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 3b60_1_D DATA FIRST_RESID 10 DATA SEQUENCE WQTFRRLWPT IAPFKAGLIV AGIALILNAA SDTFMLSLLK PLLDDGFGKT DATA SEQUENCE DRSVLLWMPL VVIGLMILRG ITSYISSYCI SWVSGKVVMT MRRRLFGHMM DATA SEQUENCE GMPVAFFDKQ STGTLLSRIT YDSEQVASSS SGALITVVRE GASIIGLFIM DATA SEQUENCE MFYYSWQLSI ILVVLAPIVS IAIRVVSKRF RSISKNMQNT MGQVTTSAEQ DATA SEQUENCE MLKGHKEVLI FGGQEVETKR FDKVSNKMRL QGMKMVSASS ISDPIIQLIA DATA SEQUENCE SLALAFVLYA ASFPSVMDSL TAGTITVVFS SMIALMRPLK SLTNVNAQFQ DATA SEQUENCE RGMAACQTLF AILDSEQEKD EGKRVIDRAT GDLEFRNVTF TYPGREVPAL DATA SEQUENCE RNINLKIPAG KTVALVGRSG SGKSTIASLI TRFYDIDEGH ILMDGHDLRE DATA SEQUENCE YTLASLRNQV ALVSQNVHLF NDTVANNIAY ARTEEYSREQ IEEAARMAYA DATA SEQUENCE MDFINKMDNG LDTIIGENGV LLSGGQRQRI AIARALLRDS PILILDEATS DATA SEQUENCE ALDTESERAI QAALDELQKN RTSLVIAHRL STIEQADEIV VVEDGIIVER DATA SEQUENCE GTHSELLAQH GVYAQLHKMQ FG 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 10 W HA 0.000 nan 4.660 nan 0.000 0.303 10 W C 0.000 176.705 176.519 0.310 0.000 1.175 10 W CA 0.000 57.475 57.345 0.217 0.000 1.226 10 W CB 0.000 29.536 29.460 0.126 0.000 1.126 11 Q N -0.316 118.929 119.800 -0.926 0.000 1.097 11 Q HA -0.394 3.946 4.340 0.000 0.000 0.315 11 Q C 1.234 177.031 176.000 -0.337 0.000 1.024 11 Q CA 3.182 58.493 55.803 -0.820 0.000 0.655 11 Q CB -1.503 27.042 28.738 -0.322 0.000 4.546 11 Q HN 1.087 nan 8.270 nan 0.000 0.464 12 T N -0.742 113.635 114.554 -0.295 0.000 2.594 12 T HA -0.262 4.088 4.350 0.000 0.000 0.266 12 T C 1.603 176.254 174.700 -0.082 0.000 1.070 12 T CA 2.735 64.719 62.100 -0.193 0.000 1.166 12 T CB -0.961 67.672 68.868 -0.391 0.000 0.862 12 T HN 0.408 nan 8.240 nan 0.000 0.436 13 F N 2.680 122.682 119.950 0.087 0.000 2.065 13 F HA -0.024 4.503 4.527 0.000 0.000 0.298 13 F C 2.890 178.786 175.800 0.159 0.000 1.112 13 F CA 1.449 59.529 58.000 0.133 0.000 1.212 13 F CB -1.079 38.042 39.000 0.200 0.000 0.975 13 F HN 0.114 nan 8.300 nan 0.000 0.476 14 R N 1.327 122.011 120.500 0.306 0.000 2.094 14 R HA -0.211 4.129 4.340 0.000 0.000 0.239 14 R C 2.208 178.631 176.300 0.205 0.000 1.137 14 R CA 2.005 58.221 56.100 0.193 0.000 0.943 14 R CB -0.857 29.364 30.300 -0.131 0.000 0.850 14 R HN 0.270 nan 8.270 nan 0.000 0.433 15 R N -0.130 120.432 120.500 0.103 0.000 2.249 15 R HA -0.099 4.241 4.340 0.000 0.000 0.230 15 R C 2.111 178.613 176.300 0.337 0.000 1.121 15 R CA 1.457 57.618 56.100 0.102 0.000 0.997 15 R CB -0.296 29.977 30.300 -0.045 0.000 0.867 15 R HN 0.458 nan 8.270 nan 0.000 0.465 16 L N -0.737 120.798 121.223 0.521 0.000 2.249 16 L HA -0.038 4.302 4.340 0.000 0.000 0.207 16 L C 1.800 178.863 176.870 0.321 0.000 1.090 16 L CA 0.442 55.593 54.840 0.519 0.000 0.802 16 L CB -0.245 41.919 42.059 0.174 0.000 0.947 16 L HN 0.293 nan 8.230 nan 0.000 0.453 17 W N 2.137 123.535 121.300 0.163 0.000 2.331 17 W HA -0.150 4.510 4.660 0.000 0.000 0.291 17 W C -1.009 175.567 176.519 0.096 0.000 1.214 17 W CA 1.419 58.840 57.345 0.127 0.000 1.228 17 W CB -1.479 28.058 29.460 0.128 0.000 1.135 17 W HN 0.128 nan 8.180 nan 0.000 0.537 18 P HA -0.228 nan 4.420 nan 0.000 0.215 18 P C 1.759 178.898 177.300 -0.267 0.000 1.157 18 P CA 3.573 66.548 63.100 -0.208 0.000 0.874 18 P CB -0.607 31.061 31.700 -0.054 0.000 0.790 19 T N -4.002 110.486 114.554 -0.110 0.000 3.035 19 T HA -0.006 4.344 4.350 0.000 0.000 0.268 19 T C 1.621 176.276 174.700 -0.074 0.000 1.109 19 T CA 0.701 62.754 62.100 -0.078 0.000 1.119 19 T CB -0.749 68.146 68.868 0.045 0.000 0.900 19 T HN -0.058 nan 8.240 nan 0.000 0.503 20 I N 1.329 121.823 120.570 -0.126 0.000 2.867 20 I HA 0.211 4.381 4.170 0.000 0.000 0.265 20 I C 3.031 179.010 176.117 -0.230 0.000 1.162 20 I CA 0.643 61.917 61.300 -0.043 0.000 1.471 20 I CB -1.573 36.447 38.000 0.032 0.000 1.123 20 I HN 0.315 nan 8.210 nan 0.000 0.440 21 A N 2.806 125.234 122.820 -0.653 0.000 1.863 21 A HA -0.201 4.119 4.320 0.000 0.000 0.218 21 A C -0.043 177.314 177.584 -0.379 0.000 1.233 21 A CA 2.259 53.846 52.037 -0.751 0.000 0.655 21 A CB -2.303 16.081 19.000 -1.027 0.000 0.839 21 A HN 0.249 nan 8.150 nan 0.000 0.454 22 P HA -0.129 nan 4.420 nan 0.000 0.223 22 P C 0.320 177.362 177.300 -0.431 0.000 1.140 22 P CA 1.063 63.868 63.100 -0.492 0.000 0.783 22 P CB -0.133 31.140 31.700 -0.711 0.000 0.759 23 F N -1.127 118.830 119.950 0.012 0.000 2.661 23 F HA 0.186 4.713 4.527 0.000 0.000 0.306 23 F C 1.782 177.740 175.800 0.262 0.000 1.094 23 F CA -0.482 57.626 58.000 0.179 0.000 1.254 23 F CB -0.572 38.377 39.000 -0.085 0.000 1.040 23 F HN -0.077 nan 8.300 nan 0.000 0.562 24 K N 0.472 121.025 120.400 0.254 0.000 2.360 24 K HA -0.082 4.238 4.320 0.000 0.000 0.201 24 K C 1.913 178.637 176.600 0.207 0.000 1.046 24 K CA 1.248 57.677 56.287 0.236 0.000 0.940 24 K CB -0.487 32.142 32.500 0.215 0.000 0.748 24 K HN 0.165 nan 8.250 nan 0.000 0.465 25 A N 1.731 124.664 122.820 0.188 0.000 2.019 25 A HA -0.047 4.273 4.320 0.000 0.000 0.219 25 A C 2.410 180.003 177.584 0.016 0.000 1.164 25 A CA 1.602 53.682 52.037 0.073 0.000 0.644 25 A CB -0.999 18.003 19.000 0.004 0.000 0.805 25 A HN 0.564 nan 8.150 nan 0.000 0.449 26 G N -0.498 108.360 108.800 0.095 0.000 2.396 26 G HA2 -0.065 3.895 3.960 0.000 0.000 0.214 26 G HA3 -0.065 3.895 3.960 0.000 0.000 0.214 26 G C 1.538 176.473 174.900 0.057 0.000 1.166 26 G CA 0.743 45.853 45.100 0.018 0.000 0.793 26 G HN 0.454 nan 8.290 nan 0.000 0.533 27 L N 0.139 121.446 121.223 0.140 0.000 1.989 27 L HA -0.044 4.296 4.340 0.000 0.000 0.211 27 L C 2.661 179.583 176.870 0.087 0.000 1.071 27 L CA 1.512 56.426 54.840 0.123 0.000 0.749 27 L CB -0.196 41.969 42.059 0.178 0.000 0.890 27 L HN 0.276 nan 8.230 nan 0.000 0.431 28 I N -1.092 119.531 120.570 0.089 0.000 2.179 28 I HA -0.277 3.893 4.170 0.000 0.000 0.242 28 I C 2.254 178.400 176.117 0.049 0.000 1.088 28 I CA 1.296 62.636 61.300 0.068 0.000 1.357 28 I CB 0.082 38.124 38.000 0.070 0.000 1.051 28 I HN 0.073 nan 8.210 nan 0.000 0.409 29 V N 1.338 121.275 119.914 0.039 0.000 2.568 29 V HA -0.287 3.833 4.120 0.000 0.000 0.253 29 V C 2.544 178.673 176.094 0.057 0.000 1.072 29 V CA 1.794 64.126 62.300 0.054 0.000 1.084 29 V CB -1.129 30.744 31.823 0.084 0.000 0.676 29 V HN 0.596 nan 8.190 nan 0.000 0.469 30 A N 0.184 123.018 122.820 0.024 0.000 1.975 30 A HA 0.125 4.445 4.320 0.000 0.000 0.215 30 A C 2.350 179.954 177.584 0.033 0.000 1.170 30 A CA 1.295 53.344 52.037 0.020 0.000 0.656 30 A CB -0.719 18.277 19.000 -0.006 0.000 0.821 30 A HN 0.501 nan 8.150 nan 0.000 0.449 31 G N -0.167 108.655 108.800 0.037 0.000 2.448 31 G HA2 -0.032 3.928 3.960 0.000 0.000 0.218 31 G HA3 -0.032 3.928 3.960 0.000 0.000 0.218 31 G C 1.279 176.197 174.900 0.030 0.000 1.135 31 G CA 0.915 46.035 45.100 0.034 0.000 0.784 31 G HN 0.351 nan 8.290 nan 0.000 0.543 32 I N 1.579 122.169 120.570 0.033 0.000 2.617 32 I HA 0.029 4.199 4.170 0.000 0.000 0.256 32 I C 3.052 179.185 176.117 0.027 0.000 1.167 32 I CA 0.904 62.220 61.300 0.028 0.000 1.469 32 I CB -1.002 37.015 38.000 0.029 0.000 1.098 32 I HN 0.233 nan 8.210 nan 0.000 0.436 33 A N 0.897 123.738 122.820 0.036 0.000 1.929 33 A HA -0.125 4.195 4.320 0.000 0.000 0.216 33 A C 2.409 180.010 177.584 0.030 0.000 1.176 33 A CA 0.885 52.944 52.037 0.037 0.000 0.628 33 A CB -0.648 18.384 19.000 0.054 0.000 0.816 33 A HN 0.365 nan 8.150 nan 0.000 0.444 34 L N -0.732 120.508 121.223 0.028 0.000 1.976 34 L HA -0.204 4.136 4.340 0.000 0.000 0.209 34 L C 2.406 179.288 176.870 0.020 0.000 1.071 34 L CA 1.740 56.594 54.840 0.024 0.000 0.746 34 L CB -0.374 41.698 42.059 0.022 0.000 0.890 34 L HN 0.339 nan 8.230 nan 0.000 0.432 35 I N -0.105 120.476 120.570 0.018 0.000 2.113 35 I HA -0.364 3.806 4.170 0.000 0.000 0.242 35 I C 2.316 178.441 176.117 0.014 0.000 1.064 35 I CA 1.511 62.820 61.300 0.016 0.000 1.320 35 I CB -0.615 37.394 38.000 0.014 0.000 1.028 35 I HN 0.187 nan 8.210 nan 0.000 0.406 36 L N -0.077 121.151 121.223 0.009 0.000 2.127 36 L HA -0.234 4.107 4.340 0.000 0.000 0.211 36 L C 2.061 178.930 176.870 -0.001 0.000 1.089 36 L CA 1.789 56.627 54.840 -0.002 0.000 0.757 36 L CB -1.068 40.987 42.059 -0.006 0.000 0.899 36 L HN 0.358 nan 8.230 nan 0.000 0.434 37 N N -1.346 117.361 118.700 0.012 0.000 2.354 37 N HA -0.086 4.654 4.740 0.000 0.000 0.179 37 N C 1.854 177.378 175.510 0.024 0.000 1.021 37 N CA 0.634 53.694 53.050 0.017 0.000 0.887 37 N CB 0.075 38.576 38.487 0.023 0.000 0.974 37 N HN 0.370 nan 8.380 nan 0.000 0.437 38 A N 1.215 124.050 122.820 0.025 0.000 1.902 38 A HA -0.031 4.289 4.320 0.000 0.000 0.217 38 A C 2.295 179.913 177.584 0.057 0.000 1.181 38 A CA 1.638 53.695 52.037 0.034 0.000 0.623 38 A CB -0.695 18.321 19.000 0.027 0.000 0.818 38 A HN 0.337 nan 8.150 nan 0.000 0.443 39 A N -0.891 121.959 122.820 0.051 0.000 1.933 39 A HA -0.088 4.232 4.320 0.000 0.000 0.218 39 A C 2.440 180.083 177.584 0.097 0.000 1.175 39 A CA 2.028 54.116 52.037 0.084 0.000 0.628 39 A CB -0.923 18.084 19.000 0.013 0.000 0.814 39 A HN 0.566 nan 8.150 nan 0.000 0.444 40 S N -0.368 115.344 115.700 0.020 0.000 2.442 40 S HA -0.157 4.313 4.470 0.000 0.000 0.236 40 S C 1.331 175.992 174.600 0.101 0.000 1.007 40 S CA 1.615 59.826 58.200 0.019 0.000 0.965 40 S CB -0.497 62.702 63.200 -0.002 0.000 0.773 40 S HN 0.576 nan 8.310 nan 0.000 0.504 41 D N 0.651 121.112 120.400 0.101 0.000 2.162 41 D HA -0.014 4.626 4.640 0.000 0.000 0.205 41 D C 2.371 178.741 176.300 0.117 0.000 0.964 41 D CA 1.671 55.726 54.000 0.091 0.000 0.847 41 D CB -0.982 39.853 40.800 0.057 0.000 0.988 41 D HN 0.641 nan 8.370 nan 0.000 0.480 42 T N -1.272 113.378 114.554 0.160 0.000 2.833 42 T HA -0.153 4.197 4.350 0.000 0.000 0.269 42 T C 1.881 176.643 174.700 0.104 0.000 1.054 42 T CA 0.803 62.975 62.100 0.120 0.000 1.135 42 T CB -0.579 68.367 68.868 0.131 0.000 0.869 42 T HN -0.036 nan 8.240 nan 0.000 0.466 43 F N 0.829 120.781 119.950 0.003 0.000 2.234 43 F HA 0.338 4.865 4.527 0.000 0.000 0.296 43 F C 2.490 178.291 175.800 0.002 0.000 1.089 43 F CA 0.320 58.324 58.000 0.006 0.000 1.343 43 F CB -0.506 38.511 39.000 0.029 0.000 1.040 43 F HN 0.039 nan 8.300 nan 0.000 0.498 44 M N -0.436 119.279 119.600 0.191 0.000 2.296 44 M HA -0.114 4.366 4.480 0.000 0.000 0.265 44 M C 2.287 178.617 176.300 0.050 0.000 1.064 44 M CA 1.164 56.527 55.300 0.106 0.000 1.109 44 M CB -1.212 31.439 32.600 0.085 0.000 1.396 44 M HN 0.254 nan 8.290 nan 0.000 0.430 45 L N -0.788 120.455 121.223 0.032 0.000 2.209 45 L HA -0.008 4.332 4.340 0.000 0.000 0.207 45 L C 1.309 178.153 176.870 -0.044 0.000 1.094 45 L CA 0.718 55.554 54.840 -0.006 0.000 0.790 45 L CB 0.022 42.074 42.059 -0.011 0.000 0.932 45 L HN 0.070 nan 8.230 nan 0.000 0.447 46 S N 0.751 116.408 115.700 -0.071 0.000 2.942 46 S HA 0.106 4.576 4.470 0.000 0.000 0.244 46 S C 0.875 175.385 174.600 -0.150 0.000 1.011 46 S CA 0.141 58.253 58.200 -0.146 0.000 1.102 46 S CB 0.038 63.082 63.200 -0.260 0.000 0.812 46 S HN 0.389 nan 8.310 nan 0.000 0.486 47 L N -0.845 120.324 121.223 -0.090 0.000 2.598 47 L HA 0.206 4.546 4.340 0.000 0.000 0.284 47 L C 0.913 177.757 176.870 -0.043 0.000 1.073 47 L CA 0.482 55.269 54.840 -0.090 0.000 1.361 47 L CB -0.840 41.204 42.059 -0.026 0.000 2.544 47 L HN 0.203 nan 8.230 nan 0.000 0.561 48 L N 1.047 122.261 121.223 -0.015 0.000 2.027 48 L HA -0.104 4.236 4.340 0.000 0.000 0.206 48 L C 2.481 179.345 176.870 -0.010 0.000 1.074 48 L CA 1.509 56.349 54.840 -0.001 0.000 0.745 48 L CB -1.033 41.033 42.059 0.011 0.000 0.898 48 L HN 0.299 nan 8.230 nan 0.000 0.433 49 K N 0.182 120.570 120.400 -0.021 0.000 2.062 49 K HA -0.100 4.221 4.320 0.000 0.000 0.205 49 K C -0.263 176.321 176.600 -0.026 0.000 1.051 49 K CA 0.953 57.229 56.287 -0.020 0.000 0.941 49 K CB -0.958 31.528 32.500 -0.024 0.000 0.719 49 K HN 0.170 nan 8.250 nan 0.000 0.440 50 P HA -0.091 nan 4.420 nan 0.000 0.214 50 P C 1.334 178.614 177.300 -0.032 0.000 1.162 50 P CA 1.050 64.118 63.100 -0.053 0.000 0.879 50 P CB 0.021 31.663 31.700 -0.096 0.000 0.786 51 L N -1.622 119.583 121.223 -0.031 0.000 2.633 51 L HA -0.111 4.229 4.340 0.000 0.000 0.235 51 L C 1.986 178.864 176.870 0.013 0.000 1.163 51 L CA 0.122 54.959 54.840 -0.004 0.000 0.859 51 L CB -0.557 41.505 42.059 0.005 0.000 0.973 51 L HN 0.046 nan 8.230 nan 0.000 0.451 52 L N 0.761 121.988 121.223 0.007 0.000 1.909 52 L HA -0.213 4.127 4.340 0.000 0.000 0.216 52 L C 1.978 178.862 176.870 0.023 0.000 1.097 52 L CA 2.529 57.378 54.840 0.014 0.000 0.777 52 L CB -0.456 41.607 42.059 0.007 0.000 0.887 52 L HN 0.388 nan 8.230 nan 0.000 0.432 53 D N -2.424 117.988 120.400 0.019 0.000 2.183 53 D HA -0.152 4.488 4.640 0.000 0.000 0.205 53 D C 1.438 177.763 176.300 0.041 0.000 0.962 53 D CA 0.837 54.853 54.000 0.026 0.000 0.849 53 D CB -0.507 40.303 40.800 0.016 0.000 0.978 53 D HN 0.389 nan 8.370 nan 0.000 0.488 54 D N -0.043 120.374 120.400 0.029 0.000 2.352 54 D HA 0.075 4.715 4.640 0.000 0.000 0.232 54 D C 2.082 178.411 176.300 0.048 0.000 1.055 54 D CA 0.558 54.579 54.000 0.035 0.000 0.891 54 D CB -0.266 40.537 40.800 0.004 0.000 0.897 54 D HN 0.252 nan 8.370 nan 0.000 0.529 55 G N 0.677 109.512 108.800 0.059 0.000 2.672 55 G HA2 -0.312 3.648 3.960 0.000 0.000 0.218 55 G HA3 -0.312 3.648 3.960 0.000 0.000 0.218 55 G C 0.666 175.624 174.900 0.096 0.000 1.238 55 G CA 0.281 45.423 45.100 0.069 0.000 0.791 55 G HN 0.416 nan 8.290 nan 0.000 0.606 56 F N 1.956 121.909 119.950 0.005 0.000 2.652 56 F HA 0.500 5.027 4.527 0.000 0.000 0.352 56 F C 1.136 176.939 175.800 0.004 0.000 1.259 56 F CA -0.072 57.933 58.000 0.007 0.000 1.249 56 F CB 0.227 39.230 39.000 0.006 0.000 1.628 56 F HN 0.145 nan 8.300 nan 0.000 0.654 57 G N 2.776 111.568 108.800 -0.014 0.000 4.260 57 G HA2 -0.017 3.943 3.960 0.000 0.000 0.164 57 G HA3 -0.017 3.943 3.960 0.000 0.000 0.164 57 G C 0.546 175.412 174.900 -0.057 0.000 0.955 57 G CA -0.350 44.749 45.100 -0.001 0.000 0.797 57 G HN 0.208 nan 8.290 nan 0.000 0.516 58 K N 1.543 121.900 120.400 -0.071 0.000 2.562 58 K HA 0.172 4.492 4.320 0.000 0.000 0.201 58 K C 0.824 177.387 176.600 -0.063 0.000 1.131 58 K CA 0.328 56.582 56.287 -0.054 0.000 1.059 58 K CB 0.645 33.124 32.500 -0.034 0.000 0.913 58 K HN 0.343 nan 8.250 nan 0.000 0.563 59 T N -0.359 114.111 114.554 -0.141 0.000 4.216 59 T HA 0.082 4.432 4.350 0.000 0.000 0.221 59 T C 0.279 174.912 174.700 -0.111 0.000 0.939 59 T CA 0.487 62.499 62.100 -0.145 0.000 1.218 59 T CB 0.073 68.765 68.868 -0.292 0.000 1.266 59 T HN 0.211 nan 8.240 nan 0.000 0.917 60 D N 1.950 122.326 120.400 -0.039 0.000 1.948 60 D HA -0.143 4.497 4.640 0.000 0.000 0.034 60 D C 1.671 177.989 176.300 0.031 0.000 1.448 60 D CA 0.186 54.175 54.000 -0.018 0.000 0.627 60 D CB -0.492 40.284 40.800 -0.039 0.000 3.227 60 D HN 0.457 nan 8.370 nan 0.000 0.192 61 R N 1.607 122.137 120.500 0.049 0.000 2.088 61 R HA -0.013 4.327 4.340 0.000 0.000 0.232 61 R C 2.292 178.739 176.300 0.245 0.000 1.136 61 R CA 2.394 58.561 56.100 0.112 0.000 0.926 61 R CB -1.063 29.303 30.300 0.111 0.000 0.837 61 R HN 0.128 nan 8.270 nan 0.000 0.429 62 S N 0.507 116.345 115.700 0.229 0.000 2.349 62 S HA -0.132 4.338 4.470 0.000 0.000 0.216 62 S C 2.113 176.908 174.600 0.325 0.000 1.033 62 S CA 1.477 59.857 58.200 0.300 0.000 1.021 62 S CB -0.454 62.761 63.200 0.025 0.000 0.968 62 S HN 0.240 nan 8.310 nan 0.000 0.426 63 V N 2.379 122.380 119.914 0.144 0.000 2.225 63 V HA -0.270 3.850 4.120 0.000 0.000 0.252 63 V C 2.443 178.612 176.094 0.124 0.000 1.055 63 V CA 2.567 64.932 62.300 0.108 0.000 1.032 63 V CB -0.916 30.934 31.823 0.046 0.000 0.655 63 V HN 0.604 nan 8.190 nan 0.000 0.458 64 L N -1.135 120.138 121.223 0.083 0.000 1.943 64 L HA -0.207 4.133 4.340 0.000 0.000 0.215 64 L C 2.365 179.250 176.870 0.025 0.000 1.074 64 L CA 2.042 56.909 54.840 0.045 0.000 0.759 64 L CB -0.389 41.680 42.059 0.017 0.000 0.888 64 L HN 0.393 nan 8.230 nan 0.000 0.433 65 L N -1.197 120.021 121.223 -0.008 0.000 2.349 65 L HA -0.196 4.144 4.340 0.000 0.000 0.220 65 L C 1.356 178.015 176.870 -0.351 0.000 1.130 65 L CA 1.683 56.407 54.840 -0.193 0.000 0.791 65 L CB -0.544 41.342 42.059 -0.287 0.000 0.918 65 L HN 0.339 nan 8.230 nan 0.000 0.444 66 W N -2.247 119.057 121.300 0.006 0.000 3.220 66 W HA 0.203 4.863 4.660 0.000 0.000 0.328 66 W C 2.092 178.621 176.519 0.016 0.000 1.205 66 W CA -0.040 57.314 57.345 0.015 0.000 1.773 66 W CB -0.209 29.261 29.460 0.017 0.000 1.086 66 W HN 0.063 nan 8.180 nan 0.000 0.622 67 M N 1.800 121.486 119.600 0.144 0.000 2.099 67 M HA -0.055 4.425 4.480 0.000 0.000 0.262 67 M C -1.083 175.253 176.300 0.060 0.000 1.067 67 M CA 1.922 57.279 55.300 0.095 0.000 1.124 67 M CB -1.161 31.474 32.600 0.059 0.000 1.353 67 M HN -0.255 nan 8.290 nan 0.000 0.410 68 P HA -0.067 nan 4.420 nan 0.000 0.234 68 P C 1.142 178.445 177.300 0.006 0.000 1.167 68 P CA 0.815 63.913 63.100 -0.004 0.000 0.763 68 P CB -0.044 31.631 31.700 -0.040 0.000 0.835 69 L N -1.504 119.743 121.223 0.040 0.000 2.529 69 L HA 0.092 4.432 4.340 0.000 0.000 0.223 69 L C 1.900 178.843 176.870 0.121 0.000 1.113 69 L CA 0.935 55.824 54.840 0.082 0.000 0.861 69 L CB -0.674 41.475 42.059 0.150 0.000 1.012 69 L HN -0.178 nan 8.230 nan 0.000 0.461 70 V N -1.627 118.357 119.914 0.116 0.000 2.379 70 V HA -0.127 3.993 4.120 0.000 0.000 0.243 70 V C 2.222 178.352 176.094 0.061 0.000 1.035 70 V CA 1.593 63.954 62.300 0.101 0.000 1.035 70 V CB 0.374 32.255 31.823 0.096 0.000 0.673 70 V HN 0.200 nan 8.190 nan 0.000 0.457 71 V N 0.280 120.221 119.914 0.045 0.000 