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 1m7x_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 VASMIYRXXX 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 0.000 174.603 174.700 -0.161 0.000 1.109 117 T CA 0.000 62.001 62.100 -0.164 0.000 1.349 117 T CB 0.000 68.741 68.868 -0.212 0.000 0.612 118 H N 1.258 120.298 119.070 -0.050 0.000 2.423 118 H HA 0.276 4.832 4.556 0.001 0.000 0.297 118 H C 2.053 177.387 175.328 0.010 0.000 1.075 118 H CA 1.423 57.454 56.048 -0.029 0.000 1.342 118 H CB 0.112 29.864 29.762 -0.016 0.000 1.395 118 H HN 0.416 nan 8.280 nan 0.000 0.530 119 L N 0.093 121.393 121.223 0.128 0.000 2.093 119 L HA -0.085 4.255 4.340 0.001 0.000 0.208 119 L C 0.798 177.722 176.870 0.090 0.000 1.085 119 L CA 1.144 56.057 54.840 0.121 0.000 0.755 119 L CB -0.069 42.045 42.059 0.091 0.000 0.904 119 L HN 0.045 nan 8.230 nan 0.000 0.435 120 R N -0.042 120.406 120.500 -0.086 0.000 3.194 120 R HA 0.167 4.508 4.340 0.001 0.000 0.306 120 R C -1.715 174.249 176.300 -0.561 0.000 1.347 120 R CA -1.250 54.573 56.100 -0.462 0.000 1.540 120 R CB 0.324 30.308 30.300 -0.528 0.000 1.352 120 R HN 0.073 nan 8.270 nan 0.000 0.621 121 P HA -0.234 nan 4.420 nan 0.000 0.216 121 P C 0.915 178.036 177.300 -0.299 0.000 1.150 121 P CA 1.368 64.351 63.100 -0.194 0.000 0.837 121 P CB 0.013 31.730 31.700 0.028 0.000 0.786 122 Y N 0.391 120.712 120.300 0.035 0.000 2.556 122 Y HA 0.002 4.553 4.550 0.001 0.000 0.290 122 Y C 1.715 177.710 175.900 0.158 0.000 1.149 122 Y CA 0.412 58.567 58.100 0.093 0.000 1.329 122 Y CB -1.893 36.670 38.460 0.170 0.000 0.975 122 Y HN 0.020 nan 8.280 nan 0.000 0.561 123 E N 0.126 120.118 120.200 -0.348 0.000 2.442 123 E HA -0.014 4.336 4.350 0.001 0.000 0.195 123 E C 1.327 177.648 176.600 -0.466 0.000 1.030 123 E CA 1.131 57.347 56.400 -0.307 0.000 0.869 123 E CB 0.187 29.666 29.700 -0.369 0.000 0.857 123 E HN 0.759 nan 8.360 nan 0.000 0.505 124 T N -2.657 111.714 114.554 -0.306 0.000 3.048 124 T HA 0.222 4.572 4.350 0.001 0.000 0.254 124 T C 0.793 175.475 174.700 -0.031 0.000 0.942 124 T CA -0.404 61.553 62.100 -0.237 0.000 0.931 124 T CB 0.167 68.923 68.868 -0.186 0.000 1.220 124 T HN -0.123 nan 8.240 nan 0.000 0.503 125 L N 1.771 122.944 121.223 -0.084 0.000 2.475 125 L HA 0.565 4.905 4.340 0.001 0.000 0.253 125 L C 1.606 178.516 176.870 0.066 0.000 1.198 125 L CA 0.842 55.599 54.840 -0.139 0.000 0.814 125 L CB 0.202 41.858 42.059 -0.672 0.000 1.134 125 L HN 0.718 nan 8.230 nan 0.000 0.478 126 G N 0.932 109.767 108.800 0.058 0.000 2.520 126 G HA2 -0.063 3.898 3.960 0.001 0.000 0.248 126 G HA3 -0.063 3.898 3.960 0.001 0.000 0.248 126 G C -0.663 174.240 174.900 0.005 0.000 1.161 126 G CA -0.137 44.998 45.100 0.059 0.000 0.946 126 G HN 1.129 nan 8.290 nan 0.000 0.565 127 A N 0.248 122.912 122.820 -0.261 0.000 2.357 127 A HA 0.794 5.114 4.320 0.001 0.000 0.295 127 A C -0.617 176.621 177.584 -0.577 0.000 1.121 127 A CA -0.238 51.465 52.037 -0.557 0.000 0.742 127 A CB 0.987 19.493 19.000 -0.823 0.000 1.181 127 A HN 1.031 nan 8.150 nan 0.000 0.454 128 H N 1.152 120.108 119.070 -0.190 0.000 2.717 128 H HA 0.606 5.163 4.556 0.001 0.000 0.366 128 H C 0.061 175.331 175.328 -0.098 0.000 1.132 128 H CA -0.266 55.739 56.048 -0.070 0.000 1.180 128 H CB 2.239 32.001 29.762 0.000 0.000 1.678 128 H HN 0.861 nan 8.280 nan 0.000 0.537 129 A N 2.213 125.071 122.820 0.063 0.000 2.450 129 A HA 0.259 4.579 4.320 0.001 0.000 0.255 129 A C 0.004 177.666 177.584 0.131 0.000 1.096 129 A CA 0.277 52.348 52.037 0.057 0.000 0.778 129 A CB 0.126 19.156 19.000 0.051 0.000 1.031 129 A HN 0.711 nan 8.150 nan 0.000 0.494 130 D N -0.399 120.141 120.400 0.234 0.000 2.781 130 D HA 0.722 5.363 4.640 0.001 0.000 0.295 130 D C -1.188 175.251 176.300 0.232 0.000 1.143 130 D CA -0.007 54.139 54.000 0.242 0.000 1.076 130 D CB 1.992 42.969 40.800 0.295 0.000 1.444 130 D HN 0.353 nan 8.370 nan 0.000 0.567 131 T N 1.466 116.036 114.554 0.027 0.000 3.355 131 T HA 0.196 4.547 4.350 0.001 0.000 0.324 131 T C -0.208 174.360 174.700 -0.221 0.000 0.932 131 T CA -0.612 61.456 62.100 -0.054 0.000 1.032 131 T CB 0.753 69.619 68.868 -0.003 0.000 1.027 131 T HN 0.218 nan 8.240 nan 0.000 0.456 132 M N 2.860 122.207 119.600 -0.421 0.000 3.706 132 M HA 0.190 4.671 4.480 0.001 0.000 0.204 132 M C 0.348 176.537 176.300 -0.185 0.000 1.455 132 M CA 0.106 55.171 55.300 -0.391 0.000 1.659 132 M CB -1.877 30.381 32.600 -0.571 0.000 1.076 132 M HN 0.770 nan 8.290 nan 0.000 0.577 133 D N 1.372 121.698 120.400 -0.123 0.000 4.044 133 D HA -0.131 4.509 4.640 0.001 0.000 0.242 133 D C 1.115 177.389 176.300 -0.045 0.000 1.076 133 D CA 1.698 55.657 54.000 -0.069 0.000 1.171 133 D CB -0.650 40.112 40.800 -0.063 0.000 0.866 133 D HN 0.959 nan 8.370 nan 0.000 0.413 134 G N 0.712 109.496 108.800 -0.026 0.000 2.245 134 G HA2 -0.228 3.733 3.960 0.001 0.000 0.264 134 G HA3 -0.228 3.733 3.960 0.001 0.000 0.264 134 G C 0.477 175.387 174.900 0.015 0.000 0.985 134 G CA 0.625 45.722 45.100 -0.003 0.000 0.625 134 G HN 1.465 nan 8.290 nan 0.000 0.536 135 V N 2.717 122.635 119.914 0.008 0.000 2.334 135 V HA 0.756 4.876 4.120 0.001 0.000 0.281 135 V C 0.444 176.630 176.094 0.153 0.000 1.016 135 V CA 0.549 62.892 62.300 0.070 0.000 0.832 135 V CB 1.378 33.245 31.823 0.074 0.000 0.999 135 V HN 0.953 nan 8.190 nan 0.000 0.439 136 T N 3.613 118.291 114.554 0.206 0.000 2.867 136 T HA 0.947 5.298 4.350 0.001 0.000 0.282 136 T C 0.166 175.055 174.700 0.315 0.000 1.000 136 T CA 0.061 62.334 62.100 0.288 0.000 1.042 136 T CB 1.645 70.603 68.868 0.151 0.000 0.973 136 T HN 1.381 nan 8.240 nan 0.000 0.465 137 G N 1.098 110.078 108.800 0.299 0.000 2.427 137 G HA2 0.591 4.551 3.960 0.001 0.000 0.306 137 G HA3 0.591 4.551 3.960 0.001 0.000 0.306 137 G C -0.885 173.840 174.900 -0.292 0.000 1.280 137 G CA -0.358 44.648 45.100 -0.156 0.000 0.837 137 G HN 1.135 nan 8.290 nan 0.000 0.482 138 T N -1.854 112.385 114.554 -0.526 0.000 2.829 138 T HA 0.685 5.035 4.350 0.001 0.000 0.280 138 T C -0.107 174.258 174.700 -0.558 0.000 0.999 138 T CA -0.646 61.171 62.100 -0.472 0.000 0.983 138 T CB 2.173 70.694 68.868 -0.578 0.000 0.968 138 T HN 0.742 nan 8.240 nan 0.000 0.446 139 R N 2.447 122.802 120.500 -0.242 0.000 2.308 139 R HA 0.507 4.848 4.340 0.001 0.000 0.305 139 R C -1.336 174.854 176.300 -0.184 0.000 1.053 139 R CA -0.569 55.534 56.100 0.006 0.000 0.957 139 R CB 0.272 30.710 30.300 0.230 0.000 1.022 139 R HN 0.583 nan 8.270 nan 0.000 0.461 140 F N 1.314 121.282 119.950 0.030 0.000 2.432 140 F HA 0.472 4.999 4.527 0.001 0.000 0.329 140 F C 0.058 175.941 175.800 0.139 0.000 1.076 140 F CA -0.456 57.596 58.000 0.087 0.000 1.018 140 F CB 2.352 41.416 39.000 0.107 0.000 1.201 140 F HN 0.427 nan 8.300 nan 0.000 0.489 141 S N 0.850 116.749 115.700 0.332 0.000 2.592 141 S HA 0.696 5.167 4.470 0.001 0.000 0.275 141 S C -1.473 173.255 174.600 0.212 0.000 1.169 141 S CA -0.792 57.547 58.200 0.232 0.000 0.958 141 S CB 1.711 65.007 63.200 0.160 0.000 1.095 141 S HN 0.363 nan 8.310 nan 0.000 0.471 142 V N 1.587 121.610 119.914 0.182 0.000 2.841 142 V HA 0.581 4.701 4.120 0.001 0.000 0.310 142 V C -1.455 174.861 176.094 0.371 0.000 1.090 142 V CA -0.859 61.552 62.300 0.185 0.000 0.930 142 V CB 1.989 33.701 31.823 -0.184 0.000 1.014 142 V HN 0.972 nan 8.190 nan 0.000 0.425 143 W N 4.357 125.785 121.300 0.214 0.000 2.243 143 W HA 0.744 5.405 4.660 0.001 0.000 0.331 143 W C 0.044 176.730 176.519 0.279 0.000 0.895 143 W CA -0.788 56.684 57.345 0.211 0.000 1.580 143 W CB 0.735 30.251 29.460 0.094 0.000 1.568 143 W HN 0.747 nan 8.180 nan 0.000 0.372 144 A N 8.068 130.941 122.820 0.088 0.000 3.204 144 A HA 0.329 4.649 4.320 0.001 0.000 0.327 144 A C -1.183 176.468 177.584 0.112 0.000 0.998 144 A CA -1.077 50.982 52.037 0.037 0.000 0.891 144 A CB 0.317 19.373 19.000 0.094 0.000 1.061 144 A HN 0.396 nan 8.150 nan 0.000 0.478 145 P HA -0.288 nan 4.420 nan 0.000 0.219 145 P C 0.892 178.201 177.300 0.016 0.000 1.161 145 P CA 1.693 64.709 63.100 -0.139 0.000 0.909 145 P CB 0.166 31.694 31.700 -0.287 0.000 0.793 146 N N -0.116 118.576 118.700 -0.013 0.000 2.085 146 N HA -0.074 4.666 4.740 0.001 0.000 0.191 146 N C 1.770 177.367 175.510 0.145 0.000 1.058 146 N CA 1.390 54.463 53.050 0.038 0.000 0.849 146 N CB -1.003 37.479 38.487 -0.009 0.000 1.038 146 N HN 0.143 nan 8.380 nan 0.000 0.434 147 A N 0.929 123.805 122.820 0.093 0.000 5.213 147 A HA -0.322 3.998 4.320 0.001 0.000 0.347 147 A C 0.648 178.283 177.584 0.085 0.000 1.682 147 A CA 2.539 54.606 52.037 0.050 0.000 0.701 147 A CB -1.101 17.934 19.000 0.059 0.000 1.474 147 A HN 0.665 nan 8.150 nan 0.000 0.405 148 R N -1.301 119.325 120.500 0.210 0.000 2.148 148 R HA 0.013 4.354 4.340 0.001 0.000 0.300 148 R C -0.253 176.115 176.300 0.113 0.000 0.998 148 R CA 1.407 57.619 56.100 0.186 0.000 0.543 148 R CB -1.321 29.025 30.300 0.076 0.000 1.691 148 R HN 2.283 nan 8.270 nan 0.000 0.360 149 R N 0.881 121.519 120.500 0.231 0.000 1.144 149 R HA -0.078 4.262 4.340 0.001 0.000 0.425 149 R C -2.230 173.817 176.300 -0.421 0.000 1.320 149 R CA 0.683 56.792 56.100 0.014 0.000 0.888 149 R CB -0.753 29.565 30.300 0.031 0.000 2.911 149 R HN 0.050 nan 8.270 nan 0.000 0.510 150 V N 4.622 124.132 119.914 -0.673 0.000 2.569 150 V HA 0.566 4.686 4.120 0.001 0.000 0.301 150 V C -0.214 175.706 176.094 -0.290 0.000 1.044 150 V CA 0.000 61.884 62.300 -0.693 0.000 0.874 150 V CB 2.204 33.205 31.823 -1.371 0.000 1.002 150 V HN 0.819 nan 8.190 nan 0.000 0.424 151 S N 3.160 118.776 115.700 -0.139 0.000 2.566 151 S HA 0.785 5.255 4.470 0.001 0.000 0.298 151 S C -0.680 173.950 174.600 0.049 0.000 1.083 151 S CA -0.916 57.276 58.200 -0.014 0.000 0.978 151 S CB 1.981 65.191 63.200 0.016 0.000 1.073 151 S HN 0.468 nan 8.310 nan 0.000 0.491 152 V N 2.562 122.502 119.914 0.044 0.000 2.405 152 V HA 0.376 4.496 4.120 0.001 0.000 0.264 152 V C 0.381 176.449 176.094 -0.044 0.000 1.048 152 V CA -0.605 61.697 62.300 0.003 0.000 0.966 152 V CB -0.150 31.490 31.823 -0.305 0.000 1.015 152 V HN 0.803 nan 8.190 nan 0.000 0.477 153 V N 2.423 122.263 119.914 -0.123 0.000 2.612 153 V HA 1.122 5.243 4.120 0.001 0.000 0.301 153 V C 0.411 175.826 176.094 -1.131 0.000 1.046 153 V CA 0.075 62.126 62.300 -0.416 0.000 0.946 153 V CB 1.059 32.820 31.823 -0.104 0.000 1.003 153 V HN 1.171 nan 8.190 nan 0.000 0.459 154 G N 2.209 109.734 108.800 -2.125 0.000 2.316 154 G HA2 0.235 4.195 3.960 0.001 0.000 0.296 154 G HA3 0.235 4.195 3.960 0.001 0.000 0.296 154 G C -0.311 173.059 174.900 -2.549 0.000 1.399 154 G CA -0.102 43.153 45.100 -3.075 0.000 0.833 154 G HN 0.635 nan 8.290 nan 0.000 0.565 155 Q N -0.625 118.356 119.800 -1.365 0.000 2.197 155 Q HA -0.258 4.083 4.340 0.001 0.000 0.211 155 Q C 2.283 177.995 176.000 -0.480 0.000 0.993 155 Q CA 2.611 58.142 55.803 -0.454 0.000 0.883 155 Q CB -0.412 28.289 28.738 -0.061 0.000 0.916 155 Q HN 0.717 nan 8.270 nan 0.000 0.418 156 F N 0.539 120.307 119.950 -0.303 0.000 2.134 156 F HA -0.087 4.440 4.527 0.001 0.000 0.299 156 F C 1.525 177.184 175.800 -0.234 0.000 1.097 156 F CA 1.116 58.976 58.000 -0.233 0.000 1.264 156 F CB -0.688 38.150 39.000 -0.269 0.000 1.001 156 F HN -0.090 nan 8.300 nan 0.000 0.479 157 N N -1.667 116.619 118.700 -0.690 0.000 2.383 157 N HA -0.052 4.689 4.740 0.001 0.000 0.192 157 N C -0.310 175.126 175.510 -0.124 0.000 1.141 157 N CA 0.150 52.959 53.050 -0.402 0.000 0.851 157 N CB -0.438 37.720 38.487 -0.549 0.000 0.976 157 N HN 0.326 nan 8.380 nan 0.000 0.465 158 Y N -1.552 118.592 120.300 -0.262 0.000 4.604 158 Y HA -0.329 4.222 4.550 0.001 0.000 0.230 158 Y C -0.794 175.159 175.900 0.089 0.000 1.066 158 Y CA 0.610 58.695 58.100 -0.025 0.000 1.990 158 Y CB -2.165 36.295 38.460 0.001 0.000 1.619 158 Y HN 0.257 nan 8.280 nan 0.000 0.649 159 W N -0.015 121.161 121.300 -0.207 0.000 5.299 159 W HA -0.114 4.546 4.660 0.001 0.000 0.428 159 W C -0.048 176.414 176.519 -0.095 0.000 1.705 159 W CA 1.122 58.345 57.345 -0.202 0.000 0.910 159 W CB -1.235 28.130 29.460 -0.157 0.000 2.924 159 W HN 0.446 nan 8.180 nan 0.000 1.236 160 D N -0.410 119.987 120.400 -0.004 0.000 2.386 160 D HA 0.452 5.093 4.640 0.001 0.000 0.247 160 D C 1.167 177.474 176.300 0.013 0.000 1.336 160 D CA 0.220 54.242 54.000 0.037 0.000 0.976 160 D CB 0.684 41.519 40.800 0.058 0.000 1.257 160 D HN 0.102 nan 8.370 nan 0.000 0.570 161 G N 2.700 111.513 108.800 0.023 0.000 2.535 161 G HA2 -0.235 3.725 3.960 0.001 0.000 0.218 161 G HA3 -0.235 3.725 3.960 0.001 0.000 0.218 161 G C 1.228 176.157 174.900 0.049 0.000 1.122 161 G CA 0.079 45.195 45.100 0.027 0.000 0.769 161 G HN 0.456 nan 8.290 nan 0.000 0.549 162 R N 0.034 120.564 120.500 0.049 0.000 2.325 162 R HA 0.218 4.559 4.340 0.001 0.000 0.214 162 R C 1.896 178.242 176.300 0.076 0.000 0.961 162 R CA 0.094 56.225 56.100 0.051 0.000 1.086 162 R CB -0.107 30.215 30.300 0.037 0.000 1.037 162 R HN 0.339 nan 8.270 nan 0.000 0.493 163 R N -1.287 119.287 120.500 0.123 0.000 2.492 163 R HA 0.122 4.463 4.340 0.001 0.000 0.219 163 R C -0.237 176.246 176.300 0.305 0.000 0.886 163 R CA 0.034 56.258 56.100 0.207 0.000 1.003 163 R CB 0.783 31.237 30.300 0.256 0.000 1.345 163 R HN 0.297 nan 8.270 nan 0.000 0.631 164 H N 1.286 120.371 119.070 0.026 0.000 2.569 164 H HA 0.313 4.869 4.556 0.001 0.000 0.247 164 H C -2.584 172.756 175.328 0.019 0.000 1.346 164 H CA -1.980 54.081 56.048 0.023 0.000 1.502 164 H CB 1.975 31.743 29.762 0.009 0.000 1.512 164 H HN 0.062 nan 8.280 nan 0.000 0.502 165 P HA 0.126 nan 4.420 nan 0.000 0.286 165 P C -0.020 177.354 177.300 0.124 0.000 1.269 165 P CA -0.217 62.943 63.100 0.099 0.000 0.787 165 P CB 0.949 32.700 31.700 0.085 0.000 0.920 166 M N 2.306 122.005 119.600 0.166 0.000 2.274 166 M HA 0.348 4.829 4.480 0.001 0.000 0.344 166 M C 0.744 177.238 176.300 0.323 0.000 1.161 166 M CA -0.215 55.228 55.300 0.238 0.000 1.126 166 M CB 1.092 33.845 32.600 0.256 0.000 1.522 166 M HN 0.157 nan 8.290 nan 0.000 0.461 167 R N 2.684 123.317 120.500 0.222 0.000 2.204 167 R HA 0.328 4.668 4.340 0.001 0.000 0.341 167 R C -0.706 175.591 176.300 -0.005 0.000 1.035 167 R CA -0.694 55.471 56.100 0.108 0.000 0.887 167 R CB 0.588 30.923 30.300 0.058 0.000 1.114 167 R HN 0.644 nan 8.270 nan 0.000 0.473 168 L N 3.282 124.334 121.223 -0.285 0.000 2.435 168 L HA 0.098 4.439 4.340 0.001 0.000 0.258 168 L C -0.218 176.430 176.870 -0.371 0.000 1.257 168 L CA 0.974 55.375 54.840 -0.732 0.000 0.823 168 L CB 0.249 41.517 42.059 -1.319 0.000 1.111 168 L HN 0.751 nan 8.230 nan 0.000 0.543 169 R N 0.970 121.246 120.500 -0.372 0.000 3.009 169 R HA 0.155 4.495 4.340 0.001 0.000 0.278 169 R C 0.265 176.471 176.300 -0.157 0.000 1.515 169 R CA -0.558 55.431 56.100 -0.183 0.000 1.055 169 R CB 0.561 30.808 30.300 -0.089 0.000 1.345 169 R HN 0.667 nan 8.270 nan 0.000 0.421 170 K N 1.688 122.000 120.400 -0.146 0.000 2.152 170 K HA -0.172 4.149 4.320 0.001 0.000 0.206 170 K C 0.781 177.366 176.600 -0.025 0.000 1.048 170 K CA 1.569 57.801 56.287 -0.092 0.000 0.933 170 K CB 0.270 32.721 32.500 -0.080 0.000 0.721 170 K HN 0.541 nan 8.250 nan 0.000 0.447 171 E N 0.540 120.728 120.200 -0.021 0.000 2.171 171 E HA -0.135 4.215 4.350 0.001 0.000 0.197 171 E C 1.312 177.937 176.600 0.041 0.000 0.997 171 E CA 1.689 58.093 56.400 0.007 0.000 0.810 171 E CB -0.083 29.616 29.700 -0.003 0.000 0.738 171 E HN 0.413 nan 8.360 nan 0.000 0.467 172 S N -2.770 112.965 115.700 0.057 0.000 2.960 172 S HA 0.396 4.866 4.470 0.001 0.000 0.256 172 S C 1.417 176.169 174.600 0.253 0.000 1.017 172 S CA -0.147 58.127 58.200 0.125 0.000 1.144 172 S CB 0.489 63.737 63.200 0.081 0.000 1.109 172 S HN 0.328 nan 8.310 nan 0.000 0.638 173 G N 1.988 110.881 108.800 0.156 0.000 2.225 173 G HA2 -0.296 3.664 3.960 0.001 0.000 0.272 173 G HA3 -0.296 3.664 3.960 0.001 0.000 0.272 173 G C 0.055 175.065 174.900 0.183 0.000 0.996 173 G CA 0.820 45.994 45.100 0.123 0.000 0.710 173 G HN 0.671 nan 8.290 nan 0.000 0.522 174 I N -0.120 120.580 120.570 0.216 0.000 2.342 174 I HA 0.403 4.574 4.170 0.001 0.000 0.291 174 I C 0.543 176.747 176.117 0.145 0.000 1.010 174 I CA -0.892 60.574 61.300 0.275 0.000 1.308 174 I CB 0.517 38.655 38.000 0.230 0.000 1.400 174 I HN 0.082 nan 8.210 nan 0.000 0.488 175 W N 5.621 126.961 121.300 0.067 0.000 2.332 175 W HA 0.538 5.198 4.660 0.000 0.000 0.351 175 W C -0.057 176.494 176.519 0.053 0.000 1.195 175 W CA -0.258 57.107 57.345 0.033 0.000 1.334 175 W CB 0.612 30.063 29.460 -0.016 0.000 1.206 175 W HN 0.426 nan 8.180 nan 0.000 0.637 176 E N 0.369 120.754 120.200 0.309 0.000 2.389 176 E HA 0.618 4.968 4.350 0.001 0.000 0.281 176 E C -2.265 174.472 176.600 0.229 0.000 1.072 176 E CA -1.161 55.387 56.400 0.247 0.000 0.845 176 E CB 1.604 31.419 29.700 0.191 0.000 1.239 176 E HN 0.375 nan 8.360 nan 0.000 0.434 177 L N 1.672 123.049 121.223 0.255 0.000 2.751 177 L HA 0.498 4.839 4.340 0.001 0.000 0.261 177 L C -2.080 174.974 176.870 0.305 0.000 0.927 177 L CA -0.449 54.532 54.840 0.234 0.000 0.968 177 L CB 1.677 43.837 42.059 0.169 0.000 1.432 177 L HN 0.705 nan 8.230 nan 0.000 0.439 178 F N 6.109 126.149 119.950 0.150 0.000 2.399 178 F HA 0.756 5.283 4.527 0.001 0.000 0.342 178 F C -0.544 175.343 175.800 0.144 0.000 1.106 178 F CA -0.189 57.900 58.000 0.148 0.000 1.196 178 F CB 0.723 39.772 39.000 0.081 0.000 1.163 178 F HN 0.386 nan 8.300 nan 0.000 0.547 179 I N 7.317 127.439 120.570 -0.747 0.000 2.468 179 I HA 0.304 4.475 4.170 0.001 0.000 0.285 179 I C -2.544 173.179 176.117 -0.656 0.000 1.039 179 I CA -2.126 58.929 61.300 -0.408 0.000 1.074 179 I CB 1.994 39.887 38.000 -0.179 0.000 1.228 179 I HN 0.429 nan 8.210 nan 0.000 0.436 180 P HA 0.213 nan 4.420 nan 0.000 0.277 180 P C 0.680 177.996 177.300 0.026 0.000 1.240 180 P CA 0.243 63.367 63.100 0.039 0.000 0.798 180 P CB 0.906 32.757 31.700 0.253 0.000 0.979 181 G N 1.253 110.090 108.800 0.061 0.000 2.179 181 G HA2 -0.144 3.817 3.960 0.001 0.000 0.257 181 G HA3 -0.144 3.817 3.960 0.001 0.000 0.257 181 G C 0.299 175.279 174.900 0.133 0.000 1.010 181 G CA 0.108 45.275 45.100 0.112 0.000 0.736 181 G HN 0.800 nan 8.290 nan 0.000 0.513 182 A N 1.496 124.306 122.820 -0.017 0.000 2.801 182 A HA 0.666 4.986 4.320 0.001 0.000 0.344 182 A C 0.600 178.108 177.584 -0.126 0.000 1.322 182 A CA -0.115 51.822 52.037 -0.166 0.000 0.913 182 A CB 0.027 18.786 19.000 -0.403 0.000 1.140 182 A HN 0.859 nan 8.150 nan 0.000 0.487 183 H N 0.522 119.545 119.070 -0.077 0.000 2.499 183 H HA 0.403 4.960 4.556 0.001 0.000 0.352 183 H C -0.294 175.014 175.328 -0.033 0.000 1.237 183 H CA -1.004 55.015 56.048 -0.048 0.000 1.343 183 H CB 0.235 29.995 29.762 -0.003 0.000 1.578 183 H HN 0.410 nan 8.280 nan 0.000 0.577 184 N N -0.738 117.981 118.700 0.031 0.000 2.202 184 N HA -0.018 4.723 4.740 0.001 0.000 0.218 184 N C 1.609 177.110 175.510 -0.015 0.000 1.328 184 N CA 1.496 54.550 53.050 0.008 0.000 0.884 184 N CB -0.214 38.316 38.487 0.073 0.000 1.106 184 N HN 0.953 nan 8.380 nan 0.000 0.439 185 G N -0.746 108.079 108.800 0.041 0.000 2.377 185 G HA2 -0.339 3.621 3.960 0.001 0.000 0.250 185 G HA3 -0.339 3.621 3.960 0.001 0.000 0.250 185 G C -0.063 174.859 174.900 0.036 0.000 1.039 185 G CA 0.406 45.541 45.100 0.058 0.000 0.625 185 G HN 0.632 nan 8.290 nan 0.000 0.526 186 Q N 0.626 120.394 119.800 -0.053 0.000 2.289 186 Q HA 0.563 4.903 4.340 0.001 0.000 0.273 186 Q C 0.706 176.831 176.000 0.208 0.000 1.029 186 Q CA -0.205 55.611 55.803 0.022 0.000 0.896 186 Q CB 0.989 29.699 28.738 -0.047 0.000 1.182 186 Q HN 0.514 nan 8.270 nan 0.000 0.385 187 L N 3.693 125.055 121.223 0.233 0.000 2.453 187 L HA 0.362 4.703 4.340 0.001 0.000 0.261 187 L C -0.405 176.665 176.870 0.333 0.000 1.179 187 L CA -0.214 54.815 54.840 0.316 0.000 0.813 187 L CB 0.239 42.501 42.059 0.339 0.000 1.110 187 L HN 0.685 nan 8.230 nan 0.000 0.466 188 Y N -0.528 119.788 120.300 0.027 0.000 2.851 188 Y HA 0.603 5.154 4.550 0.001 0.000 0.359 188 Y C -1.547 174.268 175.900 -0.143 0.000 1.231 188 Y CA -1.685 56.227 58.100 -0.315 0.000 1.106 188 Y CB 0.996 39.450 38.460 -0.010 0.000 1.409 188 Y HN 0.432 nan 8.280 nan 0.000 0.454 189 K N -0.201 120.009 120.400 -0.316 0.000 2.454 189 K HA 0.503 4.824 4.320 0.001 0.000 0.279 189 K C -2.068 174.365 176.600 -0.279 0.000 1.020 189 K CA -1.113 54.969 56.287 -0.342 0.000 0.850 189 K CB 2.459 34.973 32.500 0.023 0.000 1.529 189 K HN 0.711 nan 8.250 nan 0.000 0.390 190 Y N 0.522 