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 3p3l_1_A DATA FIRST_RESID 4 DATA SEQUENCE TAHTEPSWAD LPFLDFTDPN FSWDSPEVAE AREKSWIART PLALLVLRYA DATA SEQUENCE EADQLARDKR LISGFRGLVD MVGTPEGPVR DFMVDFLQSL DGADHRRLRG DATA SEQUENCE LATHPFTPRR ITAVQPFVRS TVEQLIDKLP QGDFDFVQHF AHPLPALVMC DATA SEQUENCE QLLGFPLEDY DTVGRLSIET NLGLALSNDQ DILVKVEQGL GRMFDYLVAA DATA SEQUENCE IEKRKVEPGD DLTSDIVRAF HDGVLDDYEL RTLVATVLVA GYETTNHQLA DATA SEQUENCE LAMYDFAQHP DQWMKIKENP ELAPQAVEEV LRWSPTLPVT ATRVAAEDFE DATA SEQUENCE VNGVRIPTGT PVFMCAHVAH RDPRVFADAD RFDITVKREA PSIAFGGGPH DATA SEQUENCE FCLGTALARL ELTEAVAALA TRLDPPQIAG EITWRHELGV AGPDALPLRF DATA SEQUENCE GAA 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 4 T HA 0.000 nan 4.350 nan 0.000 0.228 4 T C 0.000 174.568 174.700 -0.219 0.000 1.109 4 T CA 0.000 62.019 62.100 -0.136 0.000 1.349 4 T CB 0.000 68.801 68.868 -0.112 0.000 0.612 5 A N 0.994 123.720 122.820 -0.157 0.000 2.540 5 A HA 0.335 4.651 4.320 -0.006 0.000 0.239 5 A C 0.570 178.031 177.584 -0.205 0.000 1.061 5 A CA 0.666 52.621 52.037 -0.136 0.000 0.758 5 A CB -0.337 18.614 19.000 -0.081 0.000 0.991 5 A HN 0.977 nan 8.150 nan 0.000 0.502 6 H N 0.555 119.597 119.070 -0.047 0.000 2.448 6 H HA 0.104 4.657 4.556 -0.005 0.000 0.292 6 H C 1.115 176.406 175.328 -0.062 0.000 1.035 6 H CA 1.676 57.696 56.048 -0.047 0.000 1.349 6 H CB 0.309 30.050 29.762 -0.033 0.000 1.425 6 H HN 0.776 nan 8.280 nan 0.000 0.539 7 T N -2.095 112.487 114.554 0.046 0.000 2.916 7 T HA 0.221 4.567 4.350 -0.006 0.000 0.292 7 T C -0.126 174.504 174.700 -0.117 0.000 1.064 7 T CA -1.176 60.904 62.100 -0.033 0.000 1.011 7 T CB 2.444 71.326 68.868 0.024 0.000 1.152 7 T HN -0.111 nan 8.240 nan 0.000 0.510 8 E N 2.087 122.122 120.200 -0.275 0.000 2.498 8 E HA 0.105 4.451 4.350 -0.006 0.000 0.252 8 E C -1.585 174.909 176.600 -0.177 0.000 1.025 8 E CA -1.681 54.468 56.400 -0.420 0.000 0.938 8 E CB 1.098 30.118 29.700 -1.132 0.000 0.947 8 E HN 0.386 nan 8.360 nan 0.000 0.478 9 P HA -0.158 nan 4.420 nan 0.000 0.216 9 P C 1.187 178.525 177.300 0.063 0.000 1.150 9 P CA 1.375 64.471 63.100 -0.007 0.000 0.837 9 P CB 0.181 31.872 31.700 -0.015 0.000 0.786 10 S N -3.077 112.675 115.700 0.087 0.000 2.561 10 S HA -0.078 4.389 4.470 -0.006 0.000 0.225 10 S C 1.027 175.861 174.600 0.390 0.000 0.977 10 S CA 0.165 58.492 58.200 0.211 0.000 0.926 10 S CB -1.053 62.279 63.200 0.221 0.000 0.769 10 S HN 0.136 nan 8.310 nan 0.000 0.533 11 W N 1.237 122.535 121.300 -0.005 0.000 3.220 11 W HA 0.638 5.295 4.660 -0.005 0.000 0.328 11 W C 2.121 178.635 176.519 -0.007 0.000 1.205 11 W CA -1.246 56.088 57.345 -0.018 0.000 1.773 11 W CB -0.724 28.721 29.460 -0.026 0.000 1.086 11 W HN 0.395 nan 8.180 nan 0.000 0.622 12 A N -0.054 122.888 122.820 0.203 0.000 2.019 12 A HA -0.144 4.173 4.320 -0.006 0.000 0.219 12 A C 1.507 179.143 177.584 0.087 0.000 1.164 12 A CA 1.848 53.959 52.037 0.123 0.000 0.644 12 A CB -0.199 18.854 19.000 0.088 0.000 0.805 12 A HN 0.053 nan 8.150 nan 0.000 0.449 13 D N -0.771 119.675 120.400 0.078 0.000 2.398 13 D HA 0.201 4.838 4.640 -0.006 0.000 0.210 13 D C 0.043 176.356 176.300 0.020 0.000 1.094 13 D CA -0.103 53.926 54.000 0.048 0.000 0.839 13 D CB 0.119 40.949 40.800 0.051 0.000 0.963 13 D HN 0.338 nan 8.370 nan 0.000 0.506 14 L N 3.679 124.900 121.223 -0.003 0.000 2.513 14 L HA 0.126 4.463 4.340 -0.006 0.000 0.272 14 L C -1.802 175.050 176.870 -0.030 0.000 1.187 14 L CA -1.131 53.661 54.840 -0.080 0.000 0.895 14 L CB -0.142 41.799 42.059 -0.196 0.000 1.147 14 L HN -0.230 nan 8.230 nan 0.000 0.483 15 P HA 0.014 nan 4.420 nan 0.000 0.271 15 P C -0.900 176.426 177.300 0.043 0.000 1.218 15 P CA -0.123 62.989 63.100 0.020 0.000 0.780 15 P CB 0.643 32.345 31.700 0.004 0.000 0.901 16 F N 3.243 123.164 119.950 -0.048 0.000 2.404 16 F HA 0.534 5.057 4.527 -0.008 0.000 0.339 16 F C -0.787 174.999 175.800 -0.023 0.000 1.105 16 F CA -0.517 57.451 58.000 -0.053 0.000 1.087 16 F CB 0.788 39.758 39.000 -0.050 0.000 1.143 16 F HN 0.113 nan 8.300 nan 0.000 0.491 17 L N 5.023 125.766 121.223 -0.801 0.000 2.431 17 L HA 0.341 4.678 4.340 -0.006 0.000 0.266 17 L C -1.617 174.685 176.870 -0.947 0.000 0.978 17 L CA -0.878 53.639 54.840 -0.538 0.000 0.822 17 L CB 2.135 44.102 42.059 -0.152 0.000 1.310 17 L HN 0.464 nan 8.230 nan 0.000 0.409 18 D N 1.667 121.679 120.400 -0.646 0.000 2.438 18 D HA 0.226 4.863 4.640 -0.006 0.000 0.257 18 D C 0.437 176.177 176.300 -0.933 0.000 1.148 18 D CA -0.487 53.110 54.000 -0.673 0.000 0.902 18 D CB 0.783 41.434 40.800 -0.249 0.000 1.062 18 D HN 0.343 nan 8.370 nan 0.000 0.518 19 F N 1.047 120.288 119.950 -1.181 0.000 2.748 19 F HA 0.104 4.627 4.527 -0.007 0.000 0.299 19 F C 1.321 176.673 175.800 -0.746 0.000 1.154 19 F CA 0.185 57.177 58.000 -1.681 0.000 1.446 19 F CB -0.559 37.631 39.000 -1.349 0.000 1.112 19 F HN 0.158 nan 8.300 nan 0.000 0.584 20 T N -1.531 112.530 114.554 -0.822 0.000 3.218 20 T HA 0.176 4.523 4.350 -0.006 0.000 0.241 20 T C -0.487 174.044 174.700 -0.282 0.000 0.929 20 T CA -0.560 61.273 62.100 -0.445 0.000 0.979 20 T CB -0.509 68.083 68.868 -0.460 0.000 1.129 20 T HN 0.308 nan 8.240 nan 0.000 0.559 21 D N 1.058 121.322 120.400 -0.226 0.000 2.757 21 D HA 0.336 4.972 4.640 -0.006 0.000 0.249 21 D C -2.020 174.253 176.300 -0.044 0.000 1.168 21 D CA -2.229 51.706 54.000 -0.110 0.000 0.870 21 D CB 2.750 43.504 40.800 -0.076 0.000 1.411 21 D HN -0.121 nan 8.370 nan 0.000 0.525 22 P HA -0.121 nan 4.420 nan 0.000 0.217 22 P C 0.560 177.831 177.300 -0.048 0.000 1.151 22 P CA 1.045 64.112 63.100 -0.055 0.000 0.849 22 P CB 0.340 32.005 31.700 -0.059 0.000 0.787 23 N N -1.944 116.740 118.700 -0.027 0.000 2.398 23 N HA 0.008 4.745 4.740 -0.006 0.000 0.188 23 N C 0.211 175.693 175.510 -0.048 0.000 1.122 23 N CA 0.012 53.037 53.050 -0.041 0.000 0.866 23 N CB -0.558 37.908 38.487 -0.034 0.000 0.970 23 N HN 0.195 nan 8.380 nan 0.000 0.462 24 F N 1.441 121.281 119.950 -0.184 0.000 2.484 24 F HA 0.249 4.773 4.527 -0.005 0.000 0.360 24 F C 0.589 176.197 175.800 -0.320 0.000 1.101 24 F CA -0.237 57.610 58.000 -0.256 0.000 1.251 24 F CB 0.730 39.544 39.000 -0.309 0.000 1.132 24 F HN -0.231 nan 8.300 nan 0.000 0.570 25 S N 5.069 120.084 115.700 -1.142 0.000 2.547 25 S HA 0.238 4.704 4.470 -0.006 0.000 0.281 25 S C -0.030 173.877 174.600 -1.155 0.000 1.118 25 S CA -0.817 56.844 58.200 -0.898 0.000 0.947 25 S CB 0.471 63.388 63.200 -0.471 0.000 1.053 25 S HN 0.795 nan 8.310 nan 0.000 0.482 26 W N 1.837 122.757 121.300 -0.633 0.000 2.421 26 W HA 0.045 4.704 4.660 -0.003 0.000 0.270 26 W C 1.002 177.323 176.519 -0.330 0.000 1.233 26 W CA 0.295 57.352 57.345 -0.481 0.000 1.226 26 W CB 0.184 29.269 29.460 -0.625 0.000 1.121 26 W HN 0.635 nan 8.180 nan 0.000 0.579 27 D N -0.436 119.881 120.400 -0.138 0.000 2.363 27 D HA 0.017 4.654 4.640 -0.006 0.000 0.214 27 D C 0.779 177.014 176.300 -0.108 0.000 1.093 27 D CA 0.298 54.259 54.000 -0.065 0.000 0.837 27 D CB -0.120 40.647 40.800 -0.055 0.000 0.948 27 D HN -0.031 nan 8.370 nan 0.000 0.507 28 S N 1.202 116.778 115.700 -0.207 0.000 2.579 28 S HA 0.138 4.604 4.470 -0.006 0.000 0.275 28 S C -1.285 173.258 174.600 -0.095 0.000 1.345 28 S CA -0.866 57.227 58.200 -0.178 0.000 1.031 28 S CB 1.696 64.729 63.200 -0.278 0.000 0.892 28 S HN -0.126 nan 8.310 nan 0.000 0.529 29 P HA -0.168 nan 4.420 nan 0.000 0.218 29 P C 1.289 178.580 177.300 -0.014 0.000 1.149 29 P CA 1.581 64.667 63.100 -0.022 0.000 0.817 29 P CB -0.151 31.541 31.700 -0.015 0.000 0.785 30 E N -0.061 120.122 120.200 -0.029 0.000 2.150 30 E HA -0.094 4.252 4.350 -0.006 0.000 0.193 30 E C 1.797 178.407 176.600 0.016 0.000 0.985 30 E CA 0.915 57.314 56.400 -0.001 0.000 0.814 30 E CB -1.097 28.607 29.700 0.007 0.000 0.752 30 E HN -0.002 nan 8.360 nan 0.000 0.466 31 V N 1.516 121.424 119.914 -0.011 0.000 2.379 31 V HA -0.206 3.911 4.120 -0.006 0.000 0.245 31 V C 2.598 178.727 176.094 0.059 0.000 1.044 31 V CA 1.688 64.012 62.300 0.039 0.000 1.036 31 V CB -0.641 31.190 31.823 0.014 0.000 0.664 31 V HN 0.517 nan 8.190 nan 0.000 0.453 32 A N -0.190 122.654 122.820 0.040 0.000 1.908 32 A HA -0.276 4.041 4.320 -0.006 0.000 0.218 32 A C 2.148 179.762 177.584 0.051 0.000 1.181 32 A CA 2.072 54.141 52.037 0.052 0.000 0.627 32 A CB -0.504 18.521 19.000 0.042 0.000 0.818 32 A HN 0.630 nan 8.150 nan 0.000 0.445 33 E N -0.334 119.890 120.200 0.040 0.000 2.110 33 E HA -0.102 4.245 4.350 -0.006 0.000 0.193 33 E C 2.316 178.942 176.600 0.043 0.000 0.988 33 E CA 0.933 57.356 56.400 0.040 0.000 0.804 33 E CB -0.294 29.426 29.700 0.033 0.000 0.745 33 E HN 0.636 nan 8.360 nan 0.000 0.458 34 A N 1.492 124.339 122.820 0.045 0.000 1.877 34 A HA -0.204 4.113 4.320 -0.006 0.000 0.216 34 A C 2.116 179.722 177.584 0.037 0.000 1.186 34 A CA 1.467 53.526 52.037 0.036 0.000 0.620 34 A CB -0.437 18.587 19.000 0.039 0.000 0.822 34 A HN 0.068 nan 8.150 nan 0.000 0.443 35 R N -0.383 120.152 120.500 0.059 0.000 2.120 35 R HA -0.158 4.179 4.340 -0.006 0.000 0.234 35 R C 2.172 178.522 176.300 0.083 0.000 1.123 35 R CA 1.678 57.825 56.100 0.077 0.000 0.975 35 R CB -0.211 30.148 30.300 0.098 0.000 0.866 35 R HN 0.758 nan 8.270 nan 0.000 0.446 36 E N 0.431 120.674 120.200 0.071 0.000 2.072 36 E HA -0.213 4.134 4.350 -0.006 0.000 0.191 36 E C 1.881 178.522 176.600 0.068 0.000 0.985 36 E CA 1.111 57.553 56.400 0.070 0.000 0.801 36 E CB 0.107 29.842 29.700 0.058 0.000 0.750 36 E HN 0.185 nan 8.360 nan 0.000 0.452 37 K N -0.286 120.147 120.400 0.055 0.000 2.057 37 K HA -0.029 4.287 4.320 -0.006 0.000 0.206 37 K C 0.325 176.960 176.600 0.058 0.000 1.050 37 K CA 0.928 57.244 56.287 0.049 0.000 0.935 37 K CB 0.211 32.731 32.500 0.034 0.000 0.715 37 K HN -0.034 nan 8.250 nan 0.000 0.439 38 S N -1.266 114.462 115.700 0.047 0.000 2.556 38 S HA 0.187 4.653 4.470 -0.006 0.000 0.271 38 S C -0.122 174.509 174.600 0.053 0.000 1.135 38 S CA -0.962 57.255 58.200 0.029 0.000 0.858 38 S CB 0.542 63.677 63.200 -0.108 0.000 1.114 38 S HN 0.401 nan 8.310 nan 0.000 0.468 39 W N 3.743 125.051 121.300 0.014 0.000 2.595 39 W HA 0.321 4.978 4.660 -0.005 0.000 0.257 39 W C 0.101 176.619 176.519 -0.002 0.000 1.267 39 W CA 0.133 57.489 57.345 0.017 0.000 1.300 39 W CB -0.317 29.156 29.460 0.021 0.000 1.120 39 W HN 0.455 nan 8.180 nan 0.000 0.618 40 I N 0.900 120.963 120.570 -0.844 0.000 2.656 40 I HA 0.620 4.787 4.170 -0.006 0.000 0.292 40 I C -0.645 175.133 176.117 -0.564 0.000 1.144 40 I CA -0.715 60.046 61.300 -0.898 0.000 1.038 40 I CB 1.970 38.944 38.000 -1.709 0.000 1.244 40 I HN -0.117 nan 8.210 nan 0.000 0.420 41 A N 5.838 128.425 122.820 -0.388 0.000 2.337 41 A HA 0.822 5.138 4.320 -0.006 0.000 0.331 41 A C -0.816 176.558 177.584 -0.351 0.000 1.137 41 A CA -0.664 51.199 52.037 -0.291 0.000 0.807 41 A CB 1.389 20.289 19.000 -0.167 0.000 1.250 41 A HN 0.708 nan 8.150 nan 0.000 0.468 42 R N 0.625 120.940 120.500 -0.308 0.000 2.312 42 R HA 0.560 4.897 4.340 -0.006 0.000 0.311 42 R C 0.036 176.113 176.300 -0.371 0.000 1.004 42 R CA 0.622 56.536 56.100 -0.310 0.000 0.902 42 R CB 0.727 30.927 30.300 -0.168 0.000 1.073 42 R HN 0.911 nan 8.270 nan 0.000 0.457 43 T N 1.358 115.694 114.554 -0.364 0.000 2.942 43 T HA 0.479 4.826 4.350 -0.006 0.000 0.289 43 T C -1.915 172.663 174.700 -0.203 0.000 1.044 43 T CA -2.131 59.690 62.100 -0.466 0.000 1.023 43 T CB 1.782 70.435 68.868 -0.358 0.000 1.123 43 T HN 0.370 nan 8.240 nan 0.000 0.512 44 P HA -0.055 nan 4.420 nan 0.000 0.216 44 P C 1.286 178.556 177.300 -0.050 0.000 1.153 44 P CA 1.095 64.208 63.100 0.021 0.000 0.858 44 P CB -0.140 31.560 31.700 -0.000 0.000 0.789 45 L N -6.203 114.936 121.223 -0.140 0.000 2.638 45 L HA 0.648 4.985 4.340 -0.006 0.000 0.232 45 L C 0.627 177.379 176.870 -0.198 0.000 1.099 45 L CA -0.147 54.616 54.840 -0.128 0.000 0.883 45 L CB -0.386 41.603 42.059 -0.115 0.000 1.136 45 L HN -0.225 nan 8.230 nan 0.000 0.492 46 A N 0.060 122.700 122.820 -0.301 0.000 2.612 46 A HA 0.725 5.042 4.320 -0.006 0.000 0.293 46 A C -1.190 176.148 177.584 -0.410 0.000 1.075 46 A CA -0.562 51.204 52.037 -0.452 0.000 0.680 46 A CB 0.879 19.254 19.000 -1.041 0.000 1.279 46 A HN 0.091 nan 8.150 nan 0.000 0.411 47 L N 1.418 122.402 121.223 -0.397 0.000 2.371 47 L HA 0.439 4.775 4.340 -0.006 0.000 0.272 47 L C -0.679 176.004 176.870 -0.312 0.000 1.124 47 L CA -0.686 53.907 54.840 -0.412 0.000 0.816 47 L CB 0.951 42.737 42.059 -0.456 0.000 1.129 47 L HN 0.502 nan 8.230 nan 0.000 0.448 48 L N 3.813 124.870 121.223 -0.276 0.000 2.343 48 L HA 0.408 4.744 4.340 -0.006 0.000 0.278 48 L C -0.443 176.336 176.870 -0.151 0.000 0.996 48 L CA -0.474 54.280 54.840 -0.143 0.000 0.831 48 L CB 1.942 43.955 42.059 -0.077 0.000 1.232 48 L HN 0.204 nan 8.230 nan 0.000 0.413 49 V N 6.519 126.392 119.914 -0.067 0.000 2.408 49 V HA 0.214 4.331 4.120 -0.006 0.000 0.267 49 V C 1.196 177.306 176.094 0.026 0.000 1.047 49 V CA -0.119 62.173 62.300 -0.013 0.000 0.937 49 V CB 1.383 33.276 31.823 0.116 0.000 0.999 49 V HN 0.670 nan 8.190 nan 0.000 0.472 50 L N 3.860 125.112 121.223 0.049 0.000 2.575 50 L HA 0.326 4.663 4.340 -0.006 0.000 0.228 50 L C 1.148 178.096 176.870 0.128 0.000 1.075 50 L CA 0.195 55.079 54.840 0.074 0.000 0.867 50 L CB 0.091 42.189 42.059 0.064 0.000 1.097 50 L HN 0.486 nan 8.230 nan 0.000 0.485 51 R N -1.103 119.510 120.500 0.188 0.000 2.428 51 R HA 0.123 4.460 4.340 -0.006 0.000 0.294 51 R C 0.484 176.916 176.300 0.220 0.000 1.000 51 R CA -0.483 55.748 56.100 0.219 0.000 0.960 51 R CB 1.151 31.598 30.300 0.244 0.000 1.076 51 R HN -0.118 nan 8.270 nan 0.000 0.475 52 Y N 2.567 122.938 120.300 0.120 0.000 2.128 52 Y HA -0.328 4.218 4.550 -0.006 0.000 0.284 52 Y C 2.059 178.010 175.900 0.085 0.000 1.154 52 Y CA 2.382 60.554 58.100 0.119 0.000 1.149 52 Y CB -0.102 38.435 38.460 0.130 0.000 0.976 52 Y HN 0.796 nan 8.280 nan 0.000 0.505 53 A N 0.126 123.066 122.820 0.200 0.000 1.883 53 A HA -0.235 4.082 4.320 -0.006 0.000 0.217 53 A C 1.960 179.537 177.584 -0.011 0.000 1.186 53 A CA 2.169 54.254 52.037 0.081 0.000 0.624 53 A