2.490 71 V HA -0.187 3.933 4.120 0.000 0.000 0.250 71 V C 2.257 178.360 176.094 0.016 0.000 1.061 71 V CA 1.980 64.295 62.300 0.025 0.000 1.064 71 V CB -0.513 31.320 31.823 0.016 0.000 0.670 71 V HN 0.466 nan 8.190 nan 0.000 0.461 72 I N 1.050 121.629 120.570 0.015 0.000 2.400 72 I HA 0.070 4.240 4.170 0.000 0.000 0.248 72 I C 2.588 178.707 176.117 0.002 0.000 1.109 72 I CA 1.309 62.610 61.300 0.002 0.000 1.425 72 I CB -1.555 36.442 38.000 -0.006 0.000 1.094 72 I HN 0.224 nan 8.210 nan 0.000 0.425 73 G N 0.714 109.527 108.800 0.021 0.000 2.476 73 G HA2 -0.255 3.705 3.960 0.000 0.000 0.218 73 G HA3 -0.255 3.705 3.960 0.000 0.000 0.218 73 G C 1.791 176.692 174.900 0.001 0.000 1.164 73 G CA 1.129 46.235 45.100 0.010 0.000 0.768 73 G HN 0.353 nan 8.290 nan 0.000 0.560 74 L N -0.558 120.677 121.223 0.020 0.000 1.982 74 L HA 0.002 4.342 4.340 0.000 0.000 0.206 74 L C 3.002 179.876 176.870 0.007 0.000 1.078 74 L CA 1.013 55.863 54.840 0.017 0.000 0.749 74 L CB -0.217 41.859 42.059 0.027 0.000 0.894 74 L HN 0.094 nan 8.230 nan 0.000 0.436 75 M N 0.055 119.658 119.600 0.005 0.000 2.226 75 M HA -0.315 4.165 4.480 0.000 0.000 0.257 75 M C 2.299 178.595 176.300 -0.007 0.000 1.070 75 M CA 1.935 57.233 55.300 -0.003 0.000 1.087 75 M CB -1.450 31.145 32.600 -0.008 0.000 1.278 75 M HN 0.248 nan 8.290 nan 0.000 0.426 76 I N 0.172 120.734 120.570 -0.013 0.000 2.032 76 I HA -0.322 3.848 4.170 0.000 0.000 0.231 76 I C 2.627 178.734 176.117 -0.017 0.000 1.035 76 I CA 1.648 62.937 61.300 -0.019 0.000 1.312 76 I CB -1.442 36.540 38.000 -0.030 0.000 1.041 76 I HN 0.318 nan 8.210 nan 0.000 0.390 77 L N -0.369 120.836 121.223 -0.029 0.000 1.961 77 L HA -0.255 4.085 4.340 0.000 0.000 0.210 77 L C 2.768 179.636 176.870 -0.004 0.000 1.072 77 L CA 1.494 56.316 54.840 -0.029 0.000 0.749 77 L CB -0.770 41.251 42.059 -0.062 0.000 0.889 77 L HN 0.219 nan 8.230 nan 0.000 0.432 78 R N 0.503 121.005 120.500 0.003 0.000 2.113 78 R HA -0.158 4.182 4.340 0.000 0.000 0.231 78 R C 2.163 178.482 176.300 0.031 0.000 1.129 78 R CA 2.059 58.170 56.100 0.019 0.000 0.915 78 R CB -1.339 28.974 30.300 0.021 0.000 0.837 78 R HN 0.380 nan 8.270 nan 0.000 0.430 79 G N 0.215 109.031 108.800 0.026 0.000 2.514 79 G HA2 -0.275 3.685 3.960 0.000 0.000 0.217 79 G HA3 -0.275 3.685 3.960 0.000 0.000 0.217 79 G C 1.429 176.367 174.900 0.064 0.000 1.198 79 G CA 1.237 46.357 45.100 0.033 0.000 0.780 79 G HN 0.328 nan 8.290 nan 0.000 0.565 80 I N 1.050 121.651 120.570 0.051 0.000 2.361 80 I HA -0.095 4.075 4.170 0.000 0.000 0.251 80 I C 2.917 179.100 176.117 0.110 0.000 1.133 80 I CA 1.472 62.825 61.300 0.089 0.000 1.413 80 I CB -0.334 37.690 38.000 0.041 0.000 1.073 80 I HN 0.095 nan 8.210 nan 0.000 0.424 81 T N -1.350 113.245 114.554 0.068 0.000 2.942 81 T HA -0.116 4.234 4.350 0.000 0.000 0.265 81 T C 2.136 176.883 174.700 0.079 0.000 1.062 81 T CA 1.415 63.550 62.100 0.059 0.000 1.139 81 T CB -0.145 68.743 68.868 0.033 0.000 0.883 81 T HN 0.318 nan 8.240 nan 0.000 0.468 82 S N 0.401 116.157 115.700 0.094 0.000 2.368 82 S HA -0.122 4.348 4.470 0.000 0.000 0.224 82 S C 1.779 176.468 174.600 0.148 0.000 1.029 82 S CA 0.814 59.075 58.200 0.101 0.000 0.988 82 S CB -0.419 62.836 63.200 0.092 0.000 0.838 82 S HN 0.643 nan 8.310 nan 0.000 0.462 83 Y N 1.006 121.334 120.300 0.046 0.000 2.583 83 Y HA 0.244 4.795 4.550 0.000 0.000 0.293 83 Y C 1.451 177.427 175.900 0.127 0.000 1.157 83 Y CA 0.367 58.507 58.100 0.067 0.000 1.315 83 Y CB -0.037 38.439 38.460 0.027 0.000 1.021 83 Y HN 0.258 nan 8.280 nan 0.000 0.536 84 I N -1.257 119.332 120.570 0.031 0.000 2.585 84 I HA -0.123 4.047 4.170 0.000 0.000 0.254 84 I C 2.213 178.443 176.117 0.188 0.000 1.129 84 I CA 0.829 62.180 61.300 0.084 0.000 1.455 84 I CB -1.160 36.881 38.000 0.068 0.000 1.111 84 I HN 0.146 nan 8.210 nan 0.000 0.433 85 S N 1.051 116.800 115.700 0.081 0.000 2.335 85 S HA -0.112 4.358 4.470 0.000 0.000 0.216 85 S C 2.237 176.837 174.600 0.001 0.000 1.032 85 S CA 1.656 59.879 58.200 0.039 0.000 1.000 85 S CB -0.209 63.016 63.200 0.040 0.000 0.928 85 S HN 0.362 nan 8.310 nan 0.000 0.434 86 S N 1.178 116.892 115.700 0.022 0.000 2.365 86 S HA -0.190 4.280 4.470 0.000 0.000 0.225 86 S C 1.646 176.221 174.600 -0.040 0.000 1.039 86 S CA 1.798 60.006 58.200 0.012 0.000 1.033 86 S CB -0.748 62.492 63.200 0.066 0.000 0.887 86 S HN 0.629 nan 8.310 nan 0.000 0.447 87 Y N 1.542 121.719 120.300 -0.206 0.000 1.956 87 Y HA -0.343 4.207 4.550 0.000 0.000 0.258 87 Y C 2.587 178.414 175.900 -0.121 0.000 1.152 87 Y CA 1.427 59.350 58.100 -0.294 0.000 1.093 87 Y CB -1.265 36.836 38.460 -0.599 0.000 0.945 87 Y HN 0.280 nan 8.280 nan 0.000 0.488 88 C N 0.414 118.942 119.300 -1.286 0.000 2.448 88 C HA -0.014 4.446 4.460 0.000 0.000 0.280 88 C C 2.863 177.689 174.990 -0.273 0.000 1.398 88 C CA 0.716 59.119 59.018 -1.025 0.000 1.774 88 C CB -1.882 25.350 27.740 -0.846 0.000 1.888 88 C HN 0.789 nan 8.230 nan 0.000 0.519 89 I N 0.036 120.510 120.570 -0.161 0.000 2.235 89 I HA -0.114 4.056 4.170 0.000 0.000 0.241 89 I C 2.418 178.519 176.117 -0.028 0.000 1.085 89 I CA 1.437 62.710 61.300 -0.046 0.000 1.378 89 I CB -0.178 37.806 38.000 -0.027 0.000 1.076 89 I HN 0.130 nan 8.210 nan 0.000 0.415 90 S N 0.405 116.084 115.700 -0.035 0.000 2.383 90 S HA -0.278 4.192 4.470 0.000 0.000 0.229 90 S C 1.423 176.002 174.600 -0.034 0.000 1.030 90 S CA 1.912 60.092 58.200 -0.033 0.000 1.002 90 S CB -0.635 62.558 63.200 -0.011 0.000 0.829 90 S HN 0.736 nan 8.310 nan 0.000 0.467 91 W N 1.779 122.950 121.300 -0.215 0.000 2.354 91 W HA -0.150 4.510 4.660 0.000 0.000 0.315 91 W C 2.251 178.607 176.519 -0.272 0.000 1.206 91 W CA 1.275 58.480 57.345 -0.232 0.000 1.290 91 W CB -0.789 28.512 29.460 -0.265 0.000 1.152 91 W HN 0.062 nan 8.180 nan 0.000 0.489 92 V N 1.310 121.260 119.914 0.060 0.000 2.392 92 V HA -0.313 3.807 4.120 0.000 0.000 0.249 92 V C 2.449 178.290 176.094 -0.422 0.000 1.059 92 V CA 3.091 65.268 62.300 -0.204 0.000 1.051 92 V CB -1.024 30.875 31.823 0.125 0.000 0.658 92 V HN 0.449 nan 8.190 nan 0.000 0.455 93 S N 0.019 115.551 115.700 -0.280 0.000 2.336 93 S HA 0.012 4.482 4.470 0.000 0.000 0.216 93 S C 2.234 176.618 174.600 -0.360 0.000 1.032 93 S CA 1.169 59.212 58.200 -0.261 0.000 0.973 93 S CB -1.329 61.774 63.200 -0.161 0.000 0.888 93 S HN 0.695 nan 8.310 nan 0.000 0.455 94 G N 2.031 110.622 108.800 -0.348 0.000 2.545 94 G HA2 -0.292 3.668 3.960 0.000 0.000 0.222 94 G HA3 -0.292 3.668 3.960 0.000 0.000 0.222 94 G C 1.571 176.182 174.900 -0.481 0.000 1.126 94 G CA 1.504 46.396 45.100 -0.348 0.000 0.754 94 G HN 0.502 nan 8.290 nan 0.000 0.583 95 K N -0.356 119.555 120.400 -0.816 0.000 2.044 95 K HA 0.164 4.484 4.320 0.000 0.000 0.204 95 K C 2.511 178.635 176.600 -0.794 0.000 1.049 95 K CA 0.592 56.252 56.287 -1.047 0.000 0.945 95 K CB -1.007 30.239 32.500 -2.091 0.000 0.724 95 K HN 0.133 nan 8.250 nan 0.000 0.440 96 V N 0.489 119.961 119.914 -0.738 0.000 2.490 96 V HA -0.179 3.941 4.120 0.000 0.000 0.250 96 V C 1.945 177.942 176.094 -0.162 0.000 1.061 96 V CA 1.851 63.997 62.300 -0.256 0.000 1.064 96 V CB -0.083 31.658 31.823 -0.137 0.000 0.670 96 V HN 0.186 nan 8.190 nan 0.000 0.461 97 V N -0.216 119.569 119.914 -0.214 0.000 2.239 97 V HA -0.221 3.899 4.120 0.000 0.000 0.242 97 V C 2.394 178.414 176.094 -0.123 0.000 1.038 97 V CA 2.669 64.878 62.300 -0.151 0.000 1.002 97 V CB -0.225 31.500 31.823 -0.163 0.000 0.641 97 V HN 0.549 nan 8.190 nan 0.000 0.449 98 M N 0.257 119.762 119.600 -0.157 0.000 2.267 98 M HA -0.105 4.375 4.480 0.000 0.000 0.263 98 M C 2.224 178.475 176.300 -0.081 0.000 1.063 98 M CA 2.290 57.518 55.300 -0.121 0.000 1.090 98 M CB -1.149 31.364 32.600 -0.146 0.000 1.392 98 M HN 0.512 nan 8.290 nan 0.000 0.422 99 T N -1.144 113.366 114.554 -0.074 0.000 3.023 99 T HA -0.057 4.293 4.350 0.000 0.000 0.266 99 T C 1.622 176.336 174.700 0.024 0.000 1.093 99 T CA 0.932 63.035 62.100 0.005 0.000 1.129 99 T CB -0.005 68.926 68.868 0.105 0.000 0.899 99 T HN 0.271 nan 8.240 nan 0.000 0.491 100 M N 2.257 121.861 119.600 0.006 0.000 2.062 100 M HA 0.032 4.512 4.480 0.000 0.000 0.259 100 M C 2.298 178.627 176.300 0.047 0.000 1.076 100 M CA 1.737 57.055 55.300 0.031 0.000 1.122 100 M CB -0.421 32.183 32.600 0.007 0.000 1.312 100 M HN 0.211 nan 8.290 nan 0.000 0.412 101 R N -0.245 120.272 120.500 0.027 0.000 2.159 101 R HA -0.203 4.137 4.340 0.000 0.000 0.237 101 R C 2.305 178.658 176.300 0.088 0.000 1.131 101 R CA 1.818 57.952 56.100 0.057 0.000 0.982 101 R CB -1.092 29.221 30.300 0.022 0.000 0.868 101 R HN 0.486 nan 8.270 nan 0.000 0.453 102 R N 1.286 121.814 120.500 0.046 0.000 2.070 102 R HA -0.105 4.235 4.340 0.000 0.000 0.233 102 R C 2.488 178.873 176.300 0.143 0.000 1.137 102 R CA 1.644 57.773 56.100 0.049 0.000 0.945 102 R CB -0.236 30.068 30.300 0.007 0.000 0.845 102 R HN 0.240 nan 8.270 nan 0.000 0.430 103 R N 0.322 120.889 120.500 0.112 0.000 2.105 103 R HA -0.102 4.238 4.340 0.000 0.000 0.239 103 R C 2.252 178.656 176.300 0.174 0.000 1.135 103 R CA 1.495 57.667 56.100 0.121 0.000 0.967 103 R CB -0.188 30.155 30.300 0.071 0.000 0.861 103 R HN 0.285 nan 8.270 nan 0.000 0.442 104 L N -0.598 120.736 121.223 0.186 0.000 1.988 104 L HA -0.148 4.192 4.340 0.000 0.000 0.207 104 L C 2.213 179.243 176.870 0.267 0.000 1.071 104 L CA 1.263 56.237 54.840 0.225 0.000 0.744 104 L CB -0.788 41.383 42.059 0.188 0.000 0.893 104 L HN 0.177 nan 8.230 nan 0.000 0.433 105 F N 1.306 121.321 119.950 0.107 0.000 2.050 105 F HA -0.344 4.184 4.527 0.000 0.000 0.294 105 F C 2.244 178.110 175.800 0.110 0.000 1.113 105 F CA 2.145 60.204 58.000 0.098 0.000 1.225 105 F CB -0.943 38.096 39.000 0.064 0.000 0.953 105 F HN 0.051 nan 8.300 nan 0.000 0.501 106 G N -1.604 107.388 108.800 0.321 0.000 2.491 106 G HA2 -0.413 3.547 3.960 0.000 0.000 0.218 106 G HA3 -0.413 3.547 3.960 0.000 0.000 0.218 106 G C 1.439 176.386 174.900 0.078 0.000 1.180 106 G CA 1.308 46.502 45.100 0.155 0.000 0.774 106 G HN 0.648 nan 8.290 nan 0.000 0.562 107 H N 0.219 119.321 119.070 0.053 0.000 2.352 107 H HA -0.032 4.524 4.556 0.000 0.000 0.299 107 H C 2.622 177.970 175.328 0.035 0.000 1.097 107 H CA 1.912 57.977 56.048 0.028 0.000 1.311 107 H CB -0.184 29.595 29.762 0.028 0.000 1.377 107 H HN 0.187 nan 8.280 nan 0.000 0.504 108 M N 0.157 119.717 119.600 -0.066 0.000 2.110 108 M HA -0.238 4.242 4.480 0.000 0.000 0.257 108 M C 2.501 178.867 176.300 0.109 0.000 1.071 108 M CA 2.291 57.578 55.300 -0.022 0.000 1.096 108 M CB -0.868 31.765 32.600 0.055 0.000 1.300 108 M HN 0.647 nan 8.290 nan 0.000 0.411 109 M N -1.251 118.355 119.600 0.010 0.000 2.630 109 M HA 0.117 4.597 4.480 0.000 0.000 0.254 109 M C 1.395 177.707 176.300 0.020 0.000 1.092 109 M CA 1.534 56.854 55.300 0.033 0.000 1.087 109 M CB -0.798 31.701 32.600 -0.168 0.000 1.453 109 M HN 0.146 nan 8.290 nan 0.000 0.509 110 G N 1.045 109.817 108.800 -0.046 0.000 3.181 110 G HA2 0.198 4.158 3.960 0.000 0.000 0.219 110 G HA3 0.198 4.158 3.960 0.000 0.000 0.219 110 G C 0.638 175.476 174.900 -0.104 0.000 1.182 110 G CA -0.287 44.779 45.100 -0.057 0.000 0.791 110 G HN 0.380 nan 8.290 nan 0.000 0.537 111 M N 1.285 120.861 119.600 -0.040 0.000 3.462 111 M HA 0.255 4.735 4.480 0.000 0.000 0.219 111 M C -2.643 173.765 176.300 0.180 0.000 1.207 111 M CA -2.192 53.068 55.300 -0.068 0.000 1.284 111 M CB 0.160 32.651 32.600 -0.181 0.000 1.160 111 M HN -0.149 nan 8.290 nan 0.000 0.598 112 P HA 0.028 nan 4.420 nan 0.000 0.270 112 P C 0.680 178.051 177.300 0.120 0.000 1.216 112 P CA 0.328 63.499 63.100 0.118 0.000 0.788 112 P CB 0.844 32.565 31.700 0.035 0.000 0.883 113 V N 0.243 120.197 119.914 0.067 0.000 3.464 113 V HA -0.261 3.859 4.120 0.000 0.000 0.494 113 V C 1.405 177.534 176.094 0.057 0.000 0.698 113 V CA 0.677 62.919 62.300 -0.098 0.000 2.220 113 V CB -1.527 30.250 31.823 -0.075 0.000 2.347 113 V HN 0.728 nan 8.190 nan 0.000 0.485 114 A N 0.048 122.893 122.820 0.042 0.000 2.285 114 A HA -0.102 4.218 4.320 0.000 0.000 0.214 114 A C 1.405 179.130 177.584 0.235 0.000 1.188 114 A CA 2.293 54.462 52.037 0.220 0.000 0.707 114 A CB -0.807 18.395 19.000 0.336 0.000 0.771 114 A HN 1.352 nan 8.150 nan 0.000 0.488 115 F N -0.382 119.590 119.950 0.037 0.000 2.026 115 F HA -0.249 4.278 4.527 0.000 0.000 0.296 115 F C 1.822 177.533 175.800 -0.148 0.000 1.133 115 F CA 1.956 59.891 58.000 -0.109 0.000 1.188 115 F CB -0.223 38.622 39.000 -0.258 0.000 0.968 115 F HN 0.304 nan 8.300 nan 0.000 0.476 116 F N 1.064 120.988 119.950 -0.043 0.000 2.373 116 F HA -0.207 4.320 4.527 0.000 0.000 0.300 116 F C 1.766 177.503 175.800 -0.106 0.000 1.080 116 F CA 1.317 59.223 58.000 -0.157 0.000 1.417 116 F CB -0.745 38.214 39.000 -0.068 0.000 1.070 116 F HN 0.087 nan 8.300 nan 0.000 0.546 117 D N -0.099 120.373 120.400 0.119 0.000 2.091 117 D HA -0.110 4.530 4.640 0.000 0.000 0.199 117 D C 2.191 178.500 176.300 0.016 0.000 0.980 117 D CA 0.944 54.995 54.000 0.086 0.000 0.831 117 D CB -0.130 40.760 40.800 0.150 0.000 0.987 117 D HN -0.075 nan 8.370 nan 0.000 0.460 118 K N 0.954 121.352 120.400 -0.004 0.000 1.965 118 K HA -0.075 4.246 4.320 0.000 0.000 0.220 118 K C 1.232 177.781 176.600 -0.086 0.000 1.046 118 K CA 0.979 57.247 56.287 -0.032 0.000 0.974 118 K CB -1.063 31.430 32.500 -0.012 0.000 0.738 118 K HN 0.358 nan 8.250 nan 0.000 0.444 119 Q N 1.472 121.165 119.800 -0.178 0.000 2.306 119 Q HA 0.120 4.460 4.340 0.000 0.000 0.241 119 Q C -0.166 175.739 176.000 -0.159 0.000 0.948 119 Q CA -0.059 55.640 55.803 -0.173 0.000 0.886 119 Q CB 1.113 29.720 28.738 -0.219 0.000 1.227 119 Q HN 0.081 nan 8.270 nan 0.000 0.457 120 S N 1.031 116.669 115.700 -0.102 0.000 2.552 120 S HA -0.035 4.435 4.470 0.000 0.000 0.289 120 S C 1.395 175.948 174.600 -0.078 0.000 1.304 120 S CA 0.392 58.550 58.200 -0.069 0.000 1.063 120 S CB 0.231 63.404 63.200 -0.044 0.000 0.848 120 S HN 0.759 nan 8.310 nan 0.000 0.499 121 T N 3.133 117.662 114.554 -0.041 0.000 2.803 121 T HA -0.084 4.266 4.350 0.000 0.000 0.269 121 T C 2.003 176.695 174.700 -0.012 0.000 1.052 121 T CA 1.517 63.609 62.100 -0.013 0.000 1.136 121 T CB -1.147 67.737 68.868 0.027 0.000 0.864 121 T HN 0.759 nan 8.240 nan 0.000 0.467 122 G N 1.872 110.665 108.800 -0.012 0.000 2.476 122 G HA2 -0.291 3.669 3.960 0.000 0.000 0.218 122 G HA3 -0.291 3.669 3.960 0.000 0.000 0.218 122 G C 1.925 176.819 174.900 -0.010 0.000 1.164 122 G CA 2.082 47.181 45.100 -0.001 0.000 0.768 122 G HN 0.735 nan 8.290 nan 0.000 0.560 123 T N 0.032 114.564 114.554 -0.036 0.000 2.720 123 T HA -0.050 4.300 4.350 0.000 0.000 0.268 123 T C 2.434 177.116 174.700 -0.030 0.000 1.037 123 T CA 1.385 63.459 62.100 -0.042 0.000 1.144 123 T CB -0.363 68.465 68.868 -0.067 0.000 0.864 123 T HN 0.218 nan 8.240 nan 0.000 0.444 124 L N 0.056 121.248 121.223 -0.051 0.000 1.994 124 L HA 0.042 4.382 4.340 0.000 0.000 0.208 124 L C 2.742 179.633 176.870 0.036 0.000 1.071 124 L CA 1.131 55.955 54.840 -0.027 0.000 0.745 124 L CB -0.912 41.104 42.059 -0.070 0.000 0.892 124 L HN 0.224 nan 8.230 nan 0.000 0.431 125 L N -0.094 121.154 121.223 0.043 0.000 1.997 125 L HA -0.312 4.028 4.340 0.000 0.000 0.216 125 L C 2.853 179.767 176.870 0.073 0.000 1.074 125 L CA 2.213 57.095 54.840 0.069 0.000 0.763 125 L CB -0.728 41.365 42.059 0.057 0.000 0.890 125 L HN 0.271 nan 8.230 nan 0.000 0.434 126 S N -1.223 114.510 115.700 0.055 0.000 2.359 126 S HA -0.306 4.164 4.470 0.000 0.000 0.222 126 S C 2.155 176.813 174.600 0.097 0.000 1.038 126 S CA 1.637 59.877 58.200 0.067 0.000 1.051 126 S CB -0.309 62.904 63.200 0.021 0.000 0.944 126 S HN 0.449 nan 8.310 nan 0.000 0.433 127 R N 0.968 121.514 120.500 0.077 0.000 2.159 127 R HA -0.113 4.227 4.340 0.000 0.000 0.249 127 R C 2.129 178.492 176.300 0.105 0.000 1.136 127 R CA 2.152 58.308 56.100 0.092 0.000 0.951 127 R CB -1.217 29.131 30.300 0.080 0.000 0.876 127 R HN 0.585 nan 8.270 nan 0.000 0.440 128 I N -0.356 120.278 120.570 0.107 0.000 2.039 128 I HA -0.389 3.781 4.170 0.000 0.000 0.233 128 I C 2.316 178.482 176.117 0.080 0.000 1.040 128 I CA 2.201 63.565 61.300 0.106 0.000 1.308 128 I CB -0.967 37.113 38.000 0.133 0.000 1.035 128 I HN 0.425 nan 8.210 nan 0.000 0.392 129 T N -0.476 114.129 114.554 0.085 0.000 2.469 129 T HA -0.374 3.976 4.350 0.000 0.000 0.254 129 T C 1.817 176.557 174.700 0.066 0.000 1.214 129 T CA 2.131 64.272 62.100 0.070 0.000 1.202 129 T CB -1.270 67.652 68.868 0.090 0.000 0.864 129 T HN 0.367 nan 8.240 nan 0.000 0.408 130 Y N 2.717 123.018 120.300 0.003 0.000 2.133 130 Y HA -0.072 4.478 4.550 0.000 0.000 0.287 130 Y C 2.313 178.204 175.900 -0.015 0.000 1.134 130 Y CA 2.002 60.098 58.100 -0.007 0.000 1.133 130 Y CB -0.669 37.789 38.460 -0.004 0.000 0.987 130 Y HN 0.253 nan 8.280 nan 0.000 0.502 131 D N -0.767 119.768 120.400 0.225 0.000 2.123 131 D HA -0.172 4.468 4.640 0.000 0.000 0.196 131 D C 2.355 178.649 176.300 -0.010 0.000 0.992 131 D CA 1.745 55.820 54.000 0.125 0.000 0.833 131 D CB -0.456 40.412 40.800 0.114 0.000 0.954 131 D HN 0.288 nan 8.370 nan 0.000 0.455 132 S N 0.580 116.271 115.700 -0.015 0.000 2.356 132 S HA -0.145 4.325 4.470 0.000 0.000 0.223 132 S C 1.758 176.290 174.600 -0.113 0.000 1.032 132 S CA 0.841 59.011 58.200 -0.051 0.000 1.005 132 S CB -0.167 63.017 63.200 -0.027 0.000 0.867 132 S HN 0.222 nan 8.310 nan 0.000 0.449 133 E N 1.261 121.369 120.200 -0.153 0.000 2.114 133 E HA -0.187 4.163 4.350 0.000 0.000 0.199 133 E C 2.298 178.763 176.600 -0.225 0.000 1.008 133 E CA 