120.844 120.300 0.037 0.000 2.485 190 Y HA 0.329 4.880 4.550 0.001 0.000 0.345 190 Y C -0.439 175.426 175.900 -0.059 0.000 0.998 190 Y CA -0.796 57.301 58.100 -0.006 0.000 1.059 190 Y CB 2.527 40.981 38.460 -0.010 0.000 1.234 190 Y HN 0.448 nan 8.280 nan 0.000 0.461 191 E N 4.864 125.120 120.200 0.093 0.000 2.176 191 E HA 0.580 4.931 4.350 0.001 0.000 0.267 191 E C -1.234 175.299 176.600 -0.111 0.000 0.893 191 E CA -0.685 55.711 56.400 -0.008 0.000 0.761 191 E CB 1.220 30.923 29.700 0.006 0.000 1.133 191 E HN 0.688 nan 8.360 nan 0.000 0.409 192 M N 2.227 121.737 119.600 -0.150 0.000 2.721 192 M HA 0.546 5.027 4.480 0.001 0.000 0.271 192 M C -1.704 174.500 176.300 -0.161 0.000 1.259 192 M CA -0.997 54.164 55.300 -0.232 0.000 0.835 192 M CB 1.654 34.031 32.600 -0.372 0.000 1.689 192 M HN 0.137 nan 8.290 nan 0.000 0.470 193 I N 1.675 122.155 120.570 -0.150 0.000 2.410 193 I HA 0.397 4.568 4.170 0.001 0.000 0.286 193 I C -0.721 175.346 176.117 -0.083 0.000 1.009 193 I CA -0.394 60.853 61.300 -0.087 0.000 1.111 193 I CB 0.669 38.641 38.000 -0.046 0.000 1.262 193 I HN 0.724 nan 8.210 nan 0.000 0.443 194 D N 4.025 124.381 120.400 -0.074 0.000 2.461 194 D HA -0.032 4.609 4.640 0.001 0.000 0.231 194 D C 1.272 177.557 176.300 -0.026 0.000 1.208 194 D CA 0.367 54.333 54.000 -0.057 0.000 0.879 194 D CB 0.902 41.683 40.800 -0.032 0.000 1.220 194 D HN 0.702 nan 8.370 nan 0.000 0.480 195 A N 2.272 125.084 122.820 -0.014 0.000 2.259 195 A HA -0.155 4.166 4.320 0.001 0.000 0.212 195 A C 1.000 178.588 177.584 0.007 0.000 1.178 195 A CA 0.834 52.877 52.037 0.009 0.000 0.734 195 A CB -0.243 18.762 19.000 0.009 0.000 0.774 195 A HN 0.472 nan 8.150 nan 0.000 0.481 196 N N -1.119 117.582 118.700 0.001 0.000 2.204 196 N HA 0.232 4.972 4.740 0.001 0.000 0.219 196 N C 0.957 176.468 175.510 0.001 0.000 1.151 196 N CA 0.763 53.815 53.050 0.003 0.000 0.867 196 N CB 0.696 39.186 38.487 0.005 0.000 1.043 196 N HN 0.546 nan 8.380 nan 0.000 0.516 197 G N 0.959 109.758 108.800 -0.003 0.000 2.157 197 G HA2 -0.245 3.716 3.960 0.001 0.000 0.248 197 G HA3 -0.245 3.716 3.960 0.001 0.000 0.248 197 G C -0.286 174.606 174.900 -0.012 0.000 0.979 197 G CA -0.414 44.684 45.100 -0.005 0.000 0.650 197 G HN 0.297 nan 8.290 nan 0.000 0.529 198 N N 0.619 119.309 118.700 -0.017 0.000 2.472 198 N HA 0.392 5.133 4.740 0.001 0.000 0.277 198 N C -0.033 175.455 175.510 -0.037 0.000 1.081 198 N CA -0.447 52.591 53.050 -0.021 0.000 0.973 198 N CB 1.685 40.166 38.487 -0.011 0.000 1.105 198 N HN 0.224 nan 8.380 nan 0.000 0.470 199 L N 3.275 124.477 121.223 -0.036 0.000 2.331 199 L HA 0.384 4.725 4.340 0.001 0.000 0.278 199 L C -0.255 176.582 176.870 -0.054 0.000 1.106 199 L CA 0.273 55.085 54.840 -0.047 0.000 0.824 199 L CB 0.150 42.188 42.059 -0.036 0.000 1.142 199 L HN 0.512 nan 8.230 nan 0.000 0.443 200 R N 4.753 125.211 120.500 -0.070 0.000 2.734 200 R HA 0.584 4.925 4.340 0.001 0.000 0.271 200 R C -1.454 174.805 176.300 -0.068 0.000 1.021 200 R CA -0.800 55.256 56.100 -0.072 0.000 0.893 200 R CB 1.837 32.090 30.300 -0.079 0.000 1.244 200 R HN 0.637 nan 8.270 nan 0.000 0.464 201 L N 1.614 122.806 121.223 -0.052 0.000 2.346 201 L HA 0.544 4.884 4.340 0.001 0.000 0.276 201 L C -0.364 176.500 176.870 -0.009 0.000 1.006 201 L CA -0.823 54.008 54.840 -0.016 0.000 0.817 201 L CB 1.671 43.730 42.059 -0.001 0.000 1.272 201 L HN 0.160 nan 8.230 nan 0.000 0.421 202 K N 1.866 122.284 120.400 0.029 0.000 2.378 202 K HA 0.460 4.780 4.320 0.001 0.000 0.252 202 K C -1.053 175.611 176.600 0.106 0.000 0.931 202 K CA -0.604 55.732 56.287 0.082 0.000 0.794 202 K CB 2.397 34.903 32.500 0.010 0.000 1.181 202 K HN 0.455 nan 8.250 nan 0.000 0.425 203 S N 1.489 117.244 115.700 0.092 0.000 2.523 203 S HA 0.025 4.496 4.470 0.001 0.000 0.275 203 S C -0.135 174.510 174.600 0.075 0.000 1.281 203 S CA -0.557 57.626 58.200 -0.027 0.000 1.050 203 S CB 0.742 63.931 63.200 -0.020 0.000 0.937 203 S HN 0.415 nan 8.310 nan 0.000 0.492 204 D N 4.126 124.480 120.400 -0.076 0.000 2.426 204 D HA 0.030 4.670 4.640 0.001 0.000 0.261 204 D C -0.913 175.468 176.300 0.134 0.000 1.245 204 D CA -1.669 52.450 54.000 0.198 0.000 0.917 204 D CB 0.785 41.663 40.800 0.130 0.000 1.123 204 D HN 0.188 nan 8.370 nan 0.000 0.508 205 P HA -0.185 nan 4.420 nan 0.000 0.221 205 P C 0.301 177.581 177.300 -0.033 0.000 1.145 205 P CA 1.043 64.150 63.100 0.012 0.000 0.795 205 P CB -0.042 31.509 31.700 -0.248 0.000 0.775 206 Y N 0.066 120.341 120.300 -0.042 0.000 2.811 206 Y HA 0.448 4.999 4.550 0.001 0.000 0.330 206 Y C 1.179 176.627 175.900 -0.754 0.000 1.081 206 Y CA -0.756 57.097 58.100 -0.412 0.000 1.408 206 Y CB -0.373 37.853 38.460 -0.390 0.000 1.235 206 Y HN -0.071 nan 8.280 nan 0.000 0.529 207 A N -0.346 122.288 122.820 -0.310 0.000 2.450 207 A HA 0.296 4.616 4.320 0.001 0.000 0.255 207 A C 0.080 177.493 177.584 -0.285 0.000 1.096 207 A CA -0.099 51.748 52.037 -0.318 0.000 0.778 207 A CB 0.013 18.939 19.000 -0.124 0.000 1.031 207 A HN 0.474 nan 8.150 nan 0.000 0.494 208 F N 0.260 120.298 119.950 0.146 0.000 2.749 208 F HA 0.288 4.816 4.527 0.001 0.000 0.300 208 F C 0.954 176.903 175.800 0.248 0.000 1.103 208 F CA 0.510 58.643 58.000 0.222 0.000 1.342 208 F CB 0.227 39.369 39.000 0.237 0.000 1.098 208 F HN 0.672 nan 8.300 nan 0.000 0.586 209 E N -0.024 120.347 120.200 0.285 0.000 2.347 209 E HA 0.646 4.997 4.350 0.001 0.000 0.285 209 E C -1.578 175.096 176.600 0.123 0.000 0.925 209 E CA -0.525 56.008 56.400 0.223 0.000 0.779 209 E CB 1.720 31.563 29.700 0.239 0.000 1.233 209 E HN -0.011 nan 8.360 nan 0.000 0.414 210 A N 3.355 126.225 122.820 0.083 0.000 2.469 210 A HA 0.509 4.830 4.320 0.001 0.000 0.299 210 A C -1.241 176.349 177.584 0.011 0.000 1.098 210 A CA -0.692 51.362 52.037 0.028 0.000 0.737 210 A CB 1.912 20.918 19.000 0.009 0.000 1.312 210 A HN 0.546 nan 8.150 nan 0.000 0.414 211 Q N 2.756 122.551 119.800 -0.008 0.000 2.509 211 Q HA 0.388 4.728 4.340 0.001 0.000 0.230 211 Q C 0.579 176.555 176.000 -0.041 0.000 1.089 211 Q CA -0.434 55.358 55.803 -0.019 0.000 0.901 211 Q CB 0.474 29.208 28.738 -0.006 0.000 1.208 211 Q HN 0.898 nan 8.270 nan 0.000 0.529 212 M N 3.871 123.437 119.600 -0.056 0.000 3.288 212 M HA -0.212 4.268 4.480 0.001 0.000 0.293 212 M C 1.421 177.676 176.300 -0.076 0.000 1.094 212 M CA 1.655 56.913 55.300 -0.070 0.000 1.065 212 M CB -0.041 32.495 32.600 -0.107 0.000 1.142 212 M HN 0.686 nan 8.290 nan 0.000 0.592 213 R N 0.035 120.477 120.500 -0.098 0.000 2.143 213 R HA -0.132 4.208 4.340 0.001 0.000 0.239 213 R C -1.273 174.976 176.300 -0.086 0.000 1.126 213 R CA 1.418 57.457 56.100 -0.102 0.000 0.927 213 R CB -2.661 27.573 30.300 -0.109 0.000 0.860 213 R HN 0.413 nan 8.270 nan 0.000 0.433 214 P HA -0.055 nan 4.420 nan 0.000 0.250 214 P C -0.551 176.693 177.300 -0.094 0.000 1.198 214 P CA 0.785 63.835 63.100 -0.084 0.000 1.118 214 P CB -0.163 31.493 31.700 -0.072 0.000 1.208 215 E N 0.974 121.113 120.200 -0.102 0.000 3.153 215 E HA -0.335 4.015 4.350 0.001 0.000 0.270 215 E C -0.253 176.294 176.600 -0.088 0.000 1.018 215 E CA 1.408 57.741 56.400 -0.111 0.000 0.781 215 E CB -1.525 28.078 29.700 -0.162 0.000 1.394 215 E HN 0.531 nan 8.360 nan 0.000 0.464 216 T N -1.255 113.258 114.554 -0.069 0.000 1.884 216 T HA 0.033 4.383 4.350 0.001 0.000 0.603 216 T C -0.580 174.093 174.700 -0.045 0.000 0.914 216 T CA 0.555 62.626 62.100 -0.048 0.000 3.205 216 T CB -0.717 68.133 68.868 -0.030 0.000 1.886 216 T HN 0.698 nan 8.240 nan 0.000 0.439 217 A N 3.134 125.929 122.820 -0.040 0.000 2.515 217 A HA 0.864 5.184 4.320 0.001 0.000 0.298 217 A C 0.139 177.657 177.584 -0.109 0.000 1.059 217 A CA -0.677 51.339 52.037 -0.035 0.000 0.698 217 A CB 1.796 20.852 19.000 0.092 0.000 1.289 217 A HN 0.734 nan 8.150 nan 0.000 0.404 218 S N -0.116 115.397 115.700 -0.312 0.000 2.632 218 S HA 0.599 5.069 4.470 0.001 0.000 0.267 218 S C -0.536 173.964 174.600 -0.168 0.000 1.276 218 S CA -0.252 57.716 58.200 -0.387 0.000 0.998 218 S CB 0.970 63.656 63.200 -0.857 0.000 0.953 218 S HN 0.776 nan 8.310 nan 0.000 0.547 219 L N 1.880 123.139 121.223 0.060 0.000 2.356 219 L HA 0.547 4.888 4.340 0.001 0.000 0.277 219 L C -0.898 176.170 176.870 0.330 0.000 0.996 219 L CA -0.333 54.643 54.840 0.227 0.000 0.822 219 L CB 0.980 43.133 42.059 0.155 0.000 1.256 219 L HN 0.611 nan 8.230 nan 0.000 0.413 220 I N 4.843 125.601 120.570 0.313 0.000 2.618 220 I HA 0.298 4.469 4.170 0.001 0.000 0.284 220 I C 0.019 176.189 176.117 0.087 0.000 1.146 220 I CA 0.190 61.543 61.300 0.089 0.000 1.425 220 I CB 0.176 38.097 38.000 -0.132 0.000 1.383 220 I HN 0.842 nan 8.210 nan 0.000 0.562 221 C N 2.996 122.352 119.300 0.094 0.000 3.197 221 C HA 0.646 5.106 4.460 0.001 0.000 0.343 221 C C 0.415 175.479 174.990 0.124 0.000 1.291 221 C CA -0.626 58.465 59.018 0.122 0.000 1.191 221 C CB 0.471 28.322 27.740 0.186 0.000 1.444 221 C HN 0.889 nan 8.230 nan 0.000 0.468 222 G N -0.021 108.827 108.800 0.080 0.000 2.580 222 G HA2 0.536 4.496 3.960 0.001 0.000 0.225 222 G HA3 0.536 4.496 3.960 0.001 0.000 0.225 222 G C -1.100 173.757 174.900 -0.072 0.000 1.521 222 G CA -0.304 44.820 45.100 0.040 0.000 1.068 222 G HN 0.920 nan 8.290 nan 0.000 0.564 223 L N 1.581 122.753 121.223 -0.085 0.000 2.341 223 L HA 0.460 4.800 4.340 0.001 0.000 0.278 223 L C -1.912 174.884 176.870 -0.122 0.000 1.005 223 L CA -2.001 52.726 54.840 -0.188 0.000 0.818 223 L CB 1.900 43.919 42.059 -0.067 0.000 1.259 223 L HN 0.280 nan 8.230 nan 0.000 0.418 224 P HA -0.006 nan 4.420 nan 0.000 0.264 224 P C 0.289 177.471 177.300 -0.196 0.000 1.183 224 P CA -0.055 62.878 63.100 -0.277 0.000 0.763 224 P CB 0.913 32.213 31.700 -0.667 0.000 0.807 225 E N 3.739 123.856 120.200 -0.139 0.000 2.090 225 E HA -0.207 4.144 4.350 0.001 0.000 0.242 225 E C 0.117 176.665 176.600 -0.088 0.000 0.988 225 E CA 1.857 58.203 56.400 -0.089 0.000 0.921 225 E CB -0.215 29.441 29.700 -0.074 0.000 0.848 225 E HN 0.629 nan 8.360 nan 0.000 0.553 226 K N -1.982 118.358 120.400 -0.099 0.000 2.721 226 K HA 0.188 4.509 4.320 0.001 0.000 0.285 226 K C -2.021 174.538 176.600 -0.069 0.000 1.124 226 K CA -0.082 56.160 56.287 -0.075 0.000 1.021 226 K CB 0.636 33.115 32.500 -0.033 0.000 1.387 226 K HN 0.045 nan 8.250 nan 0.000 0.418 227 V N 4.444 124.317 119.914 -0.068 0.000 2.370 227 V HA 0.371 4.492 4.120 0.001 0.000 0.279 227 V C 0.249 176.314 176.094 -0.047 0.000 1.029 227 V CA -0.819 61.447 62.300 -0.056 0.000 0.870 227 V CB 1.121 32.917 31.823 -0.045 0.000 0.984 227 V HN 0.476 nan 8.190 nan 0.000 0.451 228 V N 2.513 122.395 119.914 -0.054 0.000 2.509 228 V HA 0.564 4.685 4.120 0.001 0.000 0.284 228 V C -0.090 175.956 176.094 -0.080 0.000 1.047 228 V CA -0.732 61.535 62.300 -0.054 0.000 0.952 228 V CB 1.310 33.104 31.823 -0.048 0.000 0.988 228 V HN 0.869 nan 8.190 nan 0.000 0.469 229 Q N 3.864 123.616 119.800 -0.080 0.000 2.313 229 Q HA 0.405 4.745 4.340 0.001 0.000 0.266 229 Q C 0.387 176.320 176.000 -0.111 0.000 0.989 229 Q CA 0.333 56.068 55.803 -0.112 0.000 0.890 229 Q CB 0.883 29.566 28.738 -0.092 0.000 1.200 229 Q HN 1.151 nan 8.270 nan 0.000 0.396 230 T N 0.531 114.996 114.554 -0.148 0.000 2.899 230 T HA 0.198 4.548 4.350 0.001 0.000 0.284 230 T C 0.787 175.425 174.700 -0.104 0.000 1.004 230 T CA -0.593 61.434 62.100 -0.122 0.000 1.043 230 T CB 1.174 69.956 68.868 -0.144 0.000 1.013 230 T HN 0.694 nan 8.240 nan 0.000 0.518 231 E N 0.308 120.461 120.200 -0.078 0.000 2.153 231 E HA -0.134 4.216 4.350 0.001 0.000 0.194 231 E C 1.927 178.486 176.600 -0.069 0.000 0.988 231 E CA 1.232 57.594 56.400 -0.062 0.000 0.811 231 E CB -0.156 29.515 29.700 -0.047 0.000 0.746 231 E HN 0.667 nan 8.360 nan 0.000 0.466 232 E N 0.017 120.167 120.200 -0.083 0.000 2.072 232 E HA -0.066 4.284 4.350 0.001 0.000 0.190 232 E C 2.171 178.707 176.600 -0.108 0.000 0.982 232 E CA 0.667 57.015 56.400 -0.086 0.000 0.803 232 E CB -0.221 29.427 29.700 -0.087 0.000 0.755 232 E HN 0.270 nan 8.360 nan 0.000 0.453 233 R N 0.860 121.270 120.500 -0.149 0.000 2.105 233 R HA -0.090 4.251 4.340 0.001 0.000 0.239 233 R C 2.335 178.558 176.300 -0.128 0.000 1.135 233 R CA 1.198 57.189 56.100 -0.181 0.000 0.967 233 R CB -0.101 30.031 30.300 -0.280 0.000 0.861 233 R HN 0.121 nan 8.270 nan 0.000 0.442 234 K N 0.629 120.965 120.400 -0.107 0.000 2.025 234 K HA -0.167 4.153 4.320 0.001 0.000 0.207 234 K C 2.086 178.653 176.600 -0.056 0.000 1.049 234 K CA 1.141 57.379 56.287 -0.082 0.000 0.933 234 K CB -0.150 32.311 32.500 -0.066 0.000 0.714 234 K HN 0.054 nan 8.250 nan 0.000 0.438 235 K N 1.021 121.393 120.400 -0.046 0.000 2.211 235 K HA -0.119 4.202 4.320 0.001 0.000 0.204 235 K C 1.941 178.537 176.600 -0.007 0.000 1.047 235 K CA 1.093 57.366 56.287 -0.023 0.000 0.935 235 K CB -0.040 32.445 32.500 -0.025 0.000 0.728 235 K HN 0.144 nan 8.250 nan 0.000 0.452 236 A N 0.820 123.629 122.820 -0.018 0.000 2.066 236 A HA -0.106 4.215 4.320 0.001 0.000 0.218 236 A C 1.473 179.140 177.584 0.138 0.000 1.157 236 A CA 1.397 53.450 52.037 0.026 0.000 0.670 236 A CB -0.419 18.540 19.000 -0.069 0.000 0.804 236 A HN 0.489 nan 8.150 nan 0.000 0.453 237 N N -0.503 118.244 118.700 0.079 0.000 2.424 237 N HA -0.010 4.730 4.740 0.001 0.000 0.178 237 N C 0.051 175.594 175.510 0.055 0.000 1.060 237 N CA -0.163 52.926 53.050 0.064 0.000 0.901 237 N CB 0.057 38.511 38.487 -0.055 0.000 0.979 237 N HN 0.618 nan 8.380 nan 0.000 0.451 238 Q N 0.157 119.975 119.800 0.030 0.000 2.428 238 Q HA -0.043 4.297 4.340 0.001 0.000 0.276 238 Q C 0.288 176.399 176.000 0.184 0.000 1.059 238 Q CA 0.197 56.006 55.803 0.010 0.000 0.923 238 Q CB 0.405 29.170 28.738 0.045 0.000 1.283 238 Q HN 0.329 nan 8.270 nan 0.000 0.447 239 F N 0.915 121.087 119.950 0.371 0.000 2.307 239 F HA -0.181 4.346 4.527 0.001 0.000 0.301 239 F C 1.635 177.645 175.800 0.350 0.000 1.076 239 F CA 0.650 58.952 58.000 0.503 0.000 1.383 239 F CB 0.081 39.349 39.000 0.445 0.000 1.055 239 F HN 0.630 nan 8.300 nan 0.000 0.526 240 D N -0.340 120.281 120.400 0.367 0.000 2.368 240 D HA 0.201 4.841 4.640 0.001 0.000 0.218 240 D C 0.322 176.747 176.300 0.208 0.000 1.112 240 D CA 0.102 54.243 54.000 0.235 0.000 0.834 240 D CB -0.334 40.572 40.800 0.176 0.000 0.953 240 D HN 0.076 nan 8.370 nan 0.000 0.505 241 A N 1.481 124.407 122.820 0.176 0.000 2.306 241 A HA 0.612 4.933 4.320 0.001 0.000 0.330 241 A C -2.587 174.947 177.584 -0.083 0.000 1.146 241 A CA -1.627 50.435 52.037 0.043 0.000 0.827 241 A CB 0.944 19.969 19.000 0.041 0.000 1.178 241 A HN -0.003 nan 8.150 nan 0.000 0.490 242 P HA 0.351 nan 4.420 nan 0.000 0.282 242 P C -1.038 176.191 177.300 -0.118 0.000 1.262 242 P CA 0.409 63.106 63.100 -0.673 0.000 0.773 242 P CB 0.601 31.476 31.700 -1.376 0.000 0.879 243 I N 2.286 122.943 120.570 0.145 0.000 2.448 243 I HA 0.192 4.362 4.170 0.001 0.000 0.281 243 I C 0.086 176.294 176.117 0.152 0.000 1.027 243 I CA -0.355 61.006 61.300 0.101 0.000 1.111 243 I CB 1.742 39.658 38.000 -0.140 0.000 1.236 243 I HN 0.239 nan 8.210 nan 0.000 0.452 244 S N 7.577 123.432 115.700 0.260 0.000 2.640 244 S HA 0.639 5.110 4.470 0.001 0.000 0.320 244 S C -0.595 174.242 174.600 0.395 0.000 1.097 244 S CA -0.436 57.920 58.200 0.259 0.000 1.092 244 S CB 0.485 63.923 63.200 0.397 0.000 0.988 244 S HN 0.413 nan 8.310 nan 0.000 0.470 245 I N 4.777 125.481 120.570 0.224 0.000 2.353 245 I HA 0.324 4.494 4.170 0.001 0.000 0.293 245 I C -0.617 175.542 176.117 0.069 0.000 0.992 245 I CA -0.793 60.610 61.300 0.172 0.000 1.268 245 I CB 1.161 39.172 38.000 0.017 0.000 1.387 245 I HN 0.647 nan 8.210 nan 0.000 0.478 246 Y N 6.174 126.282 120.300 -0.321 0.000 2.504 246 Y HA 0.269 4.819 4.550 0.001 0.000 0.339 246 Y C 0.272 176.018 175.900 -0.257 0.000 0.974 246 Y CA -0.583 57.093 58.100 -0.707 0.000 1.232 246 Y CB 0.700 38.511 38.460 -1.082 0.000 1.108 246 Y HN 0.563 nan 8.280 nan 0.000 0.509 247 E N 5.903 125.893 120.200 -0.350 0.000 2.259 247 E HA 0.423 4.773 4.350 0.001 0.000 0.281 247 E C -1.275 175.137 176.600 -0.312 0.000 1.037 247 E CA -0.528 55.791 56.400 -0.134 0.000 0.854 247 E CB 0.865 30.652 29.700 0.145 0.000 1.051 247 E HN 0.540 nan 8.360 nan 0.000 0.409 248 V N 1.985 121.778 119.914 -0.201 0.000 3.007 248 V HA 0.396 4.517 4.120 0.001 0.000 0.311 248 V C -0.779 175.320 176.094 0.007 0.000 1.120 248 V CA -0.970 61.190 62.300 -0.234 0.000 0.980 248 V CB 1.829 33.457 31.823 -0.325 0.000 1.033 248 V HN 0.792 nan 8.190 nan 0.000 0.429 249 H N 4.154 123.219 119.070 -0.008 0.000 2.725 249 H HA 0.454 5.011 4.556 0.001 0.000 0.283 249 H C 0.531 175.922 175.328 0.106 0.000 1.110 249 H CA -0.493 55.614 56.048 0.097 0.000 1.289 249 H CB 1.493 31.429 29.762 0.289 0.000 1.400 249 H HN 0.823 nan 8.280 nan 0.000 0.493 250 L N 3.000 124.019 121.223 -0.341 0.000 2.211 250 L HA -0.171 4.169 4.340 0.001 0.000 0.216 250 L C 2.042 178.566 176.870 -0.577 0.000 1.092 250 L CA 1.699 56.204 54.840 -0.558 0.000 0.767 250 L CB -0.344 41.162 42.059 -0.921 0.000 0.894 250 L HN 0.627 nan 8.230 nan 0.000 0.437 251 G N -1.345 107.270 108.800 -0.309 0.000 3.383 251 G HA2 0.151 4.112 3.960 0.001 0.000 0.251 251 G HA3 0.151 4.112 3.960 0.001 0.000 0.251 251 G C 0.817 176.192 174.900 0.793 0.000 1.203 251 G CA 0.632 45.919 45.100 0.313 0.000 0.852 251 G HN 0.479 nan 8.290 nan 0.000 0.531 252 S N -3.012 113.098 115.700 0.684 0.000 2.857 252 S HA -0.030 4.440 4.470 0.001 0.000 0.238 252 S C 0.850 175.782 174.600 0.553 0.000 0.875 252 S CA -0.292 58.310 58.200 0.670 0.000 1.368 252 S CB -0.939 62.745 63.200 0.805 0.000 1.238 252 S HN 0.361 nan 8.310 nan 0.000 0.635 253 W N 3.032 124.509 121.300 0.295 0.000 2.409 253 W HA 0.432 5.092 4.660 0.001 0.000 0.299 253 W C 0.601 177.390 176.519 0.450 0.000 1.203 253 W CA 0.830 58.341 57.345 0.277 0.000 1.298 253 W CB 0.172 29.732 29.460 0.166 0.000 1.127 253 W HN 0.335 nan 8.180 nan 0.000 0.528 254 R N 0.440 121.096 120.500 0.260 0.000 2.604 254 R HA 0.334 4.675 4.340 0.001 0.000 0.270 254 R C -1.293 175.075 176.300 0.114 0.000 1.052 254 R CA -0.748 55.351 56.100 -0.001 0.000 0.902 254 R CB 1.104 31.113 30.300 -0.485 0.000 1.233 254 R HN -0.301 nan 8.270 nan 0.000 0.455 255 R N 1.338 121.887 120.500 0.081 0.000 2.807 255 R HA 0.308 4.648 4.340 0.001 0.000 0.276 255 R C -0.891 175.452 176.300 0.072 0.000 0.979 255 R CA -0.953 55.200 56.100 0.089 0.000 0.928 255 R CB 1.462 31.836 30.300 0.124 0.000 1.191 255 R HN 0.728 nan 8.270 nan 0.000 0.471 256 H N 0.572 119.709 119.070 0.111 0.000 2.848 256 H HA -0.000 4.556 4.556 0.001 0.000 0.341 256 H C 0.939 176.261 175.328 -0.011 0.000 1.060 256 H CA 0.340 56.417 56.048 0.048 0.000 1.444 256 H CB 0.975 30.778 29.762 0.068 0.000 1.446 256 H HN 0.497 nan 8.280 nan 0.000 0.583 257 T N 2.649 117.270 114.554 0.112 0.000 2.294 257 T HA -0.292 4.058 4.350 0.001 0.000 0.221 257 T C 1.348 176.039 174.700 -0.016 0.000 1.526 257 T CA 1.843 63.957 62.100 0.024 0.000 1.180 257 T CB -0.185 68.676 68.868 -0.011 0.000 0.859 257 T HN 0.708 nan 8.240 nan 0.000 0.400 258 D N 0.886 121.247 120.400 -0.066 0.000 2.091 258 D HA -0.042 4.599 4.640 0.001 0.000 0.199 258 D C 2.267 178.467 176.300 -0.166 0.000 0.980 258 D CA 0.758 54.697 54.000 -0.103 0.000 0.831 258 D CB -0.548 40.181 40.800 -0.118 0.000 0.987 258 D HN 0.315 nan 8.370 nan 0.000 0.460 259 N N 1.427 119.948 118.700 -0.297 0.000 2.094 259 N HA -0.197 4.543 4.740 0.001 0.000 0.191 259 N C 0.919 176.257 175.510 -0.287 0.000 1.023 259 N CA 0.798 53.466 53.050 -0.638 0.000 0.857 259 N CB -0.370 37.343 38.487 -1.289 0.000 1.013 259 N HN 0.288 nan 8.380 nan 0.000 0.426 260 N N -0.724 117.943 118.700 -0.055 0.000 2.818 260 N HA -0.188 4.553 4.740 0.001 0.000 0.250 260 N C -0.922 174.705 175.510 0.195 0.000 1.108 260 N CA 0.224 53.311 53.050 0.063 0.000 0.745 260 N CB -1.548 36.953 38.487 0.025 0.000 1.104 260 N HN 0.212 nan 8.380 nan 0.000 0.557 261 F N -0.017 119.944 119.950 0.020 0.000 2.380 261 F HA 0.220 4.747 4.527 0.001 0.000 0.325 261 F C 1.369 177.180 175.800 0.019 0.000 1.136 261 F CA -0.995 57.005 58.000 0.001 0.000 1.171 261 F CB 0.395 39.492 39.000 0.162 0.000 1.230 261 F HN -0.106 nan 8.300 nan 0.000 0.554 262 W N 3.337 124.745 121.300 0.180 0.000 2.170 262 W HA 0.237 4.898 4.660 0.001 0.000 0.336 262 W C -0.130 176.363 176.519 -0.043 0.000 1.283 262 W CA -0.731 56.683 57.345 0.116 0.000 1.224 262 W CB 0.193 29.813 29.460 0.266 0.000 1.132 262 W HN 0.196 nan 8.180 nan 0.000 0.571 263 L N 