CB -0.746 18.301 19.000 0.077 0.000 0.822 53 A HN 0.564 nan 8.150 nan 0.000 0.444 54 E N -0.149 120.069 120.200 0.029 0.000 2.152 54 E HA 0.099 4.445 4.350 -0.006 0.000 0.192 54 E C 2.183 178.825 176.600 0.070 0.000 0.983 54 E CA 1.082 57.503 56.400 0.035 0.000 0.818 54 E CB -0.411 29.362 29.700 0.121 0.000 0.758 54 E HN 0.578 nan 8.360 nan 0.000 0.467 55 A N 1.023 123.869 122.820 0.044 0.000 1.902 55 A HA -0.244 4.072 4.320 -0.006 0.000 0.217 55 A C 2.006 179.548 177.584 -0.071 0.000 1.181 55 A CA 1.933 53.968 52.037 -0.004 0.000 0.623 55 A CB -0.667 18.306 19.000 -0.045 0.000 0.818 55 A HN 0.282 nan 8.150 nan 0.000 0.443 56 D N -0.970 119.318 120.400 -0.187 0.000 2.117 56 D HA -0.165 4.471 4.640 -0.006 0.000 0.198 56 D C 2.119 178.378 176.300 -0.070 0.000 0.982 56 D CA 1.706 55.597 54.000 -0.180 0.000 0.828 56 D CB -0.146 40.451 40.800 -0.337 0.000 0.967 56 D HN 0.569 nan 8.370 nan 0.000 0.464 57 Q N -0.617 119.151 119.800 -0.054 0.000 2.083 57 Q HA 0.043 4.379 4.340 -0.006 0.000 0.198 57 Q C 2.286 178.284 176.000 -0.003 0.000 0.969 57 Q CA 0.779 56.564 55.803 -0.030 0.000 0.838 57 Q CB 0.058 28.773 28.738 -0.039 0.000 0.900 57 Q HN 0.354 nan 8.270 nan 0.000 0.436 58 L N -0.184 121.058 121.223 0.031 0.000 2.313 58 L HA 0.028 4.364 4.340 -0.006 0.000 0.214 58 L C 2.169 179.079 176.870 0.067 0.000 1.119 58 L CA 0.320 55.205 54.840 0.074 0.000 0.809 58 L CB -0.310 41.847 42.059 0.165 0.000 0.933 58 L HN 0.181 nan 8.230 nan 0.000 0.449 59 A N -0.002 122.849 122.820 0.053 0.000 2.121 59 A HA -0.120 4.196 4.320 -0.006 0.000 0.218 59 A C 2.303 179.925 177.584 0.063 0.000 1.154 59 A CA 1.139 53.214 52.037 0.063 0.000 0.679 59 A CB -0.288 18.752 19.000 0.068 0.000 0.795 59 A HN 0.351 nan 8.150 nan 0.000 0.458 60 R N -0.785 119.736 120.500 0.034 0.000 2.335 60 R HA 0.054 4.390 4.340 -0.006 0.000 0.210 60 R C -0.284 176.011 176.300 -0.008 0.000 0.892 60 R CA -0.144 55.965 56.100 0.016 0.000 1.048 60 R CB 0.208 30.504 30.300 -0.008 0.000 1.067 60 R HN 0.363 nan 8.270 nan 0.000 0.524 61 D N 2.059 122.447 120.400 -0.019 0.000 2.412 61 D HA -0.062 4.575 4.640 -0.006 0.000 0.257 61 D C 0.577 176.828 176.300 -0.082 0.000 1.217 61 D CA 0.559 54.514 54.000 -0.074 0.000 0.897 61 D CB 1.049 41.787 40.800 -0.103 0.000 1.132 61 D HN -0.046 nan 8.370 nan 0.000 0.493 62 K N 3.309 123.652 120.400 -0.095 0.000 2.362 62 K HA -0.073 4.243 4.320 -0.006 0.000 0.200 62 K C 1.439 177.982 176.600 -0.095 0.000 1.046 62 K CA 0.459 56.705 56.287 -0.069 0.000 0.952 62 K CB 0.270 32.737 32.500 -0.056 0.000 0.753 62 K HN 0.366 nan 8.250 nan 0.000 0.466 63 R N -0.027 120.348 120.500 -0.209 0.000 2.316 63 R HA 0.070 4.407 4.340 -0.006 0.000 0.202 63 R C 0.048 176.292 176.300 -0.093 0.000 1.029 63 R CA 0.364 56.306 56.100 -0.263 0.000 1.018 63 R CB 0.099 29.959 30.300 -0.733 0.000 0.888 63 R HN 0.042 nan 8.270 nan 0.000 0.471 64 L N 2.062 123.263 121.223 -0.036 0.000 2.316 64 L HA 0.434 4.771 4.340 -0.006 0.000 0.280 64 L C 0.038 176.945 176.870 0.061 0.000 1.006 64 L CA -0.758 54.131 54.840 0.082 0.000 0.836 64 L CB 1.398 43.534 42.059 0.129 0.000 1.221 64 L HN 0.023 nan 8.230 nan 0.000 0.418 65 I N -1.082 119.528 120.570 0.067 0.000 3.501 65 I HA 0.531 4.697 4.170 -0.006 0.000 0.297 65 I C 0.637 176.768 176.117 0.023 0.000 1.199 65 I CA -0.757 60.574 61.300 0.051 0.000 0.987 65 I CB 1.503 39.535 38.000 0.053 0.000 1.365 65 I HN 0.435 nan 8.210 nan 0.000 0.574 66 S N 0.527 116.212 115.700 -0.025 0.000 2.537 66 S HA 0.256 4.723 4.470 -0.006 0.000 0.286 66 S C 0.947 175.558 174.600 0.019 0.000 1.299 66 S CA 0.068 58.218 58.200 -0.082 0.000 1.067 66 S CB 0.296 63.381 63.200 -0.192 0.000 0.864 66 S HN 0.895 nan 8.310 nan 0.000 0.494 67 G N 3.776 112.582 108.800 0.010 0.000 3.042 67 G HA2 0.098 4.054 3.960 -0.006 0.000 0.212 67 G HA3 0.098 4.054 3.960 -0.006 0.000 0.212 67 G C 0.795 175.710 174.900 0.026 0.000 1.166 67 G CA -0.235 44.884 45.100 0.032 0.000 0.767 67 G HN 0.718 nan 8.290 nan 0.000 0.546 68 F N 1.277 121.233 119.950 0.010 0.000 2.126 68 F HA -0.032 4.492 4.527 -0.005 0.000 0.299 68 F C 2.845 178.702 175.800 0.095 0.000 1.096 68 F CA 1.404 59.439 58.000 0.059 0.000 1.255 68 F CB 0.059 39.092 39.000 0.056 0.000 0.997 68 F HN 0.028 nan 8.300 nan 0.000 0.479 69 R N -0.417 120.237 120.500 0.256 0.000 2.092 69 R HA -0.090 4.246 4.340 -0.006 0.000 0.231 69 R C 2.558 178.943 176.300 0.141 0.000 1.119 69 R CA 1.023 57.234 56.100 0.185 0.000 0.970 69 R CB -1.082 29.303 30.300 0.141 0.000 0.864 69 R HN 0.401 nan 8.270 nan 0.000 0.440 70 G N 1.251 110.123 108.800 0.119 0.000 2.421 70 G HA2 -0.235 3.722 3.960 -0.006 0.000 0.216 70 G HA3 -0.235 3.722 3.960 -0.006 0.000 0.216 70 G C 1.428 176.387 174.900 0.098 0.000 1.171 70 G CA 0.468 45.627 45.100 0.097 0.000 0.775 70 G HN 0.130 nan 8.290 nan 0.000 0.543 71 L N 0.214 121.499 121.223 0.102 0.000 2.046 71 L HA -0.096 4.240 4.340 -0.006 0.000 0.208 71 L C 3.014 179.955 176.870 0.117 0.000 1.077 71 L CA 0.477 55.378 54.840 0.102 0.000 0.747 71 L CB -0.521 41.573 42.059 0.060 0.000 0.896 71 L HN 0.096 nan 8.230 nan 0.000 0.432 72 V N -0.136 119.867 119.914 0.148 0.000 2.343 72 V HA -0.303 3.814 4.120 -0.006 0.000 0.247 72 V C 2.012 178.170 176.094 0.107 0.000 1.051 72 V CA 2.026 64.413 62.300 0.145 0.000 1.036 72 V CB -0.501 31.427 31.823 0.174 0.000 0.654 72 V HN 0.419 nan 8.190 nan 0.000 0.451 73 D N -0.910 119.548 120.400 0.098 0.000 2.178 73 D HA -0.140 4.497 4.640 -0.006 0.000 0.202 73 D C 2.005 178.343 176.300 0.064 0.000 0.974 73 D CA 1.038 55.083 54.000 0.076 0.000 0.841 73 D CB -0.227 40.616 40.800 0.071 0.000 0.953 73 D HN 0.351 nan 8.370 nan 0.000 0.478 74 M N 0.485 120.125 119.600 0.067 0.000 2.132 74 M HA -0.140 4.337 4.480 -0.006 0.000 0.263 74 M C 1.827 178.156 176.300 0.049 0.000 1.065 74 M CA 1.298 56.630 55.300 0.054 0.000 1.122 74 M CB 0.203 32.837 32.600 0.057 0.000 1.365 74 M HN 0.050 nan 8.290 nan 0.000 0.411 75 V N -2.466 117.484 119.914 0.060 0.000 3.306 75 V HA 0.309 4.426 4.120 -0.006 0.000 0.264 75 V C 1.190 177.314 176.094 0.051 0.000 1.149 75 V CA 0.734 63.067 62.300 0.054 0.000 1.143 75 V CB -1.272 30.590 31.823 0.066 0.000 0.767 75 V HN 0.695 nan 8.190 nan 0.000 0.476 76 G N 1.325 110.158 108.800 0.056 0.000 2.272 76 G HA2 -0.244 3.713 3.960 -0.006 0.000 0.280 76 G HA3 -0.244 3.713 3.960 -0.006 0.000 0.280 76 G C 0.070 175.002 174.900 0.053 0.000 1.067 76 G CA 0.384 45.514 45.100 0.051 0.000 0.902 76 G HN 0.757 nan 8.290 nan 0.000 0.500 77 T N 2.553 117.147 114.554 0.066 0.000 2.871 77 T HA 0.369 4.716 4.350 -0.006 0.000 0.296 77 T C -1.106 173.631 174.700 0.062 0.000 0.998 77 T CA 0.186 62.327 62.100 0.068 0.000 1.162 77 T CB 1.255 70.175 68.868 0.086 0.000 0.947 77 T HN 0.438 nan 8.240 nan 0.000 0.536 78 P HA 0.137 nan 4.420 nan 0.000 0.272 78 P C 0.103 177.434 177.300 0.052 0.000 1.240 78 P CA -0.513 62.615 63.100 0.047 0.000 0.791 78 P CB 0.635 32.358 31.700 0.038 0.000 0.978 79 E N 0.165 120.393 120.200 0.046 0.000 2.529 79 E HA 0.318 4.665 4.350 -0.006 0.000 0.259 79 E C 0.749 177.377 176.600 0.047 0.000 0.966 79 E CA 1.130 57.557 56.400 0.046 0.000 0.937 79 E CB 0.017 29.738 29.700 0.035 0.000 0.923 79 E HN 0.751 nan 8.360 nan 0.000 0.468 80 G N 3.235 112.068 108.800 0.056 0.000 2.324 80 G HA2 0.060 4.017 3.960 -0.006 0.000 0.293 80 G HA3 0.060 4.017 3.960 -0.006 0.000 0.293 80 G C -2.531 172.419 174.900 0.084 0.000 1.297 80 G CA -0.812 44.323 45.100 0.058 0.000 0.853 80 G HN 0.204 nan 8.290 nan 0.000 0.535 81 P HA 0.004 nan 4.420 nan 0.000 0.216 81 P C 2.093 179.497 177.300 0.173 0.000 1.150 81 P CA 1.380 64.558 63.100 0.130 0.000 0.837 81 P CB 0.142 31.907 31.700 0.108 0.000 0.786 82 V N -0.021 119.969 119.914 0.128 0.000 2.307 82 V HA -0.214 3.903 4.120 -0.006 0.000 0.245 82 V C 2.663 178.862 176.094 0.174 0.000 1.045 82 V CA 1.788 64.167 62.300 0.131 0.000 1.024 82 V CB -1.007 30.862 31.823 0.078 0.000 0.651 82 V HN 0.051 nan 8.190 nan 0.000 0.449 83 R N 0.057 120.644 120.500 0.145 0.000 2.073 83 R HA -0.196 4.140 4.340 -0.006 0.000 0.234 83 R C 2.120 178.529 176.300 0.182 0.000 1.134 83 R CA 2.036 58.225 56.100 0.147 0.000 0.952 83 R CB -0.433 29.935 30.300 0.113 0.000 0.850 83 R HN 0.511 nan 8.270 nan 0.000 0.433 84 D N 0.003 120.520 120.400 0.196 0.000 2.126 84 D HA -0.231 4.405 4.640 -0.006 0.000 0.190 84 D C 1.591 178.089 176.300 0.330 0.000 1.001 84 D CA 1.398 55.545 54.000 0.245 0.000 0.841 84 D CB -0.398 40.549 40.800 0.245 0.000 0.949 84 D HN 0.214 nan 8.370 nan 0.000 0.446 85 F N 0.466 120.529 119.950 0.187 0.000 2.134 85 F HA -0.160 4.364 4.527 -0.006 0.000 0.299 85 F C 2.350 178.192 175.800 0.069 0.000 1.097 85 F CA 1.063 59.144 58.000 0.135 0.000 1.264 85 F CB -0.139 38.908 39.000 0.079 0.000 1.001 85 F HN -0.172 nan 8.300 nan 0.000 0.479 86 M N 0.017 119.694 119.600 0.128 0.000 2.296 86 M HA -0.066 4.411 4.480 -0.006 0.000 0.265 86 M C 2.015 178.480 176.300 0.276 0.000 1.064 86 M CA 1.491 56.828 55.300 0.061 0.000 1.109 86 M CB -0.431 32.257 32.600 0.147 0.000 1.396 86 M HN 0.183 nan 8.290 nan 0.000 0.430 87 V N -4.213 115.834 119.914 0.222 0.000 3.174 87 V HA 0.054 4.171 4.120 -0.006 0.000 0.254 87 V C 1.057 177.253 176.094 0.169 0.000 1.120 87 V CA 1.298 63.719 62.300 0.201 0.000 1.114 87 V CB -0.483 31.438 31.823 0.162 0.000 0.756 87 V HN 0.207 nan 8.190 nan 0.000 0.467 88 D N 0.527 121.030 120.400 0.172 0.000 2.392 88 D HA 0.206 4.842 4.640 -0.006 0.000 0.206 88 D C 0.872 177.191 176.300 0.033 0.000 1.046 88 D CA 0.096 54.176 54.000 0.132 0.000 0.865 88 D CB 0.174 41.124 40.800 0.250 0.000 0.969 88 D HN 0.681 nan 8.370 nan 0.000 0.509 89 F N 0.304 120.049 119.950 -0.341 0.000 2.444 89 F HA 0.118 4.641 4.527 -0.006 0.000 0.331 89 F C 1.692 177.353 175.800 -0.232 0.000 1.167 89 F CA -1.038 56.689 58.000 -0.454 0.000 1.262 89 F CB 0.898 39.323 39.000 -0.958 0.000 1.196 89 F HN -0.257 nan 8.300 nan 0.000 0.583 90 L N 1.805 122.805 121.223 -0.373 0.000 2.064 90 L HA -0.269 4.067 4.340 -0.006 0.000 0.216 90 L C 2.322 178.998 176.870 -0.323 0.000 1.077 90 L CA 1.974 56.667 54.840 -0.245 0.000 0.766 90 L CB -0.996 40.994 42.059 -0.116 0.000 0.890 90 L HN 0.847 nan 8.230 nan 0.000 0.435 91 Q N -1.738 117.471 119.800 -0.986 0.000 2.437 91 Q HA -0.084 4.252 4.340 -0.006 0.000 0.210 91 Q C 1.871 177.441 176.000 -0.717 0.000 0.972 91 Q CA 1.218 56.505 55.803 -0.860 0.000 0.903 91 Q CB -0.010 28.023 28.738 -1.176 0.000 0.967 91 Q HN 0.508 nan 8.270 nan 0.000 0.486 92 S N -0.012 115.275 115.700 -0.688 0.000 2.524 92 S HA 0.153 4.620 4.470 -0.006 0.000 0.216 92 S C 0.560 175.127 174.600 -0.054 0.000 0.987 92 S CA 0.019 58.088 58.200 -0.219 0.000 0.909 92 S CB 0.339 63.491 63.200 -0.080 0.000 0.781 92 S HN 0.176 nan 8.310 nan 0.000 0.521 93 L N 1.537 122.758 121.223 -0.004 0.000 2.375 93 L HA 0.568 4.904 4.340 -0.006 0.000 0.268 93 L C -0.132 176.809 176.870 0.119 0.000 1.058 93 L CA -0.515 54.379 54.840 0.089 0.000 0.803 93 L CB 0.917 43.046 42.059 0.117 0.000 1.212 93 L HN 0.062 nan 8.230 nan 0.000 0.451 94 D N -0.335 120.122 120.400 0.095 0.000 2.652 94 D HA 0.495 5.132 4.640 -0.006 0.000 0.285 94 D C 0.048 176.396 176.300 0.081 0.000 1.173 94 D CA 0.392 54.422 54.000 0.050 0.000 0.981 94 D CB 2.188 43.021 40.800 0.055 0.000 1.440 94 D HN 0.702 nan 8.370 nan 0.000 0.485 95 G N 0.322 109.158 108.800 0.060 0.000 2.564 95 G HA2 -0.241 3.715 3.960 -0.006 0.000 0.273 95 G HA3 -0.241 3.715 3.960 -0.006 0.000 0.273 95 G C 1.005 175.948 174.900 0.072 0.000 1.242 95 G CA 1.174 46.309 45.100 0.059 0.000 0.951 95 G HN 0.740 nan 8.290 nan 0.000 0.564 96 A N -1.232 121.619 122.820 0.051 0.000 1.892 96 A HA -0.084 4.233 4.320 -0.006 0.000 0.218 96 A C 2.091 179.700 177.584 0.042 0.000 1.188 96 A CA 2.751 54.812 52.037 0.040 0.000 0.631 96 A CB -0.673 18.346 19.000 0.032 0.000 0.822 96 A HN 0.731 nan 8.150 nan 0.000 0.447 97 D N -1.590 118.844 120.400 0.056 0.000 2.117 97 D HA -0.166 4.471 4.640 -0.006 0.000 0.197 97 D C 1.805 178.136 176.300 0.051 0.000 0.987 97 D CA 1.505 55.537 54.000 0.055 0.000 0.829 97 D CB -0.517 40.323 40.800 0.067 0.000 0.961 97 D HN 0.723 nan 8.370 nan 0.000 0.460 98 H N 1.778 120.833 119.070 -0.024 0.000 2.326 98 H HA -0.067 4.485 4.556 -0.006 0.000 0.301 98 H C 2.180 177.465 175.328 -0.072 0.000 1.081 98 H CA 1.705 57.714 56.048 -0.066 0.000 1.334 98 H CB 0.284 29.977 29.762 -0.114 0.000 1.385 98 H HN 0.140 nan 8.280 nan 0.000 0.504 99 R N 0.688 121.143 120.500 -0.074 0.000 2.115 99 R HA -0.100 4.237 4.340 -0.006 0.000 0.230 99 R C 2.578 178.816 176.300 -0.105 0.000 1.111 99 R CA 1.340 57.372 56.100 -0.113 0.000 0.976 99 R CB -0.510 29.783 30.300 -0.012 0.000 0.870 99 R HN 0.225 nan 8.270 nan 0.000 0.445 100 R N 1.275 121.738 120.500 -0.061 0.000 2.062 100 R HA -0.045 4.291 4.340 -0.006 0.000 0.231 100 R C 2.182 178.449 176.300 -0.055 0.000 1.136 100 R CA 1.457 57.534 56.100 -0.038 0.000 0.948 100 R CB -0.221 30.075 30.300 -0.008 0.000 0.845 100 R HN 0.308 nan 8.270 nan 0.000 0.430 101 L N 0.073 121.248 121.223 -0.081 0.000 2.072 101 L HA -0.030 4.307 4.340 -0.006 0.000 0.205 101 L C 2.940 179.740 176.870 -0.116 0.000 1.079 101 L CA 1.121 55.916 54.840 -0.076 0.000 0.752 101 L CB -0.471 41.551 42.059 -0.061 0.000 0.906 101 L HN 0.248 nan 8.230 nan 0.000 0.436 102 R N 0.459 120.811 120.500 -0.247 0.000 2.105 102 R HA -0.155 4.182 4.340 -0.006 0.000 0.239 102 R C 2.216 178.448 176.300 -0.112 0.000 1.135 102 R CA 1.513 57.461 56.100 -0.253 0.000 0.967 102 R CB -0.493 29.498 30.300 -0.516 0.000 0.861 102 R HN 0.396 nan 8.270 nan 0.000 0.442 103 G N 1.003 109.745 108.800 -0.097 0.000 2.442 103 G HA2 -0.225 3.732 3.960 -0.006 0.000 0.219 103 G HA3 -0.225 3.732 3.960 -0.006 0.000 0.219 103 G C 1.383 176.289 174.900 0.009 0.000 1.141 103 G CA 0.689 45.771 45.100 -0.031 0.000 0.763 103 G HN 0.288 nan 8.290 nan 0.000 0.554 104 L N 0.145 121.370 121.223 0.005 0.000 2.478 104 L HA 0.211 4.547 4.340 -0.006 0.000 0.223 104 L C 2.694 179.602 176.870 0.062 0.000 1.140 104 L CA 0.621 55.478 54.840 0.028 