 0.000 2.194 726 E HA 0.172 4.525 4.350 0.005 0.000 0.284 726 E C -0.331 176.160 176.600 -0.182 0.000 1.035 726 E CA -0.404 55.876 56.400 -0.200 0.000 0.836 726 E CB 1.536 31.160 29.700 -0.126 0.000 1.070 726 E HN 0.649 nan 8.360 nan 0.000 0.401 727 A N 4.204 126.946 122.820 -0.131 0.000 2.547 727 A HA 0.006 4.329 4.320 0.005 0.000 0.233 727 A C 0.271 177.809 177.584 -0.077 0.000 1.067 727 A CA 0.532 52.508 52.037 -0.102 0.000 0.763 727 A CB 0.416 19.375 19.000 -0.070 0.000 1.007 727 A HN 0.691 nan 8.150 nan 0.000 0.506 728 E N 0.000 120.162 120.200 -0.063 0.000 2.725 728 E HA 0.000 4.353 4.350 0.005 0.000 0.291 728 E CA 0.000 56.376 56.400 -0.040 0.000 0.976 728 E CB 0.000 29.680 29.700 -0.033 0.000 0.812 728 E HN 0.000 nan 8.360 nan 0.000 0.440