1.126 57.402 56.400 -0.207 0.000 0.810 133 E CB -0.363 29.168 29.700 -0.282 0.000 0.739 133 E HN 0.488 nan 8.360 nan 0.000 0.456 134 Q N 0.316 119.962 119.800 -0.257 0.000 1.948 134 Q HA -0.118 4.222 4.340 0.000 0.000 0.205 134 Q C 2.412 178.307 176.000 -0.175 0.000 0.992 134 Q CA 1.040 56.718 55.803 -0.210 0.000 0.849 134 Q CB -1.203 27.446 28.738 -0.149 0.000 0.918 134 Q HN 0.241 nan 8.270 nan 0.000 0.421 135 V N 1.326 121.140 119.914 -0.167 0.000 2.660 135 V HA -0.292 3.828 4.120 0.000 0.000 0.257 135 V C 2.070 178.055 176.094 -0.182 0.000 1.088 135 V CA 1.870 64.053 62.300 -0.194 0.000 1.106 135 V CB -0.792 30.915 31.823 -0.194 0.000 0.686 135 V HN 0.404 nan 8.190 nan 0.000 0.481 136 A N -0.705 122.019 122.820 -0.161 0.000 1.828 136 A HA -0.222 4.098 4.320 0.000 0.000 0.215 136 A C 2.563 180.062 177.584 -0.141 0.000 1.203 136 A CA 2.309 54.255 52.037 -0.152 0.000 0.614 136 A CB -1.379 17.529 19.000 -0.154 0.000 0.844 136 A HN 0.618 nan 8.150 nan 0.000 0.445 137 S N -0.454 115.165 115.700 -0.136 0.000 2.380 137 S HA -0.224 4.246 4.470 0.000 0.000 0.229 137 S C 2.336 176.874 174.600 -0.104 0.000 1.043 137 S CA 2.316 60.451 58.200 -0.109 0.000 1.038 137 S CB -0.648 62.489 63.200 -0.105 0.000 0.872 137 S HN 0.761 nan 8.310 nan 0.000 0.456 138 S N 0.447 116.053 115.700 -0.157 0.000 2.365 138 S HA -0.166 4.304 4.470 0.000 0.000 0.221 138 S C 2.131 176.630 174.600 -0.168 0.000 1.037 138 S CA 2.336 60.400 58.200 -0.228 0.000 1.060 138 S CB -1.345 61.602 63.200 -0.421 0.000 0.974 138 S HN 0.708 nan 8.310 nan 0.000 0.427 139 S N 0.950 116.555 115.700 -0.158 0.000 2.369 139 S HA -0.193 4.277 4.470 0.000 0.000 0.225 139 S C 2.144 176.751 174.600 0.011 0.000 1.043 139 S CA 2.652 60.819 58.200 -0.055 0.000 1.074 139 S CB -1.264 61.906 63.200 -0.050 0.000 0.962 139 S HN 0.895 nan 8.310 nan 0.000 0.433 140 S N 0.901 116.589 115.700 -0.020 0.000 2.436 140 S HA 0.088 4.558 4.470 0.000 0.000 0.208 140 S C 2.201 176.816 174.600 0.025 0.000 1.063 140 S CA 1.238 59.438 58.200 0.000 0.000 1.120 140 S CB -1.794 61.385 63.200 -0.035 0.000 1.053 140 S HN 0.701 nan 8.310 nan 0.000 0.407 141 G N 1.316 110.121 108.800 0.009 0.000 2.475 141 G HA2 0.002 3.962 3.960 0.000 0.000 0.220 141 G HA3 0.002 3.962 3.960 0.000 0.000 0.220 141 G C 1.599 176.531 174.900 0.054 0.000 1.125 141 G CA 1.232 46.345 45.100 0.022 0.000 0.755 141 G HN 0.903 nan 8.290 nan 0.000 0.565 142 A N 0.289 123.165 122.820 0.094 0.000 1.898 142 A HA 0.270 4.590 4.320 0.000 0.000 0.214 142 A C 2.396 180.099 177.584 0.198 0.000 1.183 142 A CA 0.851 53.003 52.037 0.191 0.000 0.622 142 A CB -0.315 18.918 19.000 0.388 0.000 0.824 142 A HN 0.319 nan 8.150 nan 0.000 0.444 143 L N 0.322 121.666 121.223 0.203 0.000 2.079 143 L HA -0.209 4.131 4.340 0.000 0.000 0.210 143 L C 2.642 179.566 176.870 0.090 0.000 1.081 143 L CA 1.705 56.646 54.840 0.167 0.000 0.752 143 L CB -0.703 41.460 42.059 0.172 0.000 0.896 143 L HN 0.693 nan 8.230 nan 0.000 0.433 144 I N -2.076 118.539 120.570 0.075 0.000 2.179 144 I HA -0.245 3.925 4.170 0.000 0.000 0.242 144 I C 2.557 178.693 176.117 0.032 0.000 1.088 144 I CA 2.016 63.345 61.300 0.048 0.000 1.357 144 I CB -0.951 37.072 38.000 0.039 0.000 1.051 144 I HN 0.247 nan 8.210 nan 0.000 0.409 145 T N -1.386 113.186 114.554 0.030 0.000 3.014 145 T HA 0.035 4.385 4.350 0.000 0.000 0.263 145 T C 1.921 176.616 174.700 -0.009 0.000 1.078 145 T CA 0.886 62.993 62.100 0.011 0.000 1.135 145 T CB -0.455 68.420 68.868 0.011 0.000 0.895 145 T HN 0.259 nan 8.240 nan 0.000 0.480 146 V N 1.064 120.967 119.914 -0.019 0.000 2.970 146 V HA 0.021 4.141 4.120 0.000 0.000 0.260 146 V C 2.198 178.258 176.094 -0.057 0.000 1.100 146 V CA 1.136 63.389 62.300 -0.078 0.000 1.122 146 V CB -0.240 31.480 31.823 -0.171 0.000 0.721 146 V HN 0.501 nan 8.190 nan 0.000 0.483 147 V N -0.329 119.572 119.914 -0.021 0.000 3.431 147 V HA 0.085 4.205 4.120 0.000 0.000 0.253 147 V C 2.286 178.376 176.094 -0.008 0.000 1.184 147 V CA 1.388 63.680 62.300 -0.013 0.000 1.104 147 V CB -0.253 31.573 31.823 0.005 0.000 0.799 147 V HN 0.500 nan 8.190 nan 0.000 0.462 148 R N 0.674 121.171 120.500 -0.004 0.000 2.052 148 R HA -0.066 4.274 4.340 0.000 0.000 0.224 148 R C 2.125 178.419 176.300 -0.009 0.000 1.165 148 R CA 1.318 57.416 56.100 -0.003 0.000 0.939 148 R CB -0.066 30.235 30.300 0.003 0.000 0.834 148 R HN 0.311 nan 8.270 nan 0.000 0.435 149 E N -0.101 120.093 120.200 -0.011 0.000 2.347 149 E HA -0.049 4.301 4.350 0.000 0.000 0.196 149 E C 1.684 178.278 176.600 -0.010 0.000 1.008 149 E CA 0.961 57.354 56.400 -0.011 0.000 0.852 149 E CB -0.038 29.654 29.700 -0.013 0.000 0.783 149 E HN 0.619 nan 8.360 nan 0.000 0.505 150 G N 1.149 109.940 108.800 -0.016 0.000 2.394 150 G HA2 -0.140 3.820 3.960 0.000 0.000 0.215 150 G HA3 -0.140 3.820 3.960 0.000 0.000 0.215 150 G C 1.656 176.560 174.900 0.006 0.000 1.165 150 G CA 0.788 45.882 45.100 -0.010 0.000 0.784 150 G HN 0.377 nan 8.290 nan 0.000 0.535 151 A N 0.321 123.135 122.820 -0.011 0.000 2.067 151 A HA 0.183 4.503 4.320 0.000 0.000 0.217 151 A C 2.500 180.055 177.584 -0.047 0.000 1.156 151 A CA 1.855 53.876 52.037 -0.027 0.000 0.683 151 A CB -0.435 18.548 19.000 -0.028 0.000 0.808 151 A HN 0.386 nan 8.150 nan 0.000 0.455 152 S N -0.368 115.314 115.700 -0.031 0.000 2.368 152 S HA -0.110 4.360 4.470 0.000 0.000 0.224 152 S C 1.756 176.335 174.600 -0.036 0.000 1.029 152 S CA 1.447 59.624 58.200 -0.038 0.000 0.988 152 S CB -0.374 62.812 63.200 -0.023 0.000 0.838 152 S HN 0.355 nan 8.310 nan 0.000 0.462 153 I N 1.669 122.244 120.570 0.008 0.000 2.394 153 I HA -0.008 4.162 4.170 0.000 0.000 0.251 153 I C 1.949 178.130 176.117 0.107 0.000 1.136 153 I CA 0.873 62.222 61.300 0.082 0.000 1.425 153 I CB -0.384 37.688 38.000 0.121 0.000 1.079 153 I HN 0.357 nan 8.210 nan 0.000 0.425 154 I N -0.196 120.354 120.570 -0.034 0.000 2.315 154 I HA -0.190 3.980 4.170 0.000 0.000 0.248 154 I C 2.523 178.149 176.117 -0.818 0.000 1.117 154 I CA 1.459 62.486 61.300 -0.455 0.000 1.404 154 I CB -0.931 36.962 38.000 -0.178 0.000 1.071 154 I HN 0.278 nan 8.210 nan 0.000 0.419 155 G N 0.946 109.521 108.800 -0.375 0.000 2.394 155 G HA2 -0.105 3.855 3.960 0.000 0.000 0.215 155 G HA3 -0.105 3.855 3.960 0.000 0.000 0.215 155 G C 1.602 176.345 174.900 -0.261 0.000 1.165 155 G CA 0.131 45.052 45.100 -0.299 0.000 0.784 155 G HN 0.134 nan 8.290 nan 0.000 0.535 156 L N 0.629 121.747 121.223 -0.174 0.000 2.141 156 L HA 0.048 4.388 4.340 0.000 0.000 0.209 156 L C 2.662 179.531 176.870 -0.001 0.000 1.094 156 L CA 1.308 56.096 54.840 -0.086 0.000 0.763 156 L CB -1.069 40.970 42.059 -0.034 0.000 0.908 156 L HN 0.484 nan 8.230 nan 0.000 0.437 157 F N -0.694 119.270 119.950 0.022 0.000 2.335 157 F HA 0.020 4.547 4.527 0.000 0.000 0.296 157 F C 2.187 178.095 175.800 0.180 0.000 1.091 157 F CA 0.520 58.563 58.000 0.072 0.000 1.399 157 F CB -0.946 38.095 39.000 0.068 0.000 1.067 157 F HN -0.090 nan 8.300 nan 0.000 0.520 158 I N -0.095 120.378 120.570 -0.161 0.000 2.928 158 I HA -0.094 4.076 4.170 0.000 0.000 0.266 158 I C 2.211 178.346 176.117 0.030 0.000 1.234 158 I CA 0.643 61.977 61.300 0.057 0.000 1.483 158 I CB -0.033 37.823 38.000 -0.239 0.000 1.097 158 I HN 0.391 nan 8.210 nan 0.000 0.455 159 M N 0.136 119.680 119.600 -0.094 0.000 2.115 159 M HA -0.143 4.337 4.480 0.000 0.000 0.261 159 M C 1.987 178.199 176.300 -0.147 0.000 1.079 159 M CA 1.550 56.714 55.300 -0.228 0.000 1.143 159 M CB 0.044 32.504 32.600 -0.234 0.000 1.332 159 M HN 0.095 nan 8.290 nan 0.000 0.421 160 M N -0.024 119.582 119.600 0.009 0.000 2.446 160 M HA -0.126 4.354 4.480 0.000 0.000 0.263 160 M C 1.870 178.273 176.300 0.173 0.000 1.066 160 M CA 1.157 56.526 55.300 0.115 0.000 1.087 160 M CB -1.556 31.097 32.600 0.088 0.000 1.406 160 M HN 0.317 nan 8.290 nan 0.000 0.459 161 F N 1.857 121.836 119.950 0.049 0.000 2.048 161 F HA -0.351 4.176 4.527 0.000 0.000 0.300 161 F C 2.521 178.451 175.800 0.218 0.000 1.221 161 F CA 2.625 60.723 58.000 0.163 0.000 1.214 161 F CB -1.047 38.119 39.000 0.277 0.000 0.941 161 F HN 0.251 nan 8.300 nan 0.000 0.531 162 Y N -2.381 118.330 120.300 0.686 0.000 2.365 162 Y HA -0.038 4.512 4.550 0.000 0.000 0.293 162 Y C 2.160 178.274 175.900 0.357 0.000 1.119 162 Y CA 0.527 58.910 58.100 0.473 0.000 1.203 162 Y CB -2.191 36.468 38.460 0.332 0.000 1.026 162 Y HN 0.327 nan 8.280 nan 0.000 0.549 163 Y N 1.752 121.948 120.300 -0.174 0.000 2.446 163 Y HA -0.102 4.448 4.550 0.000 0.000 0.287 163 Y C 0.832 176.787 175.900 0.092 0.000 1.159 163 Y CA 1.139 59.199 58.100 -0.067 0.000 1.297 163 Y CB 0.104 38.436 38.460 -0.212 0.000 0.974 163 Y HN 0.204 nan 8.280 nan 0.000 0.557 164 S N -0.691 115.115 115.700 0.176 0.000 2.751 164 S HA 0.025 4.495 4.470 0.000 0.000 0.148 164 S C 0.094 174.796 174.600 0.170 0.000 1.057 164 S CA -0.278 58.002 58.200 0.133 0.000 1.103 164 S CB -1.442 61.804 63.200 0.076 0.000 1.709 164 S HN 0.574 nan 8.310 nan 0.000 0.484 165 W N 2.876 124.201 121.300 0.042 0.000 2.336 165 W HA -0.201 4.459 4.660 0.000 0.000 0.277 165 W C 1.272 177.784 176.519 -0.012 0.000 1.211 165 W CA 1.745 59.102 57.345 0.020 0.000 1.187 165 W CB -0.048 29.441 29.460 0.049 0.000 1.132 165 W HN 0.470 nan 8.180 nan 0.000 0.562 166 Q N 0.679 119.856 119.800 -1.039 0.000 2.049 166 Q HA -0.103 4.238 4.340 0.000 0.000 0.198 166 Q C 2.268 177.986 176.000 -0.469 0.000 0.971 166 Q CA 1.345 56.513 55.803 -1.060 0.000 0.833 166 Q CB -0.744 27.415 28.738 -0.964 0.000 0.896 166 Q HN 0.398 nan 8.270 nan 0.000 0.434 167 L N 0.200 121.259 121.223 -0.274 0.000 2.395 167 L HA 0.025 4.365 4.340 0.000 0.000 0.218 167 L C 2.153 178.915 176.870 -0.180 0.000 1.130 167 L CA 0.869 55.608 54.840 -0.168 0.000 0.826 167 L CB -1.139 40.896 42.059 -0.040 0.000 0.941 167 L HN 0.145 nan 8.230 nan 0.000 0.451 168 S N -0.178 115.424 115.700 -0.163 0.000 2.522 168 S HA 0.040 4.510 4.470 0.000 0.000 0.227 168 S C 1.658 176.128 174.600 -0.217 0.000 0.986 168 S CA 0.197 58.305 58.200 -0.153 0.000 0.929 168 S CB -0.058 63.066 63.200 -0.127 0.000 0.769 168 S HN 0.400 nan 8.310 nan 0.000 0.529 169 I N 1.059 121.473 120.570 -0.260 0.000 3.735 169 I HA 0.079 4.249 4.170 0.000 0.000 0.310 169 I C 0.718 176.648 176.117 -0.312 0.000 1.270 169 I CA 0.031 61.182 61.300 -0.249 0.000 1.207 169 I CB 0.090 37.944 38.000 -0.244 0.000 1.013 169 I HN 0.315 nan 8.210 nan 0.000 0.452 170 I N -0.315 120.035 120.570 -0.368 0.000 3.445 170 I HA -0.004 4.166 4.170 0.000 0.000 0.288 170 I C 1.997 177.937 176.117 -0.296 0.000 1.198 170 I CA 0.821 61.818 61.300 -0.505 0.000 1.417 170 I CB -0.663 36.943 38.000 -0.657 0.000 1.205 170 I HN 0.160 nan 8.210 nan 0.000 0.448 171 L N 0.741 121.837 121.223 -0.213 0.000 2.141 171 L HA -0.056 4.284 4.340 0.000 0.000 0.209 171 L C 1.446 178.226 176.870 -0.150 0.000 1.094 171 L CA 1.110 55.864 54.840 -0.144 0.000 0.763 171 L CB 0.136 42.138 42.059 -0.096 0.000 0.908 171 L HN -0.039 nan 8.230 nan 0.000 0.437 172 V N -0.318 119.493 119.914 -0.171 0.000 3.544 172 V HA -0.012 4.108 4.120 0.000 0.000 0.304 172 V C 1.339 177.356 176.094 -0.128 0.000 1.256 172 V CA 0.343 62.553 62.300 -0.150 0.000 1.232 172 V CB 0.260 31.989 31.823 -0.155 0.000 1.065 172 V HN 0.327 nan 8.190 nan 0.000 0.423 173 V N -1.260 118.573 119.914 -0.136 0.000 3.368 173 V HA 0.229 4.349 4.120 0.000 0.000 0.255 173 V C 1.369 177.410 176.094 -0.088 0.000 1.466 173 V CA 0.438 62.672 62.300 -0.110 0.000 1.095 173 V CB 1.156 32.898 31.823 -0.134 0.000 0.899 173 V HN 0.441 nan 8.190 nan 0.000 0.440 174 L N 0.074 121.238 121.223 -0.098 0.000 2.575 174 L HA 0.447 4.787 4.340 0.000 0.000 0.228 174 L C 2.372 179.204 176.870 -0.063 0.000 1.075 174 L CA 1.452 56.251 54.840 -0.068 0.000 0.867 174 L CB -0.465 41.556 42.059 -0.063 0.000 1.097 174 L HN 0.203 nan 8.230 nan 0.000 0.485 175 A N 1.240 124.012 122.820 -0.081 0.000 1.902 175 A HA -0.066 4.254 4.320 0.000 0.000 0.217 175 A C -0.194 177.346 177.584 -0.074 0.000 1.181 175 A CA 1.890 53.877 52.037 -0.083 0.000 0.623 175 A CB -1.695 17.233 19.000 -0.120 0.000 0.818 175 A HN 0.338 nan 8.150 nan 0.000 0.443 176 P HA -0.014 nan 4.420 nan 0.000 0.225 176 P C 1.382 178.658 177.300 -0.040 0.000 1.156 176 P CA 0.740 63.806 63.100 -0.057 0.000 0.787 176 P CB -0.037 31.629 31.700 -0.056 0.000 0.802 177 I N -0.552 119.995 120.570 -0.039 0.000 2.480 177 I HA -0.105 4.065 4.170 0.000 0.000 0.251 177 I C 2.589 178.693 176.117 -0.021 0.000 1.124 177 I CA 0.707 61.991 61.300 -0.027 0.000 1.444 177 I CB -0.454 37.531 38.000 -0.025 0.000 1.098 177 I HN -0.170 nan 8.210 nan 0.000 0.428 178 V N -0.499 119.401 119.914 -0.024 0.000 2.548 178 V HA -0.220 3.900 4.120 0.000 0.000 0.249 178 V C 2.528 178.614 176.094 -0.014 0.000 1.055 178 V CA 2.246 64.536 62.300 -0.015 0.000 1.065 178 V CB 0.208 32.021 31.823 -0.016 0.000 0.681 178 V HN 0.453 nan 8.190 nan 0.000 0.462 179 S N -0.434 115.252 115.700 -0.024 0.000 2.383 179 S HA -0.093 4.377 4.470 0.000 0.000 0.227 179 S C 1.867 176.461 174.600 -0.010 0.000 1.026 179 S CA 1.590 59.776 58.200 -0.023 0.000 0.981 179 S CB -0.239 62.938 63.200 -0.039 0.000 0.818 179 S HN 0.527 nan 8.310 nan 0.000 0.472 180 I N 1.837 122.400 120.570 -0.011 0.000 2.333 180 I HA 0.059 4.229 4.170 0.000 0.000 0.246 180 I C 2.815 178.931 176.117 -0.001 0.000 1.106 180 I CA 1.132 62.429 61.300 -0.004 0.000 1.411 180 I CB -1.828 36.167 38.000 -0.008 0.000 1.082 180 I HN 0.359 nan 8.210 nan 0.000 0.420 181 A N 0.560 123.377 122.820 -0.004 0.000 1.972 181 A HA -0.178 4.142 4.320 0.000 0.000 0.219 181 A C 2.306 179.890 177.584 0.001 0.000 1.169 181 A CA 1.346 53.380 52.037 -0.005 0.000 0.635 181 A CB -0.612 18.385 19.000 -0.006 0.000 0.810 181 A HN 0.326 nan 8.150 nan 0.000 0.446 182 I N -1.272 119.306 120.570 0.012 0.000 2.480 182 I HA -0.014 4.156 4.170 0.000 0.000 0.251 182 I C 2.238 178.384 176.117 0.048 0.000 1.124 182 I CA 0.939 62.260 61.300 0.035 0.000 1.444 182 I CB -0.167 37.853 38.000 0.034 0.000 1.098 182 I HN 0.213 nan 8.210 nan 0.000 0.428 183 R N -0.025 120.496 120.500 0.035 0.000 2.096 183 R HA -0.098 4.242 4.340 0.000 0.000 0.235 183 R C 2.119 178.450 176.300 0.051 0.000 1.127 183 R CA 1.785 57.916 56.100 0.052 0.000 0.968 183 R CB -0.882 29.443 30.300 0.041 0.000 0.861 183 R HN 0.265 nan 8.270 nan 0.000 0.440 184 V N -0.667 119.260 119.914 0.021 0.000 2.270 184 V HA -0.199 3.921 4.120 0.000 0.000 0.245 184 V C 2.198 178.268 176.094 -0.039 0.000 1.043 184 V CA 1.779 64.078 62.300 -0.002 0.000 1.014 184 V CB -0.349 31.464 31.823 -0.017 0.000 0.645 184 V HN 0.155 nan 8.190 nan 0.000 0.447 185 V N -0.086 119.786 119.914 -0.070 0.000 2.546 185 V HA -0.267 3.853 4.120 0.000 0.000 0.254 185 V C 2.521 178.480 176.094 -0.225 0.000 1.076 185 V CA 2.246 64.414 62.300 -0.220 0.000 1.087 185 V CB -0.783 30.927 31.823 -0.187 0.000 0.674 185 V HN 0.537 nan 8.190 nan 0.000 0.470 186 S N -0.747 115.002 115.700 0.082 0.000 2.383 186 S HA -0.190 4.280 4.470 0.000 0.000 0.227 186 S C 2.032 176.762 174.600 0.217 0.000 1.026 186 S CA 1.429 59.807 58.200 0.297 0.000 0.981 186 S CB -0.211 63.135 63.200 0.244 0.000 0.818 186 S HN 0.505 nan 8.310 nan 0.000 0.472 187 K N 1.186 121.647 120.400 0.102 0.000 2.148 187 K HA 0.105 4.425 4.320 0.000 0.000 0.204 187 K C 2.127 178.755 176.600 0.047 0.000 1.050 187 K CA 0.706 57.043 56.287 0.084 0.000 0.942 187 K CB -0.040 32.491 32.500 0.052 0.000 0.724 187 K HN 0.092 nan 8.250 nan 0.000 0.446 188 R N -0.853 119.624 120.500 -0.039 0.000 2.276 188 R HA -0.014 4.326 4.340 0.000 0.000 0.203 188 R C 1.153 177.430 176.300 -0.039 0.000 1.017 188 R CA 0.618 56.668 56.100 -0.083 0.000 1.010 188 R CB 0.049 30.240 30.300 -0.181 0.000 0.900 188 R HN 0.104 nan 8.270 nan 0.000 0.469 189 F N 0.569 120.548 119.950 0.048 0.000 2.149 189 F HA 0.056 4.583 4.527 0.000 0.000 0.294 189 F C 2.250 178.083 175.800 0.055 0.000 1.095 189 F CA 0.994 59.027 58.000 0.055 0.000 1.276 189 F CB -0.362 38.682 39.000 0.072 0.000 1.023 189 F HN -0.103 nan 8.300 nan 0.000 0.480 190 R N -0.631 120.027 120.500 0.264 0.000 2.083 190 R HA -0.173 4.167 4.340 0.000 0.000 0.237 190 R C 2.476 178.841 176.300 0.107 0.000 1.137 190 R CA 1.711 57.906 56.100 0.159 0.000 0.951 190 R CB -1.034 29.342 30.300 0.127 0.000 0.851 190 R HN 0.171 nan 8.270 nan 0.000 0.434 191 S N 0.581 116.334 115.700 0.088 0.000 2.344 191 S HA -0.082 4.388 4.470 0.000 0.000 0.217 191 S C 1.987 176.622 174.600 0.058 0.000 1.033 191 S CA 0.999 59.232 58.200 0.055 0.000 1.017 191 S CB -0.105 63.114 63.200 0.032 0.000 0.941 191 S HN 0.138 nan 8.310 nan 0.000 0.430 192 I N 1.701 122.312 120.570 0.069 0.000 2.315 192 I HA -0.127 4.043 4.170 0.000 0.000 0.251 192 I C 2.613 178.777 176.117 0.079 0.000 1.125 192 I CA 1.413 62.754 61.300 0.068 0.000 1.392 192 I CB -1.796 36.255 38.000 0.085 0.000 1.065 192 I HN 0.361 nan 8.210 nan 0.000 0.424 193 S N 0.315 116.078 115.700 0.106 0.000 2.357 193 S HA -0.166 4.304 4.470 0.000 0.000 0.221 193 S C 2.140 176.777 174.600 0.062 0.000 1.031 193 S CA 1.039 59.295 58.200 0.093 0.000 0.982 193 S CB -0.086 63.176 63.200 0.102 0.000 0.853 193 S HN 0.295 nan 8.310 nan 0.000 0.458 194 K N 1.822 122.253 120.400 0.052 0.000 2.000 194 K HA -0.174 4.146 4.320 0.000 0.000 0.218 194 K C 1.733 178.340 176.600 0.011 0.000 1.053 194 K CA 2.094 58.399 56.287 0.031 0.000 0.946 194 K CB -1.016 31.500 32.500 0.027 0.000 0.723 194 K HN 0.405 nan 8.250 nan 0.000 0.446 195 N N 0.996 119.701 118.700 0.008 0.000 2.149 195 N HA -0.201 4.539 4.740 0.000 0.000 0.188 195 N C 1.908 177.399 175.510 -0.030 0.000 1.019 195 N CA 1.433 54.477 53.050 -0.011 0.000 0.857 195 N CB -0.339 38.144 38.487 -0.006 0.000 0.997 195 N HN 0.368 nan 8.380 nan 0.000 0.426 196 M N 1.146 120.735 119.600 -0.018 0.000 2.202 196 M HA -0.234 4.246 4.480 0.000 0.000 0.262 196 M C 1.815 178.043 176.300 -0.120 0.000 1.063 196 M CA 1.462 56.736 55.300 -0.044 0.000 1.097 196 M CB 0.068 32.672 32.600 0.007 0.000 1.382 196 M HN 0.160 nan 8.290 nan 0.000 0.413 197 Q N 0.159 119.906 119.800 -0.089 0.000 1.916 197 Q HA -0.164 4.176 4.340 0.000 0.000 0.203 197 Q C 1.663 177.563 176.000 -0.167 0.000 0.983 197 Q CA 2.105 57.818 55.803 -0.150 0.000 0.846 197 Q CB -0.550 28.179 28.738 -0.015 0.000 0.909 197 Q HN 0.660 nan 8.270 nan 0.000 0.427 198 N N -0.067 118.581 118.700 -0.087 0.000 2.111 198 N HA -0.226 4.514 4.740 0.000 0.000 0.197 198 N C 1.815 177.262 175.510 -0.104 0.000 1.011 198 N CA 1.653 54.657 53.050 -0.076 0.000 0.880 198 N CB -0.273 38.185 38.487 -0.047 0.000 1.031 198 N HN 0.234 nan 8.380 nan 0.000 0.444 199 T N 1.232 115.717 114.554 -0.115 0.000 2.607 199 T HA -0.205 4.145 4.350 0.000 0.000 0.267 199 T C 1.890 176.488 174.700 -0.170 0.000 1.049 199 T CA 1.418 63.442 62.100 -0.127 0.000 1.162 199 T CB -0.304 68.493 68.868 -0.118 0.000 0.863 199 T HN 0.175 nan 8.240 nan 0.000 0.424 200 M N 1.518 120.967 119.600 -0.251 0.000 2.144 200 M HA -0.023 4.457 4.480 0.000 0.000 0.260 200 M C 2.218 178.392 176.300 -0.210 0.000 1.067 200 M CA 1.734 56.843 55.300 -0.318 0.000 1.095 200 M CB -1.113 31.068 32.600 -0.700 0.000 1.365 200 M HN 0.275 nan 8.290 nan 0.000 0.406 201 G N -0.842 107.854 108.800 -0.174 0.000 2.446 201 G HA2 -0.251 3.709 3.960 0.000 0.000 0.217 201 G HA3 -0.251 3.709 3.960 0.000 0.000 0.217 201 G C 1.410 176.268 174.900 -0.069 0.000 1.168 201 G CA 0.884 45.928 45.100 -0.094 0.000 0.771 201 G HN 0.626 nan 8.290 nan 0.000 0.551 202 Q N -0.108 119.644 119.800 -0.081 0.000 2.124 202 Q HA -0.061 4.279 4.340 0.000 0.000 0.202 202 Q C 2.847 178.808 176.000 -0.066 0.000 0.977 202 Q CA 1.232 56.996 55.803 -0.065 0.000 0.850 202 Q CB -0.282 28.412 28.738 -0.073 0.000 0.901 202 Q HN 0.401 nan 8.270 nan 0.000 0.429 203 V N 0.886 120.736 119.914 -0.107 0.000 2.324 203 V HA -0.305 3.815 4.120 0.000 0.000 0.250 203 V C 2.195 178.303 176.094 0.024 0.000 1.060 203 V CA 2.247 64.471 62.300 -0.127 0.000 1.042 203 V CB -1.049 30.680 31.823 -0.157 0.000 0.650 203 V HN 0.433 nan 8.190 nan 0.000 0.450 204 T N -0.259 114.303 114.554 0.015 0.000 2.595 204 T HA -0.227 4.123 4.350 0.000 0.000 0.264 204 T C 1.980 176.715 174.700 0.058 0.000 1.058 204 T CA 2.294 64.424 62.100 0.051 0.000 1.166 204 T CB -0.578 68.305 68.868 0.024 0.000 0.863 204 T HN 0.571 nan 8.240 nan 0.000 0.415 205 T N 1.720 116.290 114.554 0.026 0.000 2.597 205 T HA -0.195 4.155 4.350 0.000 0.000 0.267 205 T C 2.256 176.988 174.700 0.053 0.000 1.053 205 T CA 1.815 63.929 62.100 0.024 0.000 1.165 205 T CB -0.767 68.101 68.868 0.001 0.000 0.863 205 T HN 0.394 nan 8.240 nan 0.000 0.427 206 S N 0.562 116.308 115.700 0.077 0.000 2.419 206 S HA -0.093 4.377 4.470 0.000 0.000 0.235 206 S C 2.221 176.933 174.600 0.186 0.000 1.019 206 S CA 1.326 59.608 58.200 0.136 0.000 0.982 206 S CB -0.453 62.850 63.200 0.171 0.000 0.789 206 S HN 0.550 nan 8.310 nan 0.000 0.490 207 A N 0.813 123.756 122.820 0.205 0.000 1.898 207 A HA 0.016 4.336 4.320 0.000 0.000 0.214 207 A C 2.052 179.662 177.584 0.043 0.000 1.183 207 A CA 1.383 53.501 52.037 0.135 0.000 0.622 207 A CB -0.736 18.369 19.000 0.174 0.000 0.824 207 A HN 0.717 nan 8.150 nan 0.000 0.444 208 E N -0.425 119.801 120.200 0.044 0.000 2.023 208 E HA -0.272 4.078 4.350 0.000 0.000 0.196 208 E C 2.075 178.676 176.600 0.002 0.000 1.003 208 E CA 1.458 57.868 56.400 0.017 0.000 0.809 208 E CB -0.194 29.516 29.700 0.017 0.000 0.755 208 E HN 0.501 nan 8.360 nan 0.000 0.449 209 Q N 0.357 120.162 119.800 0.008 0.000 2.062 209 Q HA -0.260 4.080 4.340 0.000 0.000 0.209 209 Q C 2.173 178.159 176.000 -0.023 0.000 0.996 209 Q CA 2.005 57.802 55.803 -0.010 0.000 0.859 209 Q CB -0.857 27.884 28.738 0.005 0.000 0.920 209 Q HN 0.404 nan 8.270 nan 0.000 0.415 210 M N 0.576 120.171 119.600 -0.008 0.000 2.226 210 M HA -0.211 4.269 4.480 0.000 0.000 0.257 210 M C 1.652 177.930 176.300 -0.037 0.000 1.070 210 M CA 1.793 57.076 55.300 -0.028 0.000 1.087 210 M CB -0.765 31.799 32.600 -0.060 0.000 1.278 210 M HN 0.170 nan 8.290 nan 0.000 0.426 211 L N 0.129 121.323 121.223 -0.049 0.000 2.005 211 L HA -0.140 4.200 4.340 0.000 0.000 0.207 211 L C 2.453 179.312 176.870 -0.017 0.000 1.072 211 L CA 1.767 56.573 54.840 -0.057 0.000 0.744 211 L CB -2.150 39.870 42.059 -0.064 0.000 0.895 211 L HN 0.343 nan 8.230 nan 0.000 0.433 212 K N 0.156 120.545 120.400 -0.018 0.000 2.127 212 K HA -0.140 4.180 4.320 0.000 0.000 0.208 212 K C 1.736 178.321 176.600 -0.025 0.000 1.047 212 K CA 1.465 57.743 56.287 -0.015 0.000 0.927 212 K CB -0.775 31.711 32.500 -0.022 0.000 0.716 212 K HN 0.453 nan 8.250 nan 0.000 0.450 213 G N -0.083 108.686 108.800 -0.052 0.000 3.314 213 G HA2 -0.103 3.857 3.960 0.000 0.000 0.238 213 G HA3 -0.103 3.857 3.960 0.000 0.000 0.238 213 G C 0.983 175.833 174.900 -0.084 0.000 1.184 213 G CA -0.111 44.919 45.100 -0.116 0.000 0.806 213 G HN 0.275 nan 8.290 nan 0.000 0.536 214 H N 2.049 121.052 119.070 -0.111 0.000 2.261 214 H HA -0.163 4.393 4.556 0.000 0.000 0.290 214 H C 2.534 177.813 175.328 -0.082 0.000 1.081 214 H CA 2.050 58.047 56.048 -0.085 0.000 1.196 214 H CB 0.261 29.990 29.762 -0.055 0.000 1.350 214 H HN 0.094 nan 8.280 nan 0.000 0.498 215 K N 0.436 120.748 120.400 -0.147 0.000 2.049 215 K HA -0.218 4.102 4.320 0.000 0.000 0.219 215 K C 2.173 178.667 176.600 -0.176 0.000 1.056 215 K CA 1.953 58.124 56.287 -0.194 0.000 0.946 215 K CB -0.701 31.742 32.500 -0.094 0.000 0.723 215 K HN 0.407 nan 8.250 nan 0.000 0.453 216 E N 0.593 120.690 120.200 -0.170 0.000 2.019 216 E HA -0.154 4.196 4.350 0.000 0.000 0.208 216 E C 2.086 178.585 176.600 -0.167 0.000 1.030 216 E CA 1.383 57.659 56.400 -0.207 0.000 0.856 216 E CB -0.793 28.653 29.700 -0.424 0.000 0.781 216 E HN 0.062 nan 8.360 nan 0.000 0.471 217 V N 0.647 120.372 119.914 -0.315 0.000 2.680 217 V HA -0.298 3.822 4.120 0.000 0.000 0.267 217 V C 1.952 178.109 176.094 0.104 0.000 1.137 217 V CA 1.467 63.739 62.300 -0.047 0.000 1.143 217 V CB -0.682 31.126 31.823 -0.024 0.000 0.711 217 V HN 0.137 nan 8.190 nan 0.000 0.490 218 L N -0.533 120.679 121.223 -0.019 0.000 2.116 218 L HA 0.090 4.431 4.340 0.000 0.000 0.200 218 L C 2.212 179.105 176.870 0.039 0.000 1.084 218 L CA 2.036 56.862 54.840 -0.023 0.000 0.766 218 L CB -0.674 41.298 42.059 -0.145 0.000 0.930 218 L HN 0.420 nan 8.230 nan 0.000 0.453 219 I N -4.406 116.185 120.570 0.034 0.000 2.546 219 I HA -0.174 3.996 4.170 0.000 0.000 0.255 219 I C 2.482 178.673 176.117 0.123 0.000 1.163 219 I CA 0.833 62.164 61.300 0.052 0.000 1.457 219 I CB -0.562 37.456 38.000 0.030 0.000 1.092 219 I HN 0.065 nan 8.210 nan 0.000 0.434 220 F N 3.636 123.567 119.950 -0.032 0.000 2.037 220 F HA -0.139 4.388 4.527 0.000 0.000 0.296 220 F C 1.825 177.616 175.800 -0.015 0.000 1.132 220 F CA 2.192 60.180 58.000 -0.020 0.000 1.211 220 F CB -1.001 37.989 39.000 -0.016 0.000 0.951 220 F HN 0.392 nan 8.300 nan 0.000 0.503 221 G N -1.267 107.604 108.800 0.118 0.000 2.427 221 G HA2 0.174 4.134 3.960 0.000 0.000 0.193 221 G HA3 0.174 4.134 3.960 0.000 0.000 0.193 221 G C 0.327 175.175 174.900 -0.086 0.000 1.086 221 G CA 0.143 45.236 45.100 -0.012 0.000 0.818 221 G HN 1.375 nan 8.290 nan 0.000 0.490 222 G N -0.339 108.479 108.800 0.031 0.000 5.364 222 G HA2 0.439 4.399 3.960 0.000 0.000 0.220 222 G HA3 0.439 4.399 3.960 0.000 0.000 0.220 222 G C 1.110 176.107 174.900 0.161 0.000 0.838 222 G CA 0.956 46.066 45.100 0.016 0.000 0.727 222 G HN 0.634 nan 8.290 nan 0.000 0.303 223 Q N 1.288 121.180 119.800 0.154 0.000 2.152 223 Q HA -0.212 4.128 4.340 0.000 0.000 0.206 223 Q C 1.647 177.702 176.000 0.091 0.000 0.985 223 Q CA 2.188 58.069 55.803 0.129 0.000 0.863 223 Q CB -0.422 28.370 28.738 0.091 0.000 0.904 223 Q HN 0.600 nan 8.270 nan 0.000 0.422 224 E N 1.192 121.432 120.200 0.067 0.000 2.216 224 E HA -0.023 4.327 4.350 0.000 0.000 0.192 224 E C 2.092 178.728 176.600 0.059 0.000 0.988 224 E CA 0.940 57.371 56.400 0.052 0.000 0.834 224 E CB -0.784 28.936 29.700 0.033 0.000 0.772 224 E HN 0.158 nan 8.360 nan 0.000 0.479 225 V N 1.432 121.382 119.914 0.061 0.000 2.490 225 V HA -0.213 3.907 4.120 0.000 0.000 0.250 225 V C 2.141 178.294 176.094 0.098 0.000 1.061 225 V CA 1.977 64.313 62.300 0.059 0.000 1.064 225 V CB -0.485 31.360 31.823 0.037 0.000 0.670 225 V HN 0.230 nan 8.190 nan 0.000 0.461 226 E N 0.161 120.437 120.200 0.126 0.000 2.046 226 E HA -0.126 4.224 4.350 0.000 0.000 0.190 226 E C 2.381 179.055 176.600 0.125 0.000 0.982 226 E CA 1.683 58.162 56.400 0.131 0.000 0.800 226 E CB -0.744 29.028 29.700 0.119 0.000 0.756 226 E HN 0.583 nan 8.360 nan 0.000 0.449 227 T N 2.170 116.780 114.554 0.094 0.000 2.624 227 T HA -0.234 4.116 4.350 0.000 0.000 0.268 227 T C 1.883 176.666 174.700 0.138 0.000 1.041 227 T CA 2.024 64.183 62.100 0.098 0.000 1.159 227 T CB -0.198 68.707 68.868 0.062 0.000 0.863 227 T HN 0.180 nan 8.240 nan 0.000 0.434 228 K N 1.008 121.467 120.400 0.099 0.000 2.020 228 K HA -0.212 4.108 4.320 0.000 0.000 0.212 228 K C 2.526 179.182 176.600 0.094 0.000 1.050 228 K CA 1.752 58.089 56.287 0.082 0.000 0.929 228 K CB -0.230 32.303 32.500 0.055 0.000 0.714 228 K HN 0.180 nan 8.250 nan 0.000 0.443 229 R N -0.501 120.062 120.500 0.105 0.000 2.103 229 R HA -0.196 4.144 4.340 0.000 0.000 0.242 229 R C 2.284 178.650 176.300 0.110 0.000 1.142 229 R CA 1.951 58.108 56.100 0.095 0.000 0.960 229 R CB -0.445 29.919 30.300 0.107 0.000 0.858 229 R HN 0.289 nan 8.270 nan 0.000 0.439 230 F N 1.693 121.651 119.950 0.014 0.000 2.084 230 F HA -0.200 4.327 4.527 0.000 0.000 0.296 230 F C 1.892 177.694 175.800 0.004 0.000 1.111 230 F CA 1.933 59.938 58.000 0.008 0.000 1.224 230 F CB -0.232 38.773 39.000 0.010 0.000 0.991 230 F HN 0.081 nan 8.300 nan 0.000 0.471 231 D N 0.264 120.757 120.400 0.155 0.000 2.133 231 D HA -0.264 4.376 4.640 0.000 0.000 0.195 231 D C 2.153 178.427 176.300 -0.043 0.000 0.997 231 D CA 1.579 55.613 54.000 0.056 0.000 0.840 231 D CB -0.443 40.405 40.800 0.080 0.000 0.947 231 D HN 0.332 nan 8.370 nan 0.000 0.452 232 K N 0.764 121.144 120.400 -0.033 0.000 2.057 232 K HA -0.103 4.217 4.320 0.000 0.000 0.207 232 K C 2.074 178.610 176.600 -0.107 0.000 1.049 232 K CA 0.782 57.038 56.287 -0.051 0.000 0.931 232 K CB 0.115 32.600 32.500 -0.024 0.000 0.714 232 K HN -0.074 nan 8.250 nan 0.000 0.440 233 V N 1.148 120.956 119.914 -0.175 0.000 2.346 233 V HA -0.228 3.892 4.120 0.000 0.000 0.244 233 V C 2.373 178.283 176.094 -0.306 0.000 1.037 233 V CA 1.836 63.996 62.300 -0.234 0.000 1.029 233 V CB -0.261 31.399 31.823 -0.272 0.000 0.663 233 V HN 0.553 nan 8.190 nan 0.000 0.454 234 S N 1.407 116.817 115.700 -0.482 0.000 2.369 234 S HA -0.376 4.094 4.470 0.000 0.000 0.225 234 S C 1.849 176.336 174.600 -0.189 0.000 1.043 234 S CA 2.303 60.259 58.200 -0.406 0.000 1.074 234 S CB -1.024 61.938 63.200 -0.398 0.000 0.962 234 S HN 0.599 nan 8.310 nan 0.000 0.433 235 N N 2.019 120.639 118.700 -0.133 0.000 2.036 235 N HA -0.179 4.561 4.740 0.000 0.000 0.195 235 N C 1.675 177.142 175.510 -0.073 0.000 1.037 235 N CA 1.964 54.970 53.050 -0.073 0.000 0.855 235 N CB -0.497 37.961 38.487 -0.049 0.000 1.033 235 N HN 0.630 nan 8.380 nan 0.000 0.423 236 K N -0.879 119.469 120.400 -0.086 0.000 2.442 236 K HA -0.193 4.127 4.320 0.000 0.000 0.200 236 K C 1.686 178.240 176.600 -0.078 0.000 1.045 236 K CA 1.023 57.266 56.287 -0.074 0.000 0.937 236 K CB -0.085 32.367 32.500 -0.079 0.000 0.757 236 K HN 0.282 nan 8.250 nan 0.000 0.474 237 M N 0.878 120.420 119.600 -0.097 0.000 2.384 237 M HA -0.047 4.433 4.480 0.000 0.000 0.258 237 M C 1.916 178.185 176.300 -0.053 0.000 1.130 237 M CA 1.120 56.365 55.300 -0.091 0.000 1.187 237 M CB -0.126 32.401 32.600 -0.121 0.000 1.307 237 M HN 0.059 nan 8.290 nan 0.000 0.468 238 R N 0.494 120.967 120.500 -0.044 0.000 2.139 238 R HA -0.159 4.181 4.340 0.000 0.000 0.243 238 R C 1.599 177.893 176.300 -0.010 0.000 1.145 238 R CA 1.999 58.088 56.100 -0.018 0.000 0.976 238 R CB -1.335 28.958 30.300 -0.013 0.000 0.866 238 R HN 0.463 nan 8.270 nan 0.000 0.449 239 L N 0.028 121.240 121.223 -0.018 0.000 2.375 239 L HA 0.058 4.398 4.340 0.000 0.000 0.215 239 L C 2.563 179.428 176.870 -0.008 0.000 1.108 239 L CA 0.368 55.202 54.840 -0.010 0.000 0.830 239 L CB -0.234 41.816 42.059 -0.015 0.000 0.959 239 L HN 0.162 nan 8.230 nan 0.000 0.457 240 Q N 1.005 120.794 119.800 -0.018 0.000 2.016 240 Q HA -0.092 4.248 4.340 0.000 0.000 0.200 240 Q C 2.157 178.162 176.000 0.007 0.000 0.978 240 Q CA 2.165 57.960 55.803 -0.014 0.000 0.833 240 Q CB -0.591 28.126 28.738 -0.035 0.000 0.895 240 Q HN 0.333 nan 8.270 nan 0.000 0.427 241 G N 0.139 108.945 108.800 0.009 0.000 2.404 241 G HA2 -0.281 3.679 3.960 0.000 0.000 0.215 241 G HA3 -0.281 3.679 3.960 0.000 0.000 0.215 241 G C 1.418 176.343 174.900 0.043 0.000 1.174 241 G CA 1.024 46.144 45.100 0.035 0.000 0.780 241 G HN 0.392 nan 8.290 nan 0.000 0.537 242 M N 0.421 120.039 119.600 0.029 0.000 2.144 242 M HA -0.043 4.437 4.480 0.000 0.000 0.260 242 M C 2.292 178.614 176.300 0.037 0.000 1.067 242 M CA 1.647 56.966 55.300 0.031 0.000 1.095 242 M CB -0.184 32.427 32.600 0.019 0.000 1.365 242 M HN 0.191 nan 8.290 nan 0.000 0.406 243 K N -0.230 120.188 120.400 0.030 0.000 2.032 243 K HA -0.186 4.134 4.320 0.000 0.000 0.209 243 K C 2.026 178.656 176.600 0.050 0.000 1.048 243 K CA 2.137 58.441 56.287 0.028 0.000 0.927 243 K CB -0.530 31.980 32.500 0.017 0.000 0.712 243 K HN 0.514 nan 8.250 nan 0.000 0.441 244 M N 0.118 119.766 119.600 0.079 0.000 2.077 244 M HA -0.147 4.333 4.480 0.000 0.000 0.261 244 M C 1.961 178.373 176.300 0.187 0.000 1.070 244 M CA 2.039 57.428 55.300 0.148 0.000 1.125 244 M CB -0.172 32.540 32.600 0.188 0.000 1.339 244 M HN 0.099 nan 8.290 nan 0.000 0.409 245 V N -1.941 118.052 119.914 0.133 0.000 2.324 245 V HA -0.222 3.898 4.120 0.000 0.000 0.250 245 V C 2.002 178.162 176.094 0.110 0.000 1.060 245 V CA 2.477 64.848 62.300 0.118 0.000 1.042 245 V CB -1.426 30.441 31.823 0.073 0.000 0.650 245 V HN 0.532 nan 8.190 nan 0.000 0.450 246 S N 0.712 116.459 115.700 0.079 0.000 2.387 246 S HA 0.094 4.564 4.470 0.000 0.000 0.226 246 S C 2.264 176.898 174.600 0.058 0.000 1.026 246 S CA 1.384 59.618 58.200 0.057 0.000 0.972 246 S CB -0.571 62.649 63.200 0.035 0.000 0.814 246 S HN 0.962 nan 8.310 nan 0.000 0.477 247 A N 0.588 123.441 122.820 0.055 0.000 1.972 247 A HA -0.076 4.244 4.320 0.000 0.000 0.219 247 A C 2.234 179.841 177.584 0.038 0.000 1.169 247 A CA 1.889 53.924 52.037 -0.004 0.000 0.635 247 A CB -0.753 18.203 19.000 -0.073 0.000 0.810 247 A HN 0.462 nan 8.150 nan 0.000 0.446 248 S N -1.082 114.756 115.700 0.231 0.000 2.414 248 S HA -0.085 4.385 4.470 0.000 0.000 0.227 248 S C 2.297 177.021 174.600 0.206 0.000 1.022 248 S CA 1.475 59.924 58.200 0.415 0.000 0.958 248 S CB -0.390 63.087 63.200 0.461 0.000 0.797 248 S HN 0.649 nan 8.310 nan 0.000 0.493 249 S N 1.862 117.638 115.700 0.127 0.000 2.348 249 S HA -0.110 4.360 4.470 0.000 0.000 0.221 249 S C 1.919 176.556 174.600 0.062 0.000 1.033 249 S CA 1.577 59.825 58.200 0.080 0.000 1.010 249 S CB -0.745 62.490 63.200 0.058 0.000 0.891 249 S HN 0.711 nan 8.310 nan 0.000 0.442 250 I N -0.370 120.228 120.570 0.047 0.000 2.676 250 I HA 0.052 4.222 4.170 0.000 0.000 0.259 250 I C 2.287 178.422 176.117 0.030 0.000 1.194 250 I CA 1.365 62.681 61.300 0.028 0.000 1.473 250 I CB -0.653 37.352 38.000 0.010 0.000 1.096 250 I HN 0.272 nan 8.210 nan 0.000 0.443 251 S N 1.376 117.105 115.700 0.049 0.000 2.382 251 S HA -0.195 4.275 4.470 0.000 0.000 0.228 251 S C 1.644 176.284 174.600 0.068 0.000 1.027 251 S CA 1.896 60.131 58.200 0.058 0.000 0.991 251 S CB -0.428 62.849 63.200 0.128 0.000 0.823 251 S HN 0.575 nan 8.310 nan 0.000 0.469 252 D N 1.183 121.627 120.400 0.074 0.000 2.077 252 D HA -0.014 4.626 4.640 0.000 0.000 0.197 252 D C -0.599 175.723 176.300 0.037 0.000 0.983 252 D CA 1.248 55.281 54.000 0.056 0.000 0.841 252 D CB -1.891 38.941 40.800 0.053 0.000 0.992 252 D HN 0.296 nan 8.370 nan 0.000 0.450 253 P HA -0.120 nan 4.420 nan 0.000 0.218 253 P C 1.514 178.826 177.300 0.020 0.000 1.146 253 P CA 0.804 63.918 63.100 0.024 0.000 0.820 253 P CB 0.050 31.763 31.700 0.022 0.000 0.778 254 I N -1.764 118.817 120.570 0.019 0.000 2.315 254 I HA -0.158 4.012 4.170 0.000 0.000 0.248 254 I C 2.038 178.164 176.117 0.014 0.000 1.117 254 I CA 1.381 62.689 61.300 0.013 0.000 1.404 254 I CB -1.156 36.848 38.000 0.007 0.000 1.071 254 I HN -0.040 nan 8.210 nan 0.000 0.419 255 I N 0.496 121.078 120.570 0.019 0.000 2.676 255 I HA -0.200 3.970 4.170 0.000 0.000 0.259 255 I C 2.531 178.657 176.117 0.015 0.000 1.194 255 I CA 0.992 62.302 61.300 0.017 0.000 1.473 255 I CB -0.412 37.602 38.000 0.024 0.000 1.096 255 I HN 0.257 nan 8.210 nan 0.000 0.443 256 Q N -0.596 119.214 119.800 0.017 0.000 2.167 256 Q HA -0.202 4.138 4.340 0.000 0.000 0.202 256 Q C 2.241 178.251 176.000 0.016 0.000 0.970 256 Q CA 1.176 56.989 55.803 0.016 0.000 0.855 256 Q CB -0.249 28.499 28.738 0.017 0.000 0.911 256 Q HN 0.395 nan 8.270 nan 0.000 0.438 