2.669 123.944 121.223 0.087 0.000 2.453 263 L HA 0.165 4.505 4.340 0.001 0.000 0.261 263 L C 1.122 178.004 176.870 0.021 0.000 1.179 263 L CA -0.290 54.495 54.840 -0.093 0.000 0.813 263 L CB 0.360 42.391 42.059 -0.046 0.000 1.110 263 L HN 0.401 nan 8.230 nan 0.000 0.466 264 S N -0.390 115.341 115.700 0.052 0.000 2.694 264 S HA 0.224 4.694 4.470 0.001 0.000 0.278 264 S C 0.812 175.375 174.600 -0.062 0.000 1.152 264 S CA -0.492 57.721 58.200 0.021 0.000 1.010 264 S CB 0.441 63.713 63.200 0.121 0.000 1.104 264 S HN 0.426 nan 8.310 nan 0.000 0.547 265 Y N 0.764 121.128 120.300 0.106 0.000 2.314 265 Y HA 0.100 4.651 4.550 0.001 0.000 0.293 265 Y C 2.812 178.855 175.900 0.239 0.000 1.129 265 Y CA 0.865 59.010 58.100 0.074 0.000 1.201 265 Y CB -0.328 38.266 38.460 0.224 0.000 0.999 265 Y HN 0.482 nan 8.280 nan 0.000 0.541 266 R N 0.335 121.040 120.500 0.342 0.000 2.075 266 R HA -0.114 4.226 4.340 0.001 0.000 0.232 266 R C 1.937 178.403 176.300 0.278 0.000 1.126 266 R CA 1.343 57.605 56.100 0.270 0.000 0.963 266 R CB -0.480 29.863 30.300 0.071 0.000 0.858 266 R HN 0.492 nan 8.270 nan 0.000 0.435 267 E N 0.728 121.056 120.200 0.215 0.000 2.072 267 E HA -0.070 4.280 4.350 0.001 0.000 0.190 267 E C 2.192 178.922 176.600 0.218 0.000 0.982 267 E CA 0.658 57.182 56.400 0.206 0.000 0.803 267 E CB -0.092 29.727 29.700 0.198 0.000 0.755 267 E HN 0.176 nan 8.360 nan 0.000 0.453 268 L N 0.728 122.058 121.223 0.179 0.000 2.079 268 L HA -0.215 4.125 4.340 0.001 0.000 0.210 268 L C 2.559 179.635 176.870 0.343 0.000 1.081 268 L CA 0.999 55.938 54.840 0.165 0.000 0.752 268 L CB -0.450 41.548 42.059 -0.102 0.000 0.896 268 L HN 0.164 nan 8.230 nan 0.000 0.433 269 A N -0.345 122.765 122.820 0.484 0.000 1.902 269 A HA -0.232 4.089 4.320 0.001 0.000 0.217 269 A C 1.940 179.657 177.584 0.222 0.000 1.181 269 A CA 1.963 54.243 52.037 0.405 0.000 0.623 269 A CB -0.453 18.845 19.000 0.497 0.000 0.818 269 A HN 0.366 nan 8.150 nan 0.000 0.443 270 D N -1.079 119.466 120.400 0.241 0.000 2.224 270 D HA -0.065 4.575 4.640 0.001 0.000 0.205 270 D C 1.999 178.395 176.300 0.160 0.000 0.965 270 D CA 1.266 55.373 54.000 0.178 0.000 0.852 270 D CB 0.024 40.928 40.800 0.174 0.000 0.947 270 D HN 0.687 nan 8.370 nan 0.000 0.494 271 Q N -0.855 119.062 119.800 0.194 0.000 2.532 271 Q HA 0.107 4.447 4.340 0.001 0.000 0.247 271 Q C 1.837 177.985 176.000 0.246 0.000 0.872 271 Q CA -0.220 55.727 55.803 0.240 0.000 0.963 271 Q CB 0.320 29.241 28.738 0.304 0.000 1.159 271 Q HN 0.025 nan 8.270 nan 0.000 0.598 272 L N 0.747 121.962 121.223 -0.013 0.000 2.072 272 L HA -0.067 4.273 4.340 0.001 0.000 0.205 272 L C 1.963 178.796 176.870 -0.062 0.000 1.079 272 L CA 1.449 56.013 54.840 -0.461 0.000 0.752 272 L CB -0.443 41.202 42.059 -0.689 0.000 0.906 272 L HN -0.007 nan 8.230 nan 0.000 0.436 273 V N 0.724 120.639 119.914 0.002 0.000 2.237 273 V HA -0.194 3.926 4.120 0.001 0.000 0.245 273 V C 0.051 176.171 176.094 0.043 0.000 1.046 273 V CA 2.402 64.680 62.300 -0.038 0.000 1.007 273 V CB -1.905 29.836 31.823 -0.138 0.000 0.638 273 V HN 0.338 nan 8.190 nan 0.000 0.445 274 P HA -0.215 nan 4.420 nan 0.000 0.216 274 P C 1.585 179.018 177.300 0.222 0.000 1.153 274 P CA 1.629 64.809 63.100 0.133 0.000 0.858 274 P CB -0.157 31.617 31.700 0.123 0.000 0.789 275 Y N 0.874 121.259 120.300 0.142 0.000 2.097 275 Y HA -0.232 4.318 4.550 0.001 0.000 0.282 275 Y C 2.401 178.408 175.900 0.177 0.000 1.152 275 Y CA 1.780 60.010 58.100 0.217 0.000 1.136 275 Y CB -1.171 37.480 38.460 0.318 0.000 0.975 275 Y HN -0.118 nan 8.280 nan 0.000 0.498 276 A N 0.401 123.236 122.820 0.025 0.000 1.940 276 A HA -0.246 4.074 4.320 0.001 0.000 0.219 276 A C 2.347 179.949 177.584 0.031 0.000 1.176 276 A CA 2.059 54.041 52.037 -0.090 0.000 0.631 276 A CB -0.835 18.153 19.000 -0.020 0.000 0.814 276 A HN 0.567 nan 8.150 nan 0.000 0.446 277 K N -1.253 119.181 120.400 0.056 0.000 1.985 277 K HA -0.199 4.122 4.320 0.001 0.000 0.210 277 K C 2.077 178.718 176.600 0.068 0.000 1.047 277 K CA 1.504 57.830 56.287 0.065 0.000 0.932 277 K CB -0.448 32.100 32.500 0.081 0.000 0.716 277 K HN 0.724 nan 8.250 nan 0.000 0.439 278 W N 0.948 122.216 121.300 -0.054 0.000 2.321 278 W HA -0.232 4.429 4.660 0.001 0.000 0.306 278 W C 1.411 177.861 176.519 -0.114 0.000 1.217 278 W CA 0.991 58.301 57.345 -0.058 0.000 1.257 278 W CB -0.038 29.412 29.460 -0.017 0.000 1.145 278 W HN 0.182 nan 8.180 nan 0.000 0.509 279 M N 0.569 120.048 119.600 -0.202 0.000 2.632 279 M HA 0.005 4.485 4.480 0.001 0.000 0.256 279 M C 1.904 177.935 176.300 -0.448 0.000 1.080 279 M CA 1.682 56.776 55.300 -0.344 0.000 1.084 279 M CB -1.718 30.693 32.600 -0.314 0.000 1.439 279 M HN 0.322 nan 8.290 nan 0.000 0.509 280 G N -0.072 108.537 108.800 -0.318 0.000 2.176 280 G HA2 -0.258 3.703 3.960 0.001 0.000 0.253 280 G HA3 -0.258 3.703 3.960 0.001 0.000 0.253 280 G C 0.059 174.852 174.900 -0.179 0.000 0.979 280 G CA -0.376 44.557 45.100 -0.278 0.000 0.641 280 G HN 0.414 nan 8.290 nan 0.000 0.530 281 F N 1.289 121.228 119.950 -0.020 0.000 2.471 281 F HA 0.411 4.938 4.527 0.001 0.000 0.353 281 F C 2.108 177.950 175.800 0.070 0.000 1.113 281 F CA 0.824 58.871 58.000 0.078 0.000 1.262 281 F CB 1.197 40.244 39.000 0.078 0.000 1.146 281 F HN 0.094 nan 8.300 nan 0.000 0.578 282 T N -2.037 112.718 114.554 0.334 0.000 3.051 282 T HA 0.107 4.458 4.350 0.001 0.000 0.255 282 T C 0.378 175.137 174.700 0.098 0.000 1.085 282 T CA 0.526 62.748 62.100 0.203 0.000 1.109 282 T CB -0.255 68.773 68.868 0.267 0.000 0.921 282 T HN 0.526 nan 8.240 nan 0.000 0.488 283 H N -0.443 118.708 119.070 0.135 0.000 2.865 283 H HA 0.633 5.189 4.556 0.001 0.000 0.372 283 H C -1.697 173.676 175.328 0.075 0.000 1.173 283 H CA -1.119 54.974 56.048 0.076 0.000 1.147 283 H CB 2.310 32.100 29.762 0.046 0.000 1.805 283 H HN 0.024 nan 8.280 nan 0.000 0.553 284 L N 2.023 123.331 121.223 0.142 0.000 2.325 284 L HA 0.241 4.582 4.340 0.001 0.000 0.281 284 L C -0.230 176.692 176.870 0.088 0.000 1.004 284 L CA -0.264 54.630 54.840 0.090 0.000 0.823 284 L CB 1.458 43.533 42.059 0.027 0.000 1.236 284 L HN 0.687 nan 8.230 nan 0.000 0.415 285 E N 5.492 125.730 120.200 0.062 0.000 2.155 285 E HA 0.514 4.864 4.350 0.001 0.000 0.264 285 E C -1.665 174.953 176.600 0.031 0.000 0.886 285 E CA -0.593 55.848 56.400 0.068 0.000 0.752 285 E CB 0.978 30.742 29.700 0.107 0.000 1.133 285 E HN 0.647 nan 8.360 nan 0.000 0.414 286 L N 4.760 125.998 121.223 0.025 0.000 2.282 286 L HA 0.372 4.713 4.340 0.001 0.000 0.288 286 L C -0.163 176.672 176.870 -0.059 0.000 1.033 286 L CA -1.129 53.702 54.840 -0.016 0.000 0.807 286 L CB 0.680 42.741 42.059 0.004 0.000 1.209 286 L HN 0.512 nan 8.230 nan 0.000 0.423 287 L N 4.556 125.732 121.223 -0.079 0.000 2.482 287 L HA 0.131 4.472 4.340 0.001 0.000 0.273 287 L C -1.869 174.851 176.870 -0.249 0.000 1.228 287 L CA -0.778 53.967 54.840 -0.158 0.000 0.827 287 L CB -0.514 41.467 42.059 -0.130 0.000 1.099 287 L HN 0.389 nan 8.230 nan 0.000 0.494 288 P HA -0.153 nan 4.420 nan 0.000 0.252 288 P C 0.210 177.324 177.300 -0.311 0.000 1.136 288 P CA 0.804 63.650 63.100 -0.423 0.000 0.778 288 P CB -0.020 31.294 31.700 -0.643 0.000 0.722 289 I N 0.031 120.418 120.570 -0.306 0.000 3.793 289 I HA 0.100 4.270 4.170 0.001 0.000 0.315 289 I C 0.599 176.610 176.117 -0.178 0.000 1.275 289 I CA -0.182 60.962 61.300 -0.261 0.000 1.214 289 I CB -0.962 36.726 38.000 -0.520 0.000 1.018 289 I HN 0.120 nan 8.210 nan 0.000 0.439 290 N N 2.853 121.477 118.700 -0.127 0.000 2.237 290 N HA -0.094 4.647 4.740 0.001 0.000 0.245 290 N C 0.212 175.814 175.510 0.153 0.000 1.239 290 N CA 0.221 53.301 53.050 0.051 0.000 0.842 290 N CB 0.319 38.821 38.487 0.024 0.000 1.089 290 N HN 0.298 nan 8.380 nan 0.000 0.454 291 E N 2.475 122.756 120.200 0.135 0.000 2.299 291 E HA 0.005 4.355 4.350 0.001 0.000 0.272 291 E C -0.817 175.870 176.600 0.145 0.000 1.043 291 E CA -0.016 56.432 56.400 0.081 0.000 0.895 291 E CB 0.189 29.915 29.700 0.043 0.000 1.011 291 E HN 0.463 nan 8.360 nan 0.000 0.432 292 H N 3.407 122.457 119.070 -0.033 0.000 2.928 292 H HA 0.376 4.933 4.556 0.001 0.000 0.371 292 H C -2.470 172.877 175.328 0.031 0.000 1.186 292 H CA -2.399 53.657 56.048 0.014 0.000 1.134 292 H CB 1.403 31.177 29.762 0.020 0.000 1.824 292 H HN 0.324 nan 8.280 nan 0.000 0.554 293 P HA 0.042 nan 4.420 nan 0.000 0.221 293 P C -0.285 176.958 177.300 -0.096 0.000 1.155 293 P CA 0.571 63.681 63.100 0.018 0.000 0.812 293 P CB 0.432 32.240 31.700 0.180 0.000 0.801 294 F N 0.744 120.730 119.950 0.059 0.000 2.444 294 F HA 0.265 4.793 4.527 0.001 0.000 0.342 294 F C 1.423 177.333 175.800 0.184 0.000 1.121 294 F CA -0.890 57.165 58.000 0.092 0.000 0.997 294 F CB 0.737 39.774 39.000 0.062 0.000 1.130 294 F HN -0.315 nan 8.300 nan 0.000 0.454 295 D N 2.524 123.118 120.400 0.324 0.000 2.106 295 D HA -0.173 4.468 4.640 0.001 0.000 0.191 295 D C 2.299 178.779 176.300 0.300 0.000 0.997 295 D CA 1.790 56.050 54.000 0.433 0.000 0.834 295 D CB -0.502 40.620 40.800 0.537 0.000 0.956 295 D HN 0.811 nan 8.370 nan 0.000 0.448 296 G N 0.281 109.144 108.800 0.104 0.000 2.564 296 G HA2 -0.229 3.732 3.960 0.001 0.000 0.217 296 G HA3 -0.229 3.732 3.960 0.001 0.000 0.217 296 G C 1.507 176.043 174.900 -0.608 0.000 1.120 296 G CA 1.366 46.229 45.100 -0.396 0.000 0.752 296 G HN 0.428 nan 8.290 nan 0.000 0.558 297 S N -1.834 113.715 115.700 -0.251 0.000 2.548 297 S HA 0.029 4.499 4.470 0.001 0.000 0.215 297 S C 1.214 175.702 174.600 -0.187 0.000 0.976 297 S CA 0.596 58.603 58.200 -0.322 0.000 0.908 297 S CB -0.359 62.800 63.200 -0.069 0.000 0.781 297 S HN 0.614 nan 8.310 nan 0.000 0.519 298 W N 0.505 121.861 121.300 0.094 0.000 2.323 298 W HA -0.229 4.432 4.660 0.001 0.000 0.261 298 W C 1.267 177.664 176.519 -0.204 0.000 1.029 298 W CA 0.569 58.021 57.345 0.179 0.000 0.499 298 W CB -2.351 27.318 29.460 0.349 0.000 2.045 298 W HN 1.088 nan 8.180 nan 0.000 1.374 299 G N -2.135 106.377 108.800 -0.481 0.000 2.192 299 G HA2 -0.299 3.662 3.960 0.001 0.000 0.193 299 G HA3 -0.299 3.662 3.960 0.001 0.000 0.193 299 G C 0.183 174.657 174.900 -0.710 0.000 0.999 299 G CA 0.032 44.450 45.100 -1.137 0.000 0.659 299 G HN 0.349 nan 8.290 nan 0.000 0.503 300 Y N 0.951 121.074 120.300 -0.295 0.000 2.462 300 Y HA 0.459 5.009 4.550 0.001 0.000 0.293 300 Y C 1.485 177.183 175.900 -0.338 0.000 1.195 300 Y CA 0.700 58.560 58.100 -0.401 0.000 1.276 300 Y CB 0.635 38.820 38.460 -0.458 0.000 1.082 300 Y HN 0.317 nan 8.280 nan 0.000 0.514 301 Q N 1.496 121.236 119.800 -0.100 0.000 3.429 301 Q HA 0.215 4.555 4.340 0.001 0.000 0.237 301 Q C -2.685 173.328 176.000 0.022 0.000 0.932 301 Q CA -1.925 53.867 55.803 -0.017 0.000 0.731 301 Q CB 1.823 30.553 28.738 -0.014 0.000 1.383 301 Q HN 0.071 nan 8.270 nan 0.000 0.446 302 P HA 0.183 nan 4.420 nan 0.000 0.279 302 P C 0.204 177.523 177.300 0.032 0.000 1.282 302 P CA -0.034 63.093 63.100 0.045 0.000 0.788 302 P CB 1.521 33.229 31.700 0.013 0.000 1.139 303 T N -5.825 108.759 114.554 0.050 0.000 3.147 303 T HA 0.321 4.671 4.350 0.001 0.000 0.275 303 T C 0.631 175.353 174.700 0.036 0.000 0.879 303 T CA 0.057 62.171 62.100 0.025 0.000 0.863 303 T CB -0.483 68.416 68.868 0.052 0.000 1.236 303 T HN 0.585 nan 8.240 nan 0.000 0.582 304 G N 1.586 110.425 108.800 0.065 0.000 3.113 304 G HA2 0.534 4.494 3.960 0.001 0.000 0.301 304 G HA3 0.534 4.494 3.960 0.001 0.000 0.301 304 G C 0.401 175.376 174.900 0.124 0.000 1.606 304 G CA -0.457 44.695 45.100 0.088 0.000 1.060 304 G HN 0.130 nan 8.290 nan 0.000 0.540 305 L N 0.914 122.200 121.223 0.104 0.000 2.201 305 L HA 0.019 4.360 4.340 0.001 0.000 0.212 305 L C 1.579 178.441 176.870 -0.014 0.000 1.105 305 L CA 1.461 56.333 54.840 0.053 0.000 0.775 305 L CB -0.542 41.432 42.059 -0.141 0.000 0.913 305 L HN 0.607 nan 8.230 nan 0.000 0.440 306 Y N -0.526 119.744 120.300 -0.050 0.000 2.457 306 Y HA 0.354 4.904 4.550 0.001 0.000 0.263 306 Y C 1.079 177.043 175.900 0.107 0.000 1.164 306 Y CA -0.187 57.801 58.100 -0.186 0.000 1.274 306 Y CB 0.356 38.588 38.460 -0.380 0.000 1.097 306 Y HN 0.015 nan 8.280 nan 0.000 0.523 307 A N 0.792 123.791 122.820 0.297 0.000 2.304 307 A HA 0.580 4.900 4.320 0.001 0.000 0.314 307 A C -2.797 174.949 177.584 0.271 0.000 1.187 307 A CA -1.899 50.323 52.037 0.309 0.000 0.810 307 A CB 0.504 19.629 19.000 0.209 0.000 1.183 307 A HN -0.114 nan 8.150 nan 0.000 0.487 308 P HA 0.070 nan 4.420 nan 0.000 0.265 308 P C 0.483 177.773 177.300 -0.017 0.000 1.193 308 P CA 0.433 63.489 63.100 -0.073 0.000 0.765 308 P CB 0.531 32.061 31.700 -0.282 0.000 0.823 309 T N 2.725 117.234 114.554 -0.074 0.000 2.923 309 T HA -0.093 4.257 4.350 0.001 0.000 0.304 309 T C 1.395 176.029 174.700 -0.110 0.000 1.044 309 T CA 0.346 62.371 62.100 -0.125 0.000 1.141 309 T CB 0.033 68.744 68.868 -0.261 0.000 1.023 309 T HN 0.248 nan 8.240 nan 0.000 0.533 310 R N 2.505 122.897 120.500 -0.179 0.000 2.299 310 R HA 0.202 4.543 4.340 0.001 0.000 0.197 310 R C 2.403 178.508 176.300 -0.324 0.000 0.971 310 R CA 0.868 56.890 56.100 -0.131 0.000 1.030 310 R CB -0.028 30.223 30.300 -0.082 0.000 0.932 310 R HN 0.656 nan 8.270 nan 0.000 0.477 311 R N -1.072 119.002 120.500 -0.709 0.000 2.159 311 R HA -0.124 4.216 4.340 0.001 0.000 0.237 311 R C 0.605 176.260 176.300 -1.074 0.000 1.131 311 R CA 1.456 56.887 56.100 -1.115 0.000 0.982 311 R CB -0.142 28.886 30.300 -2.119 0.000 0.868 311 R HN 0.266 nan 8.270 nan 0.000 0.453 312 F N -0.654 118.957 119.950 -0.564 0.000 2.654 312 F HA 0.397 4.924 4.527 0.001 0.000 0.303 312 F C 1.138 176.682 175.800 -0.428 0.000 1.099 312 F CA -0.098 57.462 58.000 -0.734 0.000 1.270 312 F CB 1.231 39.315 39.000 -1.526 0.000 1.024 312 F HN 0.122 nan 8.300 nan 0.000 0.548 313 G N 0.638 109.447 108.800 0.016 0.000 2.280 313 G HA2 0.075 4.035 3.960 0.001 0.000 0.277 313 G HA3 0.075 4.035 3.960 0.001 0.000 0.277 313 G C -0.508 174.585 174.900 0.322 0.000 1.288 313 G CA -0.602 44.630 45.100 0.219 0.000 1.075 313 G HN 0.216 nan 8.290 nan 0.000 0.480 314 T N -1.873 112.871 114.554 0.316 0.000 2.874 314 T HA 0.522 4.873 4.350 0.001 0.000 0.281 314 T C 1.712 176.610 174.700 0.331 0.000 0.994 314 T CA 0.814 63.080 62.100 0.276 0.000 1.015 314 T CB 1.476 70.467 68.868 0.206 0.000 1.028 314 T HN 1.483 nan 8.240 nan 0.000 0.523 315 R N 0.503 121.195 120.500 0.320 0.000 2.193 315 R HA -0.045 4.295 4.340 0.001 0.000 0.229 315 R C 1.219 177.772 176.300 0.421 0.000 1.110 315 R CA 1.654 58.016 56.100 0.437 0.000 0.988 315 R CB -0.832 29.754 30.300 0.476 0.000 0.871 315 R HN 0.623 nan 8.270 nan 0.000 0.458 316 D N 0.407 120.968 120.400 0.268 0.000 2.213 316 D HA -0.060 4.581 4.640 0.001 0.000 0.205 316 D C 0.905 177.333 176.300 0.214 0.000 0.961 316 D CA 0.859 54.967 54.000 0.181 0.000 0.853 316 D CB -0.174 40.702 40.800 0.128 0.000 0.967 316 D HN 0.227 nan 8.370 nan 0.000 0.496 317 D N -0.052 120.500 120.400 0.254 0.000 2.117 317 D HA -0.126 4.515 4.640 0.001 0.000 0.198 317 D C 1.754 178.247 176.300 0.321 0.000 0.982 317 D CA 0.384 54.561 54.000 0.295 0.000 0.828 317 D CB -0.274 40.769 40.800 0.404 0.000 0.967 317 D HN 0.151 nan 8.370 nan 0.000 0.464 318 F N 1.915 121.810 119.950 -0.091 0.000 2.113 318 F HA -0.119 4.408 4.527 0.001 0.000 0.297 318 F C 2.302 178.160 175.800 0.095 0.000 1.103 318 F CA 1.072 58.795 58.000 -0.462 0.000 1.248 318 F CB -0.219 38.380 39.000 -0.669 0.000 0.999 318 F HN -0.222 nan 8.300 nan 0.000 0.475 319 R N -0.141 120.417 120.500 0.096 0.000 2.103 319 R HA -0.279 4.062 4.340 0.001 0.000 0.242 319 R C 2.213 178.469 176.300 -0.075 0.000 1.142 319 R CA 2.261 58.330 56.100 -0.052 0.000 0.960 319 R CB -1.852 28.381 30.300 -0.113 0.000 0.858 319 R HN 0.512 nan 8.270 nan 0.000 0.439 320 Y N -0.083 120.185 120.300 -0.053 0.000 2.165 320 Y HA -0.239 4.311 4.550 0.001 0.000 0.286 320 Y C 1.936 177.813 175.900 -0.039 0.000 1.155 320 Y CA 2.190 60.278 58.100 -0.020 0.000 1.164 320 Y CB -0.633 37.867 38.460 0.065 0.000 0.978 320 Y HN 0.189 nan 8.280 nan 0.000 0.513 321 F N 0.230 120.177 119.950 -0.005 0.000 2.095 321 F HA -0.279 4.249 4.527 0.001 0.000 0.298 321 F C 1.951 177.551 175.800 -0.334 0.000 1.104 321 F CA 1.669 59.607 58.000 -0.104 0.000 1.232 321 F CB -0.344 38.666 39.000 0.017 0.000 0.987 321 F HN 0.026 nan 8.300 nan 0.000 0.475 322 I N 0.638 120.875 120.570 -0.554 0.000 2.202 322 I HA -0.258 3.912 4.170 0.001 0.000 0.242 322 I C 2.023 177.683 176.117 -0.761 0.000 1.091 322 I CA 1.407 62.263 61.300 -0.740 0.000 1.368 322 I CB -1.494 36.161 38.000 -0.574 0.000 1.058 322 I HN 0.164 nan 8.210 nan 0.000 0.410 323 D N 1.272 121.375 120.400 -0.495 0.000 2.104 323 D HA -0.154 4.486 4.640 0.001 0.000 0.194 323 D C 2.281 178.329 176.300 -0.419 0.000 0.994 323 D CA 1.725 55.507 54.000 -0.362 0.000 0.830 323 D CB -0.112 40.516 40.800 -0.287 0.000 0.959 323 D HN 0.308 nan 8.370 nan 0.000 0.452 324 A N 0.993 123.477 122.820 -0.561 0.000 1.908 324 A HA -0.099 4.222 4.320 0.001 0.000 0.218 324 A C 2.337 179.675 177.584 -0.410 0.000 1.181 324 A CA 2.491 54.235 52.037 -0.488 0.000 0.627 324 A CB -0.852 17.838 19.000 -0.515 0.000 0.818 324 A HN 0.245 nan 8.150 nan 0.000 0.445 325 A N -0.777 121.693 122.820 -0.584 0.000 1.940 325 A HA -0.222 4.098 4.320 0.001 0.000 0.219 325 A C 1.922 179.331 177.584 -0.292 0.000 1.176 325 A CA 1.859 53.591 52.037 -0.507 0.000 0.631 325 A CB -0.983 17.592 19.000 -0.708 0.000 0.814 325 A HN 0.789 nan 8.150 nan 0.000 0.446 326 H N -1.106 117.803 119.070 -0.269 0.000 2.395 326 H HA 0.123 4.679 4.556 0.001 0.000 0.299 326 H C 2.422 177.649 175.328 -0.168 0.000 1.070 326 H CA 0.572 56.497 56.048 -0.204 0.000 1.356 326 H CB 0.023 29.671 29.762 -0.191 0.000 1.401 326 H HN 0.555 nan 8.280 nan 0.000 0.524 327 A N 0.908 123.692 122.820 -0.061 0.000 2.125 327 A HA -0.008 4.312 4.320 0.001 0.000 0.219 327 A C 2.229 179.773 177.584 -0.068 0.000 1.156 327 A CA 1.232 53.224 52.037 -0.075 0.000 0.671 327 A CB -0.432 18.503 19.000 -0.110 0.000 0.794 327 A HN 0.461 nan 8.150 nan 0.000 0.459 328 A N -1.958 120.812 122.820 -0.084 0.000 2.308 328 A HA 0.450 4.771 4.320 0.001 0.000 0.217 328 A C 1.595 179.150 177.584 -0.048 0.000 1.216 328 A CA 1.004 53.005 52.037 -0.060 0.000 0.864 328 A CB -0.651 18.304 19.000 -0.075 0.000 0.902 328 A HN 1.802 nan 8.150 nan 0.000 0.499 329 G N -0.872 107.897 108.800 -0.051 0.000 2.149 329 G HA2 -0.183 3.778 3.960 0.001 0.000 0.235 329 G HA3 -0.183 3.778 3.960 0.001 0.000 0.235 329 G C -0.156 174.702 174.900 -0.071 0.000 1.018 329 G CA 0.325 45.392 45.100 -0.055 0.000 0.728 329 G HN 0.455 nan 8.290 nan 0.000 0.508 330 L N 0.074 121.255 121.223 -0.071 0.000 2.329 330 L HA 0.467 4.807 4.340 0.001 0.000 0.279 330 L C 0.486 177.304 176.870 -0.087 0.000 1.014 330 L CA -0.910 53.866 54.840 -0.106 0.000 0.814 330 L CB 1.590 43.586 42.059 -0.104 0.000 1.257 330 L HN 0.144 nan 8.230 nan 0.000 0.424 331 N N 0.786 119.336 118.700 -0.250 0.000 2.509 331 N HA 0.460 5.200 4.740 0.001 0.000 0.287 331 N C -1.174 174.283 175.510 -0.088 0.000 1.121 331 N CA -0.586 52.348 53.050 -0.193 0.000 0.977 331 N CB 2.245 40.438 38.487 -0.489 0.000 1.167 331 N HN 0.164 nan 8.380 nan 0.000 0.476 332 V N 3.346 123.265 119.914 0.008 0.000 2.417 332 V HA 0.414 4.535 4.120 0.001 0.000 0.291 332 V C 0.021 176.148 176.094 0.054 0.000 1.024 332 V CA -0.598 61.700 62.300 -0.004 0.000 0.861 332 V CB 1.367 33.125 31.823 -0.108 0.000 0.985 332 V HN 0.520 nan 8.190 nan 0.000 0.436 333 I N 5.702 126.320 120.570 0.080 0.000 2.362 333 I HA 0.379 4.549 4.170 0.001 0.000 0.289 333 I C -0.796 175.339 176.117 0.031 0.000 0.994 333 I CA -0.666 60.676 61.300 0.071 0.000 1.158 333 I CB 1.697 39.760 38.000 0.105 0.000 1.315 333 I HN 0.371 nan 8.210 nan 0.000 0.451 334 L N 6.421 127.631 121.223 -0.022 0.000 2.272 334 L HA 0.446 4.786 4.340 0.001 0.000 0.289 334 L C -0.456 176.387 176.870 -0.044 0.000 1.032 334 L CA -0.151 54.634 54.840 -0.092 0.000 0.810 334 L CB 0.939 42.841 42.059 -0.262 0.000 1.205 334 L HN 0.379 nan 8.230 nan 0.000 0.422 335 D N 4.382 124.760 120.400 -0.036 0.000 2.412 335 D HA 0.052 4.692 4.640 0.001 0.000 0.257 335 D C -1.193 175.145 176.300 0.063 0.000 1.217 335 D CA 0.749 54.765 54.000 0.026 0.000 0.897 335 D CB 0.119 40.904 40.800 -0.025 0.000 1.132 335 D HN 0.458 nan 8.370 nan 0.000 0.493 336 W N 4.226 125.502 121.300 -0.040 0.000 2.429 336 W HA 0.394 5.054 4.660 0.001 0.000 0.314 336 W C -0.426 176.163 176.519 0.117 