0.000 0.842 104 L CB 0.028 42.100 42.059 0.022 0.000 0.953 104 L HN 0.302 nan 8.230 nan 0.000 0.452 105 A N -1.334 121.533 122.820 0.079 0.000 2.431 105 A HA 0.120 4.437 4.320 -0.006 0.000 0.239 105 A C 2.004 179.755 177.584 0.278 0.000 1.230 105 A CA 0.172 52.307 52.037 0.164 0.000 0.928 105 A CB -0.163 18.912 19.000 0.127 0.000 1.006 105 A HN 0.197 nan 8.150 nan 0.000 0.520 106 T N -0.921 113.747 114.554 0.191 0.000 2.812 106 T HA -0.097 4.249 4.350 -0.006 0.000 0.264 106 T C 1.799 176.636 174.700 0.228 0.000 1.042 106 T CA 1.745 63.974 62.100 0.214 0.000 1.140 106 T CB -0.436 68.500 68.868 0.114 0.000 0.870 106 T HN 0.742 nan 8.240 nan 0.000 0.445 107 H N 2.646 121.758 119.070 0.070 0.000 2.265 107 H HA -0.100 4.453 4.556 -0.006 0.000 0.293 107 H C -0.975 174.311 175.328 -0.070 0.000 1.089 107 H CA 2.028 58.077 56.048 0.001 0.000 1.244 107 H CB -1.089 28.659 29.762 -0.024 0.000 1.355 107 H HN 0.263 nan 8.280 nan 0.000 0.485 108 P HA -0.058 nan 4.420 nan 0.000 0.234 108 P C 0.229 177.152 177.300 -0.628 0.000 1.167 108 P CA 1.119 63.905 63.100 -0.524 0.000 0.763 108 P CB -0.062 31.262 31.700 -0.627 0.000 0.835 109 F N -1.401 118.496 119.950 -0.088 0.000 2.678 109 F HA 0.119 4.642 4.527 -0.005 0.000 0.305 109 F C 1.301 177.064 175.800 -0.061 0.000 1.090 109 F CA -0.199 57.766 58.000 -0.058 0.000 1.272 109 F CB -1.138 37.847 39.000 -0.026 0.000 1.060 109 F HN -0.231 nan 8.300 nan 0.000 0.576 110 T N -1.647 112.919 114.554 0.020 0.000 2.926 110 T HA 0.063 4.409 4.350 -0.006 0.000 0.307 110 T C -1.664 173.023 174.700 -0.021 0.000 1.059 110 T CA -1.354 60.744 62.100 -0.003 0.000 1.122 110 T CB 1.109 69.941 68.868 -0.059 0.000 0.972 110 T HN -0.154 nan 8.240 nan 0.000 0.545 111 P HA -0.179 nan 4.420 nan 0.000 0.216 111 P C 1.891 179.177 177.300 -0.024 0.000 1.154 111 P CA 0.861 63.959 63.100 -0.002 0.000 0.865 111 P CB 0.050 31.753 31.700 0.005 0.000 0.789 112 R N -0.420 120.057 120.500 -0.038 0.000 2.081 112 R HA -0.092 4.245 4.340 -0.006 0.000 0.235 112 R C 2.011 178.265 176.300 -0.077 0.000 1.131 112 R CA 1.446 57.517 56.100 -0.047 0.000 0.960 112 R CB -0.414 29.859 30.300 -0.045 0.000 0.856 112 R HN 0.087 nan 8.270 nan 0.000 0.436 113 R N 0.145 120.565 120.500 -0.133 0.000 2.200 113 R HA 0.062 4.399 4.340 -0.006 0.000 0.208 113 R C 2.066 178.289 176.300 -0.128 0.000 1.033 113 R CA 0.277 56.268 56.100 -0.182 0.000 1.000 113 R CB -0.369 29.711 30.300 -0.366 0.000 0.906 113 R HN 0.202 nan 8.270 nan 0.000 0.462 114 I N 0.882 121.402 120.570 -0.082 0.000 2.315 114 I HA -0.171 3.995 4.170 -0.006 0.000 0.248 114 I C 1.778 177.885 176.117 -0.017 0.000 1.117 114 I CA 1.380 62.658 61.300 -0.036 0.000 1.404 114 I CB -1.409 36.594 38.000 0.004 0.000 1.071 114 I HN 0.074 nan 8.210 nan 0.000 0.419 115 T N 1.549 116.091 114.554 -0.020 0.000 2.699 115 T HA -0.197 4.150 4.350 -0.006 0.000 0.268 115 T C 2.010 176.705 174.700 -0.009 0.000 1.036 115 T CA 1.720 63.815 62.100 -0.009 0.000 1.147 115 T CB -0.349 68.512 68.868 -0.012 0.000 0.862 115 T HN 0.467 nan 8.240 nan 0.000 0.446 116 A N 0.267 123.071 122.820 -0.027 0.000 2.015 116 A HA 0.049 4.366 4.320 -0.006 0.000 0.219 116 A C 2.419 179.996 177.584 -0.012 0.000 1.163 116 A CA 1.006 53.028 52.037 -0.025 0.000 0.646 116 A CB -0.664 18.308 19.000 -0.046 0.000 0.806 116 A HN 0.381 nan 8.150 nan 0.000 0.448 117 V N -0.421 119.486 119.914 -0.012 0.000 3.608 117 V HA -0.094 4.023 4.120 -0.006 0.000 0.269 117 V C 2.205 178.357 176.094 0.097 0.000 1.245 117 V CA 1.525 63.841 62.300 0.026 0.000 1.138 117 V CB -0.251 31.560 31.823 -0.019 0.000 0.841 117 V HN 0.775 nan 8.190 nan 0.000 0.451 118 Q N 0.938 120.773 119.800 0.059 0.000 2.077 118 Q HA -0.200 4.137 4.340 -0.006 0.000 0.206 118 Q C -0.309 175.728 176.000 0.061 0.000 0.989 118 Q CA 2.665 58.502 55.803 0.057 0.000 0.853 118 Q CB -0.783 27.974 28.738 0.033 0.000 0.907 118 Q HN 0.523 nan 8.270 nan 0.000 0.418 119 P HA -0.156 nan 4.420 nan 0.000 0.216 119 P C 0.771 178.112 177.300 0.068 0.000 1.150 119 P CA 1.019 64.150 63.100 0.051 0.000 0.837 119 P CB -0.230 31.501 31.700 0.050 0.000 0.786 120 F N 0.312 120.246 119.950 -0.026 0.000 2.102 120 F HA -0.183 4.341 4.527 -0.006 0.000 0.298 120 F C 1.946 177.726 175.800 -0.034 0.000 1.105 120 F CA 1.340 59.320 58.000 -0.033 0.000 1.239 120 F CB -0.869 38.108 39.000 -0.037 0.000 0.991 120 F HN -0.312 nan 8.300 nan 0.000 0.474 121 V N 1.199 121.122 119.914 0.016 0.000 2.287 121 V HA -0.321 3.796 4.120 -0.006 0.000 0.248 121 V C 2.609 178.622 176.094 -0.135 0.000 1.053 121 V CA 2.378 64.634 62.300 -0.074 0.000 1.027 121 V CB -0.871 30.990 31.823 0.062 0.000 0.646 121 V HN 0.351 nan 8.190 nan 0.000 0.447 122 R N -0.132 120.324 120.500 -0.073 0.000 2.081 122 R HA -0.178 4.158 4.340 -0.006 0.000 0.235 122 R C 2.628 178.864 176.300 -0.107 0.000 1.131 122 R CA 1.854 57.918 56.100 -0.060 0.000 0.960 122 R CB -0.456 29.827 30.300 -0.028 0.000 0.856 122 R HN 0.474 nan 8.270 nan 0.000 0.436 123 S N -0.773 114.833 115.700 -0.156 0.000 2.368 123 S HA -0.113 4.353 4.470 -0.006 0.000 0.225 123 S C 1.664 176.110 174.600 -0.257 0.000 1.030 123 S CA 1.865 59.958 58.200 -0.179 0.000 0.999 123 S CB -0.241 62.858 63.200 -0.168 0.000 0.844 123 S HN 0.524 nan 8.310 nan 0.000 0.459 124 T N 1.600 115.900 114.554 -0.423 0.000 2.737 124 T HA -0.041 4.305 4.350 -0.006 0.000 0.265 124 T C 1.860 176.378 174.700 -0.303 0.000 1.038 124 T CA 1.442 63.263 62.100 -0.465 0.000 1.144 124 T CB -0.557 67.894 68.868 -0.696 0.000 0.866 124 T HN 0.258 nan 8.240 nan 0.000 0.434 125 V N 1.500 121.289 119.914 -0.208 0.000 2.287 125 V HA -0.216 3.901 4.120 -0.006 0.000 0.248 125 V C 2.578 178.686 176.094 0.022 0.000 1.053 125 V CA 1.995 64.270 62.300 -0.040 0.000 1.027 125 V CB -0.605 31.272 31.823 0.090 0.000 0.646 125 V HN 0.553 nan 8.190 nan 0.000 0.447 126 E N -0.286 119.893 120.200 -0.034 0.000 2.070 126 E HA -0.312 4.035 4.350 -0.006 0.000 0.197 126 E C 2.305 178.881 176.600 -0.040 0.000 1.004 126 E CA 1.929 58.312 56.400 -0.028 0.000 0.805 126 E CB -0.120 29.551 29.700 -0.049 0.000 0.744 126 E HN 0.686 nan 8.360 nan 0.000 0.451 127 Q N 0.068 119.815 119.800 -0.087 0.000 2.084 127 Q HA -0.151 4.186 4.340 -0.006 0.000 0.202 127 Q C 2.488 178.440 176.000 -0.081 0.000 0.978 127 Q CA 1.286 57.032 55.803 -0.095 0.000 0.844 127 Q CB -0.070 28.584 28.738 -0.139 0.000 0.898 127 Q HN 0.376 nan 8.270 nan 0.000 0.426 128 L N 0.221 121.385 121.223 -0.098 0.000 2.083 128 L HA -0.207 4.130 4.340 -0.006 0.000 0.209 128 L C 2.255 179.175 176.870 0.084 0.000 1.083 128 L CA 0.979 55.782 54.840 -0.060 0.000 0.752 128 L CB -0.317 41.604 42.059 -0.230 0.000 0.899 128 L HN 0.277 nan 8.230 nan 0.000 0.433 129 I N -0.475 120.170 120.570 0.125 0.000 2.252 129 I HA -0.268 3.899 4.170 -0.006 0.000 0.245 129 I C 2.045 178.163 176.117 0.003 0.000 1.102 129 I CA 0.973 62.320 61.300 0.079 0.000 1.385 129 I CB -0.416 37.614 38.000 0.050 0.000 1.064 129 I HN 0.237 nan 8.210 nan 0.000 0.414 130 D N 1.579 121.972 120.400 -0.011 0.000 2.158 130 D HA -0.206 4.431 4.640 -0.006 0.000 0.197 130 D C 1.782 178.060 176.300 -0.036 0.000 0.995 130 D CA 1.417 55.401 54.000 -0.027 0.000 0.846 130 D CB -0.174 40.607 40.800 -0.032 0.000 0.941 130 D HN 0.531 nan 8.370 nan 0.000 0.456 131 K N 0.053 120.429 120.400 -0.040 0.000 2.399 131 K HA 0.180 4.497 4.320 -0.006 0.000 0.204 131 K C 0.568 177.110 176.600 -0.096 0.000 1.023 131 K CA -0.261 55.995 56.287 -0.052 0.000 1.127 131 K CB 0.214 32.694 32.500 -0.034 0.000 0.856 131 K HN 0.043 nan 8.250 nan 0.000 0.514 132 L N 3.048 124.195 121.223 -0.126 0.000 2.514 132 L HA 0.101 4.437 4.340 -0.006 0.000 0.280 132 L C -1.922 174.697 176.870 -0.419 0.000 1.223 132 L CA -1.631 53.020 54.840 -0.314 0.000 0.864 132 L CB -0.052 41.881 42.059 -0.209 0.000 1.118 132 L HN 0.029 nan 8.230 nan 0.000 0.494 133 P HA 0.012 nan 4.420 nan 0.000 0.270 133 P C -0.282 176.879 177.300 -0.231 0.000 1.223 133 P CA -0.338 62.458 63.100 -0.507 0.000 0.785 133 P CB 0.401 31.709 31.700 -0.654 0.000 0.923 134 Q N 0.206 119.986 119.800 -0.034 0.000 2.319 134 Q HA 0.221 4.557 4.340 -0.006 0.000 0.209 134 Q C 0.863 176.946 176.000 0.137 0.000 0.884 134 Q CA 0.262 56.107 55.803 0.070 0.000 0.938 134 Q CB 0.257 29.014 28.738 0.032 0.000 1.098 134 Q HN 0.513 nan 8.270 nan 0.000 0.517 135 G N 1.082 109.980 108.800 0.164 0.000 3.310 135 G HA2 0.215 4.172 3.960 -0.006 0.000 0.176 135 G HA3 0.215 4.172 3.960 -0.006 0.000 0.176 135 G C -0.944 174.084 174.900 0.213 0.000 1.307 135 G CA -0.434 44.756 45.100 0.149 0.000 0.935 135 G HN 0.029 nan 8.290 nan 0.000 0.628 136 D N 0.666 121.137 120.400 0.118 0.000 2.304 136 D HA 0.538 5.174 4.640 -0.006 0.000 0.250 136 D C -0.476 175.922 176.300 0.163 0.000 1.107 136 D CA 0.351 54.369 54.000 0.030 0.000 0.885 136 D CB 1.170 41.959 40.800 -0.018 0.000 1.192 136 D HN 0.295 nan 8.370 nan 0.000 0.436 137 F N -1.372 118.579 119.950 0.003 0.000 2.713 137 F HA 0.320 4.844 4.527 -0.005 0.000 0.311 137 F C -0.844 175.032 175.800 0.128 0.000 1.141 137 F CA -1.449 56.578 58.000 0.045 0.000 0.939 137 F CB 0.970 39.917 39.000 -0.089 0.000 1.325 137 F HN -0.062 nan 8.300 nan 0.000 0.453 138 D N 1.680 122.330 120.400 0.417 0.000 2.339 138 D HA 0.076 4.712 4.640 -0.006 0.000 0.256 138 D C 0.435 177.058 176.300 0.538 0.000 1.214 138 D CA -0.023 54.171 54.000 0.323 0.000 0.877 138 D CB 0.461 41.406 40.800 0.242 0.000 1.111 138 D HN 0.568 nan 8.370 nan 0.000 0.478 139 F N 4.076 124.142 119.950 0.193 0.000 2.234 139 F HA -0.142 4.382 4.527 -0.005 0.000 0.299 139 F C 1.745 177.750 175.800 0.342 0.000 1.087 139 F CA 0.883 59.076 58.000 0.322 0.000 1.340 139 F CB 0.154 39.216 39.000 0.105 0.000 1.031 139 F HN 0.307 nan 8.300 nan 0.000 0.500 140 V N 0.466 120.525 119.914 0.242 0.000 2.261 140 V HA -0.346 3.771 4.120 -0.006 0.000 0.246 140 V C 2.445 178.607 176.094 0.114 0.000 1.047 140 V CA 2.313 64.685 62.300 0.121 0.000 1.015 140 V CB -0.964 30.894 31.823 0.058 0.000 0.642 140 V HN 0.418 nan 8.190 nan 0.000 0.446 141 Q N -0.407 119.457 119.800 0.107 0.000 2.077 141 Q HA -0.284 4.052 4.340 -0.006 0.000 0.206 141 Q C 2.051 178.016 176.000 -0.059 0.000 0.989 141 Q CA 2.548 58.358 55.803 0.011 0.000 0.853 141 Q CB -0.096 28.568 28.738 -0.123 0.000 0.907 141 Q HN 0.829 nan 8.270 nan 0.000 0.418 142 H N -2.747 116.407 119.070 0.139 0.000 2.563 142 H HA 0.143 4.696 4.556 -0.006 0.000 0.264 142 H C 0.343 175.676 175.328 0.009 0.000 0.957 142 H CA 0.840 56.932 56.048 0.073 0.000 1.173 142 H CB 0.594 30.387 29.762 0.050 0.000 1.420 142 H HN 0.271 nan 8.280 nan 0.000 0.551 143 F N -1.263 118.555 119.950 -0.220 0.000 1.975 143 F HA 0.330 4.854 4.527 -0.006 0.000 0.259 143 F C 2.025 177.630 175.800 -0.325 0.000 1.011 143 F CA 0.604 58.371 58.000 -0.389 0.000 1.196 143 F CB -0.334 38.222 39.000 -0.740 0.000 1.427 143 F HN -0.018 nan 8.300 nan 0.000 0.669 144 A N -0.257 122.490 122.820 -0.121 0.000 1.972 144 A HA -0.199 4.117 4.320 -0.006 0.000 0.219 144 A C 1.774 179.375 177.584 0.029 0.000 1.169 144 A CA 2.339 54.427 52.037 0.085 0.000 0.635 144 A CB -1.195 17.927 19.000 0.204 0.000 0.810 144 A HN 0.735 nan 8.150 nan 0.000 0.446 145 H N -0.044 119.009 119.070 -0.028 0.000 2.329 145 H HA 0.061 4.614 4.556 -0.006 0.000 0.306 145 H C -0.833 174.600 175.328 0.175 0.000 1.062 145 H CA 1.552 57.651 56.048 0.085 0.000 1.364 145 H CB -1.164 28.675 29.762 0.128 0.000 1.409 145 H HN 0.266 nan 8.280 nan 0.000 0.519 146 P HA -0.160 nan 4.420 nan 0.000 0.215 146 P C 1.825 178.933 177.300 -0.321 0.000 1.157 146 P CA 1.279 64.138 63.100 -0.401 0.000 0.868 146 P CB -0.107 31.369 31.700 -0.374 0.000 0.788 147 L N 0.795 121.795 121.223 -0.371 0.000 1.970 147 L HA -0.082 4.255 4.340 -0.006 0.000 0.212 147 L C -0.886 175.937 176.870 -0.079 0.000 1.071 147 L CA 2.851 57.495 54.840 -0.326 0.000 0.751 147 L CB -2.341 39.427 42.059 -0.485 0.000 0.889 147 L HN 0.044 nan 8.230 nan 0.000 0.432 148 P HA -0.089 nan 4.420 nan 0.000 0.221 148 P C 1.350 178.816 177.300 0.277 0.000 1.150 148 P CA 1.786 64.976 63.100 0.150 0.000 0.800 148 P CB -0.151 31.617 31.700 0.114 0.000 0.787 149 A N 0.314 123.326 122.820 0.320 0.000 1.873 149 A HA -0.114 4.203 4.320 -0.006 0.000 0.215 149 A C 2.379 180.083 177.584 0.199 0.000 1.186 149 A CA 1.279 53.483 52.037 0.277 0.000 0.616 149 A CB -1.598 17.526 19.000 0.208 0.000 0.823 149 A HN 0.118 nan 8.150 nan 0.000 0.442 150 L N -0.664 120.630 121.223 0.119 0.000 2.093 150 L HA -0.137 4.199 4.340 -0.006 0.000 0.208 150 L C 2.526 179.542 176.870 0.243 0.000 1.085 150 L CA 0.868 55.785 54.840 0.128 0.000 0.755 150 L CB -0.409 41.621 42.059 -0.048 0.000 0.904 150 L HN 0.238 nan 8.230 nan 0.000 0.435 151 V N -0.574 119.486 119.914 0.244 0.000 2.295 151 V HA -0.300 3.816 4.120 -0.006 0.000 0.246 151 V C 2.554 178.724 176.094 0.126 0.000 1.049 151 V CA 1.522 63.982 62.300 0.267 0.000 1.024 151 V CB -0.375 31.587 31.823 0.232 0.000 0.648 151 V HN 0.360 nan 8.190 nan 0.000 0.447 152 M N -1.180 118.514 119.600 0.155 0.000 2.117 152 M HA -0.162 4.315 4.480 -0.006 0.000 0.262 152 M C 2.355 178.669 176.300 0.022 0.000 1.065 152 M CA 1.523 56.897 55.300 0.123 0.000 1.114 152 M CB -1.884 30.837 32.600 0.202 0.000 1.361 152 M HN 0.429 nan 8.290 nan 0.000 0.408 153 C N 0.198 119.564 119.300 0.110 0.000 2.413 153 C HA -0.185 4.272 4.460 -0.006 0.000 0.276 153 C C 2.907 177.851 174.990 -0.077 0.000 1.248 153 C CA 1.239 60.327 59.018 0.116 0.000 1.742 153 C CB -1.049 26.841 27.740 0.249 0.000 2.017 153 C HN 0.578 nan 8.230 nan 0.000 0.481 154 Q N 0.398 120.124 119.800 -0.124 0.000 2.079 154 Q HA -0.097 4.239 4.340 -0.006 0.000 0.200 154 Q C 1.870 177.680 176.000 -0.316 0.000 0.974 154 Q CA 1.742 57.346 55.803 -0.331 0.000 0.840 154 Q CB -0.414 27.847 28.738 -0.794 0.000 0.898 154 Q HN 0.488 nan 8.270 nan 0.000 0.430 155 L N -0.550 120.517 121.223 -0.260 0.000 2.109 155 L HA 0.005 4.342 4.340 -0.006 0.000 0.207 155 L C 1.832 178.538 176.870 -0.273 0.000 1.086 155 L CA 1.310 55.997 54.840 -0.255 0.000 0.760 155 L CB -0.299 41.639 