257 L N 0.951 122.184 121.223 0.016 0.000 1.989 257 L HA -0.193 4.147 4.340 0.000 0.000 0.211 257 L C 2.026 178.906 176.870 0.017 0.000 1.071 257 L CA 1.692 56.542 54.840 0.017 0.000 0.749 257 L CB -0.393 41.674 42.059 0.013 0.000 0.890 257 L HN 0.160 nan 8.230 nan 0.000 0.431 258 I N -0.460 120.117 120.570 0.011 0.000 2.335 258 I HA -0.294 3.876 4.170 0.000 0.000 0.251 258 I C 2.536 178.659 176.117 0.010 0.000 1.129 258 I CA 1.098 62.403 61.300 0.008 0.000 1.402 258 I CB -0.707 37.292 38.000 -0.001 0.000 1.069 258 I HN 0.385 nan 8.210 nan 0.000 0.424 259 A N 0.153 122.979 122.820 0.010 0.000 1.872 259 A HA -0.144 4.176 4.320 0.000 0.000 0.214 259 A C 2.415 180.013 177.584 0.022 0.000 1.187 259 A CA 1.834 53.876 52.037 0.008 0.000 0.614 259 A CB -0.700 18.302 19.000 0.003 0.000 0.826 259 A HN 0.360 nan 8.150 nan 0.000 0.442 260 S N -0.418 115.300 115.700 0.030 0.000 2.547 260 S HA 0.016 4.486 4.470 0.000 0.000 0.235 260 S C 1.624 176.264 174.600 0.067 0.000 0.980 260 S CA 0.848 59.077 58.200 0.048 0.000 0.941 260 S CB -0.272 62.953 63.200 0.042 0.000 0.763 260 S HN 0.512 nan 8.310 nan 0.000 0.532 261 L N 0.882 122.140 121.223 0.058 0.000 2.084 261 L HA 0.089 4.429 4.340 0.000 0.000 0.202 261 L C 2.441 179.383 176.870 0.120 0.000 1.074 261 L CA 1.014 55.900 54.840 0.076 0.000 0.757 261 L CB -0.547 41.541 42.059 0.050 0.000 0.918 261 L HN 0.345 nan 8.230 nan 0.000 0.444 262 A N -0.294 122.570 122.820 0.074 0.000 2.015 262 A HA -0.149 4.171 4.320 0.000 0.000 0.219 262 A C 2.096 179.761 177.584 0.134 0.000 1.163 262 A CA 1.050 53.121 52.037 0.057 0.000 0.646 262 A CB -0.588 18.393 19.000 -0.030 0.000 0.806 262 A HN 0.464 nan 8.150 nan 0.000 0.448 263 L N -0.558 120.743 121.223 0.129 0.000 2.095 263 L HA 0.004 4.344 4.340 0.000 0.000 0.204 263 L C 2.524 179.557 176.870 0.272 0.000 1.080 263 L CA 2.159 57.106 54.840 0.178 0.000 0.759 263 L CB -1.188 40.932 42.059 0.102 0.000 0.914 263 L HN 0.377 nan 8.230 nan 0.000 0.439 264 A N -0.932 122.017 122.820 0.215 0.000 2.014 264 A HA -0.240 4.080 4.320 0.000 0.000 0.218 264 A C 2.059 179.781 177.584 0.228 0.000 1.163 264 A CA 1.025 53.179 52.037 0.194 0.000 0.652 264 A CB -0.840 18.234 19.000 0.124 0.000 0.808 264 A HN 0.468 nan 8.150 nan 0.000 0.449 265 F N 0.546 120.555 119.950 0.098 0.000 2.216 265 F HA -0.113 4.414 4.527 0.000 0.000 0.300 265 F C 2.131 178.023 175.800 0.153 0.000 1.085 265 F CA 1.506 59.569 58.000 0.105 0.000 1.326 265 F CB -0.147 38.883 39.000 0.050 0.000 1.027 265 F HN 0.036 nan 8.300 nan 0.000 0.497 266 V N -0.169 120.016 119.914 0.451 0.000 2.427 266 V HA -0.265 3.855 4.120 0.000 0.000 0.248 266 V C 2.337 178.552 176.094 0.202 0.000 1.051 266 V CA 1.461 63.968 62.300 0.345 0.000 1.048 266 V CB -0.648 31.403 31.823 0.380 0.000 0.666 266 V HN 0.251 nan 8.190 nan 0.000 0.456 267 L N -1.168 120.155 121.223 0.165 0.000 2.141 267 L HA -0.157 4.183 4.340 0.000 0.000 0.209 267 L C 2.275 179.200 176.870 0.093 0.000 1.094 267 L CA 1.837 56.703 54.840 0.044 0.000 0.763 267 L CB -0.847 41.236 42.059 0.040 0.000 0.908 267 L HN 0.464 nan 8.230 nan 0.000 0.437 268 Y N -0.169 120.133 120.300 0.004 0.000 2.314 268 Y HA -0.082 4.468 4.550 0.000 0.000 0.293 268 Y C 2.135 178.074 175.900 0.065 0.000 1.129 268 Y CA 1.061 59.160 58.100 -0.001 0.000 1.201 268 Y CB -0.066 38.281 38.460 -0.190 0.000 0.999 268 Y HN 0.097 nan 8.280 nan 0.000 0.541 269 A N -0.823 122.012 122.820 0.024 0.000 2.307 269 A HA 0.491 4.811 4.320 0.000 0.000 0.218 269 A C 1.841 179.431 177.584 0.010 0.000 1.228 269 A CA 0.612 52.647 52.037 -0.004 0.000 0.857 269 A CB -0.831 18.244 19.000 0.125 0.000 0.897 269 A HN 0.462 nan 8.150 nan 0.000 0.495 270 A N -1.413 121.400 122.820 -0.011 0.000 2.197 270 A HA 0.265 4.585 4.320 0.000 0.000 0.210 270 A C 2.027 179.542 177.584 -0.115 0.000 1.180 270 A CA 1.152 53.155 52.037 -0.057 0.000 0.846 270 A CB -0.239 18.705 19.000 -0.092 0.000 0.884 270 A HN 0.390 nan 8.150 nan 0.000 0.487 271 S N -1.589 114.024 115.700 -0.146 0.000 2.458 271 S HA 0.136 4.606 4.470 0.000 0.000 0.223 271 S C 1.205 175.444 174.600 -0.602 0.000 1.019 271 S CA 1.004 58.981 58.200 -0.372 0.000 0.937 271 S CB -0.239 62.696 63.200 -0.441 0.000 0.788 271 S HN 0.460 nan 8.310 nan 0.000 0.511 272 F N 0.677 120.488 119.950 -0.231 0.000 2.537 272 F HA 0.397 4.924 4.527 0.000 0.000 0.275 272 F C -1.194 174.522 175.800 -0.141 0.000 0.947 272 F CA -0.335 57.544 58.000 -0.201 0.000 1.238 272 F CB -1.347 37.484 39.000 -0.282 0.000 1.071 272 F HN 0.034 nan 8.300 nan 0.000 0.749 273 P HA -0.112 nan 4.420 nan 0.000 0.219 273 P C 1.783 179.085 177.300 0.003 0.000 1.150 273 P CA 1.819 64.932 63.100 0.022 0.000 0.814 273 P CB 0.068 31.775 31.700 0.011 0.000 0.787 274 S N -0.959 114.730 115.700 -0.019 0.000 2.436 274 S HA -0.031 4.439 4.470 0.000 0.000 0.228 274 S C 1.211 175.789 174.600 -0.038 0.000 1.014 274 S CA 0.513 58.697 58.200 -0.027 0.000 0.950 274 S CB -0.680 62.494 63.200 -0.045 0.000 0.784 274 S HN -0.146 nan 8.310 nan 0.000 0.504 275 V N 2.857 122.737 119.914 -0.057 0.000 3.099 275 V HA 0.375 4.495 4.120 0.000 0.000 0.387 275 V C 0.521 176.598 176.094 -0.027 0.000 1.358 275 V CA 0.270 62.530 62.300 -0.066 0.000 1.528 275 V CB 0.040 31.784 31.823 -0.132 0.000 1.342 275 V HN 0.594 nan 8.190 nan 0.000 0.513 276 M N -0.012 119.582 119.600 -0.009 0.000 4.816 276 M HA 0.173 4.653 4.480 0.000 0.000 0.611 276 M C -0.154 176.154 176.300 0.013 0.000 2.092 276 M CA 0.326 55.631 55.300 0.009 0.000 0.523 276 M CB -0.148 32.466 32.600 0.023 0.000 1.584 276 M HN 0.455 nan 8.290 nan 0.000 0.657 277 D N 0.904 121.306 120.400 0.003 0.000 3.301 277 D HA -0.243 4.397 4.640 0.000 0.000 0.217 277 D C 0.764 177.076 176.300 0.021 0.000 1.548 277 D CA 2.522 56.527 54.000 0.009 0.000 1.118 277 D CB -1.097 39.711 40.800 0.014 0.000 0.684 277 D HN 0.441 nan 8.370 nan 0.000 0.821 278 S N -2.974 112.746 115.700 0.033 0.000 2.378 278 S HA -0.290 4.180 4.470 0.000 0.000 0.240 278 S C 0.987 175.609 174.600 0.036 0.000 1.229 278 S CA 1.713 59.946 58.200 0.054 0.000 1.607 278 S CB -0.999 62.246 63.200 0.074 0.000 2.074 278 S HN 0.443 nan 8.310 nan 0.000 0.620 279 L N 0.257 121.491 121.223 0.018 0.000 2.641 279 L HA 0.152 4.492 4.340 0.000 0.000 0.207 279 L C 1.357 178.234 176.870 0.011 0.000 1.049 279 L CA 0.826 55.674 54.840 0.013 0.000 0.866 279 L CB -0.280 41.785 42.059 0.009 0.000 1.264 279 L HN 0.655 nan 8.230 nan 0.000 0.483 280 T N -0.966 113.589 114.554 0.003 0.000 0.542 280 T HA -0.385 3.965 4.350 0.000 0.000 0.774 280 T C 0.668 175.370 174.700 0.003 0.000 0.992 280 T CA 0.388 62.488 62.100 -0.000 0.000 4.076 280 T CB -0.985 67.887 68.868 0.006 0.000 2.303 280 T HN 0.319 nan 8.240 nan 0.000 0.398 281 A N 0.478 123.301 122.820 0.005 0.000 2.337 281 A HA 0.640 4.960 4.320 0.000 0.000 0.227 281 A C 2.011 179.613 177.584 0.030 0.000 1.259 281 A CA 1.076 53.119 52.037 0.010 0.000 0.870 281 A CB -0.914 18.087 19.000 0.003 0.000 0.927 281 A HN 1.494 nan 8.150 nan 0.000 0.497 282 G N -1.425 107.397 108.800 0.036 0.000 2.742 282 G HA2 0.092 4.052 3.960 0.000 0.000 0.204 282 G HA3 0.092 4.052 3.960 0.000 0.000 0.204 282 G C 1.308 176.257 174.900 0.081 0.000 1.126 282 G CA 1.129 46.261 45.100 0.054 0.000 0.829 282 G HN 0.342 nan 8.290 nan 0.000 0.574 283 T N 1.370 115.961 114.554 0.062 0.000 3.035 283 T HA 0.139 4.489 4.350 0.000 0.000 0.259 283 T C 1.822 176.589 174.700 0.111 0.000 1.078 283 T CA 0.021 62.168 62.100 0.079 0.000 1.132 283 T CB 0.173 69.045 68.868 0.007 0.000 0.900 283 T HN 0.081 nan 8.240 nan 0.000 0.480 284 I N 2.239 122.854 120.570 0.076 0.000 3.605 284 I HA 0.038 4.208 4.170 0.000 0.000 0.301 284 I C 0.833 177.017 176.117 0.111 0.000 1.267 284 I CA 0.827 62.169 61.300 0.070 0.000 1.236 284 I CB -0.894 37.102 38.000 -0.007 0.000 1.010 284 I HN 0.190 nan 8.210 nan 0.000 0.491 285 T N -1.108 113.532 114.554 0.144 0.000 3.098 285 T HA 0.096 4.446 4.350 0.000 0.000 0.246 285 T C 1.715 176.526 174.700 0.185 0.000 0.983 285 T CA 0.344 62.542 62.100 0.163 0.000 1.094 285 T CB 0.446 69.377 68.868 0.105 0.000 1.035 285 T HN 0.071 nan 8.240 nan 0.000 0.456 286 V N 1.507 121.529 119.914 0.181 0.000 2.599 286 V HA 0.028 4.148 4.120 0.000 0.000 0.245 286 V C 2.505 178.709 176.094 0.184 0.000 1.046 286 V CA 0.879 63.279 62.300 0.168 0.000 1.065 286 V CB -0.281 31.675 31.823 0.221 0.000 0.703 286 V HN 0.246 nan 8.190 nan 0.000 0.464 287 V N -0.487 119.592 119.914 0.274 0.000 2.548 287 V HA -0.168 3.952 4.120 0.000 0.000 0.249 287 V C 2.086 178.298 176.094 0.196 0.000 1.055 287 V CA 2.031 64.486 62.300 0.257 0.000 1.065 287 V CB -0.533 31.442 31.823 0.252 0.000 0.681 287 V HN 0.598 nan 8.190 nan 0.000 0.462 288 F N 0.538 120.532 119.950 0.074 0.000 2.270 288 F HA -0.021 4.506 4.527 0.000 0.000 0.295 288 F C 2.612 178.435 175.800 0.039 0.000 1.087 288 F CA 1.479 59.512 58.000 0.055 0.000 1.365 288 F CB -0.267 38.764 39.000 0.052 0.000 1.056 288 F HN 0.081 nan 8.300 nan 0.000 0.506 289 S N -1.116 114.576 115.700 -0.014 0.000 2.383 289 S HA -0.191 4.279 4.470 0.000 0.000 0.227 289 S C 2.329 176.839 174.600 -0.150 0.000 1.026 289 S CA 1.559 59.688 58.200 -0.118 0.000 0.981 289 S CB -0.834 62.373 63.200 0.011 0.000 0.818 289 S HN 0.451 nan 8.310 nan 0.000 0.472 290 S N -0.147 115.500 115.700 -0.088 0.000 2.453 290 S HA -0.004 4.466 4.470 0.000 0.000 0.231 290 S C 1.746 176.284 174.600 -0.104 0.000 1.005 290 S CA 1.203 59.347 58.200 -0.093 0.000 0.949 290 S CB -0.369 62.779 63.200 -0.087 0.000 0.774 290 S HN 0.598 nan 8.310 nan 0.000 0.510 291 M N 1.199 120.716 119.600 -0.137 0.000 2.115 291 M HA 0.243 4.723 4.480 0.000 0.000 0.261 291 M C 1.735 177.919 176.300 -0.193 0.000 1.079 291 M CA 1.441 56.659 55.300 -0.136 0.000 1.143 291 M CB -0.422 32.110 32.600 -0.114 0.000 1.332 291 M HN 0.346 nan 8.290 nan 0.000 0.421 292 I N 0.107 120.464 120.570 -0.354 0.000 2.850 292 I HA -0.188 3.982 4.170 0.000 0.000 0.266 292 I C 1.665 177.679 176.117 -0.173 0.000 1.257 292 I CA 1.168 62.286 61.300 -0.303 0.000 1.465 292 I CB -0.258 37.465 38.000 -0.461 0.000 1.091 292 I HN 0.431 nan 8.210 nan 0.000 0.467 293 A N 0.449 123.180 122.820 -0.149 0.000 1.862 293 A HA -0.110 4.210 4.320 0.000 0.000 0.211 293 A C 2.028 179.571 177.584 -0.068 0.000 1.220 293 A CA 0.494 52.474 52.037 -0.095 0.000 0.616 293 A CB -0.811 18.136 19.000 -0.089 0.000 0.878 293 A HN 0.375 nan 8.150 nan 0.000 0.453 294 L N 0.460 121.644 121.223 -0.064 0.000 2.129 294 L HA -0.203 4.137 4.340 0.000 0.000 0.212 294 L C 2.321 179.176 176.870 -0.025 0.000 1.087 294 L CA 2.879 57.697 54.840 -0.036 0.000 0.757 294 L CB -0.748 41.299 42.059 -0.020 0.000 0.896 294 L HN 0.578 nan 8.230 nan 0.000 0.434 295 M N -1.835 117.743 119.600 -0.037 0.000 2.460 295 M HA -0.069 4.411 4.480 0.000 0.000 0.263 295 M C 2.070 178.358 176.300 -0.020 0.000 1.071 295 M CA 1.529 56.814 55.300 -0.025 0.000 1.096 295 M CB -0.956 31.626 32.600 -0.031 0.000 1.408 295 M HN 0.148 nan 8.290 nan 0.000 0.463 296 R N 1.515 121.999 120.500 -0.026 0.000 2.055 296 R HA 0.046 4.386 4.340 0.000 0.000 0.226 296 R C -0.748 175.545 176.300 -0.012 0.000 1.135 296 R CA 1.570 57.658 56.100 -0.019 0.000 0.959 296 R CB -1.852 28.433 30.300 -0.024 0.000 0.854 296 R HN 0.338 nan 8.270 nan 0.000 0.431 297 P HA -0.120 nan 4.420 nan 0.000 0.221 297 P C 1.743 179.040 177.300 -0.005 0.000 1.150 297 P CA 0.900 63.995 63.100 -0.009 0.000 0.800 297 P CB -0.135 31.558 31.700 -0.012 0.000 0.787 298 L N -0.075 121.147 121.223 -0.002 0.000 2.131 298 L HA 0.038 4.378 4.340 0.000 0.000 0.206 298 L C 1.874 178.745 176.870 0.001 0.000 1.087 298 L CA 1.381 56.222 54.840 0.002 0.000 0.767 298 L CB -0.416 41.647 42.059 0.006 0.000 0.917 298 L HN -0.229 nan 8.230 nan 0.000 0.441 299 K N -0.731 119.670 120.400 0.002 0.000 2.591 299 K HA 0.002 4.322 4.320 0.000 0.000 0.197 299 K C 1.298 177.902 176.600 0.007 0.000 1.026 299 K CA 0.453 56.745 56.287 0.007 0.000 1.127 299 K CB 0.285 32.789 32.500 0.007 0.000 0.871 299 K HN 0.285 nan 8.250 nan 0.000 0.507 300 S N 0.233 115.934 115.700 0.002 0.000 2.830 300 S HA 0.013 4.483 4.470 0.000 0.000 0.249 300 S C 1.456 176.053 174.600 -0.005 0.000 1.084 300 S CA -0.271 57.928 58.200 -0.000 0.000 0.852 300 S CB 0.070 63.269 63.200 -0.003 0.000 0.802 300 S HN 0.265 nan 8.310 nan 0.000 0.481 301 L N 2.315 123.532 121.223 -0.011 0.000 2.261 301 L HA 0.023 4.363 4.340 0.000 0.000 0.216 301 L C 2.326 179.183 176.870 -0.023 0.000 1.114 301 L CA 2.394 57.219 54.840 -0.025 0.000 0.777 301 L CB -0.991 41.049 42.059 -0.032 0.000 0.910 301 L HN 0.493 nan 8.230 nan 0.000 0.440 302 T N -1.124 113.429 114.554 -0.001 0.000 2.732 302 T HA -0.195 4.155 4.350 0.000 0.000 0.261 302 T C 1.946 176.655 174.700 0.014 0.000 1.040 302 T CA 1.452 63.566 62.100 0.023 0.000 1.145 302 T CB -0.414 68.482 68.868 0.047 0.000 0.866 302 T HN 0.558 nan 8.240 nan 0.000 0.427 303 N N 0.604 119.309 118.700 0.009 0.000 2.205 303 N HA -0.098 4.642 4.740 0.000 0.000 0.186 303 N C 1.930 177.414 175.510 -0.044 0.000 1.015 303 N CA 1.472 54.518 53.050 -0.007 0.000 0.862 303 N CB -0.375 38.114 38.487 0.005 0.000 0.986 303 N HN 0.392 nan 8.380 nan 0.000 0.429 304 V N 1.458 121.352 119.914 -0.033 0.000 2.878 304 V HA -0.050 4.070 4.120 0.000 0.000 0.250 304 V C 2.282 178.356 176.094 -0.033 0.000 1.075 304 V CA 0.991 63.274 62.300 -0.029 0.000 1.096 304 V CB -0.733 31.087 31.823 -0.006 0.000 0.724 304 V HN 0.369 nan 8.190 nan 0.000 0.467 305 N N 1.212 119.881 118.700 -0.052 0.000 2.094 305 N HA -0.225 4.515 4.740 0.000 0.000 0.191 305 N C 1.812 177.254 175.510 -0.114 0.000 1.023 305 N CA 2.039 55.059 53.050 -0.051 0.000 0.857 305 N CB -0.161 38.299 38.487 -0.044 0.000 1.013 305 N HN 0.550 nan 8.380 nan 0.000 0.426 306 A N 1.054 123.661 122.820 -0.356 0.000 1.852 306 A HA -0.282 4.038 4.320 0.000 0.000 0.217 306 A C 2.223 179.591 177.584 -0.360 0.000 1.215 306 A CA 2.384 53.941 52.037 -0.799 0.000 0.641 306 A CB -1.361 17.177 19.000 -0.770 0.000 0.838 306 A HN 0.509 nan 8.150 nan 0.000 0.450 307 Q N -1.300 118.388 119.800 -0.186 0.000 2.173 307 Q HA -0.212 4.128 4.340 0.000 0.000 0.208 307 Q C 1.707 177.692 176.000 -0.025 0.000 0.989 307 Q CA 2.374 58.124 55.803 -0.088 0.000 0.872 307 Q CB -0.631 28.076 28.738 -0.051 0.000 0.909 307 Q HN 0.668 nan 8.270 nan 0.000 0.420 308 F N 0.196 120.082 119.950 -0.106 0.000 2.171 308 F HA -0.202 4.325 4.527 0.000 0.000 0.300 308 F C 1.919 177.705 175.800 -0.022 0.000 1.090 308 F CA 1.560 59.528 58.000 -0.053 0.000 1.293 308 F CB -0.162 38.813 39.000 -0.042 0.000 1.013 308 F HN 0.120 nan 8.300 nan 0.000 0.486 309 Q N 0.483 120.432 119.800 0.250 0.000 1.990 309 Q HA -0.215 4.125 4.340 0.000 0.000 0.200 309 Q C 2.412 178.434 176.000 0.037 0.000 0.980 309 Q CA 1.729 57.655 55.803 0.206 0.000 0.832 309 Q CB -0.917 27.945 28.738 0.205 0.000 0.897 309 Q HN 0.447 nan 8.270 nan 0.000 0.427 310 R N -0.044 120.449 120.500 -0.012 0.000 2.159 310 R HA -0.229 4.111 4.340 0.000 0.000 0.249 310 R C 2.237 178.502 176.300 -0.059 0.000 1.136 310 R CA 2.102 58.192 56.100 -0.017 0.000 0.951 310 R CB -0.731 29.546 30.300 -0.040 0.000 0.876 310 R HN 0.389 nan 8.270 nan 0.000 0.440 311 G N 0.067 108.786 108.800 -0.135 0.000 2.394 311 G HA2 -0.255 3.705 3.960 0.000 0.000 0.214 311 G HA3 -0.255 3.705 3.960 0.000 0.000 0.214 311 G C 1.371 176.123 174.900 -0.246 0.000 1.176 311 G CA 0.598 45.578 45.100 -0.200 0.000 0.786 311 G HN 0.199 nan 8.290 nan 0.000 0.533 312 M N 1.657 121.075 119.600 -0.303 0.000 2.073 312 M HA -0.062 4.418 4.480 0.000 0.000 0.258 312 M C 2.864 179.060 176.300 -0.172 0.000 1.070 312 M CA 1.922 57.069 55.300 -0.255 0.000 1.103 312 M CB -1.114 31.454 32.600 -0.052 0.000 1.321 312 M HN 0.296 nan 8.290 nan 0.000 0.405 313 A N -0.189 122.589 122.820 -0.071 0.000 1.892 313 A HA -0.118 4.202 4.320 0.000 0.000 0.218 313 A C 2.377 179.915 177.584 -0.078 0.000 1.188 313 A CA 2.846 54.857 52.037 -0.044 0.000 0.631 313 A CB -1.319 17.694 19.000 0.023 0.000 0.822 313 A HN 0.628 nan 8.150 nan 0.000 0.447 314 A N -0.792 121.980 122.820 -0.078 0.000 1.892 314 A HA -0.263 4.057 4.320 0.000 0.000 0.218 314 A C 2.484 179.985 177.584 -0.138 0.000 1.188 314 A CA 2.040 54.036 52.037 -0.069 0.000 0.631 314 A CB -1.625 17.340 19.000 -0.059 0.000 0.822 314 A HN 1.125 nan 8.150 nan 0.000 0.447 315 C N -0.836 118.305 119.300 -0.264 0.000 2.388 315 C HA -0.206 4.254 4.460 0.000 0.000 0.277 315 C C 2.685 177.402 174.990 -0.455 0.000 1.210 315 C CA 1.972 60.698 59.018 -0.487 0.000 1.743 315 C CB -1.402 25.862 27.740 -0.793 0.000 2.047 315 C HN 0.641 nan 8.230 nan 0.000 0.458 316 Q N 0.429 120.011 119.800 -0.364 0.000 2.181 316 Q HA -0.116 4.224 4.340 0.000 0.000 0.205 316 Q C 2.268 178.277 176.000 0.015 0.000 0.980 316 Q CA 2.265 58.002 55.803 -0.110 0.000 0.862 316 Q CB -1.274 27.403 28.738 -0.102 0.000 0.905 316 Q HN 0.784 nan 8.270 nan 0.000 0.429 317 T N 2.072 116.618 114.554 -0.013 0.000 2.588 317 T HA -0.136 4.214 4.350 0.000 0.000 0.261 317 T C 1.799 176.537 174.700 0.062 0.000 1.069 317 T CA 1.651 63.767 62.100 0.026 0.000 1.172 317 T CB -0.361 68.519 68.868 0.021 0.000 0.863 317 T HN 0.393 nan 8.240 nan 0.000 0.408 318 L N -0.569 120.690 121.223 0.060 0.000 2.465 318 L HA 0.296 4.636 4.340 0.000 0.000 0.224 318 L C 2.021 178.992 176.870 0.169 0.000 1.145 318 L CA 1.144 56.042 54.840 0.098 0.000 0.834 318 L CB -1.486 40.622 42.059 0.082 0.000 0.944 318 L HN 0.199 nan 8.230 nan 0.000 0.451 319 F N 0.785 120.714 