0.000 1.062 336 W CA -1.273 56.078 57.345 0.010 0.000 1.211 336 W CB 1.059 30.562 29.460 0.072 0.000 1.305 336 W HN 0.151 nan 8.180 nan 0.000 0.476 337 V N 6.417 126.230 119.914 -0.168 0.000 2.615 337 V HA 0.353 4.473 4.120 0.001 0.000 0.308 337 V C -1.650 174.327 176.094 -0.195 0.000 1.257 337 V CA -1.397 60.855 62.300 -0.079 0.000 1.454 337 V CB 0.266 32.092 31.823 0.005 0.000 1.537 337 V HN 0.540 nan 8.190 nan 0.000 0.566 338 P HA 0.094 nan 4.420 nan 0.000 0.242 338 P C 1.162 178.557 177.300 0.159 0.000 1.197 338 P CA 1.201 64.052 63.100 -0.415 0.000 0.765 338 P CB 0.278 31.418 31.700 -0.933 0.000 0.936 339 G N -1.522 107.381 108.800 0.171 0.000 3.126 339 G HA2 0.029 3.990 3.960 0.001 0.000 0.224 339 G HA3 0.029 3.990 3.960 0.001 0.000 0.224 339 G C -0.335 174.552 174.900 -0.022 0.000 1.142 339 G CA -0.013 45.188 45.100 0.167 0.000 0.759 339 G HN 0.321 nan 8.290 nan 0.000 0.550 340 H N -0.412 118.709 119.070 0.084 0.000 2.685 340 H HA 0.398 4.954 4.556 0.001 0.000 0.307 340 H C -1.275 173.992 175.328 -0.102 0.000 1.017 340 H CA -0.979 55.077 56.048 0.014 0.000 1.237 340 H CB 1.184 30.967 29.762 0.034 0.000 1.409 340 H HN 0.088 nan 8.280 nan 0.000 0.488 341 F N 4.764 124.510 119.950 -0.340 0.000 2.427 341 F HA 0.354 4.882 4.527 0.001 0.000 0.352 341 F C -2.167 173.471 175.800 -0.270 0.000 1.100 341 F CA -2.685 54.925 58.000 -0.650 0.000 1.191 341 F CB 0.823 39.342 39.000 -0.802 0.000 1.128 341 F HN 0.359 nan 8.300 nan 0.000 0.533 342 P HA -0.025 nan 4.420 nan 0.000 0.258 342 P C 0.029 177.076 177.300 -0.421 0.000 1.172 342 P CA 0.660 63.392 63.100 -0.614 0.000 0.762 342 P CB 0.367 31.686 31.700 -0.634 0.000 0.764 343 T N -1.660 112.807 114.554 -0.145 0.000 3.145 343 T HA 0.213 4.564 4.350 0.001 0.000 0.281 343 T C 0.072 174.750 174.700 -0.037 0.000 1.003 343 T CA -0.296 61.774 62.100 -0.050 0.000 0.901 343 T CB -0.001 68.854 68.868 -0.021 0.000 1.112 343 T HN 0.117 nan 8.240 nan 0.000 0.535 344 D N 1.535 121.930 120.400 -0.008 0.000 2.419 344 D HA 0.332 4.973 4.640 0.001 0.000 0.234 344 D C -0.379 176.011 176.300 0.150 0.000 1.014 344 D CA -0.340 53.711 54.000 0.084 0.000 0.919 344 D CB 1.618 42.498 40.800 0.133 0.000 1.366 344 D HN 0.089 nan 8.370 nan 0.000 0.490 345 D N -0.056 120.489 120.400 0.241 0.000 2.792 345 D HA -0.250 4.391 4.640 0.001 0.000 0.231 345 D C -0.275 176.255 176.300 0.384 0.000 1.160 345 D CA 0.343 54.501 54.000 0.263 0.000 0.697 345 D CB -1.283 39.603 40.800 0.144 0.000 1.070 345 D HN 0.325 nan 8.370 nan 0.000 0.426 346 F N -2.811 117.162 119.950 0.038 0.000 2.970 346 F HA -0.316 4.211 4.527 0.000 0.000 0.251 346 F C 1.890 177.726 175.800 0.060 0.000 0.993 346 F CA 0.426 58.458 58.000 0.053 0.000 0.869 346 F CB -1.859 37.167 39.000 0.044 0.000 0.762 346 F HN 0.306 nan 8.300 nan 0.000 0.817 347 A N -0.851 122.064 122.820 0.159 0.000 1.930 347 A HA 0.132 4.452 4.320 0.001 0.000 0.217 347 A C 1.975 179.606 177.584 0.078 0.000 1.175 347 A CA 1.944 54.035 52.037 0.090 0.000 0.627 347 A CB -0.064 18.936 19.000 0.001 0.000 0.815 347 A HN 0.476 nan 8.150 nan 0.000 0.443 348 L N -3.050 118.180 121.223 0.012 0.000 3.227 348 L HA 0.489 4.829 4.340 0.001 0.000 0.287 348 L C 0.976 178.071 176.870 0.375 0.000 1.161 348 L CA 0.756 55.624 54.840 0.047 0.000 1.048 348 L CB 0.040 41.854 42.059 -0.407 0.000 1.541 348 L HN 0.243 nan 8.230 nan 0.000 0.590 349 A N 0.382 123.400 122.820 0.329 0.000 2.498 349 A HA 0.223 4.543 4.320 0.001 0.000 0.239 349 A C 0.564 178.296 177.584 0.246 0.000 1.068 349 A CA 0.269 52.496 52.037 0.316 0.000 0.766 349 A CB -0.342 18.712 19.000 0.091 0.000 1.003 349 A HN 0.442 nan 8.150 nan 0.000 0.497 350 E N -0.081 120.233 120.200 0.191 0.000 2.122 350 E HA -0.253 4.098 4.350 0.001 0.000 0.198 350 E C -0.286 176.432 176.600 0.197 0.000 1.352 350 E CA 0.400 56.889 56.400 0.149 0.000 0.705 350 E CB -1.418 28.330 29.700 0.081 0.000 1.084 350 E HN 0.556 nan 8.360 nan 0.000 0.337 351 F N 1.926 121.946 119.950 0.116 0.000 2.579 351 F HA -0.087 4.440 4.527 0.001 0.000 0.311 351 F C 1.596 177.397 175.800 0.002 0.000 1.272 351 F CA 1.120 59.178 58.000 0.096 0.000 1.335 351 F CB 0.461 39.570 39.000 0.182 0.000 1.191 351 F HN 0.366 nan 8.300 nan 0.000 0.575 352 D N 0.215 120.507 120.400 -0.180 0.000 2.901 352 D HA -0.244 4.397 4.640 0.001 0.000 0.226 352 D C 0.895 177.154 176.300 -0.068 0.000 1.175 352 D CA 1.499 55.420 54.000 -0.131 0.000 0.720 352 D CB -1.577 39.208 40.800 -0.025 0.000 1.069 352 D HN 1.307 nan 8.370 nan 0.000 0.418 353 G N -2.023 106.746 108.800 -0.051 0.000 2.336 353 G HA2 -0.233 3.727 3.960 0.001 0.000 0.233 353 G HA3 -0.233 3.727 3.960 0.001 0.000 0.233 353 G C 0.461 175.368 174.900 0.010 0.000 1.053 353 G CA 1.088 46.178 45.100 -0.017 0.000 0.625 353 G HN 1.480 nan 8.290 nan 0.000 0.511 354 T N -1.921 112.641 114.554 0.014 0.000 2.940 354 T HA 0.562 4.913 4.350 0.001 0.000 0.288 354 T C 0.162 174.882 174.700 0.034 0.000 1.045 354 T CA -0.055 62.054 62.100 0.016 0.000 1.018 354 T CB 1.308 70.175 68.868 -0.003 0.000 1.151 354 T HN 0.247 nan 8.240 nan 0.000 0.529 355 N N 1.345 120.058 118.700 0.022 0.000 2.874 355 N HA 0.049 4.789 4.740 0.001 0.000 0.316 355 N C 1.236 176.752 175.510 0.009 0.000 1.205 355 N CA -0.281 52.781 53.050 0.020 0.000 1.180 355 N CB -0.159 38.325 38.487 -0.005 0.000 1.450 355 N HN 0.421 nan 8.380 nan 0.000 0.528 356 L N 0.256 121.501 121.223 0.037 0.000 1.989 356 L HA -0.235 4.106 4.340 0.001 0.000 0.211 356 L C 1.123 177.939 176.870 -0.090 0.000 1.071 356 L CA 1.788 56.582 54.840 -0.077 0.000 0.749 356 L CB -0.109 41.890 42.059 -0.100 0.000 0.890 356 L HN 0.519 nan 8.230 nan 0.000 0.431 357 Y N -1.000 119.360 120.300 0.100 0.000 2.509 357 Y HA 0.039 4.590 4.550 0.001 0.000 0.270 357 Y C 1.302 177.191 175.900 -0.017 0.000 1.103 357 Y CA -0.374 57.810 58.100 0.140 0.000 1.278 357 Y CB 0.385 39.033 38.460 0.314 0.000 1.087 357 Y HN 0.247 nan 8.280 nan 0.000 0.542 358 E N -0.547 119.603 120.200 -0.083 0.000 2.264 358 E HA 0.193 4.544 4.350 0.001 0.000 0.260 358 E C -0.913 175.523 176.600 -0.273 0.000 0.961 358 E CA -0.606 55.548 56.400 -0.410 0.000 0.834 358 E CB 0.751 29.941 29.700 -0.851 0.000 1.230 358 E HN 0.086 nan 8.360 nan 0.000 0.412 359 H N 0.091 119.056 119.070 -0.175 0.000 2.547 359 H HA 0.327 4.884 4.556 0.001 0.000 0.362 359 H C -0.064 175.211 175.328 -0.089 0.000 1.181 359 H CA -0.173 55.820 56.048 -0.092 0.000 1.376 359 H CB 1.292 31.017 29.762 -0.061 0.000 1.488 359 H HN 0.421 nan 8.280 nan 0.000 0.583 373 L N 4.401 125.579 121.223 -0.074 0.000 2.371 373 L HA 0.720 5.060 4.340 0.001 0.000 0.272 373 L C -0.350 176.367 176.870 -0.255 0.000 1.124 373 L CA -0.945 53.783 54.840 -0.188 0.000 0.816 373 L CB 0.478 42.436 42.059 -0.168 0.000 1.129 373 L HN 0.503 nan 8.230 nan 0.000 0.448 374 I N -0.692 119.654 120.570 -0.373 0.000 2.802 374 I HA 0.399 4.569 4.170 0.001 0.000 0.298 374 I C -0.598 175.267 176.117 -0.421 0.000 1.176 374 I CA -0.877 60.248 61.300 -0.291 0.000 1.025 374 I CB 1.204 39.186 38.000 -0.030 0.000 1.243 374 I HN 0.536 nan 8.210 nan 0.000 0.424 375 Y N 2.681 122.760 120.300 -0.369 0.000 2.641 375 Y HA -0.066 4.484 4.550 0.001 0.000 0.351 375 Y C 1.238 176.742 175.900 -0.660 0.000 1.269 375 Y CA 0.436 58.191 58.100 -0.575 0.000 1.485 375 Y CB 0.426 38.309 38.460 -0.963 0.000 1.364 375 Y HN 0.704 nan 8.280 nan 0.000 0.651 376 N N 1.654 120.078 118.700 -0.460 0.000 3.044 376 N HA 0.105 4.845 4.740 0.001 0.000 0.254 376 N C -0.270 175.040 175.510 -0.333 0.000 1.253 376 N CA -0.305 52.339 53.050 -0.677 0.000 0.944 376 N CB 0.046 38.098 38.487 -0.724 0.000 1.217 376 N HN 0.566 nan 8.380 nan 0.000 0.498 377 Y N 0.854 121.099 120.300 -0.092 0.000 2.384 377 Y HA -0.073 4.478 4.550 0.001 0.000 0.289 377 Y C 2.377 178.279 175.900 0.004 0.000 1.152 377 Y CA 1.229 59.256 58.100 -0.121 0.000 1.258 377 Y CB -0.190 38.193 38.460 -0.128 0.000 0.979 377 Y HN 0.515 nan 8.280 nan 0.000 0.549 378 G N 0.185 109.098 108.800 0.188 0.000 2.402 378 G HA2 -0.243 3.717 3.960 0.001 0.000 0.216 378 G HA3 -0.243 3.717 3.960 0.001 0.000 0.216 378 G C 0.788 175.735 174.900 0.079 0.000 1.162 378 G CA -0.094 45.099 45.100 0.155 0.000 0.777 378 G HN 0.226 nan 8.290 nan 0.000 0.539 379 R N 0.801 121.314 120.500 0.021 0.000 2.483 379 R HA 0.147 4.487 4.340 0.001 0.000 0.329 379 R C 1.801 178.084 176.300 -0.029 0.000 0.961 379 R CA -0.071 56.029 56.100 0.000 0.000 1.041 379 R CB 0.275 30.563 30.300 -0.020 0.000 0.930 379 R HN 0.239 nan 8.270 nan 0.000 0.413 380 R N 3.801 124.276 120.500 -0.043 0.000 2.222 380 R HA -0.300 4.041 4.340 0.001 0.000 0.235 380 R C 0.991 177.202 176.300 -0.148 0.000 1.112 380 R CA 2.804 58.847 56.100 -0.095 0.000 0.897 380 R CB -0.358 29.852 30.300 -0.151 0.000 0.882 380 R HN 0.794 nan 8.270 nan 0.000 0.429 381 E N -0.671 119.323 120.200 -0.342 0.000 2.169 381 E HA -0.196 4.155 4.350 0.001 0.000 0.202 381 E C 1.956 178.431 176.600 -0.209 0.000 1.016 381 E CA 1.748 57.827 56.400 -0.535 0.000 0.817 381 E CB -0.320 28.393 29.700 -1.645 0.000 0.736 381 E HN 0.253 nan 8.360 nan 0.000 0.462 382 V N 0.209 120.039 119.914 -0.140 0.000 2.343 382 V HA -0.255 3.866 4.120 0.001 0.000 0.247 382 V C 2.320 178.469 176.094 0.092 0.000 1.051 382 V CA 1.902 64.236 62.300 0.057 0.000 1.036 382 V CB -0.578 31.231 31.823 -0.023 0.000 0.654 382 V HN 0.336 nan 8.190 nan 0.000 0.451 383 S N -0.046 115.699 115.700 0.075 0.000 2.406 383 S HA -0.173 4.297 4.470 0.001 0.000 0.228 383 S C 1.766 176.562 174.600 0.326 0.000 1.020 383 S CA 1.805 60.140 58.200 0.224 0.000 0.965 383 S CB -0.599 62.765 63.200 0.273 0.000 0.798 383 S HN 0.742 nan 8.310 nan 0.000 0.488 384 N N -0.441 118.399 118.700 0.233 0.000 2.244 384 N HA -0.061 4.680 4.740 0.001 0.000 0.183 384 N C 1.459 177.229 175.510 0.433 0.000 1.016 384 N CA 1.273 54.488 53.050 0.274 0.000 0.866 384 N CB -0.244 38.350 38.487 0.179 0.000 0.980 384 N HN 0.436 nan 8.380 nan 0.000 0.430 385 F N 2.066 122.183 119.950 0.280 0.000 2.113 385 F HA -0.042 4.486 4.527 0.001 0.000 0.297 385 F C 1.801 177.816 175.800 0.358 0.000 1.103 385 F CA 1.168 59.389 58.000 0.368 0.000 1.248 385 F CB -0.311 38.856 39.000 0.277 0.000 0.999 385 F HN -0.086 nan 8.300 nan 0.000 0.475 386 L N -0.794 120.590 121.223 0.268 0.000 2.007 386 L HA -0.157 4.184 4.340 0.001 0.000 0.205 386 L C 2.406 179.654 176.870 0.631 0.000 1.073 386 L CA 1.117 56.155 54.840 0.330 0.000 0.744 386 L CB -1.214 41.021 42.059 0.294 0.000 0.898 386 L HN -0.065 nan 8.230 nan 0.000 0.435 387 V N 0.793 121.081 119.914 0.624 0.000 2.324 387 V HA -0.250 3.870 4.120 0.001 0.000 0.250 387 V C 2.654 178.940 176.094 0.321 0.000 1.060 387 V CA 2.101 64.650 62.300 0.415 0.000 1.042 387 V CB -1.469 30.537 31.823 0.304 0.000 0.650 387 V HN 0.614 nan 8.190 nan 0.000 0.450 388 G N -0.417 108.621 108.800 0.396 0.000 2.422 388 G HA2 -0.326 3.634 3.960 0.001 0.000 0.218 388 G HA3 -0.326 3.634 3.960 0.001 0.000 0.218 388 G C 1.476 176.682 174.900 0.511 0.000 1.146 388 G CA 0.932 46.340 45.100 0.514 0.000 0.769 388 G HN 0.582 nan 8.290 nan 0.000 0.547 389 N N 0.865 119.726 118.700 0.269 0.000 2.289 389 N HA -0.041 4.700 4.740 0.001 0.000 0.184 389 N C 2.345 177.762 175.510 -0.155 0.000 1.016 389 N CA 0.896 53.808 53.050 -0.230 0.000 0.872 389 N CB -0.103 38.109 38.487 -0.459 0.000 0.973 389 N HN 0.271 nan 8.380 nan 0.000 0.433 390 A N 0.296 123.026 122.820 -0.150 0.000 2.067 390 A HA 0.033 4.354 4.320 0.001 0.000 0.217 390 A C 1.886 179.367 177.584 -0.171 0.000 1.156 390 A CA 0.379 52.109 52.037 -0.512 0.000 0.683 390 A CB -0.107 18.340 19.000 -0.921 0.000 0.808 390 A HN 0.244 nan 8.150 nan 0.000 0.455 391 L N -1.979 119.257 121.223 0.022 0.000 2.209 391 L HA 0.050 4.390 4.340 0.001 0.000 0.207 391 L C 2.173 179.101 176.870 0.097 0.000 1.094 391 L CA 1.331 56.244 54.840 0.122 0.000 0.790 391 L CB -0.946 41.282 42.059 0.281 0.000 0.932 391 L HN 0.587 nan 8.230 nan 0.000 0.447 392 Y N -0.952 119.201 120.300 -0.244 0.000 2.070 392 Y HA -0.301 4.250 4.550 0.001 0.000 0.280 392 Y C 2.225 177.995 175.900 -0.216 0.000 1.148 392 Y CA 1.715 59.426 58.100 -0.649 0.000 1.125 392 Y CB -0.910 36.973 38.460 -0.962 0.000 0.975 392 Y HN 0.163 nan 8.280 nan 0.000 0.492 393 W N 0.418 121.571 121.300 -0.245 0.000 2.318 393 W HA -0.258 4.402 4.660 0.001 0.000 0.313 393 W C 2.419 178.871 176.519 -0.111 0.000 1.221 393 W CA 1.380 58.571 57.345 -0.256 0.000 1.266 393 W CB -0.411 28.904 29.460 -0.241 0.000 1.150 393 W HN 0.095 nan 8.180 nan 0.000 0.496 394 I N -0.238 120.409 120.570 0.128 0.000 2.252 394 I HA -0.230 3.941 4.170 0.001 0.000 0.245 394 I C 2.073 178.216 176.117 0.043 0.000 1.102 394 I CA 1.454 62.791 61.300 0.062 0.000 1.385 394 I CB -0.484 37.519 38.000 0.004 0.000 1.064 394 I HN 0.036 nan 8.210 nan 0.000 0.414 395 E N 0.088 120.305 120.200 0.028 0.000 2.190 395 E HA -0.003 4.347 4.350 0.001 0.000 0.191 395 E C 2.073 178.653 176.600 -0.033 0.000 0.978 395 E CA 0.280 56.690 56.400 0.016 0.000 0.839 395 E CB 0.220 29.962 29.700 0.069 0.000 0.787 395 E HN 0.279 nan 8.360 nan 0.000 0.473 396 R N -0.492 119.952 120.500 -0.092 0.000 2.246 396 R HA 0.100 4.441 4.340 0.001 0.000 0.199 396 R C 0.979 177.027 176.300 -0.420 0.000 0.984 396 R CA 0.606 56.558 56.100 -0.246 0.000 1.015 396 R CB 0.172 30.249 30.300 -0.372 0.000 0.930 396 R HN 0.202 nan 8.270 nan 0.000 0.475 397 F N -1.376 118.493 119.950 -0.135 0.000 2.831 397 F HA 0.261 4.788 4.527 0.001 0.000 0.334 397 F C 1.288 177.050 175.800 -0.064 0.000 1.071 397 F CA 0.425 58.378 58.000 -0.078 0.000 1.172 397 F CB 0.908 39.942 39.000 0.056 0.000 1.054 397 F HN 0.153 nan 8.300 nan 0.000 0.572 398 G N 1.742 110.611 108.800 0.115 0.000 2.143 398 G HA2 -0.298 3.662 3.960 0.001 0.000 0.249 398 G HA3 -0.298 3.662 3.960 0.001 0.000 0.249 398 G C 0.340 175.337 174.900 0.161 0.000 0.981 398 G CA -0.109 45.061 45.100 0.117 0.000 0.665 398 G HN 0.259 nan 8.290 nan 0.000 0.528 399 I N 1.030 121.674 120.570 0.123 0.000 2.880 399 I HA 0.024 4.194 4.170 0.001 0.000 0.296 399 I C 1.114 177.254 176.117 0.038 0.000 1.220 399 I CA 0.681 62.023 61.300 0.070 0.000 1.435 399 I CB 0.416 38.438 38.000 0.036 0.000 1.339 399 I HN 0.138 nan 8.210 nan 0.000 0.583 400 D N 5.143 125.564 120.400 0.035 0.000 2.367 400 D HA 0.288 4.928 4.640 0.001 0.000 0.207 400 D C 0.211 176.483 176.300 -0.047 0.000 1.034 400 D CA 0.360 54.352 54.000 -0.013 0.000 0.861 400 D CB 0.833 41.634 40.800 0.002 0.000 0.943 400 D HN 0.590 nan 8.370 nan 0.000 0.515 401 A N 0.691 123.493 122.820 -0.029 0.000 2.594 401 A HA 0.564 4.885 4.320 0.001 0.000 0.296 401 A C -1.782 175.790 177.584 -0.021 0.000 1.056 401 A CA -0.646 51.362 52.037 -0.047 0.000 0.693 401 A CB 0.891 19.884 19.000 -0.010 0.000 1.278 401 A HN 0.045 nan 8.150 nan 0.000 0.408 402 L N 1.477 122.697 121.223 -0.004 0.000 2.346 402 L HA 0.738 5.078 4.340 0.001 0.000 0.274 402 L C 0.271 177.245 176.870 0.174 0.000 1.007 402 L CA -0.662 54.210 54.840 0.054 0.000 0.818 402 L CB 2.021 44.058 42.059 -0.038 0.000 1.284 402 L HN 0.792 nan 8.230 nan 0.000 0.424 403 R N 2.290 122.905 120.500 0.193 0.000 2.439 403 R HA 0.599 4.940 4.340 0.001 0.000 0.310 403 R C -1.592 174.807 176.300 0.165 0.000 0.955 403 R CA -0.541 55.644 56.100 0.142 0.000 0.853 403 R CB 1.917 32.245 30.300 0.046 0.000 1.171 403 R HN 0.443 nan 8.270 nan 0.000 0.449 404 V N 5.239 125.239 119.914 0.143 0.000 2.465 404 V HA 0.161 4.282 4.120 0.001 0.000 0.279 404 V C 0.252 176.300 176.094 -0.077 0.000 1.045 404 V CA -0.532 61.846 62.300 0.130 0.000 0.938 404 V CB 1.344 33.322 31.823 0.259 0.000 0.986 404 V HN 0.797 nan 8.190 nan 0.000 0.467 405 D N 3.905 124.307 120.400 0.003 0.000 2.228 405 D HA 0.502 5.143 4.640 0.001 0.000 0.247 405 D C 0.296 176.602 176.300 0.010 0.000 0.995 405 D CA -0.026 53.932 54.000 -0.071 0.000 0.903 405 D CB 2.010 42.792 40.800 -0.030 0.000 1.205 405 D HN 1.033 nan 8.370 nan 0.000 0.459 406 A N 1.548 124.341 122.820 -0.044 0.000 2.610 406 A HA -0.146 4.175 4.320 0.001 0.000 0.299 406 A C 1.148 178.719 177.584 -0.022 0.000 1.487 406 A CA 0.636 52.664 52.037 -0.015 0.000 0.743 406 A CB -2.138 16.866 19.000 0.006 0.000 1.070 406 A HN 0.495 nan 8.150 nan 0.000 0.439 407 V N -0.698 119.189 119.914 -0.045 0.000 2.759 407 V HA -0.181 3.939 4.120 0.001 0.000 0.256 407 V C 2.807 178.870 176.094 -0.052 0.000 1.080 407 V CA 2.538 64.809 62.300 -0.049 0.000 1.101 407 V CB -0.901 30.866 31.823 -0.093 0.000 0.698 407 V HN 1.189 nan 8.190 nan 0.000 0.477 408 A N 0.939 123.764 122.820 0.008 0.000 1.858 408 A HA -0.223 4.097 4.320 0.001 0.000 0.216 408 A C 2.547 180.199 177.584 0.114 0.000 1.190 408 A CA 2.215 54.316 52.037 0.106 0.000 0.617 408 A CB -0.917 18.183 19.000 0.166 0.000 0.827 408 A HN 0.684 nan 8.150 nan 0.000 0.443 409 S N -0.876 114.860 115.700 0.059 0.000 2.500 409 S HA -0.105 4.365 4.470 0.001 0.000 0.239 409 S C 1.820 176.429 174.600 0.015 0.000 0.989 409 S CA 1.642 59.865 58.200 0.038 0.000 0.951 409 S CB -0.504 62.682 63.200 -0.024 0.000 0.759 409 S HN 0.519 nan 8.310 nan 0.000 0.523 410 M N 0.944 120.533 119.600 -0.018 0.000 2.429 410 M HA 0.282 4.763 4.480 0.001 0.000 0.265 410 M C 2.108 178.345 176.300 -0.105 0.000 1.120 410 M CA 0.962 56.237 55.300 -0.042 0.000 1.173 410 M CB -0.322 32.240 32.600 -0.064 0.000 1.343 410 M HN 0.486 nan 8.290 nan 0.000 0.464 411 I N -2.661 117.797 120.570 -0.187 0.000 3.564 411 I HA 0.050 4.221 4.170 0.001 0.000 0.294 411 I C 0.196 176.041 176.117 -0.453 0.000 1.289 411 I CA 0.432 61.504 61.300 -0.380 0.000 1.325 411 I CB -0.245 37.372 38.000 -0.638 0.000 1.039 411 I HN 0.084 nan 8.210 nan 0.000 0.474 412 Y N 0.518 120.821 120.300 0.006 0.000 3.175 412 Y HA 0.621 5.172 4.550 0.001 0.000 0.294 412 Y C 0.185 176.095 175.900 0.016 0.000 1.750 412 Y CA -1.238 56.877 58.100 0.024 0.000 1.054 412 Y CB 0.601 39.082 38.460 0.035 0.000 1.465 412 Y HN -0.114 nan 8.280 nan 0.000 0.535 429 G N 0.853 109.695 108.800 0.069 0.000 3.548 429 G HA2 -0.367 3.594 3.960 0.001 0.000 0.224 429 G HA3 -0.367 3.594 3.960 0.001 0.000 0.224 429 G C 1.333 176.282 174.900 0.082 0.000 1.351 429 G CA 1.258 46.397 45.100 0.065 0.000 0.905 429 G HN 0.637 nan 8.290 nan 0.000 0.561 430 R N 0.807 121.391 120.500 0.140 0.000 2.576 430 R HA 0.183 4.524 4.340 0.001 0.000 0.237 430 R C 0.170 176.645 176.300 0.292 0.000 0.917 430 R CA 0.392 56.607 56.100 0.191 0.000 1.002 430 R CB 0.379 30.784 30.300 0.175 0.000 1.428 430 R HN 0.617 nan 8.270 nan 0.000 0.603 431 E N 2.648 123.001 120.200 0.255 0.000 2.328 431 E HA -0.020 4.330 4.350 0.001 0.000 0.265 431 E C -0.010 176.605 176.600 0.026 0.000 1.057 431 E CA -0.082 56.370 56.400 0.086 0.000 0.916 431 E CB 0.272 30.008 29.700 0.060 0.000 0.993 431 E HN -0.072 nan 8.360 nan 0.000 0.446 432 N N 4.914 123.600 118.700 -0.023 0.000 2.971 432 N HA -0.037 4.704 4.740 0.001 0.000 0.294 432 N C 0.478 175.973 175.510 -0.024 0.000 1.210 432 N CA 0.070 53.117 53.050 -0.005 0.000 1.157 432 N CB -0.137 38.354 38.487 0.006 0.000 1.450 432 N HN 0.537 nan 8.380 nan 0.000 0.527 433 L N -0.079 121.145 121.223 0.002 0.000 2.357 433 L HA -0.203 4.138 4.340 0.001 0.000 0.220 433 L C 2.077 178.963 176.870 0.027 0.000 1.123 433 L CA 1.138 55.985 54.840 0.012 0.000 0.782 433 L CB -0.293 41.785 42.059 0.031 0.000 0.910 433 L HN 0.570 nan 8.230 nan 0.000 0.442 434 E N 0.327 120.559 120.200 0.053 0.000 2.033 434 E HA -0.163 4.188 4.350 0.001 0.000 0.189 434 E C 2.337 178.973 176.600 0.061 0.000 0.979 434 E CA 0.957 57.425 56.400 0.113 0.000 0.802 434 E CB 0.028 29.858 29.700 0.217 0.000 0.763 434 E HN 0.463 nan 8.360 nan 0.000 0.449 435 A N 1.161 123.926 122.820 -0.090 0.000 1.898 435 A HA -0.143 4.178 4.320 0.001 0.000 0.216 435 A C 2.122 179.594 177.584 -0.187 0.000 1.181 435 A CA 1.042 52.818 52.037 -0.436 0.000 0.620 435 A CB -0.643 18.026 19.000 -0.552 0.000 0.819 435 A HN 0.284 nan 8.150 nan 0.000 0.442 436 I N -0.671 119.811 120.570 -0.148 0.000 2.335 436 I HA -0.235 3.936 4.170 0.001 0.000 0.251 436 I C 2.445 178.522 176.117 -0.066 0.000 1.129 436 I CA 1.669 62.884 61.300 -0.142 0.000 1.402 436 I CB -0.190 37.733 38.000 -0.127 0.000 1.069 436 I HN 0.319 nan 8.210 nan 0.000 0.424 437 E N 0.591 120.787 120.200 -0.006 0.000 2.170 437 E HA -0.166 4.184 4.350 0.001 0.000 0.191 437 E C 1.830 178.462 176.600 0.054 0.000 0.981 437 E CA 0.724 57.140 56.400 0.026 0.000 0.830 437 E CB -0.197 29.538 29.700 0.059 0.000 0.775 437 E HN 0.422 