42.059 -0.201 0.000 0.910 155 L HN 0.262 nan 8.230 nan 0.000 0.437 156 L N -1.363 119.632 121.223 -0.380 0.000 2.592 156 L HA 0.263 4.600 4.340 -0.006 0.000 0.227 156 L C 1.332 177.806 176.870 -0.661 0.000 1.127 156 L CA 0.539 55.024 54.840 -0.592 0.000 0.884 156 L CB -0.289 41.187 42.059 -0.972 0.000 1.065 156 L HN 0.431 nan 8.230 nan 0.000 0.457 157 G N -0.313 108.230 108.800 -0.429 0.000 2.136 157 G HA2 -0.278 3.678 3.960 -0.006 0.000 0.242 157 G HA3 -0.278 3.678 3.960 -0.006 0.000 0.242 157 G C 0.028 174.915 174.900 -0.021 0.000 0.989 157 G CA -0.405 44.574 45.100 -0.201 0.000 0.682 157 G HN 0.100 nan 8.290 nan 0.000 0.522 158 F N 0.675 120.658 119.950 0.055 0.000 2.389 158 F HA 0.515 5.038 4.527 -0.006 0.000 0.337 158 F C -1.375 174.478 175.800 0.089 0.000 1.112 158 F CA -3.266 54.800 58.000 0.110 0.000 1.192 158 F CB 0.020 39.148 39.000 0.214 0.000 1.185 158 F HN -0.161 nan 8.300 nan 0.000 0.552 159 P HA 0.050 nan 4.420 nan 0.000 0.264 159 P C 0.938 178.363 177.300 0.209 0.000 1.183 159 P CA 0.223 63.437 63.100 0.191 0.000 0.763 159 P CB 0.543 32.337 31.700 0.157 0.000 0.807 160 L N 2.555 123.878 121.223 0.166 0.000 2.201 160 L HA -0.154 4.183 4.340 -0.006 0.000 0.212 160 L C 2.070 179.083 176.870 0.238 0.000 1.105 160 L CA 1.376 56.325 54.840 0.181 0.000 0.775 160 L CB -0.723 41.419 42.059 0.139 0.000 0.913 160 L HN 0.522 nan 8.230 nan 0.000 0.440 161 E N -0.724 119.597 120.200 0.202 0.000 2.478 161 E HA -0.174 4.172 4.350 -0.006 0.000 0.198 161 E C 0.595 177.300 176.600 0.175 0.000 1.046 161 E CA 0.751 57.282 56.400 0.218 0.000 0.870 161 E CB -0.093 29.685 29.700 0.130 0.000 0.818 161 E HN 0.355 nan 8.360 nan 0.000 0.527 162 D N 0.559 121.059 120.400 0.166 0.000 2.340 162 D HA -0.033 4.603 4.640 -0.006 0.000 0.220 162 D C 1.203 177.494 176.300 -0.015 0.000 1.039 162 D CA 0.149 54.188 54.000 0.065 0.000 0.866 162 D CB -0.204 40.685 40.800 0.149 0.000 0.913 162 D HN 0.522 nan 8.370 nan 0.000 0.523 163 Y N -0.043 120.256 120.300 -0.002 0.000 2.165 163 Y HA -0.160 4.387 4.550 -0.006 0.000 0.286 163 Y C 1.690 177.572 175.900 -0.031 0.000 1.155 163 Y CA 1.215 59.298 58.100 -0.028 0.000 1.164 163 Y CB -0.389 38.044 38.460 -0.045 0.000 0.978 163 Y HN -0.161 nan 8.280 nan 0.000 0.513 164 D N 0.393 120.250 120.400 -0.904 0.000 2.097 164 D HA -0.128 4.509 4.640 -0.006 0.000 0.197 164 D C 1.992 178.114 176.300 -0.297 0.000 0.984 164 D CA 2.138 55.833 54.000 -0.509 0.000 0.826 164 D CB -0.097 40.346 40.800 -0.596 0.000 0.973 164 D HN 0.512 nan 8.370 nan 0.000 0.460 165 T N 0.695 115.059 114.554 -0.316 0.000 2.684 165 T HA -0.115 4.232 4.350 -0.006 0.000 0.267 165 T C 2.255 176.703 174.700 -0.420 0.000 1.036 165 T CA 0.834 62.742 62.100 -0.319 0.000 1.148 165 T CB -0.407 68.289 68.868 -0.288 0.000 0.863 165 T HN -0.033 nan 8.240 nan 0.000 0.436 166 V N 1.452 121.085 119.914 -0.469 0.000 2.287 166 V HA -0.130 3.986 4.120 -0.006 0.000 0.248 166 V C 2.874 178.689 176.094 -0.464 0.000 1.053 166 V CA 2.044 64.034 62.300 -0.517 0.000 1.027 166 V CB -1.406 30.211 31.823 -0.343 0.000 0.646 166 V HN 0.619 nan 8.190 nan 0.000 0.447 167 G N -0.674 107.876 108.800 -0.417 0.000 2.421 167 G HA2 -0.297 3.660 3.960 -0.006 0.000 0.216 167 G HA3 -0.297 3.660 3.960 -0.006 0.000 0.216 167 G C 1.726 176.320 174.900 -0.510 0.000 1.171 167 G CA 0.922 45.604 45.100 -0.696 0.000 0.775 167 G HN 0.412 nan 8.290 nan 0.000 0.543 168 R N -0.204 120.084 120.500 -0.354 0.000 2.105 168 R HA 0.051 4.388 4.340 -0.006 0.000 0.239 168 R C 2.592 178.746 176.300 -0.243 0.000 1.135 168 R CA 1.010 56.945 56.100 -0.275 0.000 0.967 168 R CB -0.324 29.829 30.300 -0.245 0.000 0.861 168 R HN 0.395 nan 8.270 nan 0.000 0.442 169 L N -0.157 120.889 121.223 -0.296 0.000 2.093 169 L HA -0.150 4.187 4.340 -0.006 0.000 0.208 169 L C 2.422 179.145 176.870 -0.244 0.000 1.085 169 L CA 1.231 55.906 54.840 -0.275 0.000 0.755 169 L CB -0.219 41.632 42.059 -0.346 0.000 0.904 169 L HN 0.188 nan 8.230 nan 0.000 0.435 170 S N 0.004 115.545 115.700 -0.266 0.000 2.355 170 S HA -0.100 4.366 4.470 -0.006 0.000 0.222 170 S C 1.959 176.534 174.600 -0.042 0.000 1.031 170 S CA 1.126 59.230 58.200 -0.159 0.000 0.993 170 S CB -0.219 62.882 63.200 -0.165 0.000 0.859 170 S HN 0.265 nan 8.310 nan 0.000 0.453 171 I N 1.588 122.151 120.570 -0.011 0.000 2.179 171 I HA -0.189 3.978 4.170 -0.006 0.000 0.242 171 I C 2.157 178.264 176.117 -0.016 0.000 1.088 171 I CA 1.337 62.668 61.300 0.051 0.000 1.357 171 I CB -0.308 37.724 38.000 0.053 0.000 1.051 171 I HN 0.297 nan 8.210 nan 0.000 0.409 172 E N -0.006 120.151 120.200 -0.071 0.000 2.511 172 E HA -0.112 4.235 4.350 -0.006 0.000 0.196 172 E C 1.878 178.422 176.600 -0.093 0.000 1.066 172 E CA 1.061 57.415 56.400 -0.077 0.000 0.871 172 E CB -0.022 29.623 29.700 -0.092 0.000 0.863 172 E HN 0.604 nan 8.360 nan 0.000 0.520 173 T N -1.898 112.585 114.554 -0.118 0.000 2.995 173 T HA -0.134 4.213 4.350 -0.006 0.000 0.269 173 T C 0.705 175.342 174.700 -0.106 0.000 1.091 173 T CA 0.672 62.678 62.100 -0.156 0.000 1.128 173 T CB -0.396 68.329 68.868 -0.239 0.000 0.891 173 T HN 0.189 nan 8.240 nan 0.000 0.492 174 N N 0.589 119.255 118.700 -0.057 0.000 2.727 174 N HA -0.132 4.604 4.740 -0.006 0.000 0.249 174 N C 0.511 176.010 175.510 -0.019 0.000 1.048 174 N CA 0.385 53.422 53.050 -0.022 0.000 0.714 174 N CB -1.461 37.017 38.487 -0.016 0.000 0.959 174 N HN 0.439 nan 8.380 nan 0.000 0.544 175 L N -1.173 120.033 121.223 -0.029 0.000 2.362 175 L HA -0.048 4.288 4.340 -0.006 0.000 0.219 175 L C 2.519 179.410 176.870 0.035 0.000 1.134 175 L CA 1.234 56.063 54.840 -0.019 0.000 0.807 175 L CB -0.261 41.773 42.059 -0.041 0.000 0.927 175 L HN 0.541 nan 8.230 nan 0.000 0.447 176 G N -0.302 108.523 108.800 0.042 0.000 2.559 176 G HA2 -0.110 3.847 3.960 -0.006 0.000 0.216 176 G HA3 -0.110 3.847 3.960 -0.006 0.000 0.216 176 G C 1.382 176.320 174.900 0.064 0.000 1.126 176 G CA 0.232 45.367 45.100 0.059 0.000 0.778 176 G HN 0.328 nan 8.290 nan 0.000 0.543 177 L N 0.083 121.336 121.223 0.050 0.000 2.766 177 L HA 0.329 4.665 4.340 -0.006 0.000 0.242 177 L C 2.618 179.519 176.870 0.052 0.000 1.136 177 L CA 0.198 55.068 54.840 0.050 0.000 0.933 177 L CB 0.498 42.579 42.059 0.037 0.000 1.241 177 L HN 0.200 nan 8.230 nan 0.000 0.522 178 A N 0.024 122.878 122.820 0.057 0.000 2.066 178 A HA 0.024 4.340 4.320 -0.006 0.000 0.218 178 A C 1.367 179.003 177.584 0.087 0.000 1.157 178 A CA 0.509 52.583 52.037 0.062 0.000 0.670 178 A CB -0.245 18.788 19.000 0.054 0.000 0.804 178 A HN 0.318 nan 8.150 nan 0.000 0.453 179 L N 1.406 122.691 121.223 0.104 0.000 2.382 179 L HA 0.216 4.552 4.340 -0.006 0.000 0.259 179 L C 0.342 177.262 176.870 0.082 0.000 1.291 179 L CA -0.157 54.749 54.840 0.111 0.000 1.176 179 L CB -0.487 41.647 42.059 0.125 0.000 1.373 179 L HN 0.334 nan 8.230 nan 0.000 0.426 180 S N 0.946 116.690 115.700 0.072 0.000 2.615 180 S HA 0.352 4.819 4.470 -0.006 0.000 0.269 180 S C -0.026 174.605 174.600 0.051 0.000 1.161 180 S CA -0.616 57.617 58.200 0.055 0.000 0.817 180 S CB 1.430 64.658 63.200 0.046 0.000 1.131 180 S HN 0.651 nan 8.310 nan 0.000 0.467 181 N N 0.518 119.243 118.700 0.040 0.000 2.159 181 N HA 0.202 4.938 4.740 -0.006 0.000 0.217 181 N C -0.695 174.833 175.510 0.029 0.000 1.223 181 N CA -0.426 52.646 53.050 0.037 0.000 0.896 181 N CB 0.261 38.769 38.487 0.034 0.000 1.064 181 N HN 0.421 nan 8.380 nan 0.000 0.518 182 D N 1.701 122.117 120.400 0.027 0.000 2.417 182 D HA -0.049 4.588 4.640 -0.006 0.000 0.250 182 D C 1.326 177.639 176.300 0.021 0.000 1.166 182 D CA -0.023 53.989 54.000 0.021 0.000 0.881 182 D CB 1.139 41.950 40.800 0.019 0.000 1.164 182 D HN 0.426 nan 8.370 nan 0.000 0.467 183 Q N 2.457 122.268 119.800 0.018 0.000 2.167 183 Q HA -0.155 4.182 4.340 -0.006 0.000 0.202 183 Q C 0.548 176.557 176.000 0.015 0.000 0.970 183 Q CA 1.126 56.939 55.803 0.017 0.000 0.855 183 Q CB -0.057 28.691 28.738 0.015 0.000 0.911 183 Q HN 0.407 nan 8.270 nan 0.000 0.438 184 D N 1.667 122.075 120.400 0.013 0.000 2.097 184 D HA -0.127 4.509 4.640 -0.006 0.000 0.195 184 D C 1.917 178.223 176.300 0.011 0.000 0.989 184 D CA 1.165 55.172 54.000 0.011 0.000 0.827 184 D CB -0.055 40.751 40.800 0.010 0.000 0.966 184 D HN 0.221 nan 8.370 nan 0.000 0.456 185 I N 0.381 120.960 120.570 0.014 0.000 2.252 185 I HA -0.150 4.017 4.170 -0.006 0.000 0.245 185 I C 2.324 178.449 176.117 0.014 0.000 1.102 185 I CA 0.899 62.208 61.300 0.015 0.000 1.385 185 I CB -0.981 37.032 38.000 0.022 0.000 1.064 185 I HN 0.105 nan 8.210 nan 0.000 0.414 186 L N -0.101 121.133 121.223 0.018 0.000 2.201 186 L HA -0.133 4.203 4.340 -0.006 0.000 0.212 186 L C 2.603 179.481 176.870 0.014 0.000 1.105 186 L CA 0.436 55.288 54.840 0.020 0.000 0.775 186 L CB -0.425 41.651 42.059 0.028 0.000 0.913 186 L HN 0.027 nan 8.230 nan 0.000 0.440 187 V N 0.002 119.923 119.914 0.011 0.000 2.295 187 V HA -0.294 3.822 4.120 -0.006 0.000 0.246 187 V C 2.472 178.565 176.094 -0.002 0.000 1.049 187 V CA 1.768 64.072 62.300 0.006 0.000 1.024 187 V CB -0.423 31.404 31.823 0.006 0.000 0.648 187 V HN 0.420 nan 8.190 nan 0.000 0.447 188 K N -0.352 120.046 120.400 -0.004 0.000 2.057 188 K HA -0.136 4.181 4.320 -0.006 0.000 0.207 188 K C 2.046 178.631 176.600 -0.025 0.000 1.049 188 K CA 1.457 57.736 56.287 -0.013 0.000 0.931 188 K CB -0.381 32.114 32.500 -0.009 0.000 0.714 188 K HN 0.345 nan 8.250 nan 0.000 0.440 189 V N 1.529 121.430 119.914 -0.022 0.000 2.295 189 V HA -0.247 3.870 4.120 -0.006 0.000 0.246 189 V C 2.328 178.391 176.094 -0.051 0.000 1.049 189 V CA 1.858 64.134 62.300 -0.041 0.000 1.024 189 V CB -0.436 31.372 31.823 -0.024 0.000 0.648 189 V HN 0.399 nan 8.190 nan 0.000 0.447 190 E N -0.162 120.026 120.200 -0.019 0.000 2.051 190 E HA -0.283 4.063 4.350 -0.006 0.000 0.192 190 E C 2.324 178.917 176.600 -0.011 0.000 0.991 190 E CA 1.585 57.983 56.400 -0.003 0.000 0.799 190 E CB -0.103 29.608 29.700 0.019 0.000 0.748 190 E HN 0.656 nan 8.360 nan 0.000 0.449 191 Q N -0.589 119.200 119.800 -0.017 0.000 2.096 191 Q HA -0.143 4.193 4.340 -0.006 0.000 0.204 191 Q C 2.172 178.145 176.000 -0.046 0.000 0.982 191 Q CA 1.345 57.135 55.803 -0.022 0.000 0.850 191 Q CB -0.211 28.514 28.738 -0.021 0.000 0.901 191 Q HN 0.409 nan 8.270 nan 0.000 0.422 192 G N 0.510 109.267 108.800 -0.071 0.000 2.394 192 G HA2 -0.188 3.768 3.960 -0.006 0.000 0.215 192 G HA3 -0.188 3.768 3.960 -0.006 0.000 0.215 192 G C 1.390 176.189 174.900 -0.170 0.000 1.165 192 G CA 0.298 45.331 45.100 -0.113 0.000 0.784 192 G HN 0.165 nan 8.290 nan 0.000 0.535 193 L N 0.798 121.911 121.223 -0.183 0.000 2.046 193 L HA 0.017 4.354 4.340 -0.006 0.000 0.208 193 L C 3.174 179.975 176.870 -0.115 0.000 1.077 193 L CA 1.014 55.685 54.840 -0.281 0.000 0.747 193 L CB -0.632 41.292 42.059 -0.226 0.000 0.896 193 L HN 0.324 nan 8.230 nan 0.000 0.432 194 G N -0.285 108.528 108.800 0.022 0.000 2.446 194 G HA2 -0.250 3.707 3.960 -0.006 0.000 0.217 194 G HA3 -0.250 3.707 3.960 -0.006 0.000 0.217 194 G C 1.739 176.671 174.900 0.053 0.000 1.168 194 G CA 0.491 45.650 45.100 0.098 0.000 0.771 194 G HN 0.264 nan 8.290 nan 0.000 0.551 195 R N -0.822 119.666 120.500 -0.021 0.000 2.092 195 R HA -0.008 4.329 4.340 -0.006 0.000 0.231 195 R C 2.481 178.743 176.300 -0.063 0.000 1.119 195 R CA 1.485 57.563 56.100 -0.037 0.000 0.970 195 R CB -0.340 29.922 30.300 -0.064 0.000 0.864 195 R HN 0.456 nan 8.270 nan 0.000 0.440 196 M N 0.002 119.508 119.600 -0.157 0.000 2.132 196 M HA -0.094 4.383 4.480 -0.006 0.000 0.263 196 M C 1.405 177.605 176.300 -0.166 0.000 1.065 196 M CA 1.742 56.894 55.300 -0.246 0.000 1.122 196 M CB -0.255 32.080 32.600 -0.442 0.000 1.365 196 M HN -0.051 nan 8.290 nan 0.000 0.411 197 F N 0.837 120.762 119.950 -0.042 0.000 2.293 197 F HA -0.102 4.422 4.527 -0.005 0.000 0.300 197 F C 1.938 177.735 175.800 -0.005 0.000 1.086 197 F CA 1.214 59.204 58.000 -0.016 0.000 1.375 197 F CB -1.126 37.864 39.000 -0.017 0.000 1.045 197 F HN 0.219 nan 8.300 nan 0.000 0.516 198 D N -1.080 119.416 120.400 0.160 0.000 2.104 198 D HA -0.255 4.382 4.640 -0.006 0.000 0.194 198 D C 2.082 178.416 176.300 0.057 0.000 0.994 198 D CA 1.381 55.433 54.000 0.086 0.000 0.830 198 D CB -0.693 40.140 40.800 0.054 0.000 0.959 198 D HN 0.333 nan 8.370 nan 0.000 0.452 199 Y N 0.440 120.694 120.300 -0.077 0.000 2.163 199 Y HA -0.152 4.395 4.550 -0.005 0.000 0.288 199 Y C 1.986 177.799 175.900 -0.145 0.000 1.136 199 Y CA 0.991 59.001 58.100 -0.149 0.000 1.147 199 Y CB -0.149 38.166 38.460 -0.241 0.000 0.987 199 Y HN -0.113 nan 8.280 nan 0.000 0.509 200 L N -0.752 120.527 121.223 0.094 0.000 2.027 200 L HA -0.186 4.151 4.340 -0.006 0.000 0.206 200 L C 2.490 179.395 176.870 0.058 0.000 1.074 200 L CA 1.333 56.236 54.840 0.106 0.000 0.745 200 L CB -1.321 40.868 42.059 0.216 0.000 0.898 200 L HN 0.136 nan 8.230 nan 0.000 0.433 201 V N -0.271 119.685 119.914 0.071 0.000 2.332 201 V HA -0.315 3.802 4.120 -0.006 0.000 0.248 201 V C 2.712 178.782 176.094 -0.039 0.000 1.055 201 V CA 1.612 63.922 62.300 0.016 0.000 1.038 201 V CB -1.176 30.660 31.823 0.022 0.000 0.651 201 V HN 0.506 nan 8.190 nan 0.000 0.450 202 A N -0.048 122.722 122.820 -0.083 0.000 1.908 202 A HA -0.150 4.167 4.320 -0.006 0.000 0.218 202 A C 2.426 179.923 177.584 -0.144 0.000 1.181 202 A CA 2.224 54.184 52.037 -0.128 0.000 0.627 202 A CB -0.787 18.101 19.000 -0.187 0.000 0.818 202 A HN 0.584 nan 8.150 nan 0.000 0.445 203 A N -0.251 122.451 122.820 -0.196 0.000 1.898 203 A HA -0.047 4.270 4.320 -0.006 0.000 0.216 203 A C 2.120 179.709 177.584 0.008 0.000 1.181 203 A CA 1.497 53.481 52.037 -0.089 0.000 0.620 203 A CB -0.577 18.418 19.000 -0.007 0.000 0.819 203 A HN 0.488 nan 8.150 nan 0.000 0.442 204 I N -0.323 120.251 120.570 0.007 0.000 2.179 204 I HA -0.205 3.962 4.170 -0.006 0.000 0.242 204 I C 2.366 178.464 176.117 -0.032 0.000 1.088 204 I CA 1.236 62.528 61.300 -0.014 0.000 1.357 204 I CB -0.292 37.680 38.000 -0.048 0.000 1.051 204 I HN 0.242 nan 8.210 nan 0.000 0.409 205 E N 0.776 120.956 120.200 -0.032 