119.950 -0.035 0.000 2.102 319 F HA -0.209 4.318 4.527 0.000 0.000 0.298 319 F C 2.608 178.368 175.800 -0.067 0.000 1.105 319 F CA 0.726 58.691 58.000 -0.059 0.000 1.239 319 F CB 0.042 39.000 39.000 -0.070 0.000 0.991 319 F HN 0.304 nan 8.300 nan 0.000 0.474 320 A N 0.154 123.072 122.820 0.162 0.000 1.858 320 A HA -0.229 4.091 4.320 0.000 0.000 0.216 320 A C 1.888 179.492 177.584 0.034 0.000 1.190 320 A CA 1.547 53.618 52.037 0.056 0.000 0.617 320 A CB -1.076 17.957 19.000 0.056 0.000 0.827 320 A HN 0.372 nan 8.150 nan 0.000 0.443 321 I N -0.429 120.184 120.570 0.072 0.000 2.315 321 I HA -0.232 3.938 4.170 0.000 0.000 0.251 321 I C 2.219 178.393 176.117 0.096 0.000 1.125 321 I CA 1.151 62.515 61.300 0.106 0.000 1.392 321 I CB -0.098 37.985 38.000 0.138 0.000 1.065 321 I HN 0.439 nan 8.210 nan 0.000 0.424 322 L N -0.692 120.514 121.223 -0.027 0.000 2.209 322 L HA -0.111 4.229 4.340 0.000 0.000 0.207 322 L C 1.903 178.473 176.870 -0.500 0.000 1.094 322 L CA 1.214 55.845 54.840 -0.350 0.000 0.790 322 L CB -0.406 41.534 42.059 -0.198 0.000 0.932 322 L HN 0.205 nan 8.230 nan 0.000 0.447 323 D N -0.279 119.986 120.400 -0.226 0.000 2.378 323 D HA -0.086 4.554 4.640 0.000 0.000 0.227 323 D C 1.151 177.378 176.300 -0.121 0.000 1.012 323 D CA 0.118 54.004 54.000 -0.190 0.000 0.905 323 D CB 0.257 40.973 40.800 -0.140 0.000 0.895 323 D HN 0.243 nan 8.370 nan 0.000 0.532 324 S N 0.149 115.810 115.700 -0.065 0.000 2.611 324 S HA -0.098 4.372 4.470 0.000 0.000 0.252 324 S C 0.046 174.649 174.600 0.004 0.000 1.369 324 S CA -0.259 57.940 58.200 -0.002 0.000 0.975 324 S CB 0.462 63.689 63.200 0.046 0.000 0.937 324 S HN 0.273 nan 8.310 nan 0.000 0.584 325 E N 1.505 121.676 120.200 -0.048 0.000 2.167 325 E HA 0.210 4.560 4.350 0.000 0.000 0.284 325 E C -0.780 175.779 176.600 -0.068 0.000 1.016 325 E CA -0.789 55.581 56.400 -0.048 0.000 0.817 325 E CB 0.489 30.150 29.700 -0.065 0.000 1.080 325 E HN 0.383 nan 8.360 nan 0.000 0.397 326 Q N 3.243 123.040 119.800 -0.005 0.000 2.371 326 Q HA -0.055 4.285 4.340 0.000 0.000 0.254 326 Q C -0.044 175.919 176.000 -0.062 0.000 1.264 326 Q CA 0.539 56.325 55.803 -0.028 0.000 0.904 326 Q CB 0.220 28.969 28.738 0.018 0.000 1.507 326 Q HN 0.704 nan 8.270 nan 0.000 0.495 327 E N 1.521 121.655 120.200 -0.110 0.000 2.501 327 E HA -0.167 4.183 4.350 0.000 0.000 0.203 327 E C -0.028 176.552 176.600 -0.033 0.000 1.072 327 E CA 0.536 56.892 56.400 -0.073 0.000 0.885 327 E CB -0.031 29.617 29.700 -0.086 0.000 0.813 327 E HN 0.396 nan 8.360 nan 0.000 0.556 328 K N 1.411 121.793 120.400 -0.031 0.000 2.333 328 K HA 0.182 4.502 4.320 0.000 0.000 0.241 328 K C -0.963 175.630 176.600 -0.012 0.000 1.193 328 K CA -0.478 55.799 56.287 -0.017 0.000 1.142 328 K CB 0.271 32.761 32.500 -0.015 0.000 1.731 328 K HN -0.207 nan 8.250 nan 0.000 0.344 329 D N 2.175 122.570 120.400 -0.008 0.000 2.449 329 D HA 0.023 4.664 4.640 0.000 0.000 0.236 329 D C -0.004 176.295 176.300 -0.003 0.000 1.149 329 D CA 0.538 54.535 54.000 -0.004 0.000 0.878 329 D CB 0.621 41.422 40.800 0.002 0.000 1.198 329 D HN 0.349 nan 8.370 nan 0.000 0.446 330 E N 0.048 120.246 120.200 -0.002 0.000 2.256 330 E HA 0.544 4.894 4.350 0.000 0.000 0.267 330 E C 0.417 177.017 176.600 -0.001 0.000 0.892 330 E CA -0.814 55.585 56.400 -0.001 0.000 0.775 330 E CB 2.088 31.786 29.700 -0.003 0.000 1.207 330 E HN 0.452 nan 8.360 nan 0.000 0.420 331 G N 0.888 109.690 108.800 0.004 0.000 3.365 331 G HA2 0.315 4.275 3.960 0.000 0.000 0.185 331 G HA3 0.315 4.275 3.960 0.000 0.000 0.185 331 G C 0.355 175.244 174.900 -0.019 0.000 1.565 331 G CA 0.157 45.254 45.100 -0.005 0.000 0.984 331 G HN 0.405 nan 8.290 nan 0.000 0.604 332 K N -1.475 118.902 120.400 -0.038 0.000 3.105 332 K HA 0.153 4.473 4.320 0.000 0.000 0.209 332 K C 0.447 177.006 176.600 -0.067 0.000 1.828 332 K CA -0.438 55.819 56.287 -0.050 0.000 1.382 332 K CB 0.537 32.998 32.500 -0.065 0.000 2.153 332 K HN 0.088 nan 8.250 nan 0.000 0.588 333 R N 2.434 122.844 120.500 -0.150 0.000 2.473 333 R HA 0.086 4.426 4.340 0.000 0.000 0.315 333 R C -0.516 175.775 176.300 -0.016 0.000 0.972 333 R CA 0.027 56.000 56.100 -0.212 0.000 1.047 333 R CB 0.654 30.613 30.300 -0.568 0.000 0.932 333 R HN -0.038 nan 8.270 nan 0.000 0.411 334 V N 6.431 126.369 119.914 0.039 0.000 2.328 334 V HA 0.344 4.465 4.120 0.000 0.000 0.278 334 V C -0.540 175.635 176.094 0.135 0.000 1.021 334 V CA -0.853 61.517 62.300 0.117 0.000 0.838 334 V CB 1.118 32.970 31.823 0.049 0.000 0.999 334 V HN 0.564 nan 8.190 nan 0.000 0.447 335 I N 5.005 125.703 120.570 0.212 0.000 2.607 335 I HA 0.546 4.716 4.170 0.000 0.000 0.305 335 I C 0.608 176.752 176.117 0.046 0.000 0.995 335 I CA 0.155 61.545 61.300 0.151 0.000 1.148 335 I CB 2.259 40.410 38.000 0.251 0.000 1.323 335 I HN 0.794 nan 8.210 nan 0.000 0.461 336 D N 2.709 123.129 120.400 0.034 0.000 2.470 336 D HA 0.087 4.727 4.640 0.000 0.000 0.238 336 D C 0.586 176.888 176.300 0.003 0.000 1.054 336 D CA 0.126 54.133 54.000 0.012 0.000 0.896 336 D CB 0.307 41.116 40.800 0.015 0.000 1.118 336 D HN 0.317 nan 8.370 nan 0.000 0.497 337 R N 0.136 120.645 120.500 0.015 0.000 2.528 337 R HA 0.672 5.012 4.340 0.000 0.000 0.271 337 R C -0.384 175.915 176.300 -0.002 0.000 1.056 337 R CA 0.256 56.362 56.100 0.010 0.000 1.117 337 R CB 1.217 31.531 30.300 0.024 0.000 1.085 337 R HN -0.033 nan 8.270 nan 0.000 0.530 338 A N 1.893 124.707 122.820 -0.010 0.000 2.596 338 A HA 0.145 4.465 4.320 0.000 0.000 0.276 338 A C -0.175 177.398 177.584 -0.017 0.000 0.962 338 A CA 0.212 52.233 52.037 -0.027 0.000 1.010 338 A CB -0.494 18.471 19.000 -0.058 0.000 1.220 338 A HN 0.836 nan 8.150 nan 0.000 0.549 339 T N 1.122 115.675 114.554 -0.002 0.000 2.240 339 T HA -0.014 4.336 4.350 0.000 0.000 0.188 339 T C 0.918 175.612 174.700 -0.009 0.000 1.092 339 T CA 0.988 63.088 62.100 -0.001 0.000 1.595 339 T CB -0.644 68.231 68.868 0.011 0.000 1.014 339 T HN 1.172 nan 8.240 nan 0.000 0.439 340 G N 4.408 113.197 108.800 -0.019 0.000 2.843 340 G HA2 0.179 4.139 3.960 0.000 0.000 0.275 340 G HA3 0.179 4.139 3.960 0.000 0.000 0.275 340 G C 0.135 175.022 174.900 -0.022 0.000 0.709 340 G CA -0.453 44.629 45.100 -0.030 0.000 2.089 340 G HN 0.878 nan 8.290 nan 0.000 0.571 341 D N 1.657 122.051 120.400 -0.011 0.000 2.563 341 D HA 0.146 4.786 4.640 0.000 0.000 0.222 341 D C 0.584 176.882 176.300 -0.004 0.000 1.145 341 D CA -0.512 53.488 54.000 0.000 0.000 1.001 341 D CB 0.099 40.907 40.800 0.014 0.000 1.049 341 D HN 0.290 nan 8.370 nan 0.000 0.515 342 L N 2.256 123.463 121.223 -0.026 0.000 2.367 342 L HA 0.394 4.734 4.340 0.000 0.000 0.275 342 L C -0.736 176.128 176.870 -0.010 0.000 1.129 342 L CA 0.030 54.837 54.840 -0.056 0.000 0.839 342 L CB 0.381 42.374 42.059 -0.110 0.000 1.133 342 L HN 0.260 nan 8.230 nan 0.000 0.453 343 E N 6.732 126.944 120.200 0.021 0.000 2.347 343 E HA 0.417 4.767 4.350 0.000 0.000 0.285 343 E C -1.632 175.138 176.600 0.283 0.000 0.925 343 E CA -0.492 55.992 56.400 0.140 0.000 0.779 343 E CB 1.894 31.656 29.700 0.103 0.000 1.233 343 E HN 0.588 nan 8.360 nan 0.000 0.414 344 F N -0.409 119.563 119.950 0.037 0.000 2.604 344 F HA 0.753 5.280 4.527 0.000 0.000 0.316 344 F C -1.287 174.543 175.800 0.050 0.000 1.136 344 F CA -1.290 56.743 58.000 0.054 0.000 0.989 344 F CB 1.344 40.374 39.000 0.050 0.000 1.258 344 F HN 0.168 nan 8.300 nan 0.000 0.451 345 R N 1.976 122.511 120.500 0.059 0.000 2.664 345 R HA 0.337 4.677 4.340 0.000 0.000 0.286 345 R C -0.234 176.025 176.300 -0.068 0.000 0.967 345 R CA -0.842 55.224 56.100 -0.057 0.000 0.933 345 R CB 0.834 31.130 30.300 -0.007 0.000 1.146 345 R HN 0.892 nan 8.270 nan 0.000 0.468 346 N N -1.354 117.281 118.700 -0.108 0.000 2.685 346 N HA -0.194 4.546 4.740 0.000 0.000 0.251 346 N C -0.990 174.494 175.510 -0.043 0.000 1.020 346 N CA 0.762 53.769 53.050 -0.070 0.000 0.762 346 N CB -1.681 36.791 38.487 -0.026 0.000 0.958 346 N HN 0.268 nan 8.380 nan 0.000 0.539 347 V N -0.267 119.585 119.914 -0.105 0.000 2.470 347 V HA 0.265 4.385 4.120 0.000 0.000 0.276 347 V C 0.965 177.059 176.094 0.001 0.000 1.040 347 V CA -0.014 62.272 62.300 -0.023 0.000 1.008 347 V CB 0.973 32.776 31.823 -0.032 0.000 0.990 347 V HN 0.452 nan 8.190 nan 0.000 0.477 348 T N 5.778 120.367 114.554 0.059 0.000 2.925 348 T HA 0.737 5.087 4.350 0.000 0.000 0.285 348 T C -0.895 173.902 174.700 0.162 0.000 1.021 348 T CA -0.263 61.881 62.100 0.073 0.000 1.042 348 T CB 1.516 70.406 68.868 0.036 0.000 1.037 348 T HN 0.495 nan 8.240 nan 0.000 0.481 349 F N 0.813 120.740 119.950 -0.039 0.000 2.650 349 F HA 0.579 5.106 4.527 0.000 0.000 0.310 349 F C -0.666 175.078 175.800 -0.093 0.000 1.112 349 F CA -0.359 57.595 58.000 -0.077 0.000 0.986 349 F CB 2.048 40.980 39.000 -0.113 0.000 1.285 349 F HN 0.607 nan 8.300 nan 0.000 0.440 350 T N 3.195 117.205 114.554 -0.906 0.000 2.864 350 T HA 0.487 4.837 4.350 0.000 0.000 0.299 350 T C -0.515 173.630 174.700 -0.926 0.000 1.166 350 T CA -0.111 61.676 62.100 -0.521 0.000 1.007 350 T CB 1.018 69.742 68.868 -0.241 0.000 1.219 350 T HN 0.565 nan 8.240 nan 0.000 0.506 351 Y N 1.737 121.875 120.300 -0.269 0.000 2.788 351 Y HA 0.331 4.881 4.550 0.000 0.000 0.224 351 Y C -1.476 174.399 175.900 -0.041 0.000 0.961 351 Y CA -0.124 57.913 58.100 -0.105 0.000 1.023 351 Y CB -0.617 37.864 38.460 0.035 0.000 1.053 351 Y HN 0.416 nan 8.280 nan 0.000 0.465 352 P HA 0.131 nan 4.420 nan 0.000 0.263 352 P C 0.399 177.729 177.300 0.050 0.000 1.601 352 P CA 1.014 64.191 63.100 0.129 0.000 1.161 352 P CB 0.169 31.946 31.700 0.127 0.000 1.730 353 G N 3.857 112.658 108.800 0.002 0.000 3.282 353 G HA2 -0.376 3.584 3.960 0.000 0.000 0.367 353 G HA3 -0.376 3.584 3.960 0.000 0.000 0.367 353 G C 0.668 175.552 174.900 -0.028 0.000 1.377 353 G CA 0.047 45.131 45.100 -0.026 0.000 1.254 353 G HN 0.595 nan 8.290 nan 0.000 0.717 354 R N 2.534 123.031 120.500 -0.006 0.000 2.408 354 R HA 0.473 4.813 4.340 0.000 0.000 0.308 354 R C 0.081 176.383 176.300 0.004 0.000 1.210 354 R CA 0.673 56.770 56.100 -0.004 0.000 1.115 354 R CB -0.163 30.137 30.300 0.001 0.000 1.127 354 R HN 0.745 nan 8.270 nan 0.000 0.523 355 E N 0.560 120.761 120.200 0.001 0.000 1.980 355 E HA 0.213 4.563 4.350 0.000 0.000 0.139 355 E C -1.655 174.951 176.600 0.008 0.000 1.408 355 E CA -0.761 55.646 56.400 0.011 0.000 0.911 355 E CB 1.007 30.723 29.700 0.026 0.000 2.060 355 E HN 0.139 nan 8.360 nan 0.000 0.556 356 V N 2.320 122.246 119.914 0.020 0.000 2.444 356 V HA 0.486 4.606 4.120 0.000 0.000 0.294 356 V C -2.631 173.485 176.094 0.036 0.000 1.022 356 V CA -2.182 60.131 62.300 0.021 0.000 0.850 356 V CB 1.321 33.158 31.823 0.024 0.000 0.992 356 V HN 0.381 nan 8.190 nan 0.000 0.426 357 P HA 0.060 nan 4.420 nan 0.000 0.259 357 P C 0.273 177.626 177.300 0.089 0.000 1.163 357 P CA 0.683 63.806 63.100 0.037 0.000 0.760 357 P CB 0.808 32.522 31.700 0.023 0.000 0.762 358 A N 3.924 126.839 122.820 0.158 0.000 2.275 358 A HA 0.232 4.552 4.320 0.000 0.000 0.212 358 A C 0.420 178.104 177.584 0.167 0.000 1.201 358 A CA 0.559 52.715 52.037 0.198 0.000 0.843 358 A CB -0.158 19.059 19.000 0.361 0.000 0.873 358 A HN 0.501 nan 8.150 nan 0.000 0.492 359 L N 0.107 121.424 121.223 0.156 0.000 2.562 359 L HA 0.376 4.716 4.340 0.000 0.000 0.266 359 L C -0.022 176.899 176.870 0.086 0.000 0.949 359 L CA -0.565 54.344 54.840 0.115 0.000 0.879 359 L CB 2.054 44.189 42.059 0.127 0.000 1.278 359 L HN 0.254 nan 8.230 nan 0.000 0.404 360 R N 0.909 121.435 120.500 0.044 0.000 2.596 360 R HA 0.366 4.706 4.340 0.000 0.000 0.216 360 R C 0.052 176.349 176.300 -0.005 0.000 1.348 360 R CA -1.038 55.075 56.100 0.023 0.000 1.009 360 R CB 0.354 30.663 30.300 0.015 0.000 1.947 360 R HN 0.481 nan 8.270 nan 0.000 0.526 361 N N 2.091 120.781 118.700 -0.015 0.000 2.380 361 N HA -0.034 4.706 4.740 0.000 0.000 0.292 361 N C -0.743 174.721 175.510 -0.077 0.000 1.302 361 N CA 0.794 53.820 53.050 -0.040 0.000 1.007 361 N CB 0.078 38.548 38.487 -0.028 0.000 1.408 361 N HN 0.221 nan 8.380 nan 0.000 0.487 362 I N 2.603 123.089 120.570 -0.140 0.000 2.389 362 I HA 0.251 4.421 4.170 0.000 0.000 0.288 362 I C 0.038 175.918 176.117 -0.396 0.000 0.999 362 I CA -0.574 60.590 61.300 -0.227 0.000 1.129 362 I CB 1.227 39.085 38.000 -0.236 0.000 1.288 362 I HN 0.185 nan 8.210 nan 0.000 0.444 363 N N 7.006 125.538 118.700 -0.280 0.000 2.321 363 N HA 0.726 5.466 4.740 0.000 0.000 0.299 363 N C -1.153 174.255 175.510 -0.169 0.000 1.048 363 N CA -0.593 52.306 53.050 -0.252 0.000 0.836 363 N CB 3.197 41.615 38.487 -0.114 0.000 1.269 363 N HN 0.351 nan 8.380 nan 0.000 0.486 364 L N 0.783 121.963 121.223 -0.071 0.000 2.643 364 L HA 0.385 4.725 4.340 0.000 0.000 0.256 364 L C -1.726 175.317 176.870 0.287 0.000 0.931 364 L CA -0.456 54.476 54.840 0.153 0.000 0.895 364 L CB 1.907 44.138 42.059 0.287 0.000 1.430 364 L HN 0.553 nan 8.230 nan 0.000 0.419 365 K N 4.650 125.152 120.400 0.169 0.000 2.443 365 K HA 0.709 5.029 4.320 0.000 0.000 0.252 365 K C -1.631 175.017 176.600 0.081 0.000 0.933 365 K CA -0.522 55.841 56.287 0.127 0.000 0.792 365 K CB 1.404 33.953 32.500 0.082 0.000 1.185 365 K HN 0.685 nan 8.250 nan 0.000 0.425 366 I N 6.303 126.905 120.570 0.052 0.000 2.555 366 I HA 0.268 4.438 4.170 0.000 0.000 0.275 366 I C -2.347 173.776 176.117 0.010 0.000 1.082 366 I CA -2.358 58.956 61.300 0.023 0.000 1.167 366 I CB 1.497 39.498 38.000 -0.000 0.000 1.312 366 I HN 0.359 nan 8.210 nan 0.000 0.493 367 P HA 0.077 nan 4.420 nan 0.000 0.271 367 P C 0.066 177.368 177.300 0.003 0.000 1.218 367 P CA -0.166 62.939 63.100 0.009 0.000 0.780 367 P CB 0.684 32.390 31.700 0.011 0.000 0.901 368 A N 3.133 125.953 122.820 0.001 0.000 2.609 368 A HA 0.293 4.613 4.320 0.000 0.000 0.232 368 A C 1.750 179.333 177.584 -0.002 0.000 1.041 368 A CA 1.116 53.152 52.037 -0.003 0.000 0.753 368 A CB -1.509 17.490 19.000 -0.001 0.000 0.966 368 A HN 0.890 nan 8.150 nan 0.000 0.510 369 G N 1.565 110.362 108.800 -0.004 0.000 2.435 369 G HA2 -0.306 3.654 3.960 0.000 0.000 0.245 369 G HA3 -0.306 3.654 3.960 0.000 0.000 0.245 369 G C 0.545 175.444 174.900 -0.002 0.000 1.073 369 G CA 0.993 46.091 45.100 -0.003 0.000 0.638 369 G HN 0.946 nan 8.290 nan 0.000 0.521 370 K N 1.064 121.464 120.400 -0.000 0.000 2.258 370 K HA 0.468 4.788 4.320 0.000 0.000 0.264 370 K C -0.333 176.268 176.600 0.002 0.000 1.007 370 K CA 0.605 56.894 56.287 0.002 0.000 0.941 370 K CB 0.539 33.042 32.500 0.005 0.000 0.966 370 K HN 0.152 nan 8.250 nan 0.000 0.480 371 T N 1.687 116.244 114.554 0.004 0.000 2.809 371 T HA 0.279 4.629 4.350 0.000 0.000 0.296 371 T C -0.573 174.134 174.700 0.011 0.000 1.015 371 T CA -0.689 61.414 62.100 0.005 0.000 0.954 371 T CB 0.876 69.746 68.868 0.005 0.000 0.950 371 T HN 0.150 nan 8.240 nan 0.000 0.450 372 V N 2.777 122.699 119.914 0.013 0.000 2.435 372 V HA 0.823 4.943 4.120 0.000 0.000 0.290 372 V C 0.295 176.405 176.094 0.026 0.000 1.030 372 V CA -0.898 61.417 62.300 0.024 0.000 0.881 372 V CB 1.469 33.311 31.823 0.031 0.000 0.983 372 V HN 1.024 nan 8.190 nan 0.000 0.445 373 A N 5.362 128.205 122.820 0.037 0.000 2.320 373 A HA 0.876 5.196 4.320 0.000 0.000 0.334 373 A C -1.015 176.600 177.584 0.051 0.000 1.147 373 A CA -0.623 51.439 52.037 0.041 0.000 0.820 373 A CB 1.126 20.158 19.000 0.052 0.000 1.218 373 A HN 0.645 nan 8.150 nan 0.000 0.482 374 L N 2.736 123.981 121.223 0.037 0.000 2.342 374 L HA 0.520 4.860 4.340 0.000 0.000 0.276 374 L C -0.882 176.003 176.870 0.024 0.000 0.997 374 L CA -0.158 54.705 54.840 0.037 0.000 0.838 374 L CB 0.776 42.848 42.059 0.023 0.000 1.224 374 L HN 0.503 nan 8.230 nan 0.000 0.416 375 V N 1.706 121.655 119.914 0.058 0.000 2.876 375 V HA 1.025 5.145 4.120 0.000 0.000 0.312 375 V C 0.252 176.395 176.094 0.082 0.000 1.085 375 V CA -0.558 61.780 62.300 0.063 0.000 0.945 375 V CB 2.018 33.891 31.823 0.083 0.000 1.017 375 V HN 0.895 nan 8.190 nan 0.000 0.428 376 G N 1.994 110.860 108.800 0.110 0.000 2.342 376 G HA2 0.397 4.357 3.960 0.000 0.000 0.297 376 G HA3 0.397 4.357 3.960 0.000 0.000 0.297 376 G C -1.498 173.496 174.900 0.156 0.000 1.313 376 G CA -1.133 44.030 45.100 0.105 0.000 0.830 376 G HN 0.564 nan 8.290 nan 0.000 0.506 377 R N 0.178 120.738 120.500 0.099 0.000 2.590 377 R HA 0.331 4.671 4.340 0.000 0.000 0.274 377 R C 0.884 177.261 176.300 0.128 0.000 1.061 377 R CA 0.318 56.471 56.100 0.088 0.000 1.081 377 R CB 0.904 31.230 30.300 0.043 0.000 0.984 377 R HN 0.482 nan 8.270 nan 0.000 0.448 378 S N 1.683 117.466 115.700 0.137 0.000 3.106 378 S HA 0.096 4.566 4.470 0.000 0.000 0.304 378 S C 0.871 175.518 174.600 0.079 0.000 1.118 378 S CA 0.807 59.105 58.200 0.163 0.000 1.403 378 S CB -0.655 62.618 63.200 0.122 0.000 1.555 378 S HN 0.840 nan 8.310 nan 0.000 0.584 379 G N 2.053 110.893 108.800 0.066 0.000 3.859 379 G HA2 -0.048 3.912 3.960 0.000 0.000 0.220 379 G HA3 -0.048 3.912 3.960 0.000 0.000 0.220 379 G C 0.073 175.000 174.900 0.045 0.000 0.892 379 G CA 0.092 45.217 45.100 0.042 0.000 0.858 379 G HN 0.796 nan 8.290 nan 0.000 0.625 380 S N 0.361 116.092 115.700 0.052 0.000 2.601 380 S HA 0.496 4.966 4.470 0.000 0.000 0.271 380 S C 1.681 176.312 174.600 0.050 0.000 1.305 380 S CA 0.722 58.953 58.200 0.052 0.000 1.022 380 S CB 1.043 64.275 63.200 0.054 0.000 0.940 380 S HN 1.197 nan 8.310 nan 0.000 0.525 381 G N 3.176 112.012 108.800 0.061 0.000 2.975 381 G HA2 -0.105 3.855 3.960 0.000 0.000 0.201 381 G HA3 -0.105 3.855 3.960 0.000 0.000 0.201 381 G C 1.028 175.954 174.900 0.043 0.000 