nan 8.360 nan 0.000 0.470 438 F N 0.606 120.519 119.950 -0.061 0.000 2.113 438 F HA -0.105 4.423 4.527 0.001 0.000 0.297 438 F C 1.641 177.430 175.800 -0.019 0.000 1.103 438 F CA 1.368 59.362 58.000 -0.011 0.000 1.248 438 F CB -0.385 38.597 39.000 -0.029 0.000 0.999 438 F HN 0.001 nan 8.300 nan 0.000 0.475 439 L N 0.211 121.268 121.223 -0.276 0.000 2.012 439 L HA -0.234 4.106 4.340 0.001 0.000 0.210 439 L C 2.732 179.375 176.870 -0.378 0.000 1.073 439 L CA 1.695 56.305 54.840 -0.383 0.000 0.748 439 L CB -0.734 41.226 42.059 -0.165 0.000 0.891 439 L HN 0.091 nan 8.230 nan 0.000 0.431 440 R N -0.071 120.281 120.500 -0.247 0.000 2.083 440 R HA -0.185 4.155 4.340 0.001 0.000 0.237 440 R C 2.090 178.276 176.300 -0.191 0.000 1.137 440 R CA 1.961 57.938 56.100 -0.204 0.000 0.951 440 R CB -0.460 29.772 30.300 -0.114 0.000 0.851 440 R HN 0.388 nan 8.270 nan 0.000 0.434 441 N N -0.581 118.018 118.700 -0.167 0.000 2.142 441 N HA -0.096 4.644 4.740 0.001 0.000 0.186 441 N C 1.628 177.042 175.510 -0.159 0.000 1.023 441 N CA 1.675 54.651 53.050 -0.122 0.000 0.852 441 N CB -0.333 38.122 38.487 -0.053 0.000 0.998 441 N HN 0.106 nan 8.380 nan 0.000 0.424 442 T N 1.051 115.425 114.554 -0.301 0.000 2.684 442 T HA -0.101 4.249 4.350 0.001 0.000 0.267 442 T C 1.466 176.076 174.700 -0.150 0.000 1.036 442 T CA 1.149 63.091 62.100 -0.264 0.000 1.148 442 T CB -0.319 68.288 68.868 -0.436 0.000 0.863 442 T HN 0.288 nan 8.240 nan 0.000 0.436 443 N N 0.639 119.219 118.700 -0.199 0.000 2.244 443 N HA -0.040 4.700 4.740 0.001 0.000 0.183 443 N C 1.999 177.467 175.510 -0.070 0.000 1.016 443 N CA 0.684 53.665 53.050 -0.114 0.000 0.866 443 N CB -0.245 38.080 38.487 -0.270 0.000 0.980 443 N HN 0.373 nan 8.380 nan 0.000 0.430 444 R N 0.944 121.380 120.500 -0.105 0.000 2.066 444 R HA 0.038 4.379 4.340 0.001 0.000 0.232 444 R C 2.151 178.437 176.300 -0.023 0.000 1.131 444 R CA 0.805 56.860 56.100 -0.075 0.000 0.955 444 R CB -0.109 30.146 30.300 -0.075 0.000 0.851 444 R HN 0.130 nan 8.270 nan 0.000 0.432 445 I N 0.771 121.331 120.570 -0.017 0.000 2.163 445 I HA -0.235 3.935 4.170 0.001 0.000 0.240 445 I C 1.850 177.988 176.117 0.035 0.000 1.081 445 I CA 0.817 62.125 61.300 0.013 0.000 1.353 445 I CB -0.127 37.885 38.000 0.020 0.000 1.054 445 I HN 0.172 nan 8.210 nan 0.000 0.407 446 L N 1.362 122.604 121.223 0.032 0.000 2.994 446 L HA 0.040 4.380 4.340 0.001 0.000 0.256 446 L C 1.052 178.014 176.870 0.154 0.000 1.315 446 L CA 0.307 55.179 54.840 0.053 0.000 1.143 446 L CB -0.571 41.492 42.059 0.006 0.000 1.530 446 L HN 0.355 nan 8.230 nan 0.000 0.422 447 G N -1.565 107.322 108.800 0.144 0.000 2.351 447 G HA2 -0.001 3.959 3.960 0.001 0.000 0.169 447 G HA3 -0.001 3.959 3.960 0.001 0.000 0.169 447 G C 0.996 175.965 174.900 0.115 0.000 1.484 447 G CA -0.081 45.151 45.100 0.220 0.000 0.715 447 G HN 0.374 nan 8.290 nan 0.000 1.084 448 E N 0.325 120.564 120.200 0.065 0.000 2.201 448 E HA 0.037 4.388 4.350 0.001 0.000 0.193 448 E C 2.270 178.895 176.600 0.041 0.000 0.957 448 E CA 0.352 56.777 56.400 0.041 0.000 0.858 448 E CB 0.130 29.845 29.700 0.024 0.000 0.816 448 E HN 0.087 nan 8.360 nan 0.000 0.475 449 Q N 0.302 120.129 119.800 0.045 0.000 2.123 449 Q HA -0.046 4.294 4.340 0.001 0.000 0.199 449 Q C 1.394 177.416 176.000 0.037 0.000 0.966 449 Q CA 1.126 56.955 55.803 0.042 0.000 0.845 449 Q CB 0.411 29.180 28.738 0.052 0.000 0.907 449 Q HN 0.272 nan 8.270 nan 0.000 0.439 450 V N -1.228 118.708 119.914 0.037 0.000 2.637 450 V HA 0.365 4.486 4.120 0.001 0.000 0.296 450 V C -0.018 176.085 176.094 0.015 0.000 1.118 450 V CA -0.675 61.636 62.300 0.017 0.000 1.230 450 V CB 0.347 32.172 31.823 0.004 0.000 1.360 450 V HN 0.138 nan 8.190 nan 0.000 0.620 451 S N 0.870 116.593 115.700 0.039 0.000 2.558 451 S HA 0.527 4.997 4.470 0.001 0.000 0.293 451 S C 1.384 175.987 174.600 0.004 0.000 1.292 451 S CA 1.165 59.402 58.200 0.061 0.000 1.063 451 S CB 0.826 64.064 63.200 0.064 0.000 0.831 451 S HN 2.449 nan 8.310 nan 0.000 0.499 452 G N 1.969 110.757 108.800 -0.021 0.000 2.491 452 G HA2 0.076 4.036 3.960 0.001 0.000 0.203 452 G HA3 0.076 4.036 3.960 0.001 0.000 0.203 452 G C 0.269 175.061 174.900 -0.180 0.000 1.052 452 G CA -0.080 44.971 45.100 -0.083 0.000 0.675 452 G HN 1.704 nan 8.290 nan 0.000 0.504 453 A N 0.316 123.017 122.820 -0.198 0.000 2.332 453 A HA 0.858 5.179 4.320 0.001 0.000 0.258 453 A C 0.595 177.814 177.584 -0.607 0.000 1.087 453 A CA 0.559 52.432 52.037 -0.273 0.000 0.802 453 A CB 0.910 19.801 19.000 -0.180 0.000 1.042 453 A HN 2.021 nan 8.150 nan 0.000 0.489 454 V N -1.334 118.180 119.914 -0.668 0.000 3.160 454 V HA 0.962 5.083 4.120 0.001 0.000 0.310 454 V C -0.258 175.545 176.094 -0.485 0.000 1.181 454 V CA -0.018 61.550 62.300 -1.220 0.000 1.047 454 V CB 1.565 32.745 31.823 -1.071 0.000 1.068 454 V HN 1.488 nan 8.190 nan 0.000 0.441 455 T N -0.151 114.318 114.554 -0.141 0.000 2.900 455 T HA 0.828 5.178 4.350 0.001 0.000 0.295 455 T C -0.723 174.327 174.700 0.583 0.000 1.044 455 T CA -0.736 61.560 62.100 0.326 0.000 0.995 455 T CB 1.772 70.925 68.868 0.475 0.000 1.072 455 T HN 0.908 nan 8.240 nan 0.000 0.473 456 M N 1.451 121.320 119.600 0.449 0.000 2.619 456 M HA 0.821 5.301 4.480 0.001 0.000 0.297 456 M C -0.849 175.370 176.300 -0.134 0.000 1.229 456 M CA -1.094 54.377 55.300 0.285 0.000 0.860 456 M CB 2.638 35.399 32.600 0.268 0.000 1.741 456 M HN 1.014 nan 8.290 nan 0.000 0.462 457 A N 1.119 123.659 122.820 -0.466 0.000 2.572 457 A HA 0.692 5.012 4.320 0.001 0.000 0.295 457 A C -1.639 175.646 177.584 -0.498 0.000 1.072 457 A CA -0.593 50.990 52.037 -0.757 0.000 0.691 457 A CB 2.088 20.067 19.000 -1.701 0.000 1.291 457 A HN 0.755 nan 8.150 nan 0.000 0.404 458 E N 1.837 121.754 120.200 -0.472 0.000 2.129 458 E HA 0.334 4.685 4.350 0.001 0.000 0.268 458 E C -1.361 175.167 176.600 -0.120 0.000 0.900 458 E CA -0.203 56.035 56.400 -0.271 0.000 0.755 458 E CB 1.217 30.657 29.700 -0.434 0.000 1.117 458 E HN 0.564 nan 8.360 nan 0.000 0.410 459 E N 3.398 123.602 120.200 0.007 0.000 2.220 459 E HA 0.125 4.476 4.350 0.001 0.000 0.256 459 E C 0.665 177.347 176.600 0.136 0.000 0.881 459 E CA -0.128 56.304 56.400 0.053 0.000 0.766 459 E CB 1.441 31.175 29.700 0.057 0.000 1.187 459 E HN 0.615 nan 8.360 nan 0.000 0.419 460 S N 2.521 118.297 115.700 0.126 0.000 2.353 460 S HA -0.156 4.315 4.470 0.001 0.000 0.222 460 S C 1.370 176.059 174.600 0.148 0.000 1.035 460 S CA 1.676 59.961 58.200 0.140 0.000 1.025 460 S CB -0.798 62.466 63.200 0.108 0.000 0.902 460 S HN 0.609 nan 8.310 nan 0.000 0.440 461 T N 0.099 114.754 114.554 0.168 0.000 2.715 461 T HA 0.332 4.683 4.350 0.001 0.000 0.320 461 T C -0.481 174.338 174.700 0.197 0.000 1.046 461 T CA -0.155 62.046 62.100 0.168 0.000 0.983 461 T CB -0.050 68.951 68.868 0.221 0.000 1.183 461 T HN 0.128 nan 8.240 nan 0.000 0.522 462 D N 0.079 120.586 120.400 0.178 0.000 3.123 462 D HA 0.314 4.955 4.640 0.001 0.000 0.305 462 D C -0.849 175.562 176.300 0.184 0.000 1.373 462 D CA -0.381 53.718 54.000 0.165 0.000 0.889 462 D CB -0.716 40.136 40.800 0.087 0.000 1.070 462 D HN 0.470 nan 8.370 nan 0.000 0.494 463 F N 2.917 122.946 119.950 0.131 0.000 2.612 463 F HA 0.127 4.655 4.527 0.001 0.000 0.389 463 F C -1.751 174.095 175.800 0.077 0.000 1.055 463 F CA -1.514 56.555 58.000 0.116 0.000 1.232 463 F CB 0.488 39.545 39.000 0.096 0.000 1.044 463 F HN 0.080 nan 8.300 nan 0.000 0.560 464 P HA 0.169 nan 4.420 nan 0.000 0.276 464 P C 0.281 177.537 177.300 -0.074 0.000 1.230 464 P CA 0.618 63.586 63.100 -0.220 0.000 0.776 464 P CB 1.125 32.655 31.700 -0.282 0.000 0.888 465 G N 2.146 110.962 108.800 0.025 0.000 2.168 465 G HA2 -0.310 3.651 3.960 0.001 0.000 0.257 465 G HA3 -0.310 3.651 3.960 0.001 0.000 0.257 465 G C 0.869 175.873 174.900 0.173 0.000 0.997 465 G CA 0.174 45.311 45.100 0.063 0.000 0.708 465 G HN 0.359 nan 8.290 nan 0.000 0.520 466 V N 0.751 120.828 119.914 0.271 0.000 2.313 466 V HA -0.245 3.875 4.120 0.001 0.000 0.253 466 V C 2.459 178.714 176.094 0.269 0.000 1.070 466 V CA 3.022 65.501 62.300 0.298 0.000 1.057 466 V CB -0.406 31.542 31.823 0.208 0.000 0.653 466 V HN 1.392 nan 8.190 nan 0.000 0.450 467 S N -0.661 115.098 115.700 0.099 0.000 2.526 467 S HA 0.378 4.849 4.470 0.001 0.000 0.245 467 S C 0.176 174.716 174.600 -0.100 0.000 1.103 467 S CA -0.685 57.537 58.200 0.037 0.000 1.095 467 S CB 0.144 63.295 63.200 -0.081 0.000 0.826 467 S HN 0.333 nan 8.310 nan 0.000 0.468 468 R N 2.195 122.661 120.500 -0.057 0.000 2.854 468 R HA 0.614 4.955 4.340 0.001 0.000 0.271 468 R C -3.060 173.175 176.300 -0.108 0.000 0.996 468 R CA -2.610 53.426 56.100 -0.107 0.000 0.961 468 R CB 0.323 30.579 30.300 -0.074 0.000 1.182 468 R HN 0.175 nan 8.270 nan 0.000 0.479 469 P HA -0.037 nan 4.420 nan 0.000 0.264 469 P C -0.194 177.049 177.300 -0.094 0.000 1.183 469 P CA 0.234 63.253 63.100 -0.136 0.000 0.763 469 P CB 0.743 32.368 31.700 -0.124 0.000 0.807 470 Q N 2.141 121.879 119.800 -0.104 0.000 2.050 470 Q HA -0.181 4.159 4.340 0.001 0.000 0.202 470 Q C 1.087 177.058 176.000 -0.048 0.000 0.980 470 Q CA 2.216 57.977 55.803 -0.070 0.000 0.840 470 Q CB -0.786 27.900 28.738 -0.087 0.000 0.898 470 Q HN 0.643 nan 8.270 nan 0.000 0.424 471 D N -1.358 119.008 120.400 -0.057 0.000 2.489 471 D HA -0.079 4.561 4.640 0.001 0.000 0.264 471 D C 0.545 176.823 176.300 -0.037 0.000 1.294 471 D CA 0.558 54.533 54.000 -0.042 0.000 0.938 471 D CB -0.111 40.662 40.800 -0.045 0.000 0.985 471 D HN 0.272 nan 8.370 nan 0.000 0.492 472 M N -2.061 117.519 119.600 -0.033 0.000 1.437 472 M HA 0.209 4.690 4.480 0.001 0.000 0.537 472 M C 1.810 178.100 176.300 -0.018 0.000 2.223 472 M CA 0.169 55.451 55.300 -0.029 0.000 0.549 472 M CB -0.353 32.222 32.600 -0.041 0.000 4.090 472 M HN -0.001 nan 8.290 nan 0.000 0.653 473 G N -0.007 108.783 108.800 -0.017 0.000 2.505 473 G HA2 0.405 4.365 3.960 0.001 0.000 0.214 473 G HA3 0.405 4.365 3.960 0.001 0.000 0.214 473 G C 0.612 175.556 174.900 0.074 0.000 1.237 473 G CA 1.177 46.282 45.100 0.007 0.000 0.802 473 G HN 0.913 nan 8.290 nan 0.000 0.549 474 G N -2.856 105.991 108.800 0.078 0.000 2.361 474 G HA2 0.337 4.298 3.960 0.001 0.000 0.331 474 G HA3 0.337 4.298 3.960 0.001 0.000 0.331 474 G C 0.120 175.066 174.900 0.076 0.000 1.324 474 G CA -0.228 44.934 45.100 0.104 0.000 0.984 474 G HN 1.088 nan 8.290 nan 0.000 0.586 475 L N -0.575 120.645 121.223 -0.006 0.000 3.478 475 L HA -0.155 4.185 4.340 0.001 0.000 0.054 475 L C 2.545 179.273 176.870 -0.238 0.000 4.404 475 L CA 4.154 58.932 54.840 -0.104 0.000 0.544 475 L CB -1.468 40.661 42.059 0.117 0.000 3.531 475 L HN 3.129 nan 8.230 nan 0.000 0.754 476 G N -1.427 107.303 108.800 -0.118 0.000 2.204 476 G HA2 -0.268 3.693 3.960 0.001 0.000 0.244 476 G HA3 -0.268 3.693 3.960 0.001 0.000 0.244 476 G C -0.035 174.726 174.900 -0.231 0.000 1.062 476 G CA 0.023 45.000 45.100 -0.206 0.000 0.798 476 G HN 0.343 nan 8.290 nan 0.000 0.496 477 F N -0.674 119.277 119.950 0.003 0.000 2.389 477 F HA 0.456 4.984 4.527 0.001 0.000 0.337 477 F C 1.760 177.660 175.800 0.167 0.000 1.112 477 F CA -0.730 57.377 58.000 0.179 0.000 1.192 477 F CB 0.584 39.692 39.000 0.179 0.000 1.185 477 F HN 0.152 nan 8.300 nan 0.000 0.552 478 W N 0.652 122.066 121.300 0.191 0.000 2.363 478 W HA -0.140 4.521 4.660 0.001 0.000 0.296 478 W C -0.210 176.178 176.519 -0.219 0.000 1.212 478 W CA 0.931 58.298 57.345 0.037 0.000 1.260 478 W CB -0.110 29.303 29.460 -0.079 0.000 1.131 478 W HN 0.367 nan 8.180 nan 0.000 0.530 479 Y N -0.778 119.805 120.300 0.471 0.000 2.576 479 Y HA 0.414 4.965 4.550 0.001 0.000 0.346 479 Y C -0.152 175.846 175.900 0.164 0.000 1.018 479 Y CA -1.299 56.947 58.100 0.243 0.000 1.050 479 Y CB 1.652 40.280 38.460 0.281 0.000 1.280 479 Y HN -0.451 nan 8.280 nan 0.000 0.474 480 K N 0.975 121.545 120.400 0.283 0.000 2.422 480 K HA 0.372 4.692 4.320 0.001 0.000 0.251 480 K C -1.842 175.091 176.600 0.554 0.000 0.933 480 K CA -0.698 55.744 56.287 0.258 0.000 0.798 480 K CB 1.222 33.777 32.500 0.090 0.000 1.238 480 K HN 0.641 nan 8.250 nan 0.000 0.428 481 W N 2.910 124.340 121.300 0.217 0.000 2.368 481 W HA 0.142 4.803 4.660 0.001 0.000 0.316 481 W C 0.686 177.381 176.519 0.295 0.000 1.375 481 W CA -0.388 57.082 57.345 0.209 0.000 1.261 481 W CB 0.275 29.797 29.460 0.105 0.000 1.298 481 W HN 0.472 nan 8.180 nan 0.000 0.539 482 N N 4.468 123.358 118.700 0.316 0.000 3.124 482 N HA 0.042 4.783 4.740 0.001 0.000 0.284 482 N C 1.150 176.740 175.510 0.132 0.000 1.209 482 N CA 0.139 53.185 53.050 -0.006 0.000 1.149 482 N CB -0.064 38.151 38.487 -0.453 0.000 1.434 482 N HN 0.470 nan 8.380 nan 0.000 0.529 483 L N 0.081 121.436 121.223 0.220 0.000 2.083 483 L HA -0.087 4.253 4.340 0.001 0.000 0.209 483 L C 2.278 179.262 176.870 0.191 0.000 1.083 483 L CA 1.307 56.246 54.840 0.165 0.000 0.752 483 L CB -0.463 41.755 42.059 0.265 0.000 0.899 483 L HN 0.431 nan 8.230 nan 0.000 0.433 484 G N -0.564 108.402 108.800 0.278 0.000 2.418 484 G HA2 -0.325 3.636 3.960 0.001 0.000 0.217 484 G HA3 -0.325 3.636 3.960 0.001 0.000 0.217 484 G C 1.291 176.372 174.900 0.302 0.000 1.158 484 G CA 0.596 45.890 45.100 0.323 0.000 0.771 484 G HN 0.541 nan 8.290 nan 0.000 0.545 485 W N 0.610 121.958 121.300 0.080 0.000 2.358 485 W HA -0.058 4.602 4.660 0.001 0.000 0.303 485 W C 2.420 178.945 176.519 0.009 0.000 1.208 485 W CA 1.863 59.221 57.345 0.022 0.000 1.274 485 W CB -0.015 29.379 29.460 -0.110 0.000 1.138 485 W HN 0.157 nan 8.180 nan 0.000 0.515 486 M N 0.129 119.799 119.600 0.117 0.000 2.159 486 M HA -0.233 4.248 4.480 0.001 0.000 0.263 486 M C 1.602 177.742 176.300 -0.266 0.000 1.063 486 M CA 2.165 57.388 55.300 -0.129 0.000 1.110 486 M CB -1.172 31.414 32.600 -0.023 0.000 1.374 486 M HN 0.214 nan 8.290 nan 0.000 0.411 487 H N -0.030 119.005 119.070 -0.057 0.000 2.395 487 H HA -0.083 4.473 4.556 0.001 0.000 0.299 487 H C 1.689 176.936 175.328 -0.136 0.000 1.070 487 H CA 1.547 57.552 56.048 -0.071 0.000 1.356 487 H CB 0.105 29.861 29.762 -0.010 0.000 1.401 487 H HN 0.420 nan 8.280 nan 0.000 0.524 488 D N -0.392 119.987 120.400 -0.035 0.000 2.091 488 D HA -0.127 4.514 4.640 0.001 0.000 0.199 488 D C 2.404 178.535 176.300 -0.282 0.000 0.980 488 D CA 1.978 55.912 54.000 -0.110 0.000 0.831 488 D CB -0.546 40.232 40.800 -0.036 0.000 0.987 488 D HN 0.485 nan 8.370 nan 0.000 0.460 489 T N -0.634 113.595 114.554 -0.543 0.000 2.867 489 T HA -0.100 4.251 4.350 0.001 0.000 0.268 489 T C 2.029 176.385 174.700 -0.574 0.000 1.057 489 T CA 0.482 62.192 62.100 -0.649 0.000 1.136 489 T CB -0.308 68.000 68.868 -0.934 0.000 0.874 489 T HN -0.064 nan 8.240 nan 0.000 0.466 490 L N 1.758 122.703 121.223 -0.465 0.000 2.109 490 L HA 0.111 4.451 4.340 0.001 0.000 0.207 490 L C 2.223 178.923 176.870 -0.285 0.000 1.086 490 L CA 1.436 56.038 54.840 -0.397 0.000 0.760 490 L CB -0.965 40.953 42.059 -0.235 0.000 0.910 490 L HN 0.183 nan 8.230 nan 0.000 0.437 491 D N -2.003 118.273 120.400 -0.206 0.000 2.178 491 D HA -0.246 4.395 4.640 0.001 0.000 0.201 491 D C 2.022 178.206 176.300 -0.194 0.000 0.980 491 D CA 1.039 54.937 54.000 -0.171 0.000 0.842 491 D CB 0.004 40.727 40.800 -0.129 0.000 0.948 491 D HN 0.375 nan 8.370 nan 0.000 0.472 492 Y N 0.399 120.487 120.300 -0.353 0.000 2.206 492 Y HA -0.124 4.427 4.550 0.001 0.000 0.292 492 Y C 2.103 177.766 175.900 -0.396 0.000 1.123 492 Y CA 1.071 58.948 58.100 -0.372 0.000 1.142 492 Y CB -0.010 38.166 38.460 -0.473 0.000 1.006 492 Y HN -0.188 nan 8.280 nan 0.000 0.518 493 M N 0.663 120.068 119.600 -0.324 0.000 2.279 493 M HA -0.186 4.294 4.480 0.001 0.000 0.264 493 M C 1.744 177.853 176.300 -0.318 0.000 1.062 493 M CA 1.437 56.508 55.300 -0.381 0.000 1.099 493 M CB -0.894 31.380 32.600 -0.543 0.000 1.394 493 M HN 0.268 nan 8.290 nan 0.000 0.426 494 K N 0.226 120.456 120.400 -0.283 0.000 2.097 494 K HA 0.035 4.355 4.320 0.001 0.000 0.205 494 K C 0.886 177.372 176.600 -0.191 0.000 1.050 494 K CA 0.302 56.462 56.287 -0.212 0.000 0.938 494 K CB -0.339 32.054 32.500 -0.178 0.000 0.718 494 K HN 0.313 nan 8.250 nan 0.000 0.442 495 L N 2.376 123.455 121.223 -0.239 0.000 2.536 495 L HA -0.105 4.235 4.340 0.001 0.000 0.294 495 L C 0.703 177.500 176.870 -0.123 0.000 1.257 495 L CA -0.033 54.702 54.840 -0.175 0.000 0.850 495 L CB -0.042 41.855 42.059 -0.270 0.000 1.105 495 L HN 0.184 nan 8.230 nan 0.000 0.517 496 D N 3.344 123.754 120.400 0.018 0.000 2.383 496 D HA 0.075 4.715 4.640 0.001 0.000 0.252 496 D C -1.567 174.653 176.300 -0.133 0.000 1.166 496 D CA -1.770 52.202 54.000 -0.045 0.000 0.879 496 D CB 1.591 42.375 40.800 -0.027 0.000 1.164 496 D HN 0.182 nan 8.370 nan 0.000 0.462 497 P HA -0.229 nan 4.420 nan 0.000 0.219 497 P C 1.498 178.710 177.300 -0.146 0.000 1.153 497 P CA 0.672 63.695 63.100 -0.128 0.000 0.865 497 P CB 0.297 31.956 31.700 -0.068 0.000 0.788 498 V N -2.173 117.606 119.914 -0.226 0.000 2.626 498 V HA -0.204 3.916 4.120 0.001 0.000 0.252 498 V C 1.520 177.478 176.094 -0.226 0.000 1.067 498 V CA 1.643 63.779 62.300 -0.274 0.000 1.081 498 V CB -0.969 30.613 31.823 -0.402 0.000 0.686 498 V HN 0.170 nan 8.190 nan 0.000 0.468 499 Y N -0.906 119.416 120.300 0.037 0.000 2.466 499 Y HA 0.197 4.747 4.550 0.001 0.000 0.272 499 Y C 2.312 178.264 175.900 0.087 0.000 1.169 499 Y CA -0.184 58.017 58.100 0.169 0.000 1.285 499 Y CB 0.072 38.652 38.460 0.200 0.000 1.078 499 Y HN 0.103 nan 8.280 nan 0.000 0.523 500 R N 0.824 121.328 120.500 0.005 0.000 2.285 500 R HA -0.141 4.199 4.340 0.001 0.000 0.213 500 R C 1.823 178.110 176.300 -0.021 0.000 1.068 500 R CA 1.113 57.141 56.100 -0.119 0.000 1.004 500 R CB -0.121 29.935 30.300 -0.407 0.000 0.873 500 R HN 0.613 nan 8.270 nan 0.000 0.467 501 Q N -0.805 118.853 119.800 -0.237 0.000 2.297 501 Q HA -0.127 4.213 4.340 0.001 0.000 0.204 501 Q C 0.441 176.141 176.000 -0.499 0.000 0.962 501 Q CA 1.188 56.760 55.803 -0.386 0.000 0.879 501 Q CB -0.032 28.336 28.738 -0.616 0.000 0.947 501 Q HN 0.489 nan 8.270 nan 0.000 0.462 502 Y N -0.324 119.894 120.300 -0.136 0.000 2.485 502 Y HA 0.217 4.768 4.550 0.001 0.000 0.260 502 Y C 0.480 175.986 175.900 -0.657 0.000 1.173 502 Y CA -0.185 57.684 58.100 -0.386 0.000 1.252 502 Y CB 0.532 38.694 38.460 -0.496 0.000 1.123 502 Y HN 0.234 nan 8.280 nan 0.000 0.524 503 H N -1.962 117.215 119.070 0.178 0.000 2.885 503 H HA 0.098 4.655 4.556 0.001 0.000 0.237 503 H C 1.102 176.570 175.328 0.235 0.000 1.229 503 H CA -0.150 55.998 56.048 0.167 0.000 0.947 503 H CB -0.245 29.590 29.762 0.121 0.000 2.223 503 H HN 0.482 nan 8.280 nan 0.000 0.628 504 H N 2.223 121.380 119.070 0.144 0.000 2.426 504 H HA -0.113 4.443 4.556 0.001 0.000 0.298 504 H C 1.232 176.556 175.328 -0.006 0.000 1.107 504 H CA 1.838 57.925 56.048 0.065 0.000 1.298 504 H CB 0.424 30.188 29.762 0.004 0.000 1.377 504 H HN 0.547 nan 8.280 nan 0.000 0.519 505 D N 0.433 120.929 120.400 0.160 0.000 2.384 505 D HA -0.140 4.500 4.640 0.001 0.000 0.222 505 D C 1.468 177.821 176.300 0.088 0.000 0.976 505 D CA 0.575 54.644 54.000 0.115 0.000 0.915 505 D CB -0.253 40.598 40.800 0.085 0.000 0.896 505 D HN 0.388 nan 8.370 nan 0.000 0.523 506 K N -0.576 119.837 120.400 0.020 0.000 2.296 506 K HA 0.023 4.343 4.320 0.001 0.000 0.200 506 K C 1.449 177.946 176.600 -0.170 0.000 1.048 506 K CA 0.155 56.421 56.287 -0.034 0.000 0.966 506 K CB 0.355 32.845 32.500 -0.016 0.000 0.754 506 K HN 0.078 nan 8.250 nan 0.000 0.466 507 L N -0.095 120.937 121.223 -0.318 0.000 2.515 507 L HA 0.003 4.343 4.340 0.001 0.000 0.223 507 L C 2.210 179.206 176.870 0.209 0.000 1.079 507 L CA 1.333 55.987 54.840 -0.310 0.000 0.857 507 L CB -0.030 41.488 42.059 -0.901 0.000 1.050 507 L HN 0.172 nan 8.230 nan 0.000 0.476 508 T N -4.667 110.000 114.554 0.189 0.000 3.051 508 T HA -0.053 4.297 4.350 0.001 0.000 0.255 508 T C 1.895 176.870 174.700 0.459 0.000 1.085 508 T CA 0.222 62.557 62.100 0.392 0.000 1.109 508 T CB -0.571 68.351 68.868 0.090 0.000 0.921 508 T HN 0.133 nan 8.240 nan 0.000 0.488 509 F N 2.641 122.720 119.950 0.215 0.000 2.102 509 F HA 0.092 4.620 4.527 0.001 0.000 0.298 509 F C 2.586 178.526 175.800 0.233 0.000 1.105 509 F CA 1.192 59.335 58.000 0.239 0.000 1.239 509 F CB -0.636 38.501 39.000 0.227 0.000 0.991 509 F HN 0.285 nan 8.300 nan 0.000 0.474 510 G N 1.203 110.088 108.800 0.142 0.000 2.606 510 G HA2 -0.328 3.632 3.960 0.001 0.000 0.223 510 G HA3 -0.328 3.632 3.960 0.001 0.000 0.223 510 G C 1.494 176.110 