0.000 2.153 205 E HA -0.233 4.114 4.350 -0.006 0.000 0.194 205 E C 2.061 178.667 176.600 0.011 0.000 0.988 205 E CA 1.066 57.459 56.400 -0.010 0.000 0.811 205 E CB -0.198 29.494 29.700 -0.014 0.000 0.746 205 E HN 0.439 nan 8.360 nan 0.000 0.466 206 K N 0.325 120.723 120.400 -0.002 0.000 2.057 206 K HA -0.047 4.269 4.320 -0.006 0.000 0.206 206 K C 1.994 178.611 176.600 0.027 0.000 1.050 206 K CA 0.675 56.966 56.287 0.007 0.000 0.935 206 K CB 0.212 32.706 32.500 -0.010 0.000 0.715 206 K HN -0.116 nan 8.250 nan 0.000 0.439 207 R N 0.798 121.315 120.500 0.028 0.000 2.189 207 R HA -0.036 4.300 4.340 -0.006 0.000 0.218 207 R C 1.812 178.157 176.300 0.075 0.000 1.074 207 R CA 0.889 57.012 56.100 0.039 0.000 0.991 207 R CB -0.141 30.173 30.300 0.024 0.000 0.883 207 R HN 0.213 nan 8.270 nan 0.000 0.457 208 K N 0.494 120.946 120.400 0.088 0.000 2.147 208 K HA -0.090 4.227 4.320 -0.006 0.000 0.205 208 K C 1.959 178.696 176.600 0.229 0.000 1.049 208 K CA 1.661 58.072 56.287 0.206 0.000 0.936 208 K CB 0.124 32.738 32.500 0.190 0.000 0.722 208 K HN 0.146 nan 8.250 nan 0.000 0.446 209 V N -2.386 117.601 119.914 0.121 0.000 3.085 209 V HA 0.116 4.233 4.120 -0.006 0.000 0.245 209 V C 0.664 176.794 176.094 0.059 0.000 1.114 209 V CA 0.250 62.598 62.300 0.080 0.000 1.108 209 V CB 0.226 32.080 31.823 0.052 0.000 0.798 209 V HN 0.088 nan 8.190 nan 0.000 0.471 210 E N 2.679 122.911 120.200 0.054 0.000 2.675 210 E HA 0.387 4.733 4.350 -0.006 0.000 0.236 210 E C -2.840 173.784 176.600 0.039 0.000 1.059 210 E CA -2.071 54.352 56.400 0.039 0.000 0.775 210 E CB 1.949 31.664 29.700 0.025 0.000 1.356 210 E HN 0.436 nan 8.360 nan 0.000 0.403 211 P HA 0.261 nan 4.420 nan 0.000 0.278 211 P C -0.049 177.262 177.300 0.017 0.000 1.238 211 P CA -0.111 63.012 63.100 0.039 0.000 0.794 211 P CB 1.873 33.609 31.700 0.059 0.000 0.955 212 G N 1.081 109.883 108.800 0.003 0.000 2.890 212 G HA2 0.266 4.222 3.960 -0.006 0.000 0.189 212 G HA3 0.266 4.222 3.960 -0.006 0.000 0.189 212 G C 0.183 175.070 174.900 -0.022 0.000 1.342 212 G CA -0.381 44.712 45.100 -0.011 0.000 1.026 212 G HN 0.552 nan 8.290 nan 0.000 0.579 213 D N -0.384 119.994 120.400 -0.036 0.000 2.369 213 D HA -0.010 4.627 4.640 -0.006 0.000 0.211 213 D C 0.021 176.285 176.300 -0.061 0.000 1.077 213 D CA -0.142 53.832 54.000 -0.043 0.000 0.842 213 D CB -0.217 40.558 40.800 -0.042 0.000 0.947 213 D HN 0.461 nan 8.370 nan 0.000 0.509 214 D N 0.624 120.979 120.400 -0.075 0.000 2.384 214 D HA -0.071 4.565 4.640 -0.006 0.000 0.244 214 D C 1.393 177.638 176.300 -0.092 0.000 1.251 214 D CA -0.677 53.257 54.000 -0.109 0.000 0.961 214 D CB 1.926 42.644 40.800 -0.136 0.000 1.116 214 D HN -0.030 nan 8.370 nan 0.000 0.484 215 L N 0.398 121.552 121.223 -0.115 0.000 2.093 215 L HA -0.130 4.207 4.340 -0.006 0.000 0.208 215 L C 2.345 179.190 176.870 -0.041 0.000 1.085 215 L CA 1.874 56.673 54.840 -0.068 0.000 0.755 215 L CB -0.968 41.055 42.059 -0.061 0.000 0.904 215 L HN 0.539 nan 8.230 nan 0.000 0.435 216 T N -0.897 113.615 114.554 -0.070 0.000 2.720 216 T HA -0.175 4.172 4.350 -0.006 0.000 0.268 216 T C 1.986 176.674 174.700 -0.019 0.000 1.037 216 T CA 1.721 63.804 62.100 -0.028 0.000 1.144 216 T CB -0.351 68.506 68.868 -0.017 0.000 0.864 216 T HN 0.406 nan 8.240 nan 0.000 0.444 217 S N 1.217 116.900 115.700 -0.028 0.000 2.368 217 S HA -0.137 4.330 4.470 -0.006 0.000 0.225 217 S C 1.874 176.468 174.600 -0.011 0.000 1.030 217 S CA 1.096 59.288 58.200 -0.014 0.000 0.999 217 S CB -0.469 62.722 63.200 -0.015 0.000 0.844 217 S HN 0.486 nan 8.310 nan 0.000 0.459 218 D N 1.487 121.876 120.400 -0.019 0.000 2.104 218 D HA -0.079 4.558 4.640 -0.006 0.000 0.194 218 D C 1.830 178.130 176.300 -0.000 0.000 0.994 218 D CA 1.044 55.035 54.000 -0.016 0.000 0.830 218 D CB -0.394 40.394 40.800 -0.020 0.000 0.959 218 D HN 0.380 nan 8.370 nan 0.000 0.452 219 I N 0.418 120.991 120.570 0.006 0.000 2.315 219 I HA -0.184 3.983 4.170 -0.006 0.000 0.248 219 I C 2.458 178.585 176.117 0.016 0.000 1.117 219 I CA 0.356 61.667 61.300 0.018 0.000 1.404 219 I CB -0.101 37.912 38.000 0.022 0.000 1.071 219 I HN -0.137 nan 8.210 nan 0.000 0.419 220 V N 0.933 120.834 119.914 -0.022 0.000 2.392 220 V HA -0.280 3.836 4.120 -0.006 0.000 0.249 220 V C 2.625 178.655 176.094 -0.106 0.000 1.059 220 V CA 1.860 64.111 62.300 -0.081 0.000 1.051 220 V CB -0.705 31.056 31.823 -0.102 0.000 0.658 220 V HN 0.376 nan 8.190 nan 0.000 0.455 221 R N -0.287 120.206 120.500 -0.012 0.000 2.075 221 R HA -0.110 4.227 4.340 -0.006 0.000 0.232 221 R C 2.431 178.766 176.300 0.059 0.000 1.126 221 R CA 1.418 57.551 56.100 0.055 0.000 0.963 221 R CB -0.554 29.778 30.300 0.053 0.000 0.858 221 R HN 0.539 nan 8.270 nan 0.000 0.435 222 A N 0.700 123.548 122.820 0.047 0.000 1.933 222 A HA -0.206 4.111 4.320 -0.006 0.000 0.218 222 A C 1.915 179.547 177.584 0.081 0.000 1.175 222 A CA 1.168 53.238 52.037 0.053 0.000 0.628 222 A CB -0.614 18.415 19.000 0.049 0.000 0.814 222 A HN 0.412 nan 8.150 nan 0.000 0.444 223 F N 0.354 120.262 119.950 -0.070 0.000 2.186 223 F HA -0.148 4.376 4.527 -0.006 0.000 0.299 223 F C 2.058 177.853 175.800 -0.009 0.000 1.090 223 F CA 2.018 59.975 58.000 -0.072 0.000 1.307 223 F CB -0.485 38.429 39.000 -0.143 0.000 1.019 223 F HN 0.442 nan 8.300 nan 0.000 0.489 224 H N -1.911 117.115 119.070 -0.073 0.000 2.546 224 H HA -0.069 4.484 4.556 -0.006 0.000 0.277 224 H C 0.937 176.183 175.328 -0.138 0.000 1.004 224 H CA 0.785 56.735 56.048 -0.163 0.000 1.231 224 H CB 0.041 29.791 29.762 -0.021 0.000 1.382 224 H HN 0.243 nan 8.280 nan 0.000 0.580 225 D N -0.683 119.727 120.400 0.017 0.000 2.349 225 D HA 0.061 4.698 4.640 -0.006 0.000 0.214 225 D C 1.337 177.614 176.300 -0.038 0.000 1.063 225 D CA 0.555 54.551 54.000 -0.006 0.000 0.847 225 D CB 0.147 40.955 40.800 0.012 0.000 0.933 225 D HN 0.403 nan 8.370 nan 0.000 0.513 226 G N 0.201 108.950 108.800 -0.085 0.000 2.176 226 G HA2 -0.281 3.676 3.960 -0.006 0.000 0.252 226 G HA3 -0.281 3.676 3.960 -0.006 0.000 0.252 226 G C 1.090 175.979 174.900 -0.018 0.000 1.024 226 G CA 0.548 45.599 45.100 -0.081 0.000 0.755 226 G HN 0.300 nan 8.290 nan 0.000 0.507 227 V N -0.246 119.673 119.914 0.009 0.000 2.649 227 V HA 0.336 4.452 4.120 -0.006 0.000 0.248 227 V C 1.370 177.497 176.094 0.054 0.000 1.054 227 V CA 2.081 64.398 62.300 0.029 0.000 1.073 227 V CB -0.204 31.636 31.823 0.028 0.000 0.699 227 V HN 0.904 nan 8.190 nan 0.000 0.463 228 L N -0.901 120.379 121.223 0.095 0.000 2.424 228 L HA 0.763 5.100 4.340 -0.006 0.000 0.258 228 L C -1.127 175.889 176.870 0.243 0.000 0.995 228 L CA -1.062 53.859 54.840 0.135 0.000 0.821 228 L CB 2.121 44.248 42.059 0.114 0.000 1.383 228 L HN 0.195 nan 8.230 nan 0.000 0.410 229 D N -0.307 120.233 120.400 0.234 0.000 2.451 229 D HA 0.153 4.790 4.640 -0.006 0.000 0.259 229 D C 0.407 176.896 176.300 0.316 0.000 1.201 229 D CA -0.231 53.966 54.000 0.329 0.000 1.028 229 D CB 0.699 41.636 40.800 0.229 0.000 1.095 229 D HN 0.739 nan 8.370 nan 0.000 0.539 230 D N -1.828 118.749 120.400 0.294 0.000 2.144 230 D HA -0.217 4.419 4.640 -0.006 0.000 0.199 230 D C 1.536 177.824 176.300 -0.021 0.000 0.984 230 D CA 1.024 54.988 54.000 -0.060 0.000 0.834 230 D CB -0.334 40.462 40.800 -0.007 0.000 0.955 230 D HN 0.509 nan 8.370 nan 0.000 0.465 231 Y N 1.388 121.668 120.300 -0.032 0.000 2.163 231 Y HA -0.057 4.489 4.550 -0.006 0.000 0.288 231 Y C 2.015 177.909 175.900 -0.011 0.000 1.136 231 Y CA 1.727 59.797 58.100 -0.050 0.000 1.147 231 Y CB -0.226 38.219 38.460 -0.025 0.000 0.987 231 Y HN -0.020 nan 8.280 nan 0.000 0.509 232 E N 0.417 120.601 120.200 -0.027 0.000 2.118 232 E HA -0.239 4.108 4.350 -0.006 0.000 0.195 232 E C 2.276 178.833 176.600 -0.070 0.000 0.992 232 E CA 1.245 57.599 56.400 -0.078 0.000 0.804 232 E CB -0.326 29.408 29.700 0.057 0.000 0.741 232 E HN 0.543 nan 8.360 nan 0.000 0.458 233 L N 1.302 122.493 121.223 -0.053 0.000 1.955 233 L HA -0.256 4.081 4.340 -0.006 0.000 0.213 233 L C 2.803 179.651 176.870 -0.036 0.000 1.072 233 L CA 1.906 56.703 54.840 -0.070 0.000 0.755 233 L CB -0.219 41.709 42.059 -0.219 0.000 0.888 233 L HN 0.101 nan 8.230 nan 0.000 0.432 234 R N -1.525 118.941 120.500 -0.057 0.000 2.092 234 R HA -0.116 4.221 4.340 -0.006 0.000 0.231 234 R C 1.855 178.320 176.300 0.274 0.000 1.119 234 R CA 1.786 57.936 56.100 0.083 0.000 0.970 234 R CB -1.204 29.100 30.300 0.007 0.000 0.864 234 R HN 0.224 nan 8.270 nan 0.000 0.440 235 T N 1.791 116.396 114.554 0.084 0.000 2.746 235 T HA -0.098 4.249 4.350 -0.006 0.000 0.267 235 T C 1.693 176.517 174.700 0.206 0.000 1.039 235 T CA 1.306 63.532 62.100 0.211 0.000 1.142 235 T CB -0.197 68.553 68.868 -0.197 0.000 0.866 235 T HN 0.130 nan 8.240 nan 0.000 0.444 236 L N 1.322 122.599 121.223 0.090 0.000 2.056 236 L HA 0.004 4.340 4.340 -0.006 0.000 0.207 236 L C 2.433 179.385 176.870 0.137 0.000 1.078 236 L CA 1.444 56.336 54.840 0.087 0.000 0.749 236 L CB -0.730 41.354 42.059 0.041 0.000 0.901 236 L HN 0.069 nan 8.230 nan 0.000 0.433 237 V N 0.122 120.129 119.914 0.154 0.000 2.343 237 V HA -0.293 3.824 4.120 -0.006 0.000 0.247 237 V C 2.808 179.029 176.094 0.211 0.000 1.051 237 V CA 1.613 64.022 62.300 0.180 0.000 1.036 237 V CB -1.446 30.494 31.823 0.194 0.000 0.654 237 V HN 0.600 nan 8.190 nan 0.000 0.451 238 A N -0.195 122.768 122.820 0.239 0.000 1.908 238 A HA -0.237 4.079 4.320 -0.006 0.000 0.218 238 A C 2.404 180.125 177.584 0.228 0.000 1.181 238 A CA 2.581 54.717 52.037 0.165 0.000 0.627 238 A CB -0.994 18.065 19.000 0.099 0.000 0.818 238 A HN 0.513 nan 8.150 nan 0.000 0.445 239 T N -0.277 114.461 114.554 0.306 0.000 2.674 239 T HA -0.134 4.213 4.350 -0.006 0.000 0.265 239 T C 1.907 176.717 174.700 0.184 0.000 1.039 239 T CA 1.699 63.974 62.100 0.292 0.000 1.150 239 T CB -0.557 68.449 68.868 0.231 0.000 0.864 239 T HN 0.155 nan 8.240 nan 0.000 0.427 240 V N 1.682 121.679 119.914 0.139 0.000 2.287 240 V HA -0.138 3.978 4.120 -0.006 0.000 0.248 240 V C 2.427 178.599 176.094 0.131 0.000 1.053 240 V CA 1.470 63.826 62.300 0.092 0.000 1.027 240 V CB -0.779 31.116 31.823 0.121 0.000 0.646 240 V HN 0.309 nan 8.190 nan 0.000 0.447 241 L N 0.133 121.457 121.223 0.168 0.000 1.989 241 L HA -0.135 4.202 4.340 -0.006 0.000 0.211 241 L C 2.376 179.352 176.870 0.177 0.000 1.071 241 L CA 2.054 57.004 54.840 0.184 0.000 0.749 241 L CB -0.682 41.496 42.059 0.199 0.000 0.890 241 L HN 0.139 nan 8.230 nan 0.000 0.431 242 V N 0.143 120.145 119.914 0.146 0.000 2.343 242 V HA -0.250 3.866 4.120 -0.006 0.000 0.247 242 V C 2.784 178.987 176.094 0.181 0.000 1.051 242 V CA 1.610 64.001 62.300 0.152 0.000 1.036 242 V CB -1.428 30.453 31.823 0.097 0.000 0.654 242 V HN 0.617 nan 8.190 nan 0.000 0.451 243 A N 0.327 123.240 122.820 0.155 0.000 2.015 243 A HA -0.012 4.305 4.320 -0.006 0.000 0.219 243 A C 2.281 179.932 177.584 0.112 0.000 1.163 243 A CA 1.702 53.814 52.037 0.124 0.000 0.646 243 A CB -0.794 18.259 19.000 0.088 0.000 0.806 243 A HN 0.550 nan 8.150 nan 0.000 0.448 244 G N -2.614 106.266 108.800 0.133 0.000 2.603 244 G HA2 0.054 4.010 3.960 -0.006 0.000 0.214 244 G HA3 0.054 4.010 3.960 -0.006 0.000 0.214 244 G C 1.331 176.358 174.900 0.212 0.000 1.140 244 G CA 0.980 46.169 45.100 0.148 0.000 0.800 244 G HN 0.546 nan 8.290 nan 0.000 0.533 245 Y N 0.861 121.232 120.300 0.118 0.000 2.222 245 Y HA 0.221 4.768 4.550 -0.005 0.000 0.290 245 Y C 2.617 178.602 175.900 0.142 0.000 1.123 245 Y CA 1.458 59.633 58.100 0.126 0.000 1.120 245 Y CB 0.065 38.594 38.460 0.115 0.000 1.060 245 Y HN 0.192 nan 8.280 nan 0.000 0.508 246 E N -0.276 119.950 120.200 0.044 0.000 2.072 246 E HA -0.164 4.183 4.350 -0.006 0.000 0.191 246 E C 2.077 178.773 176.600 0.160 0.000 0.985 246 E CA 1.954 58.373 56.400 0.031 0.000 0.801 246 E CB -0.223 29.615 29.700 0.230 0.000 0.750 246 E HN 0.674 nan 8.360 nan 0.000 0.452 247 T N -0.589 114.039 114.554 0.124 0.000 2.674 247 T HA -0.157 4.190 4.350 -0.006 0.000 0.265 247 T C 2.149 176.920 174.700 0.118 0.000 1.039 247 T CA 1.837 64.010 62.100 0.122 0.000 1.150 247 T CB -0.835 68.093 68.868 0.099 0.000 0.864 247 T HN -0.015 nan 8.240 nan 0.000 0.427 248 T N 2.264 116.869 114.554 0.085 0.000 2.746 248 T HA -0.108 4.239 4.350 -0.006 0.000 0.267 248 T C 2.064 176.796 174.700 0.053 0.000 1.039 248 T CA 1.263 63.420 62.100 0.095 0.000 1.142 248 T CB -0.627 68.301 68.868 0.101 0.000 0.866 248 T HN 0.434 nan 8.240 nan 0.000 0.444 249 N N 1.239 119.878 118.700 -0.102 0.000 2.025 249 N HA -0.161 4.575 4.740 -0.006 0.000 0.194 249 N C 1.715 177.165 175.510 -0.099 0.000 1.044 249 N CA 1.867 54.795 53.050 -0.203 0.000 0.851 249 N CB -0.509 37.630 38.487 -0.581 0.000 1.036 249 N HN 0.543 nan 8.380 nan 0.000 0.422 250 H N -0.621 118.446 119.070 -0.004 0.000 2.423 250 H HA -0.009 4.544 4.556 -0.006 0.000 0.297 250 H C 1.919 177.302 175.328 0.092 0.000 1.075 250 H CA 1.460 57.531 56.048 0.038 0.000 1.342 250 H CB -0.018 29.757 29.762 0.022 0.000 1.395 250 H HN 0.282 nan 8.280 nan 0.000 0.530 251 Q N 0.694 120.619 119.800 0.209 0.000 2.119 251 Q HA -0.075 4.262 4.340 -0.006 0.000 0.201 251 Q C 2.023 178.163 176.000 0.234 0.000 0.972 251 Q CA 1.103 57.023 55.803 0.196 0.000 0.847 251 Q CB -0.249 28.588 28.738 0.166 0.000 0.903 251 Q HN 0.488 nan 8.270 nan 0.000 0.433 252 L N -0.584 120.795 121.223 0.259 0.000 2.046 252 L HA -0.145 4.192 4.340 -0.006 0.000 0.208 252 L C 2.300 179.404 176.870 0.389 0.000 1.077 252 L CA 1.145 56.206 54.840 0.368 0.000 0.747 252 L CB -0.613 41.716 42.059 0.450 0.000 0.896 252 L HN 0.280 nan 8.230 nan 0.000 0.432 253 A N -0.277 122.735 122.820 0.321 0.000 1.930 253 A HA -0.123 4.194 4.320 -0.006 0.000 0.217 253 A C 2.230 179.899 177.584 0.142 0.000 1.175 253 A CA 1.199 53.380 52.037 0.240 0.000 0.627 253 A CB -0.576 18.509 19.000 0.143 0.000 0.815 253 A HN 0.351 nan 8.150 nan 0.000 0.443 254 L N -0.813 120.521 121.223 0.186 0.000 2.093 254 L HA -0.163 4.174 4.340 -0.006 0.000 0.208 254 L C 3.076 180.092 176.870 0.243 0.000 1.085 254 L CA 0.878 55.855 54.840 0.228 0.000 0.755 254 