174.900 -0.473 0.000 1.106 510 G CA 1.331 46.304 45.100 -0.211 0.000 0.745 510 G HN 0.407 nan 8.290 nan 0.000 0.597 511 I N 0.627 121.120 120.570 -0.128 0.000 2.439 511 I HA -0.033 4.138 4.170 0.001 0.000 0.251 511 I C 2.473 178.461 176.117 -0.216 0.000 1.139 511 I CA 0.526 61.635 61.300 -0.319 0.000 1.438 511 I CB -0.801 37.087 38.000 -0.188 0.000 1.085 511 I HN 0.089 nan 8.210 nan 0.000 0.427 512 L N 0.251 121.388 121.223 -0.144 0.000 2.191 512 L HA -0.175 4.166 4.340 0.001 0.000 0.212 512 L C 2.029 178.911 176.870 0.021 0.000 1.103 512 L CA 1.718 56.553 54.840 -0.008 0.000 0.769 512 L CB -1.628 40.460 42.059 0.048 0.000 0.908 512 L HN 0.485 nan 8.230 nan 0.000 0.438 513 Y N -3.464 116.734 120.300 -0.169 0.000 2.682 513 Y HA 0.340 4.891 4.550 0.001 0.000 0.251 513 Y C 1.592 177.510 175.900 0.030 0.000 1.172 513 Y CA -0.591 57.480 58.100 -0.047 0.000 1.186 513 Y CB -1.170 37.252 38.460 -0.064 0.000 1.216 513 Y HN 0.046 nan 8.280 nan 0.000 0.540 514 N N 0.556 119.001 118.700 -0.426 0.000 2.381 514 N HA -0.189 4.552 4.740 0.001 0.000 0.182 514 N C 0.193 175.364 175.510 -0.564 0.000 1.025 514 N CA 1.175 53.926 53.050 -0.499 0.000 0.888 514 N CB -0.113 37.814 38.487 -0.935 0.000 0.965 514 N HN 0.549 nan 8.380 nan 0.000 0.438 515 Y N 0.263 120.564 120.300 0.002 0.000 2.461 515 Y HA 0.108 4.658 4.550 0.001 0.000 0.277 515 Y C 2.337 178.213 175.900 -0.041 0.000 1.182 515 Y CA 0.553 58.641 58.100 -0.020 0.000 1.276 515 Y CB -0.058 38.384 38.460 -0.029 0.000 1.087 515 Y HN 0.138 nan 8.280 nan 0.000 0.519 516 T N -3.407 111.170 114.554 0.038 0.000 3.035 516 T HA 0.099 4.449 4.350 0.001 0.000 0.259 516 T C 0.518 175.116 174.700 -0.170 0.000 1.078 516 T CA 0.499 62.603 62.100 0.007 0.000 1.132 516 T CB 0.310 69.249 68.868 0.118 0.000 0.900 516 T HN -0.012 nan 8.240 nan 0.000 0.480 517 E N 1.285 121.238 120.200 -0.412 0.000 2.429 517 E HA 0.388 4.738 4.350 0.001 0.000 0.276 517 E C -1.310 174.784 176.600 -0.844 0.000 0.953 517 E CA -0.831 55.137 56.400 -0.720 0.000 0.787 517 E CB 1.309 30.305 29.700 -1.173 0.000 1.307 517 E HN 0.110 nan 8.360 nan 0.000 0.458 518 N N 1.572 119.786 118.700 -0.810 0.000 2.521 518 N HA 0.269 5.009 4.740 0.001 0.000 0.236 518 N C -0.648 174.658 175.510 -0.340 0.000 1.067 518 N CA 0.051 52.488 53.050 -1.021 0.000 0.939 518 N CB -0.024 37.616 38.487 -1.411 0.000 1.201 518 N HN 0.218 nan 8.380 nan 0.000 0.511 519 F N 0.239 120.241 119.950 0.087 0.000 2.380 519 F HA 0.338 4.866 4.527 0.001 0.000 0.325 519 F C 0.935 176.842 175.800 0.179 0.000 1.136 519 F CA -0.683 57.410 58.000 0.155 0.000 1.171 519 F CB 1.073 40.100 39.000 0.045 0.000 1.230 519 F HN -0.031 nan 8.300 nan 0.000 0.554 520 V N 3.681 123.796 119.914 0.335 0.000 2.409 520 V HA 0.233 4.353 4.120 0.001 0.000 0.290 520 V C -0.320 175.642 176.094 -0.221 0.000 1.017 520 V CA -0.818 61.485 62.300 0.004 0.000 0.841 520 V CB 1.558 33.372 31.823 -0.015 0.000 1.003 520 V HN 0.476 nan 8.190 nan 0.000 0.426 521 L N 8.605 129.556 121.223 -0.452 0.000 2.456 521 L HA 0.394 4.734 4.340 0.001 0.000 0.277 521 L C -2.257 174.281 176.870 -0.553 0.000 1.124 521 L CA -0.958 53.440 54.840 -0.737 0.000 0.880 521 L CB 0.770 42.023 42.059 -1.344 0.000 1.192 521 L HN 0.419 nan 8.230 nan 0.000 0.463 522 P HA 0.390 nan 4.420 nan 0.000 0.305 522 P C -1.239 175.959 177.300 -0.170 0.000 1.390 522 P CA -0.775 62.049 63.100 -0.459 0.000 1.054 522 P CB 3.092 34.175 31.700 -1.028 0.000 1.335 523 L N 1.858 122.989 121.223 -0.153 0.000 2.470 523 L HA 0.321 4.661 4.340 0.001 0.000 0.253 523 L C 0.572 177.405 176.870 -0.062 0.000 1.163 523 L CA 0.009 54.849 54.840 0.000 0.000 0.932 523 L CB 0.249 42.394 42.059 0.142 0.000 1.213 523 L HN 0.487 nan 8.230 nan 0.000 0.485 524 S N -0.218 115.387 115.700 -0.158 0.000 2.690 524 S HA 0.332 4.802 4.470 0.001 0.000 0.285 524 S C 1.417 175.799 174.600 -0.364 0.000 1.135 524 S CA 0.224 58.302 58.200 -0.203 0.000 1.020 524 S CB 0.514 63.606 63.200 -0.181 0.000 1.159 524 S HN 0.721 nan 8.310 nan 0.000 0.534 525 H N -1.063 117.434 119.070 -0.955 0.000 2.457 525 H HA 0.090 4.647 4.556 0.001 0.000 0.294 525 H C 0.937 175.953 175.328 -0.521 0.000 1.064 525 H CA 1.490 56.681 56.048 -1.430 0.000 1.330 525 H CB -0.449 27.829 29.762 -2.473 0.000 1.395 525 H HN 0.497 nan 8.280 nan 0.000 0.541 526 D N 0.557 120.438 120.400 -0.864 0.000 2.264 526 D HA -0.091 4.550 4.640 0.001 0.000 0.208 526 D C 1.251 177.472 176.300 -0.132 0.000 0.966 526 D CA 0.751 54.503 54.000 -0.413 0.000 0.864 526 D CB 0.013 40.608 40.800 -0.340 0.000 0.933 526 D HN 0.563 nan 8.370 nan 0.000 0.499 527 E N -0.127 119.997 120.200 -0.127 0.000 2.474 527 E HA 0.030 4.380 4.350 0.001 0.000 0.195 527 E C 0.891 177.498 176.600 0.011 0.000 1.039 527 E CA 0.122 56.504 56.400 -0.031 0.000 0.881 527 E CB 0.769 30.447 29.700 -0.036 0.000 0.970 527 E HN 0.179 nan 8.360 nan 0.000 0.486 528 V N -1.465 118.462 119.914 0.022 0.000 2.647 528 V HA 0.458 4.578 4.120 0.001 0.000 0.305 528 V C 0.051 176.224 176.094 0.132 0.000 1.162 528 V CA -0.750 61.604 62.300 0.091 0.000 1.248 528 V CB -0.133 31.773 31.823 0.138 0.000 1.508 528 V HN -0.098 nan 8.190 nan 0.000 0.647 529 V N -3.692 116.264 119.914 0.069 0.000 3.130 529 V HA 0.644 4.764 4.120 0.001 0.000 0.308 529 V C 0.635 176.754 176.094 0.042 0.000 1.413 529 V CA -0.756 61.547 62.300 0.005 0.000 1.053 529 V CB 1.323 33.068 31.823 -0.129 0.000 1.075 529 V HN 0.498 nan 8.190 nan 0.000 0.465 530 H N 0.329 119.503 119.070 0.173 0.000 2.740 530 H HA -0.191 4.366 4.556 0.001 0.000 0.306 530 H C 1.459 176.838 175.328 0.085 0.000 1.096 530 H CA 1.977 58.100 56.048 0.125 0.000 1.155 530 H CB -1.582 28.257 29.762 0.129 0.000 1.367 530 H HN 2.318 nan 8.280 nan 0.000 0.387 531 G N -1.020 107.881 108.800 0.168 0.000 2.159 531 G HA2 -0.337 3.624 3.960 0.001 0.000 0.227 531 G HA3 -0.337 3.624 3.960 0.001 0.000 0.227 531 G C 1.212 176.162 174.900 0.084 0.000 0.986 531 G CA 0.467 45.632 45.100 0.108 0.000 0.651 531 G HN 0.517 nan 8.290 nan 0.000 0.523 532 K N 0.214 120.668 120.400 0.091 0.000 2.296 532 K HA 0.211 4.531 4.320 0.001 0.000 0.200 532 K C 1.077 177.702 176.600 0.042 0.000 1.048 532 K CA 1.084 57.410 56.287 0.064 0.000 0.966 532 K CB 0.034 32.576 32.500 0.070 0.000 0.754 532 K HN 0.566 nan 8.250 nan 0.000 0.466 533 K N -0.624 119.807 120.400 0.051 0.000 5.816 533 K HA -0.132 4.188 4.320 0.001 0.000 0.946 533 K C -0.452 176.175 176.600 0.045 0.000 2.373 533 K CA 0.339 56.650 56.287 0.039 0.000 1.325 533 K CB -1.042 31.466 32.500 0.012 0.000 2.481 533 K HN 0.303 nan 8.250 nan 0.000 0.258 534 S N -0.140 115.582 115.700 0.036 0.000 2.652 534 S HA 0.415 4.886 4.470 0.001 0.000 0.270 534 S C 1.453 176.062 174.600 0.015 0.000 1.243 534 S CA -0.864 57.360 58.200 0.041 0.000 0.999 534 S CB 0.717 63.935 63.200 0.030 0.000 0.973 534 S HN 0.444 nan 8.310 nan 0.000 0.544 535 I N 0.656 121.248 120.570 0.037 0.000 2.179 535 I HA -0.104 4.067 4.170 0.001 0.000 0.242 535 I C 2.388 178.465 176.117 -0.066 0.000 1.088 535 I CA 1.069 62.385 61.300 0.026 0.000 1.357 535 I CB -1.838 36.248 38.000 0.143 0.000 1.051 535 I HN 0.718 nan 8.210 nan 0.000 0.409 536 L N 1.407 122.573 121.223 -0.096 0.000 2.013 536 L HA -0.261 4.079 4.340 0.001 0.000 0.212 536 L C 1.964 178.705 176.870 -0.215 0.000 1.073 536 L CA 2.098 56.803 54.840 -0.226 0.000 0.753 536 L CB -0.888 41.023 42.059 -0.246 0.000 0.890 536 L HN 0.133 nan 8.230 nan 0.000 0.432 537 D N -1.026 119.299 120.400 -0.126 0.000 2.263 537 D HA -0.147 4.494 4.640 0.001 0.000 0.208 537 D C 2.264 178.501 176.300 -0.105 0.000 0.971 537 D CA 0.776 54.716 54.000 -0.100 0.000 0.867 537 D CB 0.039 40.812 40.800 -0.044 0.000 0.929 537 D HN 0.302 nan 8.370 nan 0.000 0.492 538 R N -0.757 119.675 120.500 -0.113 0.000 2.193 538 R HA 0.041 4.382 4.340 0.001 0.000 0.213 538 R C 0.312 176.517 176.300 -0.159 0.000 1.055 538 R CA 0.275 56.301 56.100 -0.122 0.000 0.995 538 R CB 0.132 30.357 30.300 -0.125 0.000 0.893 538 R HN 0.158 nan 8.270 nan 0.000 0.459 539 M N 1.874 121.359 119.600 -0.192 0.000 2.245 539 M HA 0.121 4.601 4.480 0.001 0.000 0.344 539 M C -2.009 174.185 176.300 -0.177 0.000 1.170 539 M CA -2.402 52.770 55.300 -0.214 0.000 1.135 539 M CB 0.087 32.522 32.600 -0.276 0.000 1.574 539 M HN -0.077 nan 8.290 nan 0.000 0.452 540 P HA 0.590 nan 4.420 nan 0.000 0.283 540 P C 0.042 177.282 177.300 -0.101 0.000 1.278 540 P CA 0.050 63.083 63.100 -0.112 0.000 0.834 540 P CB 1.340 32.981 31.700 -0.099 0.000 1.150 541 G N 0.972 109.733 108.800 -0.065 0.000 2.725 541 G HA2 -0.112 3.848 3.960 0.001 0.000 0.220 541 G HA3 -0.112 3.848 3.960 0.001 0.000 0.220 541 G C -1.072 173.805 174.900 -0.038 0.000 1.357 541 G CA -0.066 45.011 45.100 -0.038 0.000 0.866 541 G HN 0.864 nan 8.290 nan 0.000 0.548 542 D N 0.011 120.412 120.400 0.001 0.000 2.283 542 D HA 0.689 5.329 4.640 0.001 0.000 0.248 542 D C 1.590 177.875 176.300 -0.025 0.000 1.072 542 D CA 0.810 54.819 54.000 0.014 0.000 0.929 542 D CB 1.154 41.993 40.800 0.065 0.000 1.182 542 D HN 1.613 nan 8.370 nan 0.000 0.433 543 A N 1.711 124.502 122.820 -0.048 0.000 1.855 543 A HA -0.352 3.969 4.320 0.001 0.000 0.290 543 A C 1.845 179.164 177.584 -0.442 0.000 3.052 543 A CA 2.788 54.703 52.037 -0.204 0.000 0.951 543 A CB -2.058 16.861 19.000 -0.135 0.000 0.770 543 A HN 0.934 nan 8.150 nan 0.000 0.505 544 W N 0.409 121.393 121.300 -0.527 0.000 2.304 544 W HA -0.270 4.391 4.660 0.001 0.000 0.315 544 W C 2.687 179.074 176.519 -0.221 0.000 1.233 544 W CA 2.570 59.671 57.345 -0.408 0.000 1.261 544 W CB -0.422 29.045 29.460 0.011 0.000 1.150 544 W HN 0.596 nan 8.180 nan 0.000 0.494 545 Q N -0.183 119.630 119.800 0.021 0.000 2.084 545 Q HA -0.232 4.109 4.340 0.001 0.000 0.202 545 Q C 2.250 178.071 176.000 -0.297 0.000 0.978 545 Q CA 1.770 57.523 55.803 -0.085 0.000 0.844 545 Q CB -0.357 28.426 28.738 0.075 0.000 0.898 545 Q HN 0.347 nan 8.270 nan 0.000 0.426 546 K N -0.025 120.181 120.400 -0.323 0.000 2.032 546 K HA -0.149 4.172 4.320 0.001 0.000 0.209 546 K C 1.882 178.128 176.600 -0.590 0.000 1.048 546 K CA 1.387 57.413 56.287 -0.434 0.000 0.927 546 K CB -0.157 32.050 32.500 -0.487 0.000 0.712 546 K HN 0.115 nan 8.250 nan 0.000 0.441 547 F N 0.729 120.324 119.950 -0.592 0.000 2.146 547 F HA -0.151 4.377 4.527 0.001 0.000 0.298 547 F C 2.485 177.970 175.800 -0.526 0.000 1.096 547 F CA 1.128 58.786 58.000 -0.569 0.000 1.275 547 F CB -0.480 38.068 39.000 -0.753 0.000 1.008 547 F HN 0.056 nan 8.300 nan 0.000 0.480 548 A N 0.110 122.591 122.820 -0.566 0.000 1.933 548 A HA -0.197 4.124 4.320 0.001 0.000 0.218 548 A C 2.168 179.570 177.584 -0.303 0.000 1.175 548 A CA 1.849 53.540 52.037 -0.576 0.000 0.628 548 A CB -0.752 17.573 19.000 -1.125 0.000 0.814 548 A HN 0.350 nan 8.150 nan 0.000 0.444 549 N N -0.314 118.223 118.700 -0.272 0.000 2.106 549 N HA -0.135 4.605 4.740 0.001 0.000 0.188 549 N C 1.712 177.162 175.510 -0.100 0.000 1.029 549 N CA 1.569 54.544 53.050 -0.125 0.000 0.848 549 N CB -0.452 37.941 38.487 -0.156 0.000 1.007 549 N HN 0.408 nan 8.380 nan 0.000 0.423 550 L N 2.135 123.214 121.223 -0.240 0.000 1.989 550 L HA -0.139 4.201 4.340 0.001 0.000 0.211 550 L C 2.321 178.968 176.870 -0.372 0.000 1.071 550 L CA 1.625 56.260 54.840 -0.343 0.000 0.749 550 L CB -0.342 41.438 42.059 -0.465 0.000 0.890 550 L HN 0.060 nan 8.230 nan 0.000 0.431 551 R N -0.696 119.664 120.500 -0.234 0.000 2.081 551 R HA -0.100 4.241 4.340 0.001 0.000 0.235 551 R C 2.240 178.547 176.300 0.011 0.000 1.131 551 R CA 1.243 57.270 56.100 -0.121 0.000 0.960 551 R CB -0.745 29.497 30.300 -0.097 0.000 0.856 551 R HN 0.526 nan 8.270 nan 0.000 0.436 552 A N 0.756 123.596 122.820 0.034 0.000 1.908 552 A HA -0.231 4.090 4.320 0.001 0.000 0.218 552 A C 2.005 179.834 177.584 0.409 0.000 1.181 552 A CA 1.228 53.340 52.037 0.124 0.000 0.627 552 A CB -0.810 18.198 19.000 0.014 0.000 0.818 552 A HN 0.508 nan 8.150 nan 0.000 0.445 553 Y N -1.272 119.192 120.300 0.273 0.000 2.114 553 Y HA -0.306 4.245 4.550 0.001 0.000 0.284 553 Y C 2.371 178.613 175.900 0.570 0.000 1.143 553 Y CA 1.905 60.228 58.100 0.372 0.000 1.135 553 Y CB -0.299 38.241 38.460 0.133 0.000 0.980 553 Y HN 0.365 nan 8.280 nan 0.000 0.499 554 Y N 0.484 120.905 120.300 0.202 0.000 2.193 554 Y HA -0.184 4.367 4.550 0.001 0.000 0.285 554 Y C 2.672 178.756 175.900 0.306 0.000 1.166 554 Y CA 0.847 59.049 58.100 0.170 0.000 1.181 554 Y CB -1.481 37.009 38.460 0.050 0.000 0.976 554 Y HN 0.287 nan 8.280 nan 0.000 0.520 555 G N -0.837 108.209 108.800 0.410 0.000 2.422 555 G HA2 -0.268 3.692 3.960 0.001 0.000 0.218 555 G HA3 -0.268 3.692 3.960 0.001 0.000 0.218 555 G C 1.679 176.986 174.900 0.679 0.000 1.146 555 G CA 0.649 45.979 45.100 0.382 0.000 0.769 555 G HN 0.563 nan 8.290 nan 0.000 0.547 556 W N 0.754 122.341 121.300 0.479 0.000 2.407 556 W HA -0.010 4.651 4.660 0.001 0.000 0.305 556 W C 2.300 179.119 176.519 0.500 0.000 1.196 556 W CA 1.294 58.950 57.345 0.518 0.000 1.311 556 W CB -0.262 29.538 29.460 0.567 0.000 1.135 556 W HN 0.291 nan 8.180 nan 0.000 0.514 557 M N 0.081 120.010 119.600 0.547 0.000 2.080 557 M HA -0.272 4.209 4.480 0.001 0.000 0.260 557 M C 2.198 178.526 176.300 0.048 0.000 1.068 557 M CA 2.342 57.810 55.300 0.279 0.000 1.109 557 M CB -1.021 31.686 32.600 0.177 0.000 1.342 557 M HN 0.028 nan 8.290 nan 0.000 0.405 558 W N -0.024 121.317 121.300 0.068 0.000 2.525 558 W HA -0.033 4.627 4.660 0.001 0.000 0.259 558 W C 2.001 178.518 176.519 -0.004 0.000 1.253 558 W CA 1.148 58.488 57.345 -0.008 0.000 1.262 558 W CB -0.071 29.499 29.460 0.184 0.000 1.122 558 W HN 0.456 nan 8.180 nan 0.000 0.607 559 A N -1.435 121.512 122.820 0.211 0.000 2.197 559 A HA 0.076 4.397 4.320 0.001 0.000 0.210 559 A C 0.273 177.867 177.584 0.017 0.000 1.180 559 A CA -0.255 51.715 52.037 -0.111 0.000 0.846 559 A CB -0.537 18.257 19.000 -0.342 0.000 0.884 559 A HN -0.000 nan 8.150 nan 0.000 0.487 560 F N 1.201 121.017 119.950 -0.224 0.000 2.418 560 F HA 0.430 4.957 4.527 0.001 0.000 0.341 560 F C -2.339 173.203 175.800 -0.429 0.000 1.120 560 F CA -2.365 55.400 58.000 -0.393 0.000 1.232 560 F CB 0.685 39.408 39.000 -0.462 0.000 1.175 560 F HN -0.080 nan 8.300 nan 0.000 0.569 561 P HA 0.291 nan 4.420 nan 0.000 0.261 561 P C -0.749 176.246 177.300 -0.508 0.000 1.183 561 P CA 0.680 63.336 63.100 -0.740 0.000 0.761 561 P CB 0.201 31.314 31.700 -0.977 0.000 0.785 562 G N 1.582 110.174 108.800 -0.347 0.000 2.453 562 G HA2 0.037 3.997 3.960 0.001 0.000 0.665 562 G HA3 0.037 3.997 3.960 0.001 0.000 0.665 562 G C -1.081 173.697 174.900 -0.203 0.000 1.411 562 G CA -0.974 44.021 45.100 -0.175 0.000 0.889 562 G HN 0.225 nan 8.290 nan 0.000 0.651 563 K N 0.205 120.574 120.400 -0.051 0.000 2.143 563 K HA 0.556 4.876 4.320 0.001 0.000 0.239 563 K C 0.284 176.663 176.600 -0.369 0.000 1.048 563 K CA 0.015 56.226 56.287 -0.127 0.000 0.867 563 K CB 0.451 32.903 32.500 -0.079 0.000 1.088 563 K HN 0.503 nan 8.250 nan 0.000 0.510 564 K N 0.152 120.279 120.400 -0.454 0.000 2.318 564 K HA 0.570 4.890 4.320 0.001 0.000 0.249 564 K C -0.868 175.480 176.600 -0.420 0.000 0.942 564 K CA -0.536 55.363 56.287 -0.647 0.000 0.808 564 K CB 1.742 33.530 32.500 -1.187 0.000 1.189 564 K HN 0.454 nan 8.250 nan 0.000 0.428 565 L N 2.708 123.678 121.223 -0.421 0.000 2.431 565 L HA 0.673 5.014 4.340 0.001 0.000 0.266 565 L C -1.956 174.802 176.870 -0.186 0.000 0.978 565 L CA -1.059 53.621 54.840 -0.266 0.000 0.822 565 L CB 1.530 43.353 42.059 -0.394 0.000 1.310 565 L HN 0.640 nan 8.230 nan 0.000 0.409 566 L N 4.295 125.510 121.223 -0.013 0.000 2.476 566 L HA 0.506 4.847 4.340 0.001 0.000 0.269 566 L C -1.220 175.670 176.870 0.033 0.000 0.965 566 L CA -0.142 54.744 54.840 0.077 0.000 0.845 566 L CB 1.699 43.944 42.059 0.309 0.000 1.259 566 L HN 0.558 nan 8.230 nan 0.000 0.403 567 F N 5.754 125.607 119.950 -0.161 0.000 2.459 567 F HA 0.417 4.945 4.527 0.001 0.000 0.346 567 F C 0.699 176.327 175.800 -0.287 0.000 1.128 567 F CA -0.767 57.061 58.000 -0.287 0.000 1.268 567 F CB 0.884 39.724 39.000 -0.267 0.000 1.161 567 F HN 0.598 nan 8.300 nan 0.000 0.583 568 M N 4.248 123.122 119.600 -1.211 0.000 2.290 568 M HA 0.324 4.805 4.480 0.001 0.000 0.356 568 M C 0.822 176.725 176.300 -0.661 0.000 1.448 568 M CA 1.022 55.832 55.300 -0.818 0.000 0.993 568 M CB -0.574 31.590 32.600 -0.727 0.000 1.934 568 M HN 0.952 nan 8.290 nan 0.000 0.461 569 G N 2.888 111.385 108.800 -0.506 0.000 2.307 569 G HA2 -0.274 3.686 3.960 0.001 0.000 0.210 569 G HA3 -0.274 3.686 3.960 0.001 0.000 0.210 569 G C 0.652 175.090 174.900 -0.771 0.000 1.005 569 G CA 0.367 44.881 45.100 -0.977 0.000 0.634 569 G HN 0.821 nan 8.290 nan 0.000 0.496 570 N N 1.136 119.673 118.700 -0.270 0.000 2.216 570 N HA -0.027 4.713 4.740 0.001 0.000 0.183 570 N C 2.079 177.651 175.510 0.103 0.000 1.017 570 N CA 1.153 54.206 53.050 0.005 0.000 0.861 570 N CB -0.199 38.381 38.487 0.154 0.000 0.986 570 N HN 0.682 nan 8.380 nan 0.000 0.428 571 E N 1.975 122.232 120.200 0.096 0.000 2.160 571 E HA -0.219 4.132 4.350 0.001 0.000 0.195 571 E C 0.872 177.653 176.600 0.302 0.000 0.991 571 E CA 1.192 57.733 56.400 0.236 0.000 0.810 571 E CB -0.448 29.492 29.700 0.399 0.000 0.742 571 E HN 0.681 nan 8.360 nan 0.000 0.466 572 F N -1.280 118.810 119.950 0.234 0.000 2.708 572 F HA 0.740 5.268 4.527 0.001 0.000 0.300 572 F C 0.505 176.463 175.800 0.263 0.000 1.118 572 F CA -0.573 57.551 58.000 0.207 0.000 1.307 572 F CB 0.348 39.406 39.000 0.098 0.000 0.986 572 F HN 0.049 nan 8.300 nan 0.000 0.522 573 A N 1.430 124.399 122.820 0.247 0.000 2.362 573 A HA -0.326 3.994 4.320 0.001 0.000 0.290 573 A C 0.556 178.301 177.584 0.269 0.000 1.441 573 A CA 1.096 53.286 52.037 0.256 0.000 0.743 573 A CB -2.221 16.999 19.000 0.367 0.000 1.125 573 A HN 0.852 nan 8.150 nan 0.000 0.378 574 Q N -0.125 119.647 119.800 -0.046 0.000 2.361 574 Q HA 0.353 4.693 4.340 0.001 0.000 0.276 574 Q C 1.404 177.441 176.000 0.062 0.000 1.022 574 Q CA 0.856 56.662 55.803 0.005 0.000 0.898 574 Q CB 0.546 29.171 28.738 -0.187 0.000 1.246 574 Q HN 0.915 nan 8.270 nan 0.000 0.410 575 G N 4.199 113.056 108.800 0.093 0.000 2.411 575 G HA2 -0.029 3.931 3.960 0.001 0.000 0.213 575 G HA3 -0.029 3.931 3.960 0.001 0.000 0.213 575 G C 0.286 175.220 174.900 0.058 0.000 1.166 575 G CA -0.145 45.008 45.100 0.088 0.000 0.802 575 G HN 0.541 nan 8.290 nan 0.000 0.533 576 R N 0.878 121.415 120.500 0.061 0.000 2.615 576 R HA 0.323 4.664 4.340 0.001 0.000 0.270 576 R C -0.153 176.190 176.300 0.073 0.000 1.081 576 R CA -0.288 55.850 56.100 0.063 0.000 1.154 576 R CB 0.852 31.193 30.300 0.068 0.000 1.063 576 R HN 0.291 nan 8.270 nan 0.000 0.519 577 E N 0.727 120.975 120.200 0.080 0.000 2.408 577 E HA -0.090 4.260 4.350 0.001 0.000 0.259 577 E C -0.706 175.991 176.600 0.162 0.000 1.110 577 E CA -0.155 56.315 56.400 0.116 0.000 0.929 577 E CB 0.464 30.220 29.700 0.092 0.000 0.971 577 E HN 0.369 nan 8.360 nan 0.000 0.438 578 W N 3.240 124.558 121.300 0.031 0.000 2.308 578 W HA 0.025 4.686 4.660 0.001 0.000 0.324 578 W C -0.428 176.107 176.519 0.026 0.000 1.387 578 W CA -0.211 57.163 57.345 0.048 0.000 1.250 578 W CB 0.024 29.573 29.460 0.147 0.000 1.257 578 W HN 0.353 nan 8.180 nan 0.000 0.554 579 N N 4.328 122.767 118.700 -0.435 0.000 2.569 579 N HA 0.037 4.778 4.740 0.001 0.000 0.254 579 N C 0.884 175.974 175.510 -0.700 0.000 1.004 579 N CA -0.513 52.203 53.050 -0.557 0.000 0.904 579 N CB 0.394 38.741 38.487 -0.235 0.000 1.165 579 N HN 0.730 nan 8.380 nan 0.000 0.513 580 H N 1.394 119.881 119.070 -0.972 0.000 2.541 580 H HA -0.033 4.524 4.556 0.001 0.000 0.289 580 H C 0.249 175.624 175.328 0.079 0.000 1.054 580 H CA 0.941 56.689 56.048 -0.500 0.000 1.250 580 H CB 0.199 29.624 29.762 -0.563 0.000 1.369 580 H HN 0.439 nan 8.280 nan 0.000 0.578 581 D N 0.100 120.207 120.400 -0.488 0.000 2.340 581 D HA 0.382 5.022 4.640 0.001 0.000 0.217 581 D C 0.317 176.597 176.300 -0.033 0.000 1.081 581 D CA 0.623 54.522 54.000 -0.168 0.000 0.842 581 D CB 0.460 41.092 40.800 -0.280 0.000 0.934 581 D HN 0.601 nan 8.370 nan 0.000 0.511 582 A N -0.702 122.125 122.820 0.012 0.000 2.564 582 A HA 0.570 4.890 4.320 0.001 0.000 0.288 582 A C 0.019 177.696 177.584 0.155 0.000 1.164 582 A CA -0.474 51.601 52.037 0.063 0.000 0.712 582 A CB 1.488 20.502 19.000 0.023 0.000 1.303 582 A HN -0.035 nan 8.150 nan 0.000 0.418 583 S N -1.415 114.377 115.700 0.155 0.000 2.626 583 S HA 0.395 4.866 4.470 0.001 0.000 0.257 583 S C 0.491 175.184 174.600 0.156 0.000 1.288 583 S CA -0.336 57.985 58.200 0.201 0.000 0.980 583 S CB 0.068 63.385 63.200 0.196 0.000 0.975 583 S HN 0.558 nan 8.310 nan 0.000 0.577 584 L N 1.642 122.928 121.223 0.105 0.000 2.737 584 L HA 0.196 4.537 4.340 0.001 0.000 0.236 584 L C -0.280 176.410 176.870 -0.300 0.000 1.219 584 L CA 0.235 54.986 54.840 -0.148 0.000 1.021 584 L CB -0.691 41.150 42.059 -0.362 0.000 1.291 584 L HN 0.692 nan 8.230 nan 0.000 0.470 585 D N -1.874 118.426 120.400 -0.166 0.000 2.800 585 D HA -0.230 4.410 4.640 0.001 0.000 0.232 585 D C 0.454 176.373 176.300 -0.634 0.000 1.137 585 D CA 0.672 54.479 54.000 -0.321 0.000 0.718 585 D CB -1.381 39.244 40.800 -0.291 0.000 1.084 585 D HN 0.391 nan 8.370 nan 0.000 0.432 586 W N 0.113 121.191 121.300 -0.371 0.000 2.632 586 W HA -0.084 4.577 4.660 0.001 0.000 0.248 586 W C 2.451 178.695 176.519 -0.458 0.000 1.259 586 W CA 1.054 58.056 57.345 -0.573 0.000 1.288 586 W CB -0.588 28.616 29.460 -0.426 0.000 1.136 586 W HN 0.519 nan 8.180 nan 0.000 0.640 587 H N -0.680 118.340 119.070 -0.083 0.000 2.456 587 H HA -0.129 4.427 4.556 0.001 0.000 0.296 587 H C 1.736 176.991 175.328 -0.122 0.000 1.079 587 H CA 1.388 57.396 56.048 -0.067 0.000 1.322 587 H CB -0.780 28.960 29.762 -0.036 0.000 1.388 587 H HN 0.238 nan 8.280 nan 0.000 0.538 588 L N 0.866 121.767 121.223 -0.537 0.000 2.191 588 L HA -0.105 4.235 4.340 0.001 0.000 0.212 588 L C 1.980 178.666 176.870 -0.306 0.000 1.103 588 L CA 0.696 55.301 54.840 -0.391 0.000 0.769 588 L CB -0.139 41.445 42.059 -0.792 0.000 0.908 588 L HN 0.242 nan 8.230 nan 0.000 0.438 589 L N -0.515 120.478 121.223 -0.383 0.000 2.737 589 L HA 0.115 4.455 4.340 0.001 0.000 0.236 589 L C 0.406 177.292 176.870 0.027 0.000 1.219 589 L CA -0.276 54.333 54.840 -0.386 0.000 1.021 589 L CB -0.193 41.632 42.059 -0.391 0.000 1.291 589 L HN 0.114 nan 8.230 nan 0.000 0.470 590 E N 0.234 120.476 120.200 0.070 0.000 2.250 590 E HA 0.476 4.827 4.350 0.001 0.000 0.265 590 E C 0.373 177.069 176.600 0.159 0.000 1.033 590 E CA -0.208 56.266 56.400 0.123 0.000 0.888 590 E CB 1.299 31.051 29.700 0.087 0.000 1.151 590 E HN 0.166 nan 8.360 nan 0.000 0.412 591 G N 1.630 110.491 108.800 0.102 0.000 2.580 591 G HA2 0.170 4.130 3.960 0.001 0.000 0.289 591 G HA3 0.170 4.130 3.960 0.001 0.000 0.289 591 G C 0.504 175.441 174.900 0.061 0.000 0.118 591 G CA 0.871 46.009 45.100 0.063 0.000 1.158 591 G HN 1.135 nan 8.290 nan 0.000 0.544 592 G N 1.741 110.543 108.800 0.003 0.000 3.190 592 G HA2 0.226 4.187 3.960 0.001 0.000 0.686 592 G HA3 0.226 4.187 3.960 0.001 0.000 0.686 592 G C -0.300 174.567 174.900 -0.054 0.000 1.033 592 G CA 0.237 45.320 45.100 -0.028 0.000 0.797 592 G HN 1.280 nan 8.290 nan 0.000 0.567 593 D N 0.858 121.168 120.400 -0.150 0.000 2.451 593 D HA 0.398 5.038 4.640 0.001 0.000 0.254 593 D C 0.966 177.324 176.300 0.097 0.000 1.204 593 D CA 0.887 54.794 54.000 -0.154 0.000 0.896 593 D CB 0.335 41.076 40.800 -0.098 0.000 1.136 593 D HN 0.774 nan 8.370 nan 0.000 0.499 594 N N 2.025 120.894 118.700 0.283 0.000 2.653 594 N HA 0.270 5.011 4.740 0.001 0.000 0.294 594 N C 0.545 175.685 175.510 -0.618 0.000 1.305 594 N CA -0.901 52.057 53.050 -0.153 0.000 0.827 594 N CB 0.116 38.615 38.487 0.021 0.000 1.415 594 N HN 0.241 nan 8.380 nan 0.000 0.546 595 W N 0.087 120.812 121.300 -0.958 0.000 2.325 595 W HA -0.168 4.493 4.660 0.001 0.000 0.299 595 W C 1.720 177.737 176.519 -0.836 0.000 1.215 595 W CA 1.421 57.982 57.345 -1.307 0.000 1.244 595 W CB -0.851 27.349 29.460 -2.101 0.000 1.140 595 W HN 0.631 nan 8.180 nan 0.000 0.523 596 H N -1.738 117.223 119.070 -0.182 0.000 2.387 596 H HA -0.133 4.423 4.556 0.001 0.000 0.299 596 H C 2.028 177.370 175.328 0.024 0.000 1.090 596 H CA 1.618 57.686 56.048 0.033 0.000 1.332 596 H CB -0.689 29.063 29.762 -0.016 0.000 1.386 596 H HN 0.279 nan 8.280 nan 0.000 0.516 597 H N -0.229 118.930 119.070 0.148 0.000 2.353 597 H HA -0.059 4.497 4.556 0.001 0.000 0.300 597 H C 2.513 177.943 175.328 0.171 0.000 1.090 597 H CA 1.136 57.277 56.048 0.155 0.000 1.327 597 H CB -0.473 29.352 29.762 0.105 0.000 1.383 597 H HN 0.424 nan 8.280 nan 0.000 0.508 598 G N 0.410 109.370 108.800 0.266 0.000 2.422 598 G HA2 -0.156 3.805 3.960 0.001 0.000 0.218 598 G HA3 -0.156 3.805 3.960 0.001 0.000 0.218 598 G C 1.922 177.001 174.900 0.299 0.000 1.140 598 G CA 0.904 46.208 45.100 0.339 0.000 0.775 598 G HN 0.254 nan 8.290 nan 0.000 0.545 599 V N 0.297 120.357 119.914 0.243 0.000 2.379 599 V HA -0.179 3.941 4.120 0.001 0.000 0.245 599 V C 2.700 178.924 176.094 0.216 0.000 1.044 599 V CA 2.089 64.528 62.300 0.232 0.000 1.036 599 V CB -0.352 31.666 31.823 0.325 0.000 0.664 599 V HN 0.483 nan 8.190 nan 0.000 0.453 600 Q N 0.045 120.013 119.800 0.280 0.000 2.124 600 Q HA -0.246 4.094 4.340 0.001 0.000 0.202 600 Q C 2.409 178.522 176.000 0.187 0.000 0.977 600 Q CA 1.736 57.709 55.803 0.285 0.000 0.850 600 Q CB -0.036 28.937 28.738 0.391 0.000 0.901 600 Q HN 0.501 nan 8.270 nan 0.000 0.429 601 R N -0.246 120.385 120.500 0.219 0.000 2.115 601 R HA -0.132 4.208 4.340 0.001 0.000 0.230 601 R C 2.205 178.595 176.300 0.149 0.000 1.111 601 R CA 1.026 57.264 56.100 0.229 0.000 0.976 601 R CB -0.179 30.285 30.300 0.272 0.000 0.870 601 R HN 0.290 nan 8.270 nan 0.000 0.445 602 L N -0.158 121.024 121.223 -0.068 0.000 2.072 602 L HA -0.083 4.257 4.340 0.001 0.000 0.205 602 L C 1.866 178.465 176.870 -0.451 0.000 1.079 602 L CA 1.495 56.004 54.840 -0.553 0.000 0.752 602 L CB -0.423 41.195 42.059 -0.734 0.000 0.906 602 L HN -0.042 nan 8.230 nan 0.000 0.436 603 V N 0.389 120.093 119.914 -0.350 0.000 2.252 603 V HA -0.355 3.765 4.120 0.001 0.000 0.249 603 V C 2.808 178.531 176.094 -0.618 0.000 1.056 603 V CA 2.339 64.291 62.300 -0.580 0.000 1.022 603 V CB -0.812 30.809 31.823 -0.336 0.000 0.641 603 V HN 0.569 nan 8.190 nan 0.000 0.445 604 R N 0.024 120.292 120.500 -0.385 0.000 2.083 604 R HA -0.215 4.126 4.340 0.001 0.000 0.237 604 R C 2.038 178.128 176.300 -0.351 0.000 1.137 604 R CA 2.274 58.143 56.100 -0.386 0.000 0.951 604 R CB -0.446 29.687 30.300 -0.278 0.000 0.851 604 R HN 0.504 nan 8.270 nan 0.000 0.434 605 D N 0.298 120.540 120.400 -0.263 0.000 2.178 605 D HA -0.139 4.502 4.640 0.001 0.000 0.201 605 D C 1.802 177.933 176.300 -0.283 0.000 0.980 605 D CA 0.751 54.633 54.000 -0.197 0.000 0.842 605 D CB -0.066 40.705 40.800 -0.049 0.000 0.948 605 D HN 0.149 nan 8.370 nan 0.000 0.472 606 L N 1.123 122.048 121.223 -0.497 0.000 1.994 606 L HA -0.113 4.228 4.340 0.001 0.000 0.208 606 L C 1.968 178.652 176.870 -0.310 0.000 1.071 606 L CA 1.404 55.869 54.840 -0.626 0.000 0.745 606 L CB -1.009 40.272 42.059 -1.296 0.000 0.892 606 L HN -0.004 nan 8.230 nan 0.000 0.431 607 N N -0.304 118.156 118.700 -0.400 0.000 2.036 607 N HA -0.185 4.556 4.740 0.001 0.000 0.195 607 N C 1.901 177.472 175.510 0.103 0.000 1.037 607 N CA 1.453 54.505 53.050 0.002 0.000 0.855 607 N CB -0.434 37.888 38.487 -0.275 0.000 1.033 607 N HN 0.291 nan 8.380 nan 0.000 0.423 608 L N 0.372 121.564 121.223 -0.053 0.000 2.201 608 L HA -0.086 4.255 4.340 0.001 0.000 0.212 608 L C 1.989 178.915 176.870 0.095 0.000 1.105 608 L CA 0.942 55.766 54.840 -0.027 0.000 0.775 608 L CB -0.554 41.423 42.059 -0.136 0.000 0.913 608 L HN 0.178 nan 8.230 nan 0.000 0.440 609 T N -1.553 113.103 114.554 0.170 0.000 2.894 609 T HA -0.164 4.187 4.350 0.001 0.000 0.258 609 T C 1.673 176.726 174.700 0.588 0.000 1.043 609 T CA 0.756 63.072 62.100 0.360 0.000 1.141 609 T CB -0.320 68.735 68.868 0.310 0.000 0.873 609 T HN 0.257 nan 8.240 nan 0.000 0.449 610 Y N 3.132 123.725 120.300 0.488 0.000 2.053 610 Y HA -0.088 4.462 4.550 0.001 0.000 0.277 610 Y C 1.219 177.376 175.900 0.429 0.000 1.159 610 Y CA 0.978 59.383 58.100 0.508 0.000 1.125 610 Y CB -0.462 38.350 38.460 0.586 0.000 0.969 610 Y HN 0.034 nan 8.280 nan 0.000 0.492 611 R N -1.253 119.299 120.500 0.086 0.000 2.783 611 R HA 0.158 4.498 4.340 0.001 0.000 0.276 611 R C 0.838 177.245 176.300 0.177 0.000 1.223 611 R CA 0.566 56.591 56.100 -0.125 0.000 1.173 611 R CB -0.047 30.189 30.300 -0.107 0.000 1.157 611 R HN 0.615 nan 8.270 nan 0.000 0.600 612 H N -1.319 117.762 119.070 0.017 0.000 4.836 612 H HA -0.244 4.313 4.556 0.001 0.000 0.067 612 H C -0.539 174.748 175.328 -0.068 0.000 0.594 612 H CA 1.913 57.934 56.048 -0.045 0.000 0.978 612 H CB -0.974 28.719 29.762 -0.115 0.000 0.436 612 H HN 0.606 nan 8.280 nan 0.000 0.790 613 H N 1.956 121.082 119.070 0.094 0.000 2.741 613 H HA 0.195 4.752 4.556 0.001 0.000 0.282 613 H C 1.014 176.215 175.328 -0.211 0.000 1.122 613 H CA 0.150 56.180 56.048 -0.030 0.000 1.293 613 H CB 1.302 31.132 29.762 0.112 0.000 1.415 613 H HN 0.336 nan 8.280 nan 0.000 0.472 614 K N 2.570 122.832 120.400 -0.230 0.000 2.218 614 K HA -0.148 4.173 4.320 0.001 0.000 0.205 614 K C 2.044 178.321 176.600 -0.539 0.000 1.046 614 K CA 1.144 57.084 56.287 -0.579 0.000 0.933 614 K CB -0.036 32.305 32.500 -0.264 0.000 0.728 614 K HN 0.601 nan 8.250 nan 0.000 0.454 615 A N 0.493 123.158 122.820 -0.258 0.000 1.978 615 A HA -0.170 4.150 4.320 0.001 0.000 0.220 615 A C 1.693 179.134 177.584 -0.239 0.000 1.170 615 A CA 1.600 53.510 52.037 -0.212 0.000 0.636 615 A CB -0.366 18.549 19.000 -0.141 0.000 0.810 615 A HN 0.156 nan 8.150 nan 0.000 0.448 616 M N -0.466 119.005 119.600 -0.215 0.000 2.618 616 M HA 0.074 4.554 4.480 0.001 0.000 0.240 616 M C 0.899 177.231 176.300 0.054 0.000 1.123 616 M CA 1.247 56.504 55.300 -0.072 0.000 1.060 616 M CB -1.117 31.559 32.600 0.128 0.000 1.535 616 M HN 0.891 nan 8.290 nan 0.000 0.507 617 H N -3.952 115.075 119.070 -0.071 0.000 3.881 617 H HA 0.319 4.875 4.556 0.001 0.000 0.266 617 H C 1.260 176.520 175.328 -0.113 0.000 1.153 617 H CA -0.061 55.931 56.048 -0.094 0.000 1.181 617 H CB -0.315 29.253 29.762 -0.323 0.000 1.555 617 H HN 0.225 nan 8.280 nan 0.000 0.800 618 E N 0.578 120.640 120.200 -0.230 0.000 2.076 618 E HA 0.036 4.386 4.350 0.001 0.000 0.190 618 E C -0.016 176.551 176.600 -0.056 0.000 0.979 618 E CA 0.661 57.011 56.400 -0.083 0.000 0.807 618 E CB 0.370 29.985 29.700 -0.142 0.000 0.761 618 E HN 0.209 nan 8.360 nan 0.000 0.454 619 L N 1.809 122.964 121.223 -0.113 0.000 2.999 619 L HA 0.148 4.489 4.340 0.001 0.000 0.263 619 L C 0.091 176.837 176.870 -0.206 0.000 1.320 619 L CA 0.135 54.919 54.840 -0.093 0.000 0.913 619 L CB 0.834 42.891 42.059 -0.003 0.000 1.296 619 L HN -0.039 nan 8.230 nan 0.000 0.546 620 D N 0.188 120.313 120.400 -0.458 0.000 2.144 620 D HA -0.147 4.494 4.640 0.001 0.000 0.199 620 D C 1.459 177.402 176.300 -0.594 0.000 0.984 620 D CA 1.745 55.329 54.000 -0.694 0.000 0.834 620 D CB 0.123 40.217 40.800 -1.178 0.000 0.955 620 D HN 0.407 nan 8.370 nan 0.000 0.465 621 F N -0.208 119.744 119.950 0.002 0.000 2.660 621 F HA 0.181 4.709 4.527 0.001 0.000 0.302 621 F C 0.704 176.611 175.800 0.179 0.000 1.103 621 F CA -0.537 57.470 58.000 0.011 0.000 1.340 621 F CB 0.598 39.520 39.000 -0.130 0.000 1.048 621 F HN -0.301 nan 8.300 nan 0.000 0.551 622 D N 1.758 122.309 120.400 0.251 0.000 2.492 622 D HA 0.178 4.819 4.640 0.001 0.000 0.248 622 D C -1.849 174.505 176.300 0.090 0.000 1.101 622 D CA -2.324 51.766 54.000 0.150 0.000 0.840 622 D CB 2.398 43.260 40.800 0.103 0.000 1.209 622 D HN -0.165 nan 8.370 nan 0.000 0.524 623 P HA -0.208 nan 4.420 nan 0.000 0.221 623 P C 1.197 178.464 177.300 -0.055 0.000 1.141 623 P CA 0.760 63.632 63.100 -0.381 0.000 0.794 623 P CB 0.084 31.412 31.700 -0.621 0.000 0.764 624 Y N 1.400 121.630 120.300 -0.116 0.000 2.439 624 Y HA 0.105 4.655 4.550 0.001 0.000 0.292 624 Y C 2.396 178.251 175.900 -0.074 0.000 1.130 624 Y CA 1.419 59.470 58.100 -0.081 0.000 1.254 624 Y CB -0.867 37.553 38.460 -0.067 0.000 1.000 624 Y HN -0.085 nan 8.280 nan 0.000 0.554 625 G N -1.231 107.531 108.800 -0.064 0.000 2.813 625 G HA2 -0.050 3.911 3.960 0.001 0.000 0.209 625 G HA3 -0.050 3.911 3.960 0.001 0.000 0.209 625 G C -0.314 174.476 174.900 -0.184 0.000 1.150 625 G CA 0.012 45.017 45.100 -0.158 0.000 0.785 625 G HN 0.309 nan 8.290 nan 0.000 0.535 626 F N -0.329 119.425 119.950 -0.327 0.000 2.591 626 F HA 0.640 5.168 4.527 0.001 0.000 0.309 626 F C -1.103 174.454 175.800 -0.405 0.000 1.098 626 F CA -1.163 56.559 58.000 -0.462 0.000 0.937 626 F CB 2.200 40.830 39.000 -0.616 0.000 1.250 626 F HN 0.003 nan 8.300 nan 0.000 0.447 627 E N 4.775 124.441 120.200 -0.889 0.000 2.354 627 E HA 0.181 4.532 4.350 0.001 0.000 0.283 627 E C -2.038 174.197 176.600 -0.608 0.000 0.938 627 E CA -0.653 55.476 56.400 -0.453 0.000 0.777 627 E CB 1.164 30.729 29.700 -0.225 0.000 1.222 627 E HN 0.688 nan 8.360 nan 0.000 0.423 628 W N 4.613 125.892 121.300 -0.034 0.000 2.218 628 W HA 0.245 4.905 4.660 0.001 0.000 0.326 628 W C 1.043 177.572 176.519 0.017 0.000 1.276 628 W CA -0.431 56.950 57.345 0.061 0.000 1.210 628 W CB 0.747 30.334 29.460 0.212 0.000 1.143 628 W HN 0.543 nan 8.180 nan 0.000 0.563 629 L N 2.336 123.734 121.223 0.291 0.000 2.445 629 L HA 0.211 4.552 4.340 0.001 0.000 0.207 629 L C 0.041 176.939 176.870 0.047 0.000 1.053 629 L CA 0.432 55.340 54.840 0.113 0.000 0.841 629 L CB -0.109 41.949 42.059 -0.002 0.000 1.074 629 L HN 0.100 nan 8.230 nan 0.000 0.479 630 V N 0.358 120.348 119.914 0.128 0.000 2.498 630 V HA 0.160 4.280 4.120 0.001 0.000 0.283 630 V C 0.343 176.543 176.094 0.177 0.000 1.015 630 V CA -0.116 62.216 62.300 0.054 0.000 0.867 630 V CB 2.298 34.108 31.823 -0.023 0.000 1.025 630 V HN -0.069 nan 8.190 nan 0.000 0.441 631 V N 3.023 122.968 119.914 0.051 0.000 3.660 631 V HA 0.140 4.260 4.120 0.001 0.000 0.276 631 V C 1.171 177.242 176.094 -0.039 0.000 1.317 631 V CA 1.298 63.419 62.300 -0.299 0.000 1.097 631 V CB 0.544 31.893 31.823 -0.790 0.000 0.863 631 V HN 1.010 nan 8.190 nan 0.000 0.438 632 D N -1.300 119.120 120.400 0.034 0.000 2.538 632 D HA 0.096 4.737 4.640 0.001 0.000 0.231 632 D C 0.294 176.532 176.300 -0.103 0.000 1.229 632 D CA -0.228 53.737 54.000 -0.058 0.000 0.828 632 D CB -0.071 40.716 40.800 -0.021 0.000 1.035 632 D HN 0.301 nan 8.370 nan 0.000 0.495 633 D N 1.462 121.873 120.400 0.018 0.000 2.619 633 D HA 0.093 4.733 4.640 0.001 0.000 0.224 633 D C 0.915 177.156 176.300 -0.099 0.000 1.133 633 D CA -0.088 53.945 54.000 0.056 0.000 1.017 633 D CB 0.468 41.419 40.800 0.251 0.000 1.077 633 D HN 0.078 nan 8.370 nan 0.000 0.503 634 K N 0.906 121.063 120.400 -0.404 0.000 2.057 634 K HA -0.118 4.202 4.320 0.001 0.000 0.206 634 K C 1.873 178.376 176.600 -0.162 0.000 1.050 634 K CA 0.832 56.827 56.287 -0.486 0.000 0.935 634 K CB 0.191 32.399 32.500 -0.486 0.000 0.715 634 K HN 0.308 nan 8.250 nan 0.000 0.439 635 E N 1.391 121.521 120.200 -0.118 0.000 2.204 635 E HA -0.218 4.132 4.350 0.001 0.000 0.195 635 E C 1.379 177.966 176.600 -0.022 0.000 0.990 635 E CA 1.357 57.708 56.400 -0.081 0.000 0.821 635 E CB -0.146 29.529 29.700 -0.042 0.000 0.750 635 E HN 0.298 nan 8.360 nan 0.000 0.477 636 R N -0.087 120.436 120.500 0.040 0.000 2.437 636 R HA 0.199 4.540 4.340 0.001 0.000 0.257 636 R C -0.004 176.356 176.300 0.101 0.000 0.927 636 R CA 0.426 56.571 56.100 0.076 0.000 1.078 636 R CB 0.468 30.849 30.300 0.134 0.000 1.161 636 R HN -0.038 nan 8.270 nan 0.000 0.529 637 S N 0.451 116.244 115.700 0.155 0.000 3.682 637 S HA -0.104 4.367 4.470 0.001 0.000 0.354 637 S C -0.277 174.468 174.600 0.243 0.000 1.034 637 S CA 0.499 58.864 58.200 0.274 0.000 1.084 637 S CB -1.080 62.277 63.200 0.261 0.000 0.903 637 S HN 0.115 nan 8.310 nan 0.000 0.470 638 V N 1.765 121.796 119.914 0.195 0.000 2.417 638 V HA 0.638 4.759 4.120 0.001 0.000 0.291 638 V C -0.121 176.068 176.094 0.159 0.000 1.024 638 V CA -0.536 61.796 62.300 0.053 0.000 0.861 638 V CB 1.654 33.372 31.823 -0.176 0.000 0.985 638 V HN 0.349 nan 8.190 nan 0.000 0.436 639 L N 6.852 128.173 121.223 0.163 0.000 2.406 639 L HA 0.649 4.989 4.340 0.001 0.000 0.272 639 L C -0.565 176.480 176.870 0.292 0.000 0.980 639 L CA 0.046 55.075 54.840 0.315 0.000 0.831 639 L CB 1.791 44.134 42.059 0.473 0.000 1.253 639 L HN 0.437 nan 8.230 nan 0.000 0.406 640 I N 3.487 124.190 120.570 0.222 0.000 2.569 640 I HA 0.701 4.872 4.170 0.001 0.000 0.296 640 I C -0.852 175.378 176.117 0.188 0.000 1.028 640 I CA -0.712 60.565 61.300 -0.039 0.000 1.082 640 I CB 1.879 39.622 38.000 -0.427 0.000 1.264 640 I HN 0.506 nan 8.210 nan 0.000 0.429 641 F N 3.963 123.840 119.950 -0.122 0.000 2.711 641 F HA 0.819 5.347 4.527 0.001 0.000 0.313 641 F C -1.743 173.737 175.800 -0.533 0.000 1.141 641 F CA -1.219 56.531 58.000 -0.416 0.000 0.941 641 F CB 0.842 39.289 39.000 -0.921 0.000 1.349 641 F HN 0.120 nan 8.300 nan 0.000 0.464 642 V N 2.019 121.795 119.914 -0.231 0.000 2.815 642 V HA 0.706 4.827 4.120 0.001 0.000 0.314 642 V C -0.673 175.226 176.094 -0.324 0.000 1.064 642 V CA -0.750 61.404 62.300 -0.243 0.000 0.952 642 V CB 2.005 33.689 31.823 -0.232 0.000 1.020 642 V HN 0.763 nan 8.190 nan 0.000 0.439 643 R N 2.956 123.313 120.500 -0.238 0.000 2.711 643 R HA 0.657 4.998 4.340 0.001 0.000 0.284 643 R C -0.725 175.431 176.300 -0.240 0.000 0.968 643 R CA -0.749 55.196 56.100 -0.258 0.000 0.924 643 R CB 1.875 32.047 30.300 -0.214 0.000 1.162 643 R HN 0.746 nan 8.270 nan 0.000 0.465 644 R N 1.182 121.523 120.500 -0.266 0.000 2.604 644 R HA 0.225 4.565 4.340 0.001 0.000 0.281 644 R C -0.894 175.279 176.300 -0.211 0.000 1.020 644 R CA -0.567 55.369 56.100 -0.273 0.000 0.899 644 R CB 1.229 31.249 30.300 -0.466 0.000 1.205 644 R HN 0.705 nan 8.270 nan 0.000 0.450 645 D N 2.226 122.542 120.400 -0.139 0.000 2.529 645 D HA 0.153 4.794 4.640 0.001 0.000 0.273 645 D C 0.200 176.529 176.300 0.048 0.000 1.197 645 D CA -0.501 53.452 54.000 -0.078 0.000 1.070 645 D CB 0.732 41.473 40.800 -0.099 0.000 1.134 645 D HN 0.508 nan 8.370 nan 0.000 0.590 646 K N -0.864 119.576 120.400 0.067 0.000 2.147 646 K HA -0.140 4.180 4.320 0.001 0.000 0.205 646 K C 1.611 178.287 176.600 0.126 0.000 1.049 646 K CA 1.241 57.602 56.287 0.123 0.000 0.936 646 K CB -0.052 32.478 32.500 0.049 0.000 0.722 646 K HN 0.361 nan 8.250 nan 0.000 0.446 647 E N -0.459 119.783 120.200 0.069 0.000 2.347 647 E HA -0.055 4.296 4.350 0.001 0.000 0.196 647 E C 0.919 177.569 176.600 0.083 0.000 1.008 647 E CA 0.901 57.332 56.400 0.052 0.000 0.852 647 E CB 0.229 29.935 29.700 0.011 0.000 0.783 647 E HN 0.444 nan 8.360 nan 0.000 0.505 648 G N 0.129 108.998 108.800 0.115 0.000 2.176 648 G HA2 -0.244 3.716 3.960 0.001 0.000 0.232 648 G HA3 -0.244 3.716 3.960 0.001 0.000 0.232 648 G C -0.186 174.710 174.900 -0.007 0.000 0.986 648 G CA -0.019 45.135 45.100 0.090 0.000 0.643 648 G HN 0.190 nan 8.290 nan 0.000 0.522 649 N N 1.832 120.521 118.700 -0.018 0.000 2.513 649 N HA 0.386 5.127 4.740 0.001 0.000 0.268 649 N C 0.244 175.730 175.510 -0.040 0.000 1.180 649 N CA 0.703 53.736 53.050 -0.028 0.000 0.948 649 N CB 0.773 39.242 38.487 -0.031 0.000 1.083 649 N HN 0.828 nan 8.380 nan 0.000 0.455 650 E N 1.223 121.434 120.200 0.018 0.000 2.277 650 E HA 0.590 4.940 4.350 0.001 0.000 0.266 650 E C -0.725 175.967 176.600 0.154 0.000 0.901 650 E CA -0.776 55.642 56.400 0.030 0.000 0.782 650 E CB 1.835 31.537 29.700 0.003 0.000 1.228 650 E HN 0.373 nan 8.360 nan 0.000 0.424 651 I N 2.622 123.212 120.570 0.033 0.000 2.406 651 I HA 0.300 4.471 4.170 0.001 0.000 0.290 651 I C -0.235 175.842 176.117 -0.067 0.000 0.999 651 I CA -0.984 60.349 61.300 0.054 0.000 1.124 651 I CB 1.432 39.361 38.000 -0.117 0.000 1.289 651 I HN 0.457 nan 8.210 nan 0.000 0.441 652 I N 6.736 127.282 120.570 -0.041 0.000 2.496 652 I HA 0.170 4.340 4.170 0.001 0.000 0.285 652 I C -0.345 175.619 176.117 -0.255 0.000 1.080 652 I CA -0.322 60.842 61.300 -0.226 0.000 1.404 652 I CB 1.031 38.846 38.000 -0.310 0.000 1.403 652 I HN 0.184 nan 8.210 nan 0.000 0.539 653 V N 6.266 125.895 119.914 -0.475 0.000 2.376 653 V HA 0.619 4.740 4.120 0.001 0.000 0.287 653 V C 0.053 175.858 176.094 -0.482 0.000 1.015 653 V CA -0.464 61.495 62.300 -0.569 0.000 0.834 653 V CB 1.381 32.462 31.823 -1.236 0.000 1.001 653 V HN 0.841 nan 8.190 nan 0.000 0.428 654 A N 3.717 126.409 122.820 -0.214 0.000 2.330 654 A HA 0.875 5.196 4.320 0.001 0.000 0.313 654 A C -0.268 177.266 177.584 -0.084 0.000 1.124 654 A CA -0.445 51.468 52.037 -0.206 0.000 0.774 654 A CB 1.575 20.401 19.000 -0.290 0.000 1.198 654 A HN 0.647 nan 8.150 nan 0.000 0.465 655 S N 1.427 117.096 115.700 -0.051 0.000 2.502 655 S HA 0.444 4.915 