L CB -0.470 41.730 42.059 0.236 0.000 0.904 254 L HN 0.434 nan 8.230 nan 0.000 0.435 255 A N -0.218 122.749 122.820 0.244 0.000 1.883 255 A HA -0.247 4.070 4.320 -0.006 0.000 0.217 255 A C 2.292 180.066 177.584 0.317 0.000 1.186 255 A CA 1.744 53.962 52.037 0.302 0.000 0.624 255 A CB -0.390 18.843 19.000 0.389 0.000 0.822 255 A HN 0.268 nan 8.150 nan 0.000 0.444 256 M N -2.019 117.669 119.600 0.147 0.000 2.117 256 M HA -0.097 4.380 4.480 -0.006 0.000 0.262 256 M C 2.159 178.423 176.300 -0.061 0.000 1.065 256 M CA 1.375 56.644 55.300 -0.053 0.000 1.114 256 M CB -1.549 30.704 32.600 -0.578 0.000 1.361 256 M HN 0.637 nan 8.290 nan 0.000 0.408 257 Y N 1.866 122.099 120.300 -0.112 0.000 2.181 257 Y HA -0.261 4.284 4.550 -0.007 0.000 0.288 257 Y C 1.910 177.735 175.900 -0.125 0.000 1.146 257 Y CA 1.879 59.926 58.100 -0.088 0.000 1.164 257 Y CB -0.275 38.205 38.460 0.032 0.000 0.982 257 Y HN 0.265 nan 8.280 nan 0.000 0.515 258 D N -0.264 120.061 120.400 -0.124 0.000 2.117 258 D HA -0.190 4.446 4.640 -0.006 0.000 0.197 258 D C 1.896 177.767 176.300 -0.716 0.000 0.987 258 D CA 1.628 55.292 54.000 -0.560 0.000 0.829 258 D CB -0.576 39.764 40.800 -0.767 0.000 0.961 258 D HN 0.386 nan 8.370 nan 0.000 0.460 259 F N 0.893 120.729 119.950 -0.190 0.000 2.456 259 F HA 0.158 4.682 4.527 -0.005 0.000 0.298 259 F C 2.348 178.016 175.800 -0.221 0.000 1.104 259 F CA 0.274 58.247 58.000 -0.044 0.000 1.435 259 F CB -0.476 38.715 39.000 0.318 0.000 1.078 259 F HN -0.103 nan 8.300 nan 0.000 0.546 260 A N -0.441 122.244 122.820 -0.225 0.000 1.969 260 A HA -0.134 4.182 4.320 -0.006 0.000 0.218 260 A C 2.122 179.465 177.584 -0.403 0.000 1.169 260 A CA 1.124 52.952 52.037 -0.349 0.000 0.635 260 A CB -0.359 18.404 19.000 -0.395 0.000 0.810 260 A HN 0.241 nan 8.150 nan 0.000 0.445 261 Q N -0.529 118.927 119.800 -0.574 0.000 2.311 261 Q HA -0.029 4.307 4.340 -0.006 0.000 0.203 261 Q C -0.285 175.166 176.000 -0.916 0.000 0.954 261 Q CA 0.916 56.258 55.803 -0.769 0.000 0.885 261 Q CB -0.103 28.055 28.738 -0.966 0.000 0.963 261 Q HN 0.927 nan 8.270 nan 0.000 0.471 262 H N -0.387 118.551 119.070 -0.220 0.000 2.439 262 H HA 0.154 4.706 4.556 -0.006 0.000 0.228 262 H C -1.792 173.600 175.328 0.107 0.000 1.423 262 H CA -1.341 54.666 56.048 -0.067 0.000 1.386 262 H CB 0.891 30.610 29.762 -0.071 0.000 1.641 262 H HN -0.006 nan 8.280 nan 0.000 0.508 263 P HA -0.159 nan 4.420 nan 0.000 0.223 263 P C 1.052 178.483 177.300 0.218 0.000 1.151 263 P CA 1.026 64.211 63.100 0.141 0.000 0.787 263 P CB 0.544 32.235 31.700 -0.014 0.000 0.788 264 D N 0.625 121.134 120.400 0.182 0.000 2.178 264 D HA -0.212 4.424 4.640 -0.006 0.000 0.201 264 D C 1.673 178.093 176.300 0.200 0.000 0.980 264 D CA 1.193 55.288 54.000 0.159 0.000 0.842 264 D CB -0.795 40.072 40.800 0.111 0.000 0.948 264 D HN 0.270 nan 8.370 nan 0.000 0.472 265 Q N -0.995 118.984 119.800 0.297 0.000 2.245 265 Q HA -0.048 4.289 4.340 -0.006 0.000 0.201 265 Q C 2.029 178.218 176.000 0.315 0.000 0.955 265 Q CA 0.381 56.381 55.803 0.328 0.000 0.870 265 Q CB -0.158 28.860 28.738 0.466 0.000 0.945 265 Q HN 0.458 nan 8.270 nan 0.000 0.461 266 W N 1.191 122.574 121.300 0.137 0.000 2.358 266 W HA -0.177 4.480 4.660 -0.006 0.000 0.303 266 W C 1.449 177.920 176.519 -0.080 0.000 1.208 266 W CA 1.104 58.379 57.345 -0.118 0.000 1.274 266 W CB 0.053 29.473 29.460 -0.066 0.000 1.138 266 W HN 0.186 nan 8.180 nan 0.000 0.515 267 M N 0.896 120.634 119.600 0.231 0.000 2.296 267 M HA -0.142 4.335 4.480 -0.006 0.000 0.265 267 M C 1.744 178.051 176.300 0.013 0.000 1.064 267 M CA 1.352 56.721 55.300 0.116 0.000 1.109 267 M CB -1.243 31.434 32.600 0.129 0.000 1.396 267 M HN -0.001 nan 8.290 nan 0.000 0.430 268 K N 0.204 120.613 120.400 0.014 0.000 2.103 268 K HA -0.009 4.307 4.320 -0.006 0.000 0.204 268 K C 1.926 178.479 176.600 -0.078 0.000 1.052 268 K CA 0.996 57.273 56.287 -0.016 0.000 0.945 268 K CB -0.112 32.396 32.500 0.013 0.000 0.722 268 K HN 0.290 nan 8.250 nan 0.000 0.443 269 I N 1.177 121.652 120.570 -0.159 0.000 2.353 269 I HA -0.229 3.937 4.170 -0.006 0.000 0.248 269 I C 2.496 178.467 176.117 -0.243 0.000 1.119 269 I CA 1.004 62.160 61.300 -0.240 0.000 1.417 269 I CB -0.170 37.579 38.000 -0.418 0.000 1.078 269 I HN 0.100 nan 8.210 nan 0.000 0.421 270 K N 1.308 121.555 120.400 -0.255 0.000 2.057 270 K HA -0.258 4.059 4.320 -0.006 0.000 0.207 270 K C 2.133 178.671 176.600 -0.103 0.000 1.049 270 K CA 1.749 57.927 56.287 -0.181 0.000 0.931 270 K CB -0.063 32.366 32.500 -0.120 0.000 0.714 270 K HN 0.289 nan 8.250 nan 0.000 0.440 271 E N 0.183 120.339 120.200 -0.074 0.000 2.077 271 E HA -0.185 4.161 4.350 -0.006 0.000 0.193 271 E C -0.029 176.539 176.600 -0.053 0.000 0.989 271 E CA 0.928 57.299 56.400 -0.047 0.000 0.800 271 E CB 0.146 29.828 29.700 -0.029 0.000 0.746 271 E HN 0.108 nan 8.360 nan 0.000 0.452 272 N N -0.423 118.236 118.700 -0.067 0.000 2.716 272 N HA 0.177 4.913 4.740 -0.006 0.000 0.253 272 N C -2.439 173.022 175.510 -0.082 0.000 1.170 272 N CA -2.005 51.008 53.050 -0.062 0.000 0.807 272 N CB 1.498 39.957 38.487 -0.047 0.000 1.183 272 N HN -0.156 nan 8.380 nan 0.000 0.524 273 P HA -0.091 nan 4.420 nan 0.000 0.221 273 P C 0.763 178.017 177.300 -0.078 0.000 1.145 273 P CA 0.893 63.932 63.100 -0.102 0.000 0.795 273 P CB 0.482 32.130 31.700 -0.088 0.000 0.775 274 E N -0.677 119.489 120.200 -0.057 0.000 2.333 274 E HA -0.097 4.250 4.350 -0.006 0.000 0.198 274 E C 1.611 178.188 176.600 -0.037 0.000 1.007 274 E CA 0.566 56.942 56.400 -0.040 0.000 0.845 274 E CB -0.877 28.805 29.700 -0.031 0.000 0.766 274 E HN 0.205 nan 8.360 nan 0.000 0.507 275 L N -0.619 120.574 121.223 -0.050 0.000 2.465 275 L HA -0.037 4.300 4.340 -0.006 0.000 0.224 275 L C 2.199 179.046 176.870 -0.037 0.000 1.145 275 L CA 0.447 55.261 54.840 -0.044 0.000 0.834 275 L CB -0.328 41.699 42.059 -0.053 0.000 0.944 275 L HN 0.210 nan 8.230 nan 0.000 0.451 276 A N 1.285 124.072 122.820 -0.054 0.000 1.884 276 A HA -0.185 4.132 4.320 -0.006 0.000 0.219 276 A C -0.110 177.482 177.584 0.013 0.000 1.197 276 A CA 1.944 53.955 52.037 -0.044 0.000 0.637 276 A CB -1.812 17.150 19.000 -0.063 0.000 0.827 276 A HN 0.280 nan 8.150 nan 0.000 0.450 277 P HA -0.158 nan 4.420 nan 0.000 0.216 277 P C 1.695 179.024 177.300 0.049 0.000 1.153 277 P CA 1.572 64.698 63.100 0.043 0.000 0.848 277 P CB -0.089 31.631 31.700 0.034 0.000 0.787 278 Q N -0.565 119.251 119.800 0.026 0.000 2.119 278 Q HA -0.133 4.204 4.340 -0.006 0.000 0.201 278 Q C 2.033 178.039 176.000 0.011 0.000 0.972 278 Q CA 1.571 57.381 55.803 0.013 0.000 0.847 278 Q CB -0.579 28.154 28.738 -0.009 0.000 0.903 278 Q HN 0.086 nan 8.270 nan 0.000 0.433 279 A N -0.276 122.569 122.820 0.042 0.000 1.902 279 A HA -0.137 4.179 4.320 -0.006 0.000 0.217 279 A C 2.178 179.871 177.584 0.183 0.000 1.181 279 A CA 1.465 53.576 52.037 0.123 0.000 0.623 279 A CB -0.711 18.404 19.000 0.193 0.000 0.818 279 A HN 0.296 nan 8.150 nan 0.000 0.443 280 V N -0.132 119.881 119.914 0.165 0.000 2.343 280 V HA -0.224 3.892 4.120 -0.006 0.000 0.247 280 V C 2.568 178.747 176.094 0.141 0.000 1.051 280 V CA 2.386 64.798 62.300 0.186 0.000 1.036 280 V CB -0.651 31.274 31.823 0.169 0.000 0.654 280 V HN 0.657 nan 8.190 nan 0.000 0.451 281 E N 0.155 120.411 120.200 0.094 0.000 2.150 281 E HA -0.225 4.121 4.350 -0.006 0.000 0.193 281 E C 2.063 178.645 176.600 -0.029 0.000 0.985 281 E CA 1.237 57.670 56.400 0.055 0.000 0.814 281 E CB -0.146 29.588 29.700 0.056 0.000 0.752 281 E HN 0.623 nan 8.360 nan 0.000 0.466 282 E N -0.699 119.467 120.200 -0.057 0.000 2.107 282 E HA -0.088 4.258 4.350 -0.006 0.000 0.191 282 E C 1.878 178.484 176.600 0.009 0.000 0.982 282 E CA 1.019 57.322 56.400 -0.161 0.000 0.809 282 E CB -0.166 29.301 29.700 -0.388 0.000 0.756 282 E HN 0.142 nan 8.360 nan 0.000 0.459 283 V N 0.684 120.686 119.914 0.147 0.000 2.343 283 V HA -0.250 3.866 4.120 -0.006 0.000 0.247 283 V C 2.381 178.581 176.094 0.177 0.000 1.051 283 V CA 1.703 64.170 62.300 0.278 0.000 1.036 283 V CB -0.465 31.525 31.823 0.278 0.000 0.654 283 V HN 0.305 nan 8.190 nan 0.000 0.451 284 L N -0.597 120.669 121.223 0.071 0.000 2.093 284 L HA -0.133 4.203 4.340 -0.006 0.000 0.208 284 L C 2.695 179.451 176.870 -0.191 0.000 1.085 284 L CA 1.588 56.409 54.840 -0.031 0.000 0.755 284 L CB -0.564 41.471 42.059 -0.040 0.000 0.904 284 L HN 0.241 nan 8.230 nan 0.000 0.435 285 R N -0.283 120.030 120.500 -0.311 0.000 2.062 285 R HA -0.215 4.121 4.340 -0.006 0.000 0.231 285 R C 2.346 178.504 176.300 -0.236 0.000 1.136 285 R CA 1.733 57.444 56.100 -0.649 0.000 0.948 285 R CB -0.432 29.493 30.300 -0.625 0.000 0.845 285 R HN 0.509 nan 8.270 nan 0.000 0.430 286 W N 1.292 122.474 121.300 -0.196 0.000 2.418 286 W HA -0.042 4.614 4.660 -0.007 0.000 0.292 286 W C -0.058 176.428 176.519 -0.054 0.000 1.213 286 W CA 1.627 58.928 57.345 -0.073 0.000 1.283 286 W CB 0.104 29.673 29.460 0.182 0.000 1.119 286 W HN 0.148 nan 8.180 nan 0.000 0.542 287 S N 0.687 116.455 115.700 0.115 0.000 2.359 287 S HA 0.286 4.753 4.470 -0.006 0.000 0.148 287 S C -2.714 171.952 174.600 0.110 0.000 1.610 287 S CA -1.237 57.020 58.200 0.095 0.000 1.274 287 S CB 0.936 64.285 63.200 0.249 0.000 1.380 287 S HN -0.141 nan 8.310 nan 0.000 0.380 288 P HA 0.135 nan 4.420 nan 0.000 0.271 288 P C 0.909 178.222 177.300 0.022 0.000 1.216 288 P CA 0.084 63.201 63.100 0.028 0.000 0.771 288 P CB 1.199 32.918 31.700 0.032 0.000 0.864 289 T N 2.328 116.889 114.554 0.012 0.000 2.915 289 T HA -0.009 4.337 4.350 -0.006 0.000 0.269 289 T C 0.780 175.462 174.700 -0.030 0.000 1.071 289 T CA 0.957 63.073 62.100 0.027 0.000 1.132 289 T CB -0.501 68.406 68.868 0.065 0.000 0.878 289 T HN 0.281 nan 8.240 nan 0.000 0.479 290 L N 2.783 123.961 121.223 -0.075 0.000 2.335 290 L HA 0.339 4.676 4.340 -0.006 0.000 0.268 290 L C -1.517 175.235 176.870 -0.196 0.000 1.037 290 L CA -1.855 52.916 54.840 -0.116 0.000 0.895 290 L CB 1.768 43.764 42.059 -0.104 0.000 1.266 290 L HN -0.007 nan 8.230 nan 0.000 0.439 291 P HA -0.126 nan 4.420 nan 0.000 0.216 291 P C 0.504 177.436 177.300 -0.613 0.000 1.150 291 P CA 1.029 63.820 63.100 -0.516 0.000 0.837 291 P CB 0.350 31.523 31.700 -0.878 0.000 0.786 292 V N 1.005 120.628 119.914 -0.486 0.000 2.370 292 V HA 0.150 4.266 4.120 -0.006 0.000 0.283 292 V C 1.594 177.507 176.094 -0.301 0.000 1.023 292 V CA 0.171 62.217 62.300 -0.423 0.000 0.857 292 V CB 1.069 32.620 31.823 -0.453 0.000 0.985 292 V HN 0.161 nan 8.190 nan 0.000 0.443 293 T N 1.734 116.140 114.554 -0.247 0.000 3.044 293 T HA 0.349 4.696 4.350 -0.006 0.000 0.237 293 T C 0.742 175.367 174.700 -0.124 0.000 1.001 293 T CA 0.579 62.584 62.100 -0.159 0.000 1.160 293 T CB 0.322 69.118 68.868 -0.121 0.000 0.889 293 T HN 0.756 nan 8.240 nan 0.000 0.442 294 A N 2.776 125.520 122.820 -0.127 0.000 2.273 294 A HA 0.626 4.943 4.320 -0.006 0.000 0.315 294 A C 0.181 177.665 177.584 -0.166 0.000 1.256 294 A CA -0.731 51.251 52.037 -0.091 0.000 0.851 294 A CB 0.570 19.562 19.000 -0.013 0.000 1.172 294 A HN 0.476 nan 8.150 nan 0.000 0.508 295 T N 1.425 115.832 114.554 -0.245 0.000 2.853 295 T HA 0.604 4.951 4.350 -0.006 0.000 0.317 295 T C -0.052 174.583 174.700 -0.107 0.000 1.059 295 T CA -0.824 61.070 62.100 -0.344 0.000 0.954 295 T CB 0.424 68.828 68.868 -0.774 0.000 0.994 295 T HN 0.563 nan 8.240 nan 0.000 0.479 296 R N 1.763 122.299 120.500 0.060 0.000 2.782 296 R HA 0.832 5.168 4.340 -0.006 0.000 0.258 296 R C -0.950 175.425 176.300 0.126 0.000 1.055 296 R CA -1.035 55.111 56.100 0.077 0.000 1.065 296 R CB 1.928 32.287 30.300 0.098 0.000 1.172 296 R HN 0.523 nan 8.270 nan 0.000 0.510 297 V N 0.156 120.138 119.914 0.113 0.000 2.841 297 V HA 0.577 4.694 4.120 -0.006 0.000 0.310 297 V C -0.825 175.362 176.094 0.155 0.000 1.090 297 V CA -0.822 61.553 62.300 0.126 0.000 0.930 297 V CB 2.003 33.888 31.823 0.103 0.000 1.014 297 V HN 0.922 nan 8.190 nan 0.000 0.425 298 A N 4.559 127.493 122.820 0.190 0.000 2.524 298 A HA 0.592 4.909 4.320 -0.006 0.000 0.250 298 A C 1.156 178.855 177.584 0.192 0.000 1.078 298 A CA 0.560 52.758 52.037 0.269 0.000 0.761 298 A CB 0.721 19.880 19.000 0.265 0.000 1.012 298 A HN 1.842 nan 8.150 nan 0.000 0.500 299 A N 2.300 125.228 122.820 0.180 0.000 2.147 299 A HA 0.348 4.665 4.320 -0.006 0.000 0.211 299 A C 0.708 178.368 177.584 0.126 0.000 1.160 299 A CA 1.004 53.113 52.037 0.120 0.000 0.781 299 A CB -0.119 18.929 19.000 0.080 0.000 0.842 299 A HN 0.962 nan 8.150 nan 0.000 0.475 300 E N -0.678 119.636 120.200 0.190 0.000 2.430 300 E HA 0.304 4.650 4.350 -0.006 0.000 0.279 300 E C -1.998 174.770 176.600 0.280 0.000 1.003 300 E CA -1.042 55.470 56.400 0.187 0.000 0.801 300 E CB 0.541 30.326 29.700 0.143 0.000 1.313 300 E HN 0.010 nan 8.360 nan 0.000 0.459 301 D N 1.799 122.313 120.400 0.190 0.000 2.371 301 D HA 0.272 4.908 4.640 -0.006 0.000 0.256 301 D C -0.437 176.021 176.300 0.264 0.000 1.193 301 D CA 0.603 54.695 54.000 0.153 0.000 0.881 301 D CB 0.126 40.972 40.800 0.076 0.000 1.143 301 D HN 0.355 nan 8.370 nan 0.000 0.473 302 F N -0.764 119.231 119.950 0.074 0.000 2.715 302 F HA 0.618 5.142 4.527 -0.005 0.000 0.318 302 F C -0.844 175.016 175.800 0.100 0.000 1.141 302 F CA -1.339 56.705 58.000 0.073 0.000 0.950 302 F CB 1.562 40.601 39.000 0.065 0.000 1.374 302 F HN 0.070 nan 8.300 nan 0.000 0.477 303 E N 0.738 121.062 120.200 0.207 0.000 2.266 303 E HA 0.665 5.011 4.350 -0.006 0.000 0.268 303 E C -2.066 174.657 176.600 0.204 0.000 0.879 303 E CA -1.165 55.300 56.400 0.108 0.000 0.762 303 E CB 2.767 32.530 29.700 0.104 0.000 1.199 303 E HN 0.814 nan 8.360 nan 0.000 0.422 304 V N 4.772 124.779 119.914 0.155 0.000 2.711 304 V HA 0.320 4.436 4.120 -0.006 0.000 0.304 304 V C -1.184 174.912 176.094 0.004 0.000 1.097 304 V CA -0.472 61.873 62.300 0.074 0.000 0.906 304 V CB 1.599 33.467 31.823 0.075 0.000 1.015 304 V HN 0.938 nan 8.190 nan 0.000 0.427 305 N N 4.511 123.139 118.700 -0.120 0.000 2.714 305 N HA -0.194 4.543 4.740 -0.006 0.000 0.250 305 N C 1.117 176.689 175.510 0.104 0.000 1.117 305 N CA 2.126 55.117 53.050 -0.100 0.000 0.719 305 N CB -1.400 36.845 38.487 -0.403 0.000 1.081 305 N HN 2.105 nan 8.380 nan 0.000 0.557 306 G N -2.723 106.143 108.800 0.110 0.000 2.179 306 G HA2 -0.317 3.640 3.960 -0.006 0.000 0.260 306 G HA3 -0.317 3.640 3.960 -0.006 0.000 0.260 306 G C -0.044 174.969 174.900 0.187 0.000 0.977 306 G CA 0.330 45.509 45.100 0.132 0.000 0.641 306 G HN 0.521 nan 8.290 nan 0.000 0.533 307 V N 1.761 121.835 119.914 0.267 0.000 2.350 307 V HA 0.455 4.572 4.120 -0.006 0.000 0.276 307 V C 0.980 177.221 176.094 0.244 0.000 1.028 307 V CA -0.740 61.743 62.300 0.305 0.000 0.860 307 V CB 1.407 33.452 31.823 0.371 0.000 0.990 307 V HN 0.414 nan 8.190 nan 0.000 0.453 308 R N 5.002 125.642 120.500 0.233 0.000 2.340 308 R HA 0.489 4.826 4.340 -0.006 0.000 0.300 308 R C -0.826 175.579 176.300 0.175 0.000 1.069 308 R CA -0.325 55.843 56.100 0.113 0.000 0.984 308 R CB 0.582 30.906 30.300 0.040 0.000 1.003 308 R HN 0.668 nan 8.270 nan 0.000 0.459 309 I N 7.846 128.350 120.570 -0.111 0.000 2.428 309 I HA 0.279 4.446 4.170 -0.006 0.000 0.279 309 I C -2.017 174.014 176.117 -0.143 0.000 1.040 309 I CA -2.317 58.907 61.300 -0.126 0.000 1.171 309 I CB 1.630 39.359 38.000 -0.451 0.000 1.312 309 I HN 0.405 nan 8.210 nan 0.000 0.470 310 P HA 0.091 nan 4.420 nan 0.000 0.274 310 P C -0.128 177.199 177.300 0.044 0.000 1.237 310 P CA -0.178 62.916 63.100 -0.011 0.000 0.793 310 P CB 0.391 32.055 31.700 -0.060 0.000 0.977 311 T N 1.077 115.668 114.554 0.062 0.000 2.891 311 T HA 0.248 4.594 4.350 -0.006 0.000 0.296 311 T C 1.433 176.177 174.700 0.075 0.000 1.025 311 T CA 1.675 63.828 62.100 0.088 0.000 1.149 311 T CB -0.717 68.195 68.868 0.074 0.000 1.007 311 T HN 0.855 nan 8.240 nan 0.000 0.528 312 G N 2.868 111.722 108.800 0.091 0.000 2.176 312 G HA2 -0.268 3.689 3.960 -0.006 0.000 0.253 312 G HA3 -0.268 3.689 3.960 -0.006 0.000 0.253 312 G C 0.273 175.223 174.900 0.085 0.000 0.979 312 G CA 0.032 45.180 45.100 0.080 0.000 0.641 312 G HN 0.871 nan 8.290 nan 0.000 0.530 313 T N 3.304 117.919 114.554 0.103 0.000 2.779 313 T HA 0.475 4.822 4.350 -0.006 0.000 0.296 313 T C -2.226 172.520 174.700 0.078 0.000 0.938 313 T CA -0.503 61.664 62.100 0.111 0.000 1.119 313 T CB 1.651 70.618 68.868 0.166 0.000 0.891 313 T HN 0.129 nan 8.240 nan 0.000 0.526 314 P HA 0.301 nan 4.420 nan 0.000 0.276 314 P C -1.001 176.264 177.300 -0.058 0.000 1.235 314 P CA -0.361 62.745 63.100 0.010 0.000 0.772 314 P CB 0.590 32.249 31.700 -0.068 0.000 0.871 315 V N 5.329 125.294 119.914 0.085 0.000 2.443 315 V HA 0.356 4.472 4.120 -0.006 0.000 0.293 315 V C -0.558 175.726 176.094 0.316 0.000 1.021 315 V CA -0.442 61.911 62.300 0.089 0.000 0.848 315 V CB 0.800 32.692 31.823 0.115 0.000 0.998 315 V HN 0.324 nan 8.190 nan 0.000 0.424 316 F N 4.875 124.780 119.950 -0.076 0.000 2.420 316 F HA 0.617 5.140 4.527 -0.006 0.000 0.342 316 F C 0.298 176.030 175.800 -0.114 0.000 1.113 316 F CA -1.915 56.016 58.000 -0.116 0.000 1.059 316 F CB 1.796 40.695 39.000 -0.167 0.000 1.128 316 F HN 0.262 nan 8.300 nan 0.000 0.475 317 M N 3.553 123.174 119.600 0.035 0.000 2.077 317 M HA 0.122 4.599 4.480 -0.006 0.000 0.348 317 M C -0.223 175.998 176.300 -0.132 0.000 1.252 317 M CA -0.336 54.946 55.300 -0.030 0.000 1.096 317 M CB 0.437 33.018 32.600 -0.033 0.000 1.568 317 M HN 0.558 nan 8.290 nan 0.000 0.456 318 C N 4.347 123.563 119.300 -0.139 0.000 2.145 318 C HA 0.538 4.995 4.460 -0.006 0.000 0.374 318 C C 1.748 176.555 174.990 -0.304 0.000 1.035 318 C CA -0.158 58.696 59.018 -0.274 0.000 1.431 318 C CB -1.481 26.134 27.740 -0.208 0.000 1.789 318 C HN 0.998 nan 8.230 nan 0.000 0.483 319 A N 2.775 125.363 122.820 -0.386 0.000 1.883 319 A HA -0.227 4.089 4.320 -0.006 0.000 0.217 319 A C 1.977 179.103 177.584 -0.763 0.000 1.186 319 A CA 2.273 53.977 52.037 -0.555 0.000 0.624 319 A CB -1.045 17.667 19.000 -0.480 0.000 0.822 319 A HN 1.002 nan 8.150 nan 0.000 0.444 320 H N -0.689 117.997 119.070 -0.640 0.000 2.319 320 H HA -0.113 4.440 4.556 -0.006 0.000 0.299 320 H C 1.881 177.044 175.328 -0.276 0.000 1.092 320 H CA 2.212 57.980 56.048 -0.466 0.000 1.302 320 H CB -0.032 29.372 29.762 -0.597 0.000 1.373 320 H HN 0.165 nan 8.280 nan 0.000 0.497 321 V N 0.586 120.476 119.914 -0.040 0.000 2.358 321 V HA -0.220 3.897 4.120 -0.006 0.000 0.246 321 V C 2.703 178.833 176.094 0.061 0.000 1.047 321 V CA 1.477 63.824 62.300 0.078 0.000 1.035 321 V CB -1.080 30.820 31.823 0.129 0.000 0.658 321 V HN 0.687 nan 8.190 nan 0.000 0.452 322 A N -0.795 122.028 122.820 0.005 0.000 1.972 322 A HA -0.266 4.050 4.320 -0.006 0.000 0.219 322 A C 1.959 179.752 177.584 0.349 0.000 1.169 322 A CA 1.949 54.077 52.037 0.152 0.000 0.635 322 A CB -0.906 18.144 19.000 0.083 0.000 0.810 322 A HN 0.748 nan 8.150 nan 0.000 0.446 323 H N -1.301 117.857 119.070 0.146 0.000 2.521 323 H HA 0.037 4.589 4.556 -0.006 0.000 0.286 323 H C 1.121 176.410 175.328 -0.064 0.000 1.034 323 H CA 0.456 56.498 56.048 -0.011 0.000 1.278 323 H CB 0.258 29.877 29.762 -0.238 0.000 1.386 323 H HN 0.225 nan 8.280 nan 0.000 0.567 324 R N 1.039 121.623 120.500 0.139 0.000 2.466 324 R HA 0.050 4.387 4.340 -0.006 0.000 0.279 324 R C -0.383 176.031 176.300 0.191 0.000 0.976 324 R CA -0.069 56.102 56.100 0.119 0.000 1.081 324 R CB -0.101 30.228 30.300 0.049 0.000 1.215 324 R HN 0.226 nan 8.270 nan 0.000 0.546 325 D N 2.656 123.223 120.400 0.278 0.000 2.338 325 D HA 0.062 4.698 4.640 -0.006 0.000 0.255 325 D C -1.365 175.050 176.300 0.191 0.000 1.237 325 D CA -2.088 52.048 54.000 0.227 0.000 0.883 325 D CB 1.528 42.479 40.800 0.253 0.000 1.087 325 D HN -0.010 nan 8.370 nan 0.000 0.485 326 P HA -0.018 nan 4.420 nan 0.000 0.233 326 P C 0.991 178.315 177.300 0.040 0.000 1.167 326 P CA 0.348 63.505 63.100 0.094 0.000 0.770 326 P CB 0.402 32.152 31.700 0.082 0.000 0.837 327 R N -0.446 120.074 120.500 0.033 0.000 2.152 327 R HA -0.013 4.323 4.340 -0.006 0.000 0.232 327 R C 1.807 178.053 176.300 -0.091 0.000 1.117 327 R CA 0.979 57.075 56.100 -0.006 0.000 0.981 327 R CB -0.339 29.977 30.300 0.025 0.000 0.870 327 R HN 0.159 nan 8.270 nan 0.000 0.451 328 V N -1.136 118.669 119.914 -0.182 0.000 2.996 328 V HA 0.143 4.259 4.120 -0.006 0.000 0.235 328 V C -0.042 175.685 176.094 -0.612 0.000 1.205 328 V CA 0.473 62.469 62.300 -0.507 0.000 1.225 328 V CB 0.236 31.522 31.823 -0.894 0.000 0.995 328 V HN -0.045 nan 8.190 nan 0.000 0.484 329 F N 0.978 120.866 119.950 -0.105 0.000 2.436 329 F HA 0.753 5.277 4.527 -0.006 0.000 0.340 329 F C 0.536 176.313 175.800 -0.038 0.000 1.113 329 F CA -1.063 56.888 58.000 -0.083 0.000 1.022 329 F CB 0.964 39.920 39.000 -0.073 0.000 1.128 329 F HN 0.011 nan 8.300 nan 0.000 0.466 330 A N 2.141 125.041 122.820 0.134 0.000 2.450 330 A HA 0.313 4.629 4.320 -0.006 0.000 0.255 330 A C 0.455 178.086 177.584 0.078 0.000 1.096 330 A CA -0.273 51.808 52.037 0.073 0.000 0.778 330 A CB -0.201 18.819 19.000 0.034 0.000 1.031 330 A HN 0.879 nan 8.150 nan 0.000 0.494 331 D N 1.154 121.593 120.400 0.065 0.000 2.697 331 D HA -0.213 4.423 4.640 -0.006 0.000 0.235 331 D C 1.199 177.555 176.300 0.093 0.000 1.167 331 D CA 1.130 55.168 54.000 0.062 0.000 0.656 331 D CB -1.005 39.812 40.800 0.027 0.000 1.025 331 D HN 0.850 nan 8.370 nan 0.000 0.419 332 A N 0.742 123.641 122.820 0.131 0.000 1.978 332 A HA -0.201 4.116 4.320 -0.006 0.000 0.220 332 A C 1.682 179.393 177.584 0.213 0.000 1.170 332 A CA 1.591 53.724 52.037 0.161 0.000 0.636 332 A CB 0.056 19.168 19.000 0.187 0.000 0.810 332 A HN 0.386 nan 8.150 nan 0.000 0.448 333 D N -0.638 119.897 120.400 0.225 0.000 2.336 333 D HA 0.261 4.897 4.640 -0.006 0.000 0.228 333 D C 0.675 177.264 176.300 0.482 0.000 1.120 333 D CA 0.548 54.760 54.000 0.354 0.000 0.839 333 D CB -0.138 40.790 40.800 0.213 0.000 0.932 333 D HN 0.489 nan 8.370 nan 0.000 0.509 334 R N 0.689 121.347 120.500 0.263 0.000 2.494 334 R HA 0.385 4.721 4.340 -0.006 0.000 0.305 334 R C -0.878 175.206 176.300 -0.361 0.000 0.959 334 R CA -0.802 55.273 56.100 -0.043 0.000 0.864 334 R CB 0.145 30.411 30.300 -0.056 0.000 1.159 334 R HN 0.076 nan 8.270 nan 0.000 0.446 335 F N 3.055 122.314 119.950 -1.152 0.000 2.502 335 F HA 0.420 4.944 4.527 -0.006 0.000 0.371 335 F C -0.339 175.027 175.800 -0.724 0.000 1.083 335 F CA 0.199 57.444 58.000 -1.258 0.000 1.174 335 F CB 0.989 38.822 39.000 -1.945 0.000 1.096 335 F HN 0.606 nan 8.300 nan 0.000 0.545 336 D N 6.632 126.487 120.400 -0.908 0.000 2.470 336 D HA 0.114 4.751 4.640 -0.006 0.000 0.233 336 D C 0.529 176.498 176.300 -0.553 0.000 1.372 336 D CA -0.353 53.299 54.000 -0.579 0.000 0.994 336 D CB 0.738 41.351 40.800 -0.310 0.000 1.377 336 D HN 0.573 nan 8.370 nan 0.000 0.586 337 I N 0.907 121.174 120.570 -0.504 0.000 2.928 337 I HA 0.030 4.197 4.170 -0.006 0.000 0.266 337 I C 1.601 177.624 176.117 -0.157 0.000 1.234 337 I CA 0.966 62.083 61.300 -0.305 0.000 1.483 337 I CB -0.180 37.744 38.000 -0.126 0.000 1.097 337 I HN 0.286 nan 8.210 nan 0.000 0.455 338 T N -0.760 113.713 114.554 -0.136 0.000 3.067 338 T HA 0.176 4.523 4.350 -0.006 0.000 0.261 338 T C 0.814 175.471 174.700 -0.071 0.000 1.110 338 T CA 0.028 62.079 62.100 -0.081 0.000 1.113 338 T CB -0.779 68.052 68.868 -0.061 0.000 0.917 338 T HN 0.141 nan 8.240 nan 0.000 0.499 339 V N 2.478 122.338 119.914 -0.090 0.000 2.470 339 V HA 0.233 4.350 4.120 -0.006 0.000 0.276 339 V C 0.500 176.570 176.094 -0.040 0.000 1.040 339 V CA -0.818 61.447 62.300 -0.059 0.000 1.008 339 V CB 0.445 32.233 31.823 -0.059 0.000 0.990 339 V HN 0.391 nan 8.190 nan 0.000 0.477 340 K N 6.122 126.508 120.400 -0.023 0.000 2.349 340 K HA 0.295 4.611 4.320 -0.006 0.000 0.289 340 K C -0.048 176.555 176.600 0.005 0.000 1.064 340 K CA -0.300 55.982 56.287 -0.009 0.000 0.947 340 K CB 0.342 32.837 32.500 -0.009 0.000 1.007 340 K HN 0.644 nan 8.250 nan 0.000 0.478 341 R N 3.164 123.678 120.500 0.024 0.000 2.532 341 R HA 0.134 4.470 4.340 -0.006 0.000 0.295 341 R C 0.629 176.946 176.300 0.029 0.000 0.968 341 R CA -0.849 55.280 56.100 0.049 0.000 0.916 341 R CB 1.405 31.790 30.300 0.140 0.000 1.124 341 R HN 0.634 nan 8.270 nan 0.000 0.463 342 E N 1.195 121.385 120.200 -0.017 0.000 2.107 342 E HA -0.026 4.321 4.350 -0.006 0.000 0.191 342 E C 0.211 176.799 176.600 -0.021 0.000 0.982 342 E CA 0.775 57.157 56.400 -0.030 0.000 0.809 342 E CB 0.291 29.953 29.700 -0.064 0.000 0.756 342 E HN 0.585 nan 8.360 nan 0.000 0.459 343 A N 2.889 125.662 122.820 -0.078 0.000 2.305 343 A HA 0.446 4.762 4.320 -0.006 0.000 0.322 343 A C -2.253 175.449 177.584 0.196 0.000 1.187 343 A CA -1.385 50.626 52.037 -0.044 0.000 0.825 343 A CB 0.613 19.321 19.000 -0.487 0.000 1.164 343 A HN -0.097 nan 8.150 nan 0.000 0.498 344 P HA 0.254 nan 4.420 nan 0.000 0.277 344 P C 0.184 177.741 177.300 0.427 0.000 1.271 344 P CA -0.261 63.022 63.100 0.305 0.000 0.795 344 P CB 0.770 32.634 31.700 0.274 0.000 1.101 345 S N -0.182 115.660 115.700 0.237 0.000 2.584 345 S HA 0.164 4.631 4.470 -0.006 0.000 0.270 345 S C 0.909 175.757 174.600 0.414 0.000 1.346 345 S CA -0.512 57.764 58.200 0.128 0.000 1.018 345 S CB -0.551 62.534 63.200 -0.191 0.000 0.899 345 S HN 0.439 nan 8.310 nan 0.000 0.542 346 I N -1.021 119.919 120.570 0.616 0.000 3.517 346 I HA 0.536 4.702 4.170 -0.006 0.000 0.346 346 I C 1.126 177.383 176.117 0.234 0.000 1.510 346 I CA -0.814 60.716 61.300 0.382 0.000 1.090 346 I CB -0.169 37.930 38.000 0.166 0.000 1.506 346 I HN 0.646 nan 8.210 nan 0.000 0.477 347 A N 0.718 123.597 122.820 0.099 0.000 2.209 347 A HA 0.176 4.493 4.320 -0.006 0.000 0.212 347 A C 1.253 178.544 177.584 -0.487 0.000 1.158 347 A CA 0.976 52.863 52.037 -0.249 0.000 0.742 347 A CB -0.594 18.114 19.000 -0.486 0.000 0.790 347 A HN 0.606 nan 8.150 nan 0.000 0.472 348 F N -1.117 118.851 119.950 0.029 0.000 2.661 348 F HA 0.431 4.955 4.527 -0.005 0.000 0.306 348 F C 1.609 177.318 175.800 -0.152 0.000 1.094 348 F CA 0.132 58.039 58.000 -0.155 0.000 1.254 348 F CB -0.029 38.755 39.000 -0.360 0.000 1.040 348 F HN 0.378 nan 8.300 nan 0.000 0.562 349 G N 0.696 109.580 108.800 0.140 0.000 2.539 349 G HA2 0.173 4.129 3.960 -0.006 0.000 0.256 349 G HA3 0.173 4.129 3.960 -0.006 0.000 0.256 349 G C 0.150 175.278 174.900 0.381 0.000 1.233 349 G CA -0.309 44.891 45.100 0.167 0.000 0.936 349 G HN 0.981 nan 8.290 nan 0.000 0.571 350 G N -2.957 106.068 108.800 0.375 0.000 2.430 350 G HA2 0.785 4.742 3.960 -0.006 0.000 0.300 350 G HA3 0.785 4.742 3.960 -0.006 0.000 0.300 350 G C 0.845 175.904 174.900 0.265 0.000 1.330 350 G CA 1.250 46.586 45.100 0.393 0.000 0.813 350 G HN 2.926 nan 8.290 nan 0.000 0.487 351 G N -0.314 108.574 108.800 0.147 0.000 2.697 351 G HA2 -0.001 3.956 3.960 -0.006 0.000 0.240 351 G HA3 -0.001 3.956 3.960 -0.006 0.000 0.240 351 G C -1.014 173.967 174.900 0.135 0.000 1.346 351 G CA 0.429 45.590 45.100 0.102 0.000 0.887 351 G HN 0.831 nan 8.290 nan 0.000 0.569 352 P HA -0.104 nan 4.420 nan 0.000 0.217 352 P C 1.300 178.643 177.300 0.071 0.000 1.151 352 P CA 1.867 64.993 63.100 0.043 0.000 0.849 352 P CB -0.146 31.499 31.700 -0.092 0.000 0.787 353 H N -3.097 116.039 119.070 0.109 0.000 2.539 353 H HA 0.087 4.640 4.556 -0.005 0.000 0.267 353 H C 0.591 176.014 175.328 0.158 0.000 0.982 353 H CA -0.403 55.712 56.048 0.111 0.000 1.146 353 H CB -0.580 29.171 29.762 -0.017 0.000 1.382 353 H HN 0.148 nan 8.280 nan 0.000 0.577 354 F N 2.355 122.388 119.950 0.138 0.000 2.568 354 F HA -0.164 4.360 4.527 -0.006 0.000 0.394 354 F C 0.907 176.765 175.800 0.097 0.000 1.032 354 F CA -0.406 57.662 58.000 0.112 0.000 1.242 354 F CB 0.221 39.267 39.000 0.076 0.000 0.966 354 F HN 0.129 nan 8.300 nan 0.000 0.560 355 C N 8.881 127.848 119.300 -0.556 0.000 2.298 355 C HA -0.073 4.383 4.460 -0.006 0.000 0.395 355 C C 1.727 176.498 174.990 -0.366 0.000 1.526 355 C CA -0.146 58.640 59.018 -0.387 0.000 1.458 355 C CB -1.648 25.936 27.740 -0.259 0.000 2.506 355 C HN 1.026 nan 8.230 nan 0.000 0.604 356 L N 6.027 127.125 121.223 -0.210 0.000 2.093 356 L HA 0.200 4.537 4.340 -0.006 0.000 0.208 356 L C 2.069 