4.470 0.001 0.000 0.304 655 S C -0.433 173.961 174.600 -0.343 0.000 1.097 655 S CA -0.681 57.410 58.200 -0.181 0.000 1.045 655 S CB 1.223 64.420 63.200 -0.006 0.000 1.019 655 S HN 0.784 nan 8.310 nan 0.000 0.481 656 N N 1.908 120.316 118.700 -0.486 0.000 2.446 656 N HA 0.378 5.118 4.740 0.001 0.000 0.265 656 N C -0.977 174.248 175.510 -0.475 0.000 0.975 656 N CA -0.424 52.419 53.050 -0.345 0.000 0.928 656 N CB 0.457 38.807 38.487 -0.229 0.000 1.160 656 N HN 0.490 nan 8.380 nan 0.000 0.495 657 F N 1.894 121.850 119.950 0.010 0.000 2.668 657 F HA 0.143 4.670 4.527 0.001 0.000 0.297 657 F C 0.933 176.728 175.800 -0.008 0.000 1.124 657 F CA -0.265 57.748 58.000 0.022 0.000 1.353 657 F CB 0.574 39.634 39.000 0.100 0.000 0.992 657 F HN 0.337 nan 8.300 nan 0.000 0.524 658 T N -3.373 111.227 114.554 0.077 0.000 2.906 658 T HA 0.347 4.698 4.350 0.001 0.000 0.295 658 T C -2.390 172.340 174.700 0.050 0.000 1.075 658 T CA -2.307 59.823 62.100 0.051 0.000 1.005 658 T CB 2.371 71.258 68.868 0.031 0.000 1.136 658 T HN -0.227 nan 8.240 nan 0.000 0.498 659 P HA 0.158 nan 4.420 nan 0.000 0.253 659 P C 0.011 177.348 177.300 0.062 0.000 1.281 659 P CA -0.135 63.031 63.100 0.109 0.000 0.792 659 P CB -0.214 31.565 31.700 0.132 0.000 1.193 660 V N 4.277 124.212 119.914 0.036 0.000 2.408 660 V HA 0.179 4.299 4.120 0.001 0.000 0.267 660 V C -1.772 174.325 176.094 0.005 0.000 1.047 660 V CA -1.857 60.459 62.300 0.025 0.000 0.937 660 V CB 0.633 32.472 31.823 0.027 0.000 0.999 660 V HN 0.099 nan 8.190 nan 0.000 0.472 661 P HA 0.250 nan 4.420 nan 0.000 0.276 661 P C -0.839 176.371 177.300 -0.150 0.000 1.230 661 P CA -0.460 62.584 63.100 -0.094 0.000 0.776 661 P CB 0.889 32.558 31.700 -0.051 0.000 0.888 662 R N 2.953 123.317 120.500 -0.228 0.000 2.288 662 R HA 0.417 4.758 4.340 0.001 0.000 0.326 662 R C 0.241 176.430 176.300 -0.185 0.000 0.959 662 R CA -0.536 55.507 56.100 -0.095 0.000 0.834 662 R CB 0.499 30.809 30.300 0.017 0.000 1.157 662 R HN 0.635 nan 8.270 nan 0.000 0.470 663 H N 1.602 120.757 119.070 0.142 0.000 2.499 663 H HA 0.179 4.736 4.556 0.001 0.000 0.340 663 H C -0.032 175.384 175.328 0.146 0.000 1.148 663 H CA -0.316 55.809 56.048 0.129 0.000 1.215 663 H CB 1.533 31.346 29.762 0.086 0.000 1.529 663 H HN 0.475 nan 8.280 nan 0.000 0.510 664 D N 0.804 121.356 120.400 0.253 0.000 2.772 664 D HA -0.283 4.357 4.640 0.001 0.000 0.233 664 D C -0.320 176.080 176.300 0.167 0.000 1.143 664 D CA 0.729 54.832 54.000 0.171 0.000 0.700 664 D CB -1.723 39.151 40.800 0.124 0.000 1.076 664 D HN 0.495 nan 8.370 nan 0.000 0.430 665 Y N 1.354 121.729 120.300 0.126 0.000 2.531 665 Y HA 0.217 4.768 4.550 0.001 0.000 0.347 665 Y C 0.783 176.800 175.900 0.196 0.000 1.024 665 Y CA -0.260 57.937 58.100 0.162 0.000 1.306 665 Y CB 0.451 39.013 38.460 0.170 0.000 1.149 665 Y HN -0.041 nan 8.280 nan 0.000 0.527 666 R N 6.866 127.286 120.500 -0.134 0.000 2.407 666 R HA 0.548 4.889 4.340 0.001 0.000 0.303 666 R C -1.725 174.618 176.300 0.072 0.000 0.981 666 R CA -0.528 55.525 56.100 -0.079 0.000 0.905 666 R CB 0.683 30.925 30.300 -0.097 0.000 1.099 666 R HN 0.675 nan 8.270 nan 0.000 0.459 667 F N -0.004 120.008 119.950 0.103 0.000 2.654 667 F HA 0.569 5.097 4.527 0.001 0.000 0.308 667 F C -0.326 175.539 175.800 0.109 0.000 1.108 667 F CA -1.258 56.840 58.000 0.164 0.000 0.957 667 F CB 0.790 39.817 39.000 0.045 0.000 1.309 667 F HN 0.549 nan 8.300 nan 0.000 0.446 668 G N 1.719 110.706 108.800 0.312 0.000 2.483 668 G HA2 0.527 4.487 3.960 0.001 0.000 0.248 668 G HA3 0.527 4.487 3.960 0.001 0.000 0.248 668 G C -0.722 174.273 174.900 0.160 0.000 1.248 668 G CA -0.534 44.670 45.100 0.174 0.000 0.838 668 G HN 1.071 nan 8.290 nan 0.000 0.566 669 I N -1.314 119.291 120.570 0.059 0.000 3.108 669 I HA 0.531 4.702 4.170 0.001 0.000 0.312 669 I C 0.014 176.160 176.117 0.048 0.000 1.095 669 I CA -1.434 59.873 61.300 0.011 0.000 1.000 669 I CB 2.305 40.210 38.000 -0.158 0.000 1.229 669 I HN 0.285 nan 8.210 nan 0.000 0.454 670 N N 0.750 119.472 118.700 0.036 0.000 2.439 670 N HA 0.049 4.789 4.740 0.001 0.000 0.176 670 N C -0.282 175.279 175.510 0.086 0.000 1.029 670 N CA 0.776 53.865 53.050 0.065 0.000 0.886 670 N CB 0.131 38.644 38.487 0.043 0.000 1.057 670 N HN 0.642 nan 8.380 nan 0.000 0.437 671 Q N 2.024 121.923 119.800 0.164 0.000 2.560 671 Q HA 0.341 4.682 4.340 0.001 0.000 0.238 671 Q C -2.411 173.747 176.000 0.263 0.000 1.079 671 Q CA -1.836 54.083 55.803 0.194 0.000 0.866 671 Q CB 1.724 30.608 28.738 0.244 0.000 1.153 671 Q HN 0.166 nan 8.270 nan 0.000 0.530 672 P HA 0.126 nan 4.420 nan 0.000 0.270 672 P C 0.445 177.734 177.300 -0.017 0.000 1.227 672 P CA 0.589 63.687 63.100 -0.003 0.000 0.788 672 P CB 0.903 32.384 31.700 -0.365 0.000 0.926 673 G N 0.195 108.883 108.800 -0.186 0.000 2.250 673 G HA2 -0.033 3.927 3.960 0.001 0.000 0.252 673 G HA3 -0.033 3.927 3.960 0.001 0.000 0.252 673 G C -1.475 173.068 174.900 -0.595 0.000 1.325 673 G CA -0.770 44.069 45.100 -0.436 0.000 1.091 673 G HN 0.505 nan 8.290 nan 0.000 0.476 674 K N -0.356 119.805 120.400 -0.399 0.000 2.201 674 K HA 0.524 4.844 4.320 0.001 0.000 0.278 674 K C -1.310 175.107 176.600 -0.305 0.000 1.027 674 K CA -0.139 56.029 56.287 -0.199 0.000 0.909 674 K CB 1.340 33.800 32.500 -0.066 0.000 1.062 674 K HN 0.409 nan 8.250 nan 0.000 0.465 675 W N 2.144 123.417 121.300 -0.045 0.000 2.785 675 W HA 0.430 5.090 4.660 0.001 0.000 0.333 675 W C -0.150 176.386 176.519 0.029 0.000 1.062 675 W CA -0.683 56.660 57.345 -0.004 0.000 1.233 675 W CB 1.563 31.027 29.460 0.007 0.000 1.413 675 W HN 0.357 nan 8.180 nan 0.000 0.489 676 R N 2.120 122.758 120.500 0.229 0.000 2.686 676 R HA 0.354 4.694 4.340 0.001 0.000 0.283 676 R C -0.531 175.876 176.300 0.178 0.000 0.978 676 R CA -0.682 55.517 56.100 0.165 0.000 0.897 676 R CB 1.678 32.032 30.300 0.091 0.000 1.192 676 R HN 0.603 nan 8.270 nan 0.000 0.457 677 E N 3.687 123.977 120.200 0.150 0.000 2.392 677 E HA 0.043 4.394 4.350 0.001 0.000 0.264 677 E C 0.756 177.427 176.600 0.118 0.000 1.024 677 E CA 0.275 56.759 56.400 0.140 0.000 0.903 677 E CB 0.825 30.587 29.700 0.105 0.000 0.963 677 E HN 0.591 nan 8.360 nan 0.000 0.432 678 I N -0.132 120.518 120.570 0.133 0.000 4.403 678 I HA 0.312 4.483 4.170 0.001 0.000 0.331 678 I C -0.130 176.022 176.117 0.059 0.000 1.327 678 I CA -0.217 61.156 61.300 0.122 0.000 1.175 678 I CB 0.628 38.734 38.000 0.177 0.000 1.165 678 I HN 0.222 nan 8.210 nan 0.000 0.413 679 L N 1.528 122.752 121.223 0.002 0.000 2.526 679 L HA 0.522 4.863 4.340 0.001 0.000 0.263 679 L C -1.766 175.020 176.870 -0.140 0.000 0.943 679 L CA -0.186 54.539 54.840 -0.192 0.000 0.859 679 L CB 2.157 43.786 42.059 -0.718 0.000 1.313 679 L HN 0.254 nan 8.230 nan 0.000 0.406 680 N N 1.434 120.115 118.700 -0.031 0.000 2.594 680 N HA 0.154 4.895 4.740 0.001 0.000 0.280 680 N C 0.434 176.035 175.510 0.151 0.000 1.156 680 N CA 0.243 53.315 53.050 0.036 0.000 0.831 680 N CB 1.401 39.931 38.487 0.072 0.000 1.379 680 N HN 0.739 nan 8.380 nan 0.000 0.536 681 T N -0.493 114.084 114.554 0.039 0.000 3.155 681 T HA -0.101 4.250 4.350 0.001 0.000 0.264 681 T C 0.913 175.738 174.700 0.208 0.000 1.160 681 T CA 0.975 63.109 62.100 0.056 0.000 1.075 681 T CB -0.055 68.773 68.868 -0.066 0.000 0.921 681 T HN 0.398 nan 8.240 nan 0.000 0.533 682 D N 1.133 121.653 120.400 0.200 0.000 2.339 682 D HA 0.168 4.809 4.640 0.001 0.000 0.217 682 D C 0.732 177.179 176.300 0.245 0.000 1.050 682 D CA -0.070 54.071 54.000 0.236 0.000 0.856 682 D CB -0.050 40.867 40.800 0.195 0.000 0.922 682 D HN 0.417 nan 8.370 nan 0.000 0.518 683 S N 0.081 115.916 115.700 0.225 0.000 2.554 683 S HA -0.099 4.372 4.470 0.001 0.000 0.290 683 S C 1.899 176.542 174.600 0.072 0.000 1.309 683 S CA -0.081 58.167 58.200 0.080 0.000 1.047 683 S CB 0.276 63.406 63.200 -0.116 0.000 0.828 683 S HN 0.290 nan 8.310 nan 0.000 0.509 684 M N 2.729 122.343 119.600 0.023 0.000 2.202 684 M HA -0.043 4.437 4.480 0.001 0.000 0.262 684 M C 0.949 177.204 176.300 -0.075 0.000 1.063 684 M CA 1.345 56.646 55.300 0.001 0.000 1.097 684 M CB -0.849 31.734 32.600 -0.028 0.000 1.382 684 M HN 0.735 nan 8.290 nan 0.000 0.413 685 H N -0.075 118.827 119.070 -0.280 0.000 2.771 685 H HA 0.040 4.596 4.556 0.001 0.000 0.364 685 H C -0.389 174.735 175.328 -0.340 0.000 1.133 685 H CA 1.329 57.130 56.048 -0.413 0.000 1.423 685 H CB 0.184 29.543 29.762 -0.671 0.000 1.425 685 H HN 0.386 nan 8.280 nan 0.000 0.606 686 Y N 0.348 120.668 120.300 0.033 0.000 4.897 686 Y HA -0.334 4.217 4.550 0.001 0.000 0.263 686 Y C 1.013 177.130 175.900 0.361 0.000 0.945 686 Y CA 1.127 59.339 58.100 0.185 0.000 1.858 686 Y CB -2.947 35.596 38.460 0.139 0.000 1.296 686 Y HN 0.995 nan 8.280 nan 0.000 0.490 687 H N -2.415 116.778 119.070 0.206 0.000 2.886 687 H HA 0.096 4.652 4.556 0.001 0.000 0.294 687 H C 1.167 176.766 175.328 0.451 0.000 1.246 687 H CA 0.727 56.930 56.048 0.259 0.000 1.142 687 H CB -1.138 28.767 29.762 0.238 0.000 1.358 687 H HN 0.855 nan 8.280 nan 0.000 0.406 688 G N -0.610 108.459 108.800 0.449 0.000 2.543 688 G HA2 0.387 4.348 3.960 0.001 0.000 0.290 688 G HA3 0.387 4.348 3.960 0.001 0.000 0.290 688 G C 1.038 176.255 174.900 0.528 0.000 1.310 688 G CA -0.168 45.256 45.100 0.540 0.000 1.025 688 G HN 0.485 nan 8.290 nan 0.000 0.502 689 S N -1.276 114.732 115.700 0.514 0.000 2.603 689 S HA -0.022 4.449 4.470 0.001 0.000 0.220 689 S C 1.070 175.752 174.600 0.138 0.000 0.967 689 S CA 0.766 59.096 58.200 0.215 0.000 0.920 689 S CB -0.563 62.658 63.200 0.035 0.000 0.773 689 S HN 0.805 nan 8.310 nan 0.000 0.529 690 N N 0.403 119.199 118.700 0.160 0.000 2.754 690 N HA -0.170 4.571 4.740 0.001 0.000 0.248 690 N C -0.079 175.485 175.510 0.090 0.000 1.093 690 N CA 0.407 53.517 53.050 0.101 0.000 0.699 690 N CB -1.367 37.155 38.487 0.059 0.000 1.016 690 N HN 0.736 nan 8.380 nan 0.000 0.552 691 A N -0.094 122.792 122.820 0.110 0.000 2.282 691 A HA 0.881 5.201 4.320 0.001 0.000 0.319 691 A C 0.897 178.539 177.584 0.097 0.000 1.121 691 A CA 0.589 52.690 52.037 0.107 0.000 0.836 691 A CB 1.751 20.817 19.000 0.110 0.000 1.146 691 A HN 0.644 nan 8.150 nan 0.000 0.494 692 G N 0.199 109.060 108.800 0.102 0.000 2.351 692 G HA2 0.340 4.301 3.960 0.001 0.000 0.279 692 G HA3 0.340 4.301 3.960 0.001 0.000 0.279 692 G C -1.677 173.287 174.900 0.106 0.000 1.297 692 G CA -0.891 44.263 45.100 0.090 0.000 0.886 692 G HN 0.820 nan 8.290 nan 0.000 0.493 693 N N 0.043 118.804 118.700 0.102 0.000 2.424 693 N HA 0.528 5.269 4.740 0.001 0.000 0.271 693 N C 0.237 175.802 175.510 0.092 0.000 0.985 693 N CA 0.178 53.294 53.050 0.109 0.000 0.921 693 N CB 1.971 40.533 38.487 0.125 0.000 1.149 693 N HN 0.838 nan 8.380 nan 0.000 0.492 694 G N 1.175 110.024 108.800 0.082 0.000 2.439 694 G HA2 0.413 4.373 3.960 0.001 0.000 0.298 694 G HA3 0.413 4.373 3.960 0.001 0.000 0.298 694 G C 0.743 175.682 174.900 0.064 0.000 1.044 694 G CA -0.410 44.728 45.100 0.064 0.000 1.168 694 G HN 0.792 nan 8.290 nan 0.000 0.433 695 G N 2.489 111.325 108.800 0.061 0.000 2.186 695 G HA2 0.143 4.103 3.960 0.001 0.000 0.229 695 G HA3 0.143 4.103 3.960 0.001 0.000 0.229 695 G C 0.467 175.410 174.900 0.071 0.000 0.553 695 G CA 0.659 45.794 45.100 0.060 0.000 1.032 695 G HN 1.826 nan 8.290 nan 0.000 0.354 696 T N -2.036 112.573 114.554 0.091 0.000 1.117 696 T HA -0.082 4.269 4.350 0.001 0.000 0.715 696 T C 0.182 174.959 174.700 0.129 0.000 0.976 696 T CA 0.276 62.440 62.100 0.106 0.000 3.779 696 T CB -0.965 67.952 68.868 0.081 0.000 2.152 696 T HN 1.568 nan 8.240 nan 0.000 0.403 697 V N 5.405 125.418 119.914 0.165 0.000 2.495 697 V HA 0.513 4.633 4.120 0.001 0.000 0.298 697 V C 0.328 176.549 176.094 0.211 0.000 1.031 697 V CA -0.827 61.577 62.300 0.173 0.000 0.871 697 V CB 1.925 33.842 31.823 0.156 0.000 0.988 697 V HN 0.828 nan 8.190 nan 0.000 0.432 698 H N 3.009 122.152 119.070 0.122 0.000 2.467 698 H HA 0.449 5.006 4.556 0.001 0.000 0.331 698 H C 0.331 175.732 175.328 0.121 0.000 1.120 698 H CA -0.158 55.969 56.048 0.133 0.000 1.270 698 H CB 1.968 31.782 29.762 0.087 0.000 1.466 698 H HN 0.802 nan 8.280 nan 0.000 0.504 699 S N 3.940 119.684 115.700 0.074 0.000 2.596 699 S HA 0.160 4.630 4.470 0.001 0.000 0.260 699 S C -0.208 174.560 174.600 0.280 0.000 1.336 699 S CA -0.664 57.613 58.200 0.129 0.000 0.993 699 S CB 1.165 64.408 63.200 0.072 0.000 0.923 699 S HN 0.632 nan 8.310 nan 0.000 0.567 700 D N -0.065 120.437 120.400 0.171 0.000 2.433 700 D HA 0.234 4.874 4.640 0.001 0.000 0.236 700 D C -0.846 175.537 176.300 0.139 0.000 1.026 700 D CA -0.452 53.642 54.000 0.156 0.000 0.884 700 D CB 1.593 42.433 40.800 0.067 0.000 1.384 700 D HN 0.813 nan 8.370 nan 0.000 0.477 701 E N 1.700 121.943 120.200 0.072 0.000 1.892 701 E HA 0.272 4.623 4.350 0.001 0.000 0.271 701 E C -0.840 175.674 176.600 -0.142 0.000 1.146 701 E CA -0.108 56.181 56.400 -0.186 0.000 1.096 701 E CB -0.242 29.328 29.700 -0.216 0.000 1.155 701 E HN 0.315 nan 8.360 nan 0.000 0.458 702 I N 2.958 123.466 120.570 -0.103 0.000 2.468 702 I HA 0.302 4.473 4.170 0.001 0.000 0.284 702 I C 0.049 176.128 176.117 -0.065 0.000 1.038 702 I CA -0.939 60.319 61.300 -0.070 0.000 1.083 702 I CB 1.729 39.705 38.000 -0.041 0.000 1.223 702 I HN 0.362 nan 8.210 nan 0.000 0.443 703 A N 4.460 127.241 122.820 -0.065 0.000 2.567 703 A HA 0.386 4.707 4.320 0.001 0.000 0.240 703 A C 0.218 177.789 177.584 -0.022 0.000 1.053 703 A CA 0.676 52.690 52.037 -0.038 0.000 0.755 703 A CB 0.267 19.246 19.000 -0.035 0.000 0.978 703 A HN 0.653 nan 8.150 nan 0.000 0.507 704 S N 1.324 117.034 115.700 0.017 0.000 2.548 704 S HA 0.485 4.956 4.470 0.001 0.000 0.278 704 S C -0.377 174.310 174.600 0.145 0.000 1.150 704 S CA -0.535 57.683 58.200 0.029 0.000 0.907 704 S CB 0.349 63.596 63.200 0.078 0.000 1.108 704 S HN 1.020 nan 8.310 nan 0.000 0.459 705 H N 2.235 121.336 119.070 0.052 0.000 2.756 705 H HA -0.198 4.359 4.556 0.001 0.000 0.315 705 H C 1.210 176.583 175.328 0.075 0.000 1.210 705 H CA 1.391 57.487 56.048 0.080 0.000 1.150 705 H CB -1.493 28.346 29.762 0.128 0.000 1.463 705 H HN 1.649 nan 8.280 nan 0.000 0.427 706 G N 0.120 108.981 108.800 0.102 0.000 2.180 706 G HA2 -0.364 3.597 3.960 0.001 0.000 0.263 706 G HA3 -0.364 3.597 3.960 0.001 0.000 0.263 706 G C 0.443 175.399 174.900 0.093 0.000 0.989 706 G CA 0.956 46.108 45.100 0.086 0.000 0.692 706 G HN 0.606 nan 8.290 nan 0.000 0.526 707 R N -0.558 120.006 120.500 0.107 0.000 2.787 707 R HA 0.601 4.941 4.340 0.001 0.000 0.271 707 R C -0.157 176.182 176.300 0.066 0.000 0.993 707 R CA -0.790 55.370 56.100 0.101 0.000 0.993 707 R CB 1.212 31.590 30.300 0.130 0.000 1.155 707 R HN 0.259 nan 8.270 nan 0.000 0.486 708 Q N 2.183 122.024 119.800 0.069 0.000 2.347 708 Q HA 0.231 4.572 4.340 0.001 0.000 0.262 708 Q C -1.542 174.481 176.000 0.039 0.000 0.980 708 Q CA -0.302 55.490 55.803 -0.019 0.000 0.867 708 Q CB 0.594 29.327 28.738 -0.008 0.000 1.242 708 Q HN 0.712 nan 8.270 nan 0.000 0.453 709 H N -0.329 118.755 119.070 0.024 0.000 5.602 709 H HA -0.082 4.475 4.556 0.001 0.000 0.687 709 H C -1.395 173.919 175.328 -0.023 0.000 1.564 709 H CA 0.658 56.715 56.048 0.015 0.000 1.258 709 H CB -0.758 29.026 29.762 0.036 0.000 3.576 709 H HN 0.836 nan 8.280 nan 0.000 0.562 710 S N 1.288 117.016 115.700 0.047 0.000 2.656 710 S HA 0.681 5.152 4.470 0.001 0.000 0.273 710 S C -0.088 174.368 174.600 -0.239 0.000 1.168 710 S CA -0.987 57.134 58.200 -0.132 0.000 0.817 710 S CB 1.948 65.075 63.200 -0.121 0.000 1.146 710 S HN 0.442 nan 8.310 nan 0.000 0.475 711 L N 0.473 121.360 121.223 -0.561 0.000 2.435 711 L HA 0.408 4.749 4.340 0.001 0.000 0.195 711 L C 0.531 177.229 176.870 -0.286 0.000 1.072 711 L CA 0.741 55.297 54.840 -0.474 0.000 0.833 711 L CB -0.025 41.622 42.059 -0.687 0.000 1.081 711 L HN 1.048 nan 8.230 nan 0.000 0.485 712 S N 0.400 115.893 115.700 -0.345 0.000 3.667 712 S HA -0.100 4.370 4.470 0.001 0.000 0.640 712 S C -0.633 174.005 174.600 0.062 0.000 0.574 712 S CA -0.038 58.124 58.200 -0.062 0.000 1.432 712 S CB -1.147 62.039 63.200 -0.024 0.000 0.904 712 S HN 0.222 nan 8.310 nan 0.000 0.972 713 L N 2.835 124.182 121.223 0.206 0.000 2.257 713 L HA 0.693 5.034 4.340 0.001 0.000 0.257 713 L C 0.544 177.550 176.870 0.228 0.000 1.033 713 L CA -1.195 53.782 54.840 0.228 0.000 0.835 713 L CB 2.015 44.250 42.059 0.293 0.000 1.398 713 L HN 0.427 nan 8.230 nan 0.000 0.429 714 T N 2.402 117.055 114.554 0.165 0.000 2.744 714 T HA 0.503 4.854 4.350 0.001 0.000 0.291 714 T C -0.273 174.433 174.700 0.011 0.000 0.957 714 T CA -0.292 61.855 62.100 0.079 0.000 1.002 714 T CB 0.338 69.287 68.868 0.134 0.000 0.919 714 T HN 0.217 nan 8.240 nan 0.000 0.468 715 L N 6.517 127.694 121.223 -0.077 0.000 2.264 715 L HA 0.347 4.688 4.340 0.001 0.000 0.287 715 L C -2.226 174.571 176.870 -0.121 0.000 1.039 715 L CA -2.311 52.462 54.840 -0.112 0.000 0.829 715 L CB 0.925 42.854 42.059 -0.218 0.000 1.211 715 L HN 0.292 nan 8.230 nan 0.000 0.427 716 P HA -0.003 nan 4.420 nan 0.000 0.267 716 P C -2.377 174.918 177.300 -0.009 0.000 1.201 716 P CA -0.661 62.432 63.100 -0.011 0.000 0.775 716 P CB -0.165 31.563 31.700 0.045 0.000 0.854 717 P HA 0.063 nan 4.420 nan 0.000 0.271 717 P C 0.046 177.423 177.300 0.128 0.000 1.218 717 P CA -0.014 63.144 63.100 0.096 0.000 0.780 717 P CB 0.390 32.182 31.700 0.154 0.000 0.901 718 L N -0.674 120.575 121.223 0.043 0.000 3.965 718 L HA -0.224 4.116 4.340 0.001 0.000 0.499 718 L C 0.295 177.110 176.870 -0.092 0.000 1.194 718 L CA 0.662 55.484 54.840 -0.030 0.000 0.707 718 L CB -1.885 40.180 42.059 0.011 0.000 1.414 718 L HN 0.670 nan 8.230 nan 0.000 0.802 719 A N -0.241 122.475 122.820 -0.173 0.000 2.601 719 A HA 0.835 5.156 4.320 0.001 0.000 0.291 719 A C -0.259 177.221 177.584 -0.174 0.000 1.075 719 A CA 0.136 52.097 52.037 -0.127 0.000 0.671 719 A CB 1.931 20.923 19.000 -0.014 0.000 1.277 719 A HN 0.250 nan 8.150 nan 0.000 0.417 720 T N -0.316 114.194 114.554 -0.074 0.000 2.876 720 T HA 0.745 5.096 4.350 0.001 0.000 0.289 720 T C -0.408 174.301 174.700 0.015 0.000 1.014 720 T CA -0.221 61.876 62.100 -0.004 0.000 0.986 720 T CB 0.612 69.579 68.868 0.165 0.000 1.021 720 T HN 1.641 nan 8.240 nan 0.000 0.458 721 I N -0.329 120.282 120.570 0.069 0.000 2.846 721 I HA 0.909 5.079 4.170 0.001 0.000 0.307 721 I C -1.627 174.687 176.117 0.328 0.000 1.053 721 I CA -1.256 60.094 61.300 0.082 0.000 1.050 721 I CB 2.019 40.059 38.000 0.067 0.000 1.239 721 I HN 0.543 nan 8.210 nan 0.000 0.439 722 W N 4.527 125.825 121.300 -0.003 0.000 2.785 722 W HA 0.686 5.347 4.660 0.001 0.000 0.333 722 W C -1.372 175.166 176.519 0.032 0.000 1.062 722 W CA -0.930 56.405 57.345 -0.018 0.000 1.233 722 W CB 1.721 31.177 29.460 -0.007 0.000 1.413 722 W HN 0.196 nan 8.180 nan 0.000 0.489 723 L N 3.268 124.658 121.223 0.279 0.000 2.354 723 L HA 0.696 5.036 4.340 0.001 0.000 0.269 723 L C -0.270 176.855 176.870 0.425 0.000 1.005 723 L CA -1.283 53.756 54.840 0.330 0.000 0.819 723 L CB 0.959 43.238 42.059 0.367 0.000 1.311 723 L HN 0.163 nan 8.230 nan 0.000 0.423 724 V N 2.466 122.575 119.914 0.326 0.000 2.864 724 V HA 0.577 4.697 4.120 0.001 0.000 0.314 724 V C -0.137 175.785 176.094 -0.286 0.000 1.073 724 V CA -0.817 61.534 62.300 0.085 0.000 0.956 724 V CB 2.743 34.547 31.823 -0.032 0.000 1.023 724 V HN 0.881 nan 8.190 nan 0.000 0.435 725 R N 3.256 123.202 120.500 -0.923 0.000 2.410 725 R HA 0.398 4.739 4.340 0.001 0.000 0.288 725 R C -0.404 175.554 176.300 -0.570 0.000 1.051 725 R CA -0.338 54.971 56.100 -1.317 0.000 1.021 725 R CB 0.836 30.180 30.300 -1.594 0.000 1.032 725 R HN 0.777 nan 8.270 nan 0.000 0.481 726 E N 2.114 122.047 120.200 -0.444 0.000 2.134 726 E HA 0.260 4.610 4.350 0.001 0.000 0.278 726 E C -0.670 175.815 176.600 -0.191 0.000 0.959 726 E CA -0.617 55.649 56.400 -0.223 0.000 0.783 726 E CB 1.757 31.379 29.700 -0.130 0.000 1.095 726 E HN 0.676 nan 8.360 nan 0.000 0.399 727 A N 4.040 126.778 122.820 -0.136 0.000 2.425 727 A HA 0.137 4.458 4.320 0.001 0.000 0.242 727 A C 0.128 177.673 177.584 -0.065 0.000 1.077 727 A CA 0.057 52.034 52.037 -0.101 0.000 0.781 727 A CB 0.440 19.396 19.000 -0.073 0.000 1.020 727 A HN 0.660 nan 8.150 nan 0.000 0.494 728 E N 0.000 120.172 120.200 -0.047 0.000 2.725 728 E HA 0.000 4.350 4.350 0.001 0.000 0.291 728 E CA 0.000 56.387 56.400 -0.022 0.000 0.976 728 E CB 0.000 29.696 29.700 -0.006 0.000 0.812 728 E HN 0.000 nan 8.360 nan 0.000 0.440