178.773 176.870 -0.276 0.000 1.085 356 L CA 2.409 57.126 54.840 -0.205 0.000 0.755 356 L CB -0.629 41.258 42.059 -0.287 0.000 0.904 356 L HN 0.883 nan 8.230 nan 0.000 0.435 357 G N -2.130 106.463 108.800 -0.345 0.000 3.814 357 G HA2 0.121 4.078 3.960 -0.006 0.000 0.293 357 G HA3 0.121 4.078 3.960 -0.006 0.000 0.293 357 G C 0.954 175.752 174.900 -0.170 0.000 1.243 357 G CA 0.398 45.367 45.100 -0.219 0.000 1.053 357 G HN 0.300 nan 8.290 nan 0.000 0.562 358 T N 1.299 115.649 114.554 -0.338 0.000 2.652 358 T HA -0.152 4.195 4.350 -0.006 0.000 0.267 358 T C 2.822 177.272 174.700 -0.417 0.000 1.039 358 T CA 1.728 63.388 62.100 -0.733 0.000 1.153 358 T CB -0.098 68.294 68.868 -0.793 0.000 0.863 358 T HN 0.406 nan 8.240 nan 0.000 0.428 359 A N 0.932 123.663 122.820 -0.148 0.000 1.930 359 A HA 0.027 4.343 4.320 -0.006 0.000 0.217 359 A C 2.238 179.829 177.584 0.012 0.000 1.175 359 A CA 1.165 53.176 52.037 -0.043 0.000 0.627 359 A CB -0.725 18.283 19.000 0.013 0.000 0.815 359 A HN 0.404 nan 8.150 nan 0.000 0.443 360 L N -0.276 120.984 121.223 0.061 0.000 2.056 360 L HA -0.018 4.319 4.340 -0.006 0.000 0.207 360 L C 2.656 179.593 176.870 0.111 0.000 1.078 360 L CA 2.076 56.987 54.840 0.119 0.000 0.749 360 L CB -0.766 41.431 42.059 0.232 0.000 0.901 360 L HN 0.331 nan 8.230 nan 0.000 0.433 361 A N -0.332 122.542 122.820 0.090 0.000 1.883 361 A HA -0.232 4.084 4.320 -0.006 0.000 0.217 361 A C 2.442 180.135 177.584 0.181 0.000 1.186 361 A CA 1.896 54.032 52.037 0.164 0.000 0.624 361 A CB -0.586 18.576 19.000 0.270 0.000 0.822 361 A HN 0.491 nan 8.150 nan 0.000 0.444 362 R N -1.240 119.336 120.500 0.126 0.000 2.096 362 R HA -0.115 4.222 4.340 -0.006 0.000 0.235 362 R C 2.144 178.516 176.300 0.120 0.000 1.127 362 R CA 1.391 57.577 56.100 0.143 0.000 0.968 362 R CB -0.568 29.788 30.300 0.093 0.000 0.861 362 R HN 0.515 nan 8.270 nan 0.000 0.440 363 L N 1.645 122.925 121.223 0.095 0.000 1.989 363 L HA -0.187 4.150 4.340 -0.006 0.000 0.211 363 L C 1.842 178.777 176.870 0.108 0.000 1.071 363 L CA 1.880 56.773 54.840 0.089 0.000 0.749 363 L CB -0.361 41.745 42.059 0.077 0.000 0.890 363 L HN 0.120 nan 8.230 nan 0.000 0.431 364 E N -0.551 119.726 120.200 0.129 0.000 2.085 364 E HA -0.241 4.106 4.350 -0.006 0.000 0.194 364 E C 2.246 178.956 176.600 0.183 0.000 0.994 364 E CA 1.689 58.176 56.400 0.145 0.000 0.801 364 E CB -0.305 29.485 29.700 0.151 0.000 0.743 364 E HN 0.524 nan 8.360 nan 0.000 0.453 365 L N 0.489 121.827 121.223 0.193 0.000 2.027 365 L HA -0.143 4.193 4.340 -0.006 0.000 0.206 365 L C 2.621 179.597 176.870 0.176 0.000 1.074 365 L CA 1.243 56.213 54.840 0.217 0.000 0.745 365 L CB -0.533 41.663 42.059 0.229 0.000 0.898 365 L HN 0.119 nan 8.230 nan 0.000 0.433 366 T N -0.972 113.664 114.554 0.136 0.000 2.708 366 T HA -0.153 4.194 4.350 -0.006 0.000 0.266 366 T C 1.797 176.536 174.700 0.065 0.000 1.037 366 T CA 1.144 63.298 62.100 0.089 0.000 1.146 366 T CB -0.142 68.769 68.868 0.072 0.000 0.865 366 T HN 0.269 nan 8.240 nan 0.000 0.435 367 E N 1.232 121.480 120.200 0.080 0.000 2.077 367 E HA -0.067 4.279 4.350 -0.006 0.000 0.193 367 E C 2.588 179.247 176.600 0.098 0.000 0.989 367 E CA 1.171 57.612 56.400 0.068 0.000 0.800 367 E CB -0.479 29.261 29.700 0.066 0.000 0.746 367 E HN 0.508 nan 8.360 nan 0.000 0.452 368 A N 1.130 124.057 122.820 0.178 0.000 1.858 368 A HA -0.149 4.168 4.320 -0.006 0.000 0.216 368 A C 2.656 180.288 177.584 0.080 0.000 1.190 368 A CA 1.686 53.883 52.037 0.266 0.000 0.617 368 A CB -0.851 18.418 19.000 0.449 0.000 0.827 368 A HN 0.129 nan 8.150 nan 0.000 0.443 369 V N -0.027 119.916 119.914 0.048 0.000 2.295 369 V HA -0.264 3.853 4.120 -0.006 0.000 0.246 369 V C 3.088 179.024 176.094 -0.262 0.000 1.049 369 V CA 2.071 64.305 62.300 -0.111 0.000 1.024 369 V CB -1.380 30.418 31.823 -0.042 0.000 0.648 369 V HN 0.638 nan 8.190 nan 0.000 0.447 370 A N 0.008 122.735 122.820 -0.155 0.000 1.883 370 A HA -0.187 4.130 4.320 -0.006 0.000 0.217 370 A C 2.409 179.880 177.584 -0.187 0.000 1.186 370 A CA 2.511 54.442 52.037 -0.175 0.000 0.624 370 A CB -0.893 18.052 19.000 -0.091 0.000 0.822 370 A HN 0.597 nan 8.150 nan 0.000 0.444 371 A N -0.659 122.091 122.820 -0.116 0.000 1.897 371 A HA 0.067 4.384 4.320 -0.006 0.000 0.215 371 A C 2.187 179.691 177.584 -0.134 0.000 1.181 371 A CA 1.348 53.330 52.037 -0.092 0.000 0.620 371 A CB -0.565 18.423 19.000 -0.020 0.000 0.821 371 A HN 0.455 nan 8.150 nan 0.000 0.443 372 L N -0.711 120.411 121.223 -0.168 0.000 2.046 372 L HA -0.196 4.141 4.340 -0.006 0.000 0.208 372 L C 3.063 179.816 176.870 -0.196 0.000 1.077 372 L CA 1.157 55.895 54.840 -0.171 0.000 0.747 372 L CB -0.447 41.560 42.059 -0.087 0.000 0.896 372 L HN 0.436 nan 8.230 nan 0.000 0.432 373 A N -0.810 121.621 122.820 -0.648 0.000 1.929 373 A HA -0.147 4.169 4.320 -0.006 0.000 0.216 373 A C 2.329 179.669 177.584 -0.406 0.000 1.176 373 A CA 2.012 53.447 52.037 -1.003 0.000 0.628 373 A CB -0.730 17.458 19.000 -1.355 0.000 0.816 373 A HN 0.378 nan 8.150 nan 0.000 0.444 374 T N -0.467 113.922 114.554 -0.275 0.000 2.857 374 T HA -0.066 4.281 4.350 -0.006 0.000 0.266 374 T C 1.966 176.619 174.700 -0.079 0.000 1.048 374 T CA 1.500 63.509 62.100 -0.152 0.000 1.139 374 T CB -0.121 68.672 68.868 -0.125 0.000 0.874 374 T HN 0.514 nan 8.240 nan 0.000 0.455 375 R N -0.349 120.110 120.500 -0.068 0.000 2.237 375 R HA 0.357 4.693 4.340 -0.006 0.000 0.195 375 R C 0.151 176.453 176.300 0.002 0.000 0.956 375 R CA 0.268 56.347 56.100 -0.035 0.000 1.029 375 R CB 0.305 30.575 30.300 -0.051 0.000 0.972 375 R HN 0.288 nan 8.270 nan 0.000 0.493 376 L N 0.473 121.727 121.223 0.053 0.000 2.333 376 L HA 0.367 4.704 4.340 -0.006 0.000 0.263 376 L C -0.519 176.546 176.870 0.325 0.000 1.014 376 L CA -1.291 53.618 54.840 0.114 0.000 0.820 376 L CB 1.713 43.711 42.059 -0.101 0.000 1.352 376 L HN -0.114 nan 8.230 nan 0.000 0.421 377 D N 0.913 121.453 120.400 0.234 0.000 2.363 377 D HA 0.176 4.813 4.640 -0.006 0.000 0.240 377 D C -2.310 173.989 176.300 -0.002 0.000 1.236 377 D CA -1.000 53.111 54.000 0.186 0.000 0.927 377 D CB 0.169 41.022 40.800 0.088 0.000 1.150 377 D HN 0.181 nan 8.370 nan 0.000 0.458 378 P HA 0.109 nan 4.420 nan 0.000 0.266 378 P C -2.385 174.489 177.300 -0.710 0.000 1.195 378 P CA -0.690 61.847 63.100 -0.938 0.000 0.768 378 P CB -0.122 31.340 31.700 -0.396 0.000 0.838 379 P HA 0.109 nan 4.420 nan 0.000 0.275 379 P C -0.949 175.984 177.300 -0.612 0.000 1.228 379 P CA 0.128 62.662 63.100 -0.943 0.000 0.786 379 P CB 0.782 31.848 31.700 -1.056 0.000 0.927 380 Q N 1.638 121.110 119.800 -0.548 0.000 2.304 380 Q HA 0.420 4.756 4.340 -0.006 0.000 0.270 380 Q C -0.292 175.496 176.000 -0.353 0.000 1.035 380 Q CA -1.063 54.516 55.803 -0.373 0.000 0.781 380 Q CB 1.827 30.401 28.738 -0.273 0.000 1.261 380 Q HN 0.358 nan 8.270 nan 0.000 0.444 381 I N 1.834 122.238 120.570 -0.277 0.000 2.741 381 I HA -0.056 4.111 4.170 -0.006 0.000 0.288 381 I C 0.797 176.809 176.117 -0.174 0.000 1.192 381 I CA 0.762 61.937 61.300 -0.208 0.000 1.426 381 I CB 0.279 38.206 38.000 -0.121 0.000 1.367 381 I HN 0.827 nan 8.210 nan 0.000 0.563 382 A N 4.942 127.658 122.820 -0.173 0.000 2.564 382 A HA 0.663 4.979 4.320 -0.006 0.000 0.279 382 A C 0.723 178.256 177.584 -0.085 0.000 1.232 382 A CA 0.365 52.321 52.037 -0.136 0.000 0.950 382 A CB 0.069 18.967 19.000 -0.169 0.000 1.138 382 A HN 0.978 nan 8.150 nan 0.000 0.526 383 G N -0.924 107.836 108.800 -0.067 0.000 2.324 383 G HA2 0.322 4.279 3.960 -0.006 0.000 0.293 383 G HA3 0.322 4.279 3.960 -0.006 0.000 0.293 383 G C -1.279 173.612 174.900 -0.016 0.000 1.297 383 G CA -0.676 44.403 45.100 -0.034 0.000 0.853 383 G HN 0.181 nan 8.290 nan 0.000 0.535 384 E N -0.273 119.930 120.200 0.004 0.000 2.376 384 E HA 0.309 4.655 4.350 -0.006 0.000 0.266 384 E C 0.037 176.636 176.600 -0.001 0.000 1.009 384 E CA -0.183 56.235 56.400 0.030 0.000 0.902 384 E CB 0.381 30.107 29.700 0.043 0.000 0.972 384 E HN 0.312 nan 8.360 nan 0.000 0.439 385 I N 3.428 124.000 120.570 0.003 0.000 2.428 385 I HA 0.082 4.249 4.170 -0.006 0.000 0.289 385 I C 0.192 176.199 176.117 -0.183 0.000 1.019 385 I CA -0.275 60.920 61.300 -0.177 0.000 1.351 385 I CB 1.554 39.340 38.000 -0.357 0.000 1.412 385 I HN 0.392 nan 8.210 nan 0.000 0.513 386 T N 4.851 119.253 114.554 -0.254 0.000 2.738 386 T HA 0.266 4.613 4.350 -0.006 0.000 0.298 386 T C -0.764 173.768 174.700 -0.280 0.000 0.962 386 T CA -0.358 61.654 62.100 -0.145 0.000 0.972 386 T CB -0.003 68.823 68.868 -0.071 0.000 0.928 386 T HN 0.288 nan 8.240 nan 0.000 0.474 387 W N 2.139 123.342 121.300 -0.161 0.000 2.438 387 W HA 0.563 5.221 4.660 -0.002 0.000 0.324 387 W C 0.639 176.862 176.519 -0.493 0.000 1.119 387 W CA -1.200 55.962 57.345 -0.304 0.000 1.221 387 W CB 0.679 29.934 29.460 -0.342 0.000 1.253 387 W HN 0.338 nan 8.180 nan 0.000 0.555 388 R N 2.042 122.503 120.500 -0.065 0.000 2.296 388 R HA 0.128 4.464 4.340 -0.006 0.000 0.323 388 R C -0.813 175.401 176.300 -0.143 0.000 1.067 388 R CA 0.036 56.076 56.100 -0.100 0.000 0.946 388 R CB -0.363 29.890 30.300 -0.078 0.000 0.991 388 R HN 0.498 nan 8.270 nan 0.000 0.448 389 H N 2.877 122.007 119.070 0.100 0.000 2.482 389 H HA 0.330 4.883 4.556 -0.005 0.000 0.231 389 H C -0.562 174.802 175.328 0.060 0.000 1.612 389 H CA -0.411 55.684 56.048 0.077 0.000 1.279 389 H CB 0.368 30.171 29.762 0.067 0.000 1.562 389 H HN 0.568 nan 8.280 nan 0.000 0.553 390 E N 0.848 121.134 120.200 0.142 0.000 2.446 390 E HA 0.289 4.636 4.350 -0.006 0.000 0.276 390 E C -0.985 175.681 176.600 0.111 0.000 0.969 390 E CA -1.135 55.329 56.400 0.107 0.000 0.800 390 E CB 2.706 32.446 29.700 0.068 0.000 1.341 390 E HN 0.188 nan 8.360 nan 0.000 0.460 391 L N 1.794 123.084 121.223 0.112 0.000 2.278 391 L HA 0.471 4.808 4.340 -0.006 0.000 0.287 391 L C 0.437 177.352 176.870 0.074 0.000 1.072 391 L CA 0.731 55.647 54.840 0.127 0.000 0.819 391 L CB -0.057 42.098 42.059 0.161 0.000 1.176 391 L HN 0.873 nan 8.230 nan 0.000 0.435 392 G N 2.874 111.700 108.800 0.043 0.000 2.214 392 G HA2 -0.173 3.783 3.960 -0.006 0.000 0.200 392 G HA3 -0.173 3.783 3.960 -0.006 0.000 0.200 392 G C -0.571 174.318 174.900 -0.018 0.000 1.126 392 G CA -0.359 44.745 45.100 0.007 0.000 1.284 392 G HN 0.365 nan 8.290 nan 0.000 0.493 393 V N 2.390 122.282 119.914 -0.037 0.000 2.540 393 V HA 0.465 4.581 4.120 -0.006 0.000 0.297 393 V C 0.978 176.973 176.094 -0.164 0.000 1.024 393 V CA 0.793 63.024 62.300 -0.116 0.000 1.105 393 V CB 0.265 31.980 31.823 -0.179 0.000 0.938 393 V HN 1.767 nan 8.190 nan 0.000 0.482 394 A N 3.929 126.679 122.820 -0.116 0.000 2.380 394 A HA 1.047 5.364 4.320 -0.006 0.000 0.315 394 A C 0.258 177.864 177.584 0.036 0.000 1.101 394 A CA 0.000 52.019 52.037 -0.031 0.000 0.771 394 A CB 1.897 20.930 19.000 0.054 0.000 1.287 394 A HN 1.960 nan 8.150 nan 0.000 0.436 395 G N -0.074 108.840 108.800 0.190 0.000 2.353 395 G HA2 0.326 4.283 3.960 -0.006 0.000 0.424 395 G HA3 0.326 4.283 3.960 -0.006 0.000 0.424 395 G C -3.612 171.382 174.900 0.157 0.000 1.320 395 G CA -0.716 44.556 45.100 0.287 0.000 0.995 395 G HN 0.648 nan 8.290 nan 0.000 0.580 396 P HA 0.318 nan 4.420 nan 0.000 0.276 396 P C -0.138 177.093 177.300 -0.115 0.000 1.235 396 P CA -0.129 62.704 63.100 -0.445 0.000 0.772 396 P CB 0.881 32.218 31.700 -0.604 0.000 0.871 397 D N 1.556 121.897 120.400 -0.097 0.000 2.271 397 D HA 0.110 4.746 4.640 -0.006 0.000 0.206 397 D C 0.515 176.766 176.300 -0.081 0.000 0.967 397 D CA 0.934 54.913 54.000 -0.036 0.000 0.867 397 D CB 0.322 41.137 40.800 0.025 0.000 0.960 397 D HN 0.370 nan 8.370 nan 0.000 0.509 398 A N 0.446 123.192 122.820 -0.122 0.000 2.427 398 A HA 0.580 4.897 4.320 -0.006 0.000 0.298 398 A C -1.650 175.853 177.584 -0.135 0.000 1.036 398 A CA -0.561 51.425 52.037 -0.084 0.000 0.701 398 A CB 1.448 20.416 19.000 -0.053 0.000 1.250 398 A HN 0.053 nan 8.150 nan 0.000 0.412 399 L N 4.434 125.621 121.223 -0.060 0.000 2.454 399 L HA 0.514 4.851 4.340 -0.006 0.000 0.258 399 L C -2.619 174.210 176.870 -0.067 0.000 1.025 399 L CA -1.690 53.095 54.840 -0.092 0.000 0.901 399 L CB 1.849 43.873 42.059 -0.058 0.000 1.210 399 L HN 0.412 nan 8.230 nan 0.000 0.457 400 P HA 0.371 nan 4.420 nan 0.000 0.276 400 P C -1.277 175.880 177.300 -0.239 0.000 1.253 400 P CA -0.134 62.888 63.100 -0.129 0.000 0.766 400 P CB 1.122 32.775 31.700 -0.079 0.000 0.845 401 L N 1.772 122.746 121.223 -0.415 0.000 2.630 401 L HA 0.834 5.171 4.340 -0.006 0.000 0.258 401 L C -0.775 175.670 176.870 -0.708 0.000 1.072 401 L CA -1.229 53.282 54.840 -0.548 0.000 0.885 401 L CB 1.659 43.327 42.059 -0.653 0.000 1.502 401 L HN 0.420 nan 8.230 nan 0.000 0.406 402 R N -0.425 119.708 120.500 -0.611 0.000 2.725 402 R HA 0.682 5.019 4.340 -0.006 0.000 0.277 402 R C -1.935 174.070 176.300 -0.491 0.000 0.987 402 R CA -0.549 55.293 56.100 -0.430 0.000 0.901 402 R CB 1.533 31.720 30.300 -0.188 0.000 1.207 402 R HN 0.490 nan 8.270 nan 0.000 0.463 403 F N 1.868 121.767 119.950 -0.085 0.000 2.335 403 F HA 0.539 5.063 4.527 -0.005 0.000 0.365 403 F C 0.875 176.632 175.800 -0.072 0.000 1.122 403 F CA 0.645 58.580 58.000 -0.109 0.000 1.151 403 F CB 1.560 40.559 39.000 -0.002 0.000 1.282 403 F HN 0.976 nan 8.300 nan 0.000 0.513 404 G N 1.489 110.289 108.800 -0.000 0.000 2.907 404 G HA2 0.169 4.125 3.960 -0.006 0.000 0.686 404 G HA3 0.169 4.125 3.960 -0.006 0.000 0.686 404 G C 0.434 175.314 174.900 -0.034 0.000 1.115 404 G CA -0.600 44.499 45.100 -0.002 0.000 0.760 404 G HN 0.913 nan 8.290 nan 0.000 0.620 405 A N 1.490 124.286 122.820 -0.041 0.000 1.902 405 A HA 0.501 4.818 4.320 -0.006 0.000 0.217 405 A C 2.156 179.726 177.584 -0.023 0.000 1.181 405 A CA 2.699 54.709 52.037 -0.044 0.000 0.623 405 A CB -0.604 18.372 19.000 -0.040 0.000 0.818 405 A HN 2.648 nan 8.150 nan 0.000 0.443 406 A N 0.000 122.817 122.820 -0.006 0.000 2.254 406 A HA 0.000 4.317 4.320 -0.006 0.000 0.244 406 A CA 0.000 52.040 52.037 0.005 0.000 0.836 406 A CB 0.000 19.005 19.000 0.009 0.000 0.831 406 A HN 0.000 nan 8.150 nan 0.000 0.486