1.191 381 G CA 0.310 45.449 45.100 0.065 0.000 0.913 381 G HN 0.799 nan 8.290 nan 0.000 0.505 382 K N 0.299 120.715 120.400 0.027 0.000 1.970 382 K HA -0.137 4.183 4.320 0.000 0.000 0.225 382 K C 2.768 179.369 176.600 0.000 0.000 1.045 382 K CA 1.720 58.010 56.287 0.006 0.000 1.002 382 K CB -0.483 31.996 32.500 -0.035 0.000 0.743 382 K HN 0.223 nan 8.250 nan 0.000 0.445 383 S N 0.483 116.175 115.700 -0.015 0.000 2.407 383 S HA -0.193 4.277 4.470 0.000 0.000 0.235 383 S C 1.950 176.555 174.600 0.008 0.000 1.036 383 S CA 1.865 60.059 58.200 -0.010 0.000 1.013 383 S CB -0.517 62.672 63.200 -0.019 0.000 0.820 383 S HN 0.380 nan 8.310 nan 0.000 0.476 384 T N 2.468 117.033 114.554 0.018 0.000 2.614 384 T HA -0.039 4.311 4.350 0.000 0.000 0.263 384 T C 1.767 176.418 174.700 -0.082 0.000 1.055 384 T CA 1.406 63.503 62.100 -0.006 0.000 1.162 384 T CB -0.486 68.405 68.868 0.039 0.000 0.863 384 T HN 0.506 nan 8.240 nan 0.000 0.414 385 I N 1.114 121.663 120.570 -0.035 0.000 2.208 385 I HA -0.189 3.981 4.170 0.000 0.000 0.245 385 I C 2.609 178.717 176.117 -0.015 0.000 1.097 385 I CA 1.565 62.863 61.300 -0.003 0.000 1.363 385 I CB -0.566 37.511 38.000 0.128 0.000 1.051 385 I HN 0.254 nan 8.210 nan 0.000 0.413 386 A N 1.282 124.104 122.820 0.003 0.000 1.881 386 A HA -0.339 3.981 4.320 0.000 0.000 0.219 386 A C 2.465 180.083 177.584 0.056 0.000 1.215 386 A CA 3.152 55.196 52.037 0.011 0.000 0.648 386 A CB -1.382 17.626 19.000 0.014 0.000 0.832 386 A HN 0.711 nan 8.150 nan 0.000 0.455 387 S N -0.905 114.858 115.700 0.104 0.000 2.461 387 S HA 0.098 4.568 4.470 0.000 0.000 0.228 387 S C 1.784 176.580 174.600 0.327 0.000 1.005 387 S CA 0.968 59.352 58.200 0.306 0.000 0.942 387 S CB -0.427 62.907 63.200 0.223 0.000 0.776 387 S HN 0.431 nan 8.310 nan 0.000 0.514 388 L N 0.302 121.566 121.223 0.068 0.000 2.291 388 L HA 0.085 4.425 4.340 0.000 0.000 0.214 388 L C 2.045 178.891 176.870 -0.040 0.000 1.120 388 L CA 0.717 55.534 54.840 -0.039 0.000 0.799 388 L CB -0.295 41.610 42.059 -0.256 0.000 0.925 388 L HN 0.260 nan 8.230 nan 0.000 0.446 389 I N -0.258 120.267 120.570 -0.075 0.000 2.099 389 I HA -0.305 3.865 4.170 0.000 0.000 0.239 389 I C 2.104 178.143 176.117 -0.129 0.000 1.066 389 I CA 1.957 63.167 61.300 -0.151 0.000 1.324 389 I CB -0.556 37.339 38.000 -0.174 0.000 1.037 389 I HN 0.327 nan 8.210 nan 0.000 0.401 390 T N -1.249 113.225 114.554 -0.132 0.000 3.584 390 T HA 0.091 4.441 4.350 0.000 0.000 0.252 390 T C 1.222 175.696 174.700 -0.376 0.000 1.103 390 T CA 0.023 61.953 62.100 -0.284 0.000 0.977 390 T CB -0.619 68.002 68.868 -0.410 0.000 1.044 390 T HN 0.336 nan 8.240 nan 0.000 0.589 391 R N -1.546 118.856 120.500 -0.164 0.000 4.018 391 R HA -0.238 4.102 4.340 0.000 0.000 0.412 391 R C 0.557 176.854 176.300 -0.007 0.000 1.112 391 R CA 1.216 57.268 56.100 -0.081 0.000 1.358 391 R CB -2.336 27.903 30.300 -0.102 0.000 1.925 391 R HN 0.520 nan 8.270 nan 0.000 0.561 392 F N -1.344 118.625 119.950 0.031 0.000 2.269 392 F HA -0.280 4.247 4.527 0.000 0.000 0.300 392 F C 1.334 176.979 175.800 -0.258 0.000 1.035 392 F CA 1.935 59.908 58.000 -0.046 0.000 1.373 392 F CB -0.279 38.769 39.000 0.080 0.000 1.094 392 F HN 0.246 nan 8.300 nan 0.000 0.535 393 Y N -1.932 118.500 120.300 0.220 0.000 2.830 393 Y HA 0.176 4.726 4.550 0.000 0.000 0.255 393 Y C 0.276 176.317 175.900 0.235 0.000 1.130 393 Y CA -1.256 56.991 58.100 0.246 0.000 1.217 393 Y CB -0.451 38.177 38.460 0.280 0.000 1.296 393 Y HN -0.111 nan 8.280 nan 0.000 0.571 394 D N 1.404 121.938 120.400 0.224 0.000 2.859 394 D HA -0.285 4.355 4.640 0.000 0.000 0.225 394 D C 0.402 176.820 176.300 0.197 0.000 1.168 394 D CA 1.750 55.843 54.000 0.155 0.000 0.665 394 D CB -0.721 40.135 40.800 0.094 0.000 1.059 394 D HN 0.533 nan 8.370 nan 0.000 0.418 395 I N -2.201 118.564 120.570 0.326 0.000 9.256 395 I HA -0.356 3.814 4.170 0.000 0.000 0.140 395 I C 0.617 176.923 176.117 0.315 0.000 1.871 395 I CA 1.122 62.662 61.300 0.401 0.000 2.039 395 I CB 0.148 38.272 38.000 0.206 0.000 3.985 395 I HN 0.055 nan 8.210 nan 0.000 0.170 396 D N 1.446 121.997 120.400 0.252 0.000 3.161 396 D HA 0.186 4.826 4.640 0.000 0.000 0.287 396 D C -0.218 176.095 176.300 0.022 0.000 1.343 396 D CA 1.151 55.142 54.000 -0.016 0.000 1.070 396 D CB 0.552 41.266 40.800 -0.144 0.000 1.188 396 D HN 0.480 nan 8.370 nan 0.000 0.409 397 E N -0.181 120.055 120.200 0.060 0.000 2.522 397 E HA 0.486 4.836 4.350 0.000 0.000 0.315 397 E C -0.588 176.057 176.600 0.075 0.000 0.917 397 E CA -0.124 56.305 56.400 0.048 0.000 0.796 397 E CB 0.938 30.654 29.700 0.028 0.000 1.323 397 E HN 0.381 nan 8.360 nan 0.000 0.397 398 G N 3.052 111.907 108.800 0.090 0.000 2.334 398 G HA2 0.144 4.104 3.960 0.000 0.000 0.249 398 G HA3 0.144 4.104 3.960 0.000 0.000 0.249 398 G C -1.769 173.251 174.900 0.199 0.000 1.327 398 G CA -0.827 44.380 45.100 0.178 0.000 0.979 398 G HN 0.469 nan 8.290 nan 0.000 0.471 399 H N -0.746 118.371 119.070 0.079 0.000 2.934 399 H HA 0.671 5.227 4.556 0.000 0.000 0.340 399 H C -0.591 174.848 175.328 0.186 0.000 1.008 399 H CA -0.325 55.789 56.048 0.110 0.000 1.317 399 H CB 1.542 31.351 29.762 0.079 0.000 1.670 399 H HN 0.514 nan 8.280 nan 0.000 0.516 400 I N 5.365 126.089 120.570 0.257 0.000 2.411 400 I HA 0.306 4.476 4.170 0.000 0.000 0.284 400 I C -0.821 175.399 176.117 0.171 0.000 1.012 400 I CA -0.692 60.774 61.300 0.276 0.000 1.119 400 I CB 0.999 39.120 38.000 0.201 0.000 1.261 400 I HN 0.323 nan 8.210 nan 0.000 0.448 401 L N 3.853 125.177 121.223 0.168 0.000 2.385 401 L HA 0.699 5.040 4.340 0.000 0.000 0.273 401 L C -0.698 176.238 176.870 0.110 0.000 0.990 401 L CA -0.834 54.097 54.840 0.151 0.000 0.821 401 L CB 2.162 44.315 42.059 0.157 0.000 1.279 401 L HN 0.633 nan 8.230 nan 0.000 0.412 402 M N 4.183 123.870 119.600 0.145 0.000 2.206 402 M HA 0.294 4.774 4.480 0.000 0.000 0.353 402 M C -1.020 175.392 176.300 0.187 0.000 1.242 402 M CA 0.478 55.831 55.300 0.089 0.000 1.179 402 M CB -0.345 32.237 32.600 -0.031 0.000 1.374 402 M HN 0.860 nan 8.290 nan 0.000 0.427 403 D N 3.962 124.426 120.400 0.105 0.000 2.800 403 D HA -0.116 4.524 4.640 0.000 0.000 0.248 403 D C 0.860 177.157 176.300 -0.006 0.000 1.091 403 D CA 1.638 55.691 54.000 0.088 0.000 0.746 403 D CB -1.339 39.558 40.800 0.161 0.000 1.062 403 D HN 1.115 nan 8.370 nan 0.000 0.431 404 G N -0.357 108.416 108.800 -0.046 0.000 2.412 404 G HA2 -0.384 3.576 3.960 0.000 0.000 0.252 404 G HA3 -0.384 3.576 3.960 0.000 0.000 0.252 404 G C 0.222 175.006 174.900 -0.193 0.000 1.038 404 G CA 0.737 45.737 45.100 -0.166 0.000 0.628 404 G HN 0.651 nan 8.290 nan 0.000 0.531 405 H N 1.586 120.717 119.070 0.102 0.000 2.517 405 H HA 0.405 4.961 4.556 0.000 0.000 0.317 405 H C -0.064 175.351 175.328 0.146 0.000 1.080 405 H CA -0.387 55.696 56.048 0.057 0.000 1.301 405 H CB 1.280 30.968 29.762 -0.123 0.000 1.425 405 H HN 0.400 nan 8.280 nan 0.000 0.471 406 D N 2.065 122.596 120.400 0.218 0.000 2.382 406 D HA -0.077 4.563 4.640 0.000 0.000 0.240 406 D C 1.160 177.585 176.300 0.207 0.000 1.146 406 D CA -0.438 53.672 54.000 0.183 0.000 0.897 406 D CB 1.353 42.224 40.800 0.119 0.000 1.197 406 D HN 0.242 nan 8.370 nan 0.000 0.432 407 L N 3.426 124.748 121.223 0.164 0.000 2.051 407 L HA -0.222 4.118 4.340 0.000 0.000 0.214 407 L C 2.581 179.533 176.870 0.137 0.000 1.076 407 L CA 1.711 56.643 54.840 0.153 0.000 0.758 407 L CB -0.835 41.260 42.059 0.061 0.000 0.890 407 L HN 0.426 nan 8.230 nan 0.000 0.433 408 R N -0.184 120.362 120.500 0.075 0.000 2.080 408 R HA -0.148 4.192 4.340 0.000 0.000 0.236 408 R C 2.194 178.510 176.300 0.028 0.000 1.137 408 R CA 1.278 57.403 56.100 0.042 0.000 0.943 408 R CB -0.608 29.700 30.300 0.013 0.000 0.846 408 R HN 0.441 nan 8.270 nan 0.000 0.431 409 E N -0.952 119.251 120.200 0.004 0.000 2.169 409 E HA -0.215 4.135 4.350 0.000 0.000 0.202 409 E C -0.074 176.423 176.600 -0.172 0.000 1.016 409 E CA 1.097 57.436 56.400 -0.101 0.000 0.817 409 E CB -0.195 29.416 29.700 -0.149 0.000 0.736 409 E HN 0.245 nan 8.360 nan 0.000 0.462 410 Y N 0.329 120.615 120.300 -0.023 0.000 2.314 410 Y HA 0.050 4.600 4.550 0.000 0.000 0.334 410 Y C 0.789 176.667 175.900 -0.038 0.000 1.266 410 Y CA -0.012 58.065 58.100 -0.038 0.000 1.391 410 Y CB 1.043 39.487 38.460 -0.026 0.000 1.306 410 Y HN -0.261 nan 8.280 nan 0.000 0.558 411 T N 3.550 118.218 114.554 0.189 0.000 2.794 411 T HA 0.114 4.464 4.350 0.000 0.000 0.296 411 T C 1.267 175.999 174.700 0.053 0.000 0.949 411 T CA -0.427 61.722 62.100 0.080 0.000 1.101 411 T CB 0.136 69.037 68.868 0.055 0.000 0.905 411 T HN 0.767 nan 8.240 nan 0.000 0.516 412 L N 5.786 127.019 121.223 0.017 0.000 1.997 412 L HA -0.122 4.218 4.340 0.000 0.000 0.216 412 L C 2.659 179.505 176.870 -0.039 0.000 1.074 412 L CA 2.382 57.209 54.840 -0.022 0.000 0.763 412 L CB -0.922 41.119 42.059 -0.031 0.000 0.890 412 L HN 0.927 nan 8.230 nan 0.000 0.434 413 A N 0.010 122.816 122.820 -0.023 0.000 1.877 413 A HA -0.405 3.915 4.320 0.000 0.000 0.218 413 A C 2.403 179.963 177.584 -0.039 0.000 1.301 413 A CA 3.546 55.567 52.037 -0.027 0.000 0.699 413 A CB -1.598 17.395 19.000 -0.011 0.000 0.844 413 A HN 0.710 nan 8.150 nan 0.000 0.464 414 S N -0.575 115.109 115.700 -0.027 0.000 2.399 414 S HA -0.125 4.345 4.470 0.000 0.000 0.231 414 S C 1.804 176.344 174.600 -0.100 0.000 1.022 414 S CA 1.443 59.616 58.200 -0.046 0.000 0.983 414 S CB -0.704 62.484 63.200 -0.020 0.000 0.803 414 S HN 0.592 nan 8.310 nan 0.000 0.480 415 L N 2.178 123.332 121.223 -0.115 0.000 1.978 415 L HA -0.072 4.268 4.340 0.000 0.000 0.218 415 L C 2.563 179.332 176.870 -0.168 0.000 1.075 415 L CA 1.894 56.620 54.840 -0.190 0.000 0.767 415 L CB -0.771 41.208 42.059 -0.133 0.000 0.890 415 L HN 0.212 nan 8.230 nan 0.000 0.434 416 R N -0.782 119.632 120.500 -0.143 0.000 2.285 416 R HA -0.125 4.215 4.340 0.000 0.000 0.213 416 R C 1.699 177.937 176.300 -0.103 0.000 1.068 416 R CA 0.983 56.994 56.100 -0.148 0.000 1.004 416 R CB -0.491 29.710 30.300 -0.164 0.000 0.873 416 R HN 0.520 nan 8.270 nan 0.000 0.467 417 N N 0.140 118.788 118.700 -0.088 0.000 2.422 417 N HA -0.088 4.652 4.740 0.000 0.000 0.181 417 N C 0.830 176.301 175.510 -0.065 0.000 1.080 417 N CA 0.419 53.434 53.050 -0.059 0.000 0.893 417 N CB 0.404 38.865 38.487 -0.044 0.000 0.973 417 N HN -0.064 nan 8.380 nan 0.000 0.456 418 Q N 0.014 119.753 119.800 -0.101 0.000 2.228 418 Q HA 0.319 4.659 4.340 0.000 0.000 0.211 418 Q C -1.224 174.719 176.000 -0.094 0.000 0.890 418 Q CA -0.107 55.630 55.803 -0.109 0.000 0.953 418 Q CB 0.397 29.029 28.738 -0.176 0.000 1.053 418 Q HN 0.143 nan 8.270 nan 0.000 0.471 419 V N -1.106 118.764 119.914 -0.073 0.000 3.077 419 V HA 0.845 4.965 4.120 0.000 0.000 0.299 419 V C -1.933 174.143 176.094 -0.030 0.000 1.276 419 V CA -0.726 61.539 62.300 -0.058 0.000 0.993 419 V CB 2.060 33.836 31.823 -0.079 0.000 1.076 419 V HN 0.045 nan 8.190 nan 0.000 0.434 420 A N 4.966 127.777 122.820 -0.015 0.000 2.350 420 A HA 0.991 5.311 4.320 0.000 0.000 0.324 420 A C -1.457 176.134 177.584 0.011 0.000 1.118 420 A CA -0.572 51.467 52.037 0.004 0.000 0.783 420 A CB 1.637 20.643 19.000 0.009 0.000 1.236 420 A HN 1.471 nan 8.150 nan 0.000 0.457 421 L N 1.707 122.945 121.223 0.025 0.000 2.424 421 L HA 0.751 5.091 4.340 0.000 0.000 0.258 421 L C -1.362 175.525 176.870 0.029 0.000 0.995 421 L CA -0.335 54.527 54.840 0.037 0.000 0.821 421 L CB 2.531 44.636 42.059 0.076 0.000 1.383 421 L HN 0.420 nan 8.230 nan 0.000 0.410 422 V N 2.929 122.857 119.914 0.023 0.000 2.383 422 V HA 0.312 4.432 4.120 0.000 0.000 0.264 422 V C -0.125 175.975 176.094 0.010 0.000 1.001 422 V CA -0.417 61.890 62.300 0.013 0.000 0.828 422 V CB 0.983 32.811 31.823 0.008 0.000 1.069 422 V HN 0.867 nan 8.190 nan 0.000 0.451 423 S N 2.511 118.219 115.700 0.013 0.000 2.563 423 S HA 0.061 4.531 4.470 0.000 0.000 0.294 423 S C 1.278 175.873 174.600 -0.008 0.000 1.279 423 S CA -0.368 57.833 58.200 0.002 0.000 1.069 423 S CB 1.006 64.203 63.200 -0.006 0.000 0.828 423 S HN 0.671 nan 8.310 nan 0.000 0.497 424 Q N 2.620 122.409 119.800 -0.017 0.000 2.062 424 Q HA -0.292 4.048 4.340 0.000 0.000 0.216 424 Q C 0.525 176.516 176.000 -0.014 0.000 1.052 424 Q CA 2.418 58.209 55.803 -0.021 0.000 0.910 424 Q CB -1.011 27.710 28.738 -0.028 0.000 1.043 424 Q HN 1.085 nan 8.270 nan 0.000 0.425 425 N N 0.062 118.753 118.700 -0.014 0.000 2.425 425 N HA 0.432 5.172 4.740 0.000 0.000 0.268 425 N C -1.220 174.292 175.510 0.004 0.000 0.991 425 N CA -0.603 52.443 53.050 -0.007 0.000 0.931 425 N CB 1.427 39.906 38.487 -0.013 0.000 1.130 425 N HN -0.007 nan 8.380 nan 0.000 0.493 426 V N 1.735 121.656 119.914 0.011 0.000 2.607 426 V HA 0.216 4.336 4.120 0.000 0.000 0.289 426 V C -0.024 176.112 176.094 0.071 0.000 1.053 426 V CA -0.522 61.792 62.300 0.023 0.000 0.996 426 V CB 0.639 32.460 31.823 -0.003 0.000 0.995 426 V HN 0.823 nan 8.190 nan 0.000 0.476 427 H N 3.939 122.976 119.070 -0.056 0.000 2.472 427 H HA 0.765 5.321 4.556 0.000 0.000 0.338 427 H C -0.917 174.336 175.328 -0.125 0.000 1.133 427 H CA -0.547 55.474 56.048 -0.045 0.000 1.216 427 H CB 1.198 30.958 29.762 -0.004 0.000 1.497 427 H HN 0.568 nan 8.280 nan 0.000 0.500 428 L N 3.910 124.882 121.223 -0.419 0.000 2.250 428 L HA 0.465 4.805 4.340 0.000 0.000 0.252 428 L C -0.341 176.293 176.870 -0.392 0.000 1.054 428 L CA -0.868 53.664 54.840 -0.514 0.000 0.856 428 L CB 1.752 43.672 42.059 -0.232 0.000 1.443 428 L HN 0.545 nan 8.230 nan 0.000 0.427 429 F N -0.629 119.126 119.950 -0.325 0.000 2.561 429 F HA 0.321 4.848 4.527 0.000 0.000 0.384 429 F C 0.240 175.924 175.800 -0.193 0.000 1.131 429 F CA -0.776 57.054 58.000 -0.284 0.000 1.133 429 F CB 1.006 39.797 39.000 -0.348 0.000 1.506 429 F HN 0.366 nan 8.300 nan 0.000 0.499 430 N N 0.148 118.885 118.700 0.062 0.000 2.818 430 N HA 0.214 4.954 4.740 0.000 0.000 0.301 430 N C -1.489 174.002 175.510 -0.031 0.000 1.821 430 N CA 0.005 53.056 53.050 0.002 0.000 0.930 430 N CB 0.076 38.566 38.487 0.005 0.000 1.263 430 N HN 0.442 nan 8.380 nan 0.000 0.487 431 D N -1.457 118.903 120.400 -0.065 0.000 2.574 431 D HA 0.407 5.048 4.640 0.000 0.000 0.210 431 D C -0.057 176.218 176.300 -0.041 0.000 1.277 431 D CA 0.020 53.975 54.000 -0.076 0.000 1.121 431 D CB 0.544 41.230 40.800 -0.189 0.000 1.192 431 D HN 0.267 nan 8.370 nan 0.000 0.602 432 T N -1.591 112.943 114.554 -0.034 0.000 2.940 432 T HA 0.420 4.770 4.350 0.000 0.000 0.288 432 T C 1.265 175.954 174.700 -0.018 0.000 1.033 432 T CA -0.767 61.327 62.100 -0.010 0.000 1.033 432 T CB 1.272 70.146 68.868 0.010 0.000 1.079 432 T HN -0.022 nan 8.240 nan 0.000 0.496 433 V N 1.655 121.565 119.914 -0.006 0.000 2.231 433 V HA -0.246 3.874 4.120 0.000 0.000 0.250 433 V C 3.132 179.221 176.094 -0.008 0.000 1.058 433 V CA 2.664 64.960 62.300 -0.007 0.000 1.022 433 V CB -1.758 30.060 31.823 -0.008 0.000 0.640 433 V HN 1.129 nan 8.190 nan 0.000 0.445 434 A N 0.350 123.172 122.820 0.003 0.000 1.894 434 A HA -0.410 3.910 4.320 0.000 0.000 0.220 434 A C 2.038 179.652 177.584 0.051 0.000 1.237 434 A CA 2.974 55.026 52.037 0.025 0.000 0.660 434 A CB -1.203 17.816 19.000 0.032 0.000 0.835 434 A HN 0.747 nan 8.150 nan 0.000 0.461 435 N N -0.400 118.336 118.700 0.059 0.000 2.058 435 N HA -0.156 4.584 4.740 0.000 0.000 0.191 435 N C 1.594 177.124 175.510 0.034 0.000 1.037 435 N CA 1.115 54.239 53.050 0.124 0.000 0.848 435 N CB -0.266 38.272 38.487 0.083 0.000 1.021 435 N HN 0.485 nan 8.380 nan 0.000 0.422 436 N N 0.872 119.507 118.700 -0.109 0.000 2.334 436 N HA -0.139 4.601 4.740 0.000 0.000 0.187 436 N C 1.492 176.947 175.510 -0.091 0.000 1.016 436 N CA 0.977 53.915 53.050 -0.186 0.000 0.879 436 N CB -0.023 38.355 38.487 -0.181 0.000 0.965 436 N HN 0.389 nan 8.380 nan 0.000 0.438 437 I N -0.037 120.528 120.570 -0.009 0.000 2.628 437 I HA -0.011 4.159 4.170 0.000 0.000 0.255 437 I C 2.306 178.467 176.117 0.073 0.000 1.119 437 I CA 0.292 61.607 61.300 0.024 0.000 1.448 437 I CB -0.190 37.830 38.000 0.033 0.000 1.133 437 I HN -0.062 nan 8.210 nan 0.000 0.438 438 A N 0.370 123.255 122.820 0.108 0.000 1.930 438 A HA -0.195 4.125 4.320 0.000 0.000 0.217 438 A C 1.858 179.505 177.584 0.104 0.000 1.175 438 A CA 1.237 53.334 52.037 0.101 0.000 0.627 438 A CB -0.946 18.127 19.000 0.122 0.000 0.815 438 A HN 0.422 nan 8.150 nan 0.000 0.443 439 Y N 0.046 120.331 120.300 -0.026 0.000 2.749 439 Y HA 0.151 4.701 4.550 0.000 0.000 0.321 439 Y C 1.437 177.322 175.900 -0.026 0.000 1.195 439 Y CA -0.014 58.089 58.100 0.006 0.000 1.338 439 Y CB -0.748 37.773 38.460 0.102 0.000 1.017 439 Y HN 0.296 nan 8.280 nan 0.000 0.517 440 A N 0.959 123.811 122.820 0.053 0.000 3.095 440 A HA 0.547 4.867 4.320 0.000 0.000 0.301 440 A C -0.287 177.252 177.584 -0.075 0.000 1.432 440 A CA -0.635 51.408 52.037 0.011 0.000 1.140 440 A CB -0.166 18.859 19.000 0.042 0.000 1.174 440 A HN 0.236 nan 8.150 nan 0.000 0.546 441 R N 0.361 120.790 120.500 -0.118 0.000 2.022 441 R HA -0.130 4.210 4.340 0.000 0.000 0.372 441 R C 0.504 176.545 176.300 -0.433 0.000 1.161 441 R CA 1.100 57.096 56.100 -0.175 0.000 0.928 441 R CB -2.828 27.440 30.300 -0.053 0.000 2.817 441 R HN 1.303 nan 8.270 nan 0.000 0.489 442 T N -0.597 113.755 114.554 -0.336 0.000 6.560 442 T HA -0.188 4.162 4.350 0.000 0.000 0.282 442 T C 0.446 174.971 174.700 -0.291 0.000 2.166 442 T CA 0.985 62.903 62.100 -0.304 0.000 3.676 442 T CB -0.702 67.963 68.868 -0.338 0.000 0.961 442 T HN 0.636 nan 8.240 nan 0.000 0.735 443 E N -0.072 119.924 120.200 -0.340 0.000 3.673 443 E HA -0.134 4.216 4.350 0.000 0.000 0.309 443 E C -0.083 176.402 176.600 -0.192 0.000 0.819 443 E CA 1.794 58.031 56.400 -0.271 0.000 1.111 443 E CB -0.867 28.607 29.700 -0.376 0.000 1.561 443 E HN 0.735 nan 8.360 nan 0.000 0.450 444 E N -0.631 119.429 120.200 -0.233 0.000 2.640 444 E HA 0.346 4.696 4.350 0.000 0.000 0.360 444 E C -1.424 175.147 176.600 -0.049 0.000 1.014 444 E CA -0.319 56.017 56.400 -0.105 0.000 0.757 444 E CB 0.231 29.892 29.700 -0.065 0.000 1.565 444 E HN 0.047 nan 8.360 nan 0.000 0.381 445 Y N -0.097 120.204 120.300 0.003 0.000 2.782 445 Y HA 0.615 5.165 4.550 0.000 0.000 0.329 445 Y C 0.797 176.697 175.900 0.001 0.000 1.192 445 Y CA -1.455 56.645 58.100 0.000 0.000 1.216 445 Y CB 0.763 39.224 38.460 0.001 0.000 1.447 445 Y HN 0.181 nan 8.280 nan 0.000 0.616 446 S N 0.522 116.333 115.700 0.185 0.000 2.584 446 S HA 0.170 4.640 4.470 0.000 0.000 0.273 446 S C 1.096 175.735 174.600 0.065 0.000 1.311 446 S CA -0.603 57.644 58.200 0.078 0.000 1.034 446 S CB 1.097 64.309 63.200 0.020 0.000 0.939 446 S HN 0.515 nan 8.310 nan 0.000 0.513 447 R N 1.642 122.167 120.500 0.042 0.000 2.200 447 R HA -0.111 4.229 4.340 0.000 0.000 0.234 447 R C 1.448 177.755 176.300 0.011 0.000 1.127 447 R CA 1.546 57.662 56.100 0.028 0.000 0.989 447 R CB -0.346 29.963 30.300 0.015 0.000 0.869 447 R HN 0.603 nan 8.270 nan 0.000 0.459 448 E N -0.115 120.086 120.200 0.002 0.000 2.001 448 E HA -0.162 4.188 4.350 0.000 0.000 0.193 448 E C 1.912 178.499 176.600 -0.022 0.000 0.994 448 E CA 1.509 57.900 56.400 -0.016 0.000 0.815 448 E CB -0.291 29.394 29.700 -0.026 0.000 0.770 448 E HN 0.220 nan 8.360 nan 0.000 0.453 449 Q N 0.226 120.004 119.800 -0.036 0.000 2.142 449 Q HA -0.228 4.112 4.340 0.000 0.000 0.213 449 Q C 2.313 178.308 176.000 -0.009 0.000 1.004 449 Q CA 2.316 58.084 55.803 -0.057 0.000 0.883 449 Q CB -0.725 27.930 28.738 -0.137 0.000 0.939 449 Q HN 0.604 nan 8.270 nan 0.000 0.413 450 I N -2.279 118.309 120.570 0.030 0.000 2.233 450 I HA -0.158 4.012 4.170 0.000 0.000 0.243 450 I C 1.935 178.049 176.117 -0.006 0.000 1.093 450 I CA 1.206 62.526 61.300 0.033 0.000 1.380 450 I CB -0.507 37.525 38.000 0.052 0.000 1.067 450 I HN -0.014 nan 8.210 nan 0.000 0.413 451 E N 1.460 121.651 120.200 -0.015 0.000 2.048 451 E HA -0.309 4.041 4.350 0.000 0.000 0.202 451 E C 2.088 178.663 176.600 -0.042 0.000 1.021 451 E CA 2.021 58.399 56.400 -0.037 0.000 0.825 451 E CB -0.491 29.189 29.700 -0.033 0.000 0.756 451 E HN 0.631 nan 8.360 nan 0.000 0.454 452 E N 0.634 120.814 120.200 -0.034 0.000 2.023 452 E HA -0.211 4.139 4.350 0.000 0.000 0.196 452 E C 2.036 178.620 176.600 -0.026 0.000 1.003 452 E CA 1.397 57.777 56.400 -0.033 0.000 0.809 452 E CB -0.185 29.494 29.700 -0.035 0.000 0.755 452 E HN 0.142 nan 8.360 nan 0.000 0.449 453 A N 1.361 124.171 122.820 -0.017 0.000 1.927 453 A HA -0.195 4.125 4.320 0.000 0.000 0.220 453 A C 2.435 180.016 177.584 -0.003 0.000 1.185 453 A CA 2.724 54.760 52.037 -0.002 0.000 0.639 453 A CB -0.848 18.161 19.000 0.015 0.000 0.820 453 A HN 0.442 nan 8.150 nan 0.000 0.451 454 A N -1.006 121.799 122.820 -0.025 0.000 2.015 454 A HA -0.079 4.241 4.320 0.000 0.000 0.219 454 A C 2.225 179.771 177.584 -0.063 0.000 1.163 454 A CA 1.534 53.540 52.037 -0.052 0.000 0.646 454 A CB -0.390 18.549 19.000 -0.101 0.000 0.806 454 A HN 0.587 nan 8.150 nan 0.000 0.448 455 R N -0.972 119.492 120.500 -0.059 0.000 2.057 455 R HA 0.033 4.373 4.340 0.000 0.000 0.224 455 R C 1.024 177.314 176.300 -0.017 0.000 1.136 455 R CA 1.068 57.127 56.100 -0.068 0.000 0.968 455 R CB -0.204 30.055 30.300 -0.070 0.000 0.863 455 R HN 0.360 nan 8.270 nan 0.000 0.433 456 M N 0.649 120.248 119.600 -0.002 0.000 2.793 456 M HA 0.067 4.547 4.480 0.000 0.000 0.215 456 M C 0.571 176.901 176.300 0.051 0.000 1.087 456 M CA 0.454 55.768 55.300 0.023 0.000 1.033 456 M CB 0.085 32.691 32.600 0.009 0.000 1.760 456 M HN 0.285 nan 8.290 nan 0.000 0.514 457 A N -1.631 121.231 122.820 0.071 0.000 2.630 457 A HA 0.210 4.530 4.320 0.000 0.000 0.287 457 A C 0.035 177.744 177.584 0.208 0.000 1.040 457 A CA -0.580 51.522 52.037 0.108 0.000 0.971 457 A CB -0.066 18.980 19.000 0.077 0.000 1.241 457 A HN 0.390 nan 8.150 nan 0.000 0.558 458 Y N -0.416 119.904 120.300 0.034 0.000 2.951 458 Y HA -0.231 4.319 4.550 0.000 0.000 0.173 458 Y C 0.772 176.742 175.900 0.115 0.000 1.593 458 Y CA 0.724 58.858 58.100 0.057 0.000 0.902 458 Y CB -1.034 37.464 38.460 0.064 0.000 1.452 458 Y HN 0.905 nan 8.280 nan 0.000 0.358 459 A N 3.303 126.150 122.820 0.046 0.000 2.679 459 A HA 0.105 4.425 4.320 0.000 0.000 0.168 459 A C 1.380 178.613 177.584 -0.585 0.000 1.561 459 A CA 0.360 52.351 52.037 -0.076 0.000 1.139 459 A CB -0.224 18.808 19.000 0.055 0.000 1.395 459 A HN 0.395 nan 8.150 nan 0.000 0.483 460 M N 1.498 120.892 119.600 -0.342 0.000 2.460 460 M HA -0.111 4.369 4.480 0.000 0.000 0.263 460 M C 1.463 177.580 176.300 -0.304 0.000 1.071 460 M CA 2.076 57.184 55.300 -0.320 0.000 1.096 460 M CB -1.108 31.373 32.600 -0.200 0.000 1.408 460 M HN 0.725 nan 8.290 nan 0.000 0.463 461 D N -0.100 120.133 120.400 -0.278 0.000 2.103 461 D HA -0.202 4.438 4.640 0.000 0.000 0.199 461 D C 1.712 177.971 176.300 -0.069 0.000 0.978 461 D CA 1.254 55.158 54.000 -0.159 0.000 0.829 461 D CB -0.989 39.719 40.800 -0.154 0.000 0.981 461 D HN 0.509 nan 8.370 nan 0.000 0.464 462 F N 0.320 120.253 119.950 -0.029 0.000 2.416 462 F HA 0.209 4.736 4.527 0.000 0.000 0.296 462 F C 1.877 177.674 175.800 -0.005 0.000 1.099 462 F CA -0.043 57.956 58.000 -0.002 0.000 1.427 462 F CB -0.295 38.719 39.000 0.024 0.000 1.079 462 F HN -0.180 nan 8.300 nan 0.000 0.536 463 I N 2.237 122.334 120.570 -0.788 0.000 2.163 463 I HA -0.306 3.865 4.170 0.000 0.000 0.243 463 I C 1.888 177.900 176.117 -0.175 0.000 1.085 463 I CA 1.590 62.605 61.300 -0.476 0.000 1.347 463 I CB -1.615 36.084 38.000 -0.502 0.000 1.044 463 I HN 0.396 nan 8.210 nan 0.000 0.408 464 N N 0.497 119.097 118.700 -0.167 0.000 2.396 464 N HA -0.143 4.598 4.740 0.000 0.000 0.180 464 N C 1.665 177.158 175.510 -0.028 0.000 1.028 464 N CA 0.540 53.541 53.050 -0.083 0.000 0.893 464 N CB 0.069 38.505 38.487 -0.085 0.000 0.967 464 N HN 0.436 nan 8.380 nan 0.000 0.440 465 K N 0.977 121.381 120.400 0.006 0.000 2.097 465 K HA -0.032 4.288 4.320 0.000 0.000 0.205 465 K C 0.992 177.620 176.600 0.047 0.000 1.050 465 K CA 0.635 56.947 56.287 0.043 0.000 0.938 465 K CB 0.008 32.562 32.500 0.090 0.000 0.718 465 K HN 0.308 nan 8.250 nan 0.000 0.442 466 M N 2.434 122.071 119.600 0.062 0.000 2.146 466 M HA 0.117 4.597 4.480 0.000 0.000 0.352 466 M C -0.583 175.733 176.300 0.027 0.000 1.343 466 M CA -0.679 54.655 55.300 0.057 0.000 1.115 466 M CB 0.625 33.279 32.600 0.090 0.000 1.657 466 M HN -0.063 nan 8.290 nan 0.000 0.471 467 D N 3.534 123.946 120.400 0.021 0.000 2.506 467 D HA -0.028 4.612 4.640 0.000 0.000 0.234 467 D C -0.212 176.094 176.300 0.009 0.000 1.143 467 D CA 0.376 54.383 54.000 0.012 0.000 0.871 467 D CB 0.340 41.147 40.800 0.011 0.000 1.190 467 D HN 1.131 nan 8.370 nan 0.000 0.459 468 N N 0.263 118.964 118.700 0.003 0.000 2.955 468 N HA -0.183 4.557 4.740 0.000 0.000 0.199 468 N C 1.189 176.696 175.510 -0.005 0.000 0.939 468 N CA 0.528 53.579 53.050 0.001 0.000 1.028 468 N CB -1.416 37.075 38.487 0.007 0.000 1.000 468 N HN 0.828 nan 8.380 nan 0.000 0.577 469 G N 1.233 110.026 108.800 -0.011 0.000 2.652 469 G HA2 -0.375 3.585 3.960 0.000 0.000 0.318 469 G HA3 -0.375 3.585 3.960 0.000 0.000 0.318 469 G C 0.614 175.496 174.900 -0.029 0.000 1.295 469 G CA 0.865 45.946 45.100 -0.031 0.000 0.999 469 G HN 0.166 nan 8.290 nan 0.000 0.548 470 L N 1.342 122.542 121.223 -0.038 0.000 2.450 470 L HA 0.109 4.449 4.340 0.000 0.000 0.224 470 L C 2.009 178.876 176.870 -0.006 0.000 1.149 470 L CA 2.029 56.853 54.840 -0.028 0.000 0.816 470 L CB -0.385 41.658 42.059 -0.026 0.000 0.932 470 L HN 0.421 nan 8.230 nan 0.000 0.449 471 D N -1.556 118.842 120.400 -0.003 0.000 2.339 471 D HA 0.036 4.676 4.640 0.000 0.000 0.217 471 D C 0.573 176.877 176.300 0.008 0.000 1.050 471 D CA 0.247 54.251 54.000 0.006 0.000 0.856 471 D CB 0.092 40.896 40.800 0.006 0.000 0.922 471 D HN 0.211 nan 8.370 nan 0.000 0.518 472 T N 1.002 115.560 114.554 0.007 0.000 2.907 472 T HA 0.209 4.559 4.350 0.000 0.000 0.298 472 T C 0.674 175.381 174.700 0.013 0.000 1.017 472 T CA -0.437 61.670 62.100 0.013 0.000 1.118 472 T CB 1.595 70.475 68.868 0.021 0.000 0.948 472 T HN 0.035 nan 8.240 nan 0.000 0.531 473 I N 3.943 124.521 120.570 0.013 0.000 2.396 473 I HA 0.394 4.564 4.170 0.000 0.000 0.289 473 I C 0.053 176.177 176.117 0.012 0.000 1.056 473 I CA -0.496 60.809 61.300 0.009 0.000 1.365 473 I CB 0.123 38.128 38.000 0.008 0.000 1.407 473 I HN 0.616 nan 8.210 nan 0.000 0.509 474 I N 6.866 127.440 120.570 0.007 0.000 2.834 474 I HA 0.473 4.643 4.170 0.000 0.000 0.305 474 I C 0.747 176.869 176.117 0.009 0.000 1.008 474 I CA -0.336 60.970 61.300 0.011 0.000 1.273 474 I CB 1.133 39.134 38.000 0.001 0.000 1.432 474 I HN 0.660 nan 8.210 nan 0.000 0.557 475 G N 3.564 112.372 108.800 0.012 0.000 2.378 475 G HA2 0.077 4.037 3.960 0.000 0.000 0.255 475 G HA3 0.077 4.037 3.960 0.000 0.000 0.255 475 G C -0.201 174.710 174.900 0.019 0.000 1.270 475 G CA -0.406 44.703 45.100 0.015 0.000 0.876 475 G HN 0.814 nan 8.290 nan 0.000 0.521 476 E N 2.112 122.328 120.200 0.026 0.000 3.111 476 E HA -0.190 4.160 4.350 0.000 0.000 0.230 476 E C 0.492 177.129 176.600 0.061 0.000 1.035 476 E CA 0.440 56.865 56.400 0.042 0.000 0.944 476 E CB -0.217 29.509 29.700 0.043 0.000 0.919 476 E HN 0.636 nan 8.360 nan 0.000 0.554 477 N N 3.529 122.263 118.700 0.058 0.000 2.725 477 N HA -0.162 4.578 4.740 0.000 0.000 0.256 477 N C 0.050 175.584 175.510 0.039 0.000 1.087 477 N CA 1.309 54.400 53.050 0.070 0.000 0.690 477 N CB -1.422 37.184 38.487 0.199 0.000 0.891 477 N HN 0.853 nan 8.380 nan 0.000 0.553 478 G N -0.240 108.562 108.800 0.003 0.000 2.424 478 G HA2 -0.267 3.693 3.960 0.000 0.000 0.294 478 G HA3 -0.267 3.693 3.960 0.000 0.000 0.294 478 G C 1.112 176.018 174.900 0.009 0.000 0.939 478 G CA 0.404 45.505 45.100 0.001 0.000 1.143 478 G HN 0.705 nan 8.290 nan 0.000 0.507 479 V N 0.071 119.994 119.914 0.015 0.000 2.500 479 V HA -0.010 4.110 4.120 0.000 0.000 0.243 479 V C 1.999 178.098 176.094 0.008 0.000 1.039 479 V CA 1.789 64.098 62.300 0.015 0.000 1.053 479 V CB -0.126 31.711 31.823 0.022 0.000 0.695 479 V HN 0.647 nan 8.190 nan 0.000 0.463 480 L N 1.659 122.887 121.223 0.009 0.000 2.998 480 L HA 0.631 4.971 4.340 0.000 0.000 0.234 480 L C -0.279 176.593 176.870 0.003 0.000 1.350 480 L CA 0.305 55.149 54.840 0.008 0.000 1.202 480 L CB -1.022 41.045 42.059 0.013 0.000 1.583 480 L HN 0.290 nan 8.230 nan 0.000 0.456 481 L N -4.272 116.944 121.223 -0.012 0.000 2.921 481 L HA 0.520 4.860 4.340 0.000 0.000 0.261 481 L C -0.270 176.561 176.870 -0.065 0.000 0.984 481 L CA -0.803 54.015 54.840 -0.037 0.000 0.951 481 L CB 1.208 43.255 42.059 -0.019 0.000 1.495 481 L HN -0.079 nan 8.230 nan 0.000 0.414 482 S N 0.514 116.147 115.700 -0.113 0.000 2.561 482 S HA 0.211 4.681 4.470 0.000 0.000 0.294 482 S C 1.390 175.925 174.600 -0.108 0.000 1.294 482 S CA 0.759 58.887 58.200 -0.120 0.000 1.055 482 S CB 0.899 63.996 63.200 -0.171 0.000 0.819 482 S HN 1.103 nan 8.310 nan 0.000 0.503 483 G N 3.849 112.604 108.800 -0.074 0.000 2.422 483 G HA2 -0.058 3.902 3.960 0.000 0.000 0.218 483 G HA3 -0.058 3.902 3.960 0.000 0.000 0.218 483 G C 1.404 176.266 174.900 -0.063 0.000 1.146 483 G CA 0.734 45.802 45.100 -0.053 0.000 0.769 483 G HN 0.966 nan 8.290 nan 0.000 0.547 484 G N 0.438 109.186 108.800 -0.086 0.000 2.480 484 G HA2 -0.227 3.733 3.960 0.000 0.000 0.216 484 G HA3 -0.227 3.733 3.960 0.000 0.000 0.216 484 G C 1.767 176.603 174.900 -0.108 0.000 1.200 484 G CA 1.160 46.208 45.100 -0.086 0.000 0.782 484 G HN 0.504 nan 8.290 nan 0.000 0.554 485 Q N -0.049 119.606 119.800 -0.241 0.000 2.077 485 Q HA -0.155 4.185 4.340 0.000 0.000 0.206 485 Q C 2.814 178.785 176.000 -0.048 0.000 0.989 485 Q CA 1.468 57.033 55.803 -0.396 0.000 0.853 485 Q CB -0.225 28.052 28.738 -0.769 0.000 0.907 485 Q HN 0.420 nan 8.270 nan 0.000 0.418 486 R N 0.553 121.024 120.500 -0.049 0.000 2.088 486 R HA -0.213 4.127 4.340 0.000 0.000 0.232 486 R C 2.421 178.731 176.300 0.017 0.000 1.136 486 R CA 1.807 57.908 56.100 0.002 0.000 0.926 486 R CB -0.417 29.872 30.300 -0.018 0.000 0.837 486 R HN 0.326 nan 8.270 nan 0.000 0.429 487 Q N 0.648 120.448 119.800 0.000 0.000 2.096 487 Q HA -0.253 4.087 4.340 0.000 0.000 0.208 487 Q C 2.128 178.148 176.000 0.034 0.000 0.993 487 Q CA 1.900 57.707 55.803 0.007 0.000 0.862 487 Q CB 0.012 28.748 28.738 -0.003 0.000 0.915 487 Q HN 0.294 nan 8.270 nan 0.000 0.416 488 R N -0.205 120.334 120.500 0.065 0.000 2.083 488 R HA -0.153 4.187 4.340 0.000 0.000 0.237 488 R C 2.358 178.728 176.300 0.115 0.000 1.137 488 R CA 1.701 57.872 56.100 0.117 0.000 0.951 488 R CB -0.461 29.972 30.300 0.222 0.000 0.851 488 R HN 0.376 nan 8.270 nan 0.000 0.434 489 I N 0.722 121.370 120.570 0.130 0.000 2.286 489 I HA -0.263 3.907 4.170 0.000 0.000 0.248 489 I C 2.605 178.738 176.117 0.027 0.000 1.115 489 I CA 1.243 62.596 61.300 0.089 0.000 1.392 489 I CB -0.398 37.659 38.000 0.095 0.000 1.065 489 I HN 0.211 nan 8.210 nan 0.000 0.418 490 A N 0.681 123.507 122.820 0.010 0.000 1.969 490 A HA -0.133 4.187 4.320 0.000 0.000 0.218 490 A C 2.287 179.872 177.584 0.002 0.000 1.169 490 A CA 1.355 53.381 52.037 -0.018 0.000 0.635 490 A CB -0.656 18.331 19.000 -0.021 0.000 0.810 490 A HN 0.390 nan 8.150 nan 0.000 0.445 491 I N -0.670 119.913 120.570 0.022 0.000 2.353 491 I HA -0.186 3.984 4.170 0.000 0.000 0.248 491 I C 2.899 179.035 176.117 0.031 0.000 1.119 491 I CA 0.677 61.993 61.300 0.027 0.000 1.417 491 I CB -0.313 37.710 38.000 0.038 0.000 1.078 491 I HN 0.372 nan 8.210 nan 0.000 0.421 492 A N 1.365 124.208 122.820 0.038 0.000 1.836 492 A HA -0.306 4.014 4.320 0.000 0.000 0.215 492 A C 2.393 179.995 177.584 0.030 0.000 1.214 492 A CA 2.239 54.296 52.037 0.035 0.000 0.636 492 A CB -1.040 17.979 19.000 0.032 0.000 0.847 492 A HN 0.387 nan 8.150 nan 0.000 0.451 493 R N -0.141 120.372 120.500 0.021 0.000 2.227 493 R HA -0.305 4.035 4.340 0.000 0.000 0.246 493 R C 2.157 178.477 176.300 0.034 0.000 1.119 493 R CA 2.803 58.916 56.100 0.022 0.000 0.930 493 R CB -1.015 29.274 30.300 -0.019 0.000 0.912 493 R HN 0.516 nan 8.270 nan 0.000 0.435 494 A N 0.540 123.372 122.820 0.020 0.000 2.024 494 A HA -0.150 4.170 4.320 0.000 0.000 0.220 494 A C 2.150 179.752 177.584 0.029 0.000 1.164 494 A CA 1.432 53.483 52.037 0.024 0.000 0.643 494 A CB -0.424 18.586 19.000 0.016 0.000 0.806 494 A HN 0.425 nan 8.150 nan 0.000 0.451 495 L N -1.051 120.189 121.223 0.030 0.000 2.095 495 L HA 0.010 4.350 4.340 0.000 0.000 0.204 495 L C 2.244 179.131 176.870 0.028 0.000 1.080 495 L CA 1.551 56.406 54.840 0.025 0.000 0.759 495 L CB -0.556 41.517 42.059 0.023 0.000 0.914 495 L HN 0.438 nan 8.230 nan 0.000 0.439 496 L N -0.321 120.930 121.223 0.048 0.000 2.017 496 L HA -0.200 4.140 4.340 0.000 0.000 0.208 496 L C 2.568 179.499 176.870 0.102 0.000 1.073 496 L CA 1.712 56.592 54.840 0.065 0.000 0.745 496 L CB -0.744 41.389 42.059 0.125 0.000 0.894 496 L HN 0.159 nan 8.230 nan 0.000 0.432 497 R N 0.288 120.878 120.500 0.149 0.000 2.140 497 R HA -0.225 4.115 4.340 0.000 0.000 0.250 497 R C 0.307 176.664 176.300 0.094 0.000 1.150 497 R CA 1.265 57.469 56.100 0.174 0.000 0.966 497 R CB -0.745 29.615 30.300 0.101 0.000 0.869 497 R HN 0.610 nan 8.270 nan 0.000 0.445 498 D N -0.006 120.418 120.400 0.041 0.000 3.357 498 D HA -0.147 4.493 4.640 0.000 0.000 0.238 498 D C -1.037 175.266 176.300 0.005 0.000 1.126 498 D CA 0.784 54.788 54.000 0.007 0.000 0.984 498 D CB -0.564 40.222 40.800 -0.023 0.000 0.925 498 D HN 0.228 nan 8.370 nan 0.000 0.414 499 S N 2.303 118.004 115.700 0.001 0.000 2.722 499 S HA 0.723 5.193 4.470 0.000 0.000 0.292 499 S C -1.663 172.925 174.600 -0.019 0.000 1.135 499 S CA -1.003 57.191 58.200 -0.010 0.000 1.003 499 S CB 1.825 65.015 63.200 -0.016 0.000 1.067 499 S HN 0.127 nan 8.310 nan 0.000 0.546 500 P HA 0.268 nan 4.420 nan 0.000 0.222 500 P C -0.516 176.764 177.300 -0.034 0.000 1.153 500 P CA 0.831 63.913 63.100 -0.030 0.000 0.798 500 P CB 0.111 31.789 31.700 -0.036 0.000 0.796 501 I N 0.093 120.637 120.570 -0.044 0.000 2.382 501 I HA 0.241 4.411 4.170 0.000 0.000 0.285 501 I C -0.810 175.283 176.117 -0.039 0.000 1.007 501 I CA -1.029 60.242 61.300 -0.049 0.000 1.142 501 I CB 1.716 39.673 38.000 -0.072 0.000 1.289 501 I HN -0.233 nan 8.210 nan 0.000 0.453 502 L N 8.990 130.196 121.223 -0.028 0.000 2.319 502 L HA 0.620 4.960 4.340 0.000 0.000 0.281 502 L C -0.929 175.932 176.870 -0.015 0.000 1.005 502 L CA -0.138 54.692 54.840 -0.017 0.000 0.828 502 L CB 1.075 43.128 42.059 -0.009 0.000 1.227 502 L HN 0.390 nan 8.230 nan 0.000 0.415 503 I N 6.340 126.904 120.570 -0.010 0.000 2.339 503 I HA 0.329 4.499 4.170 0.000 0.000 0.290 503 I C -0.628 175.491 176.117 0.003 0.000 0.994 503 I CA -0.416 60.881 61.300 -0.006 0.000 1.191 503 I CB 1.408 39.406 38.000 -0.003 0.000 1.343 503 I HN 0.467 nan 8.210 nan 0.000 0.458 504 L N 5.758 126.980 121.223 -0.001 0.000 2.371 504 L HA 0.290 4.630 4.340 0.000 0.000 0.262 504 L C -0.256 176.609 176.870 -0.009 0.000 1.054 504 L CA -0.433 54.406 54.840 -0.001 0.000 0.924 504 L CB 0.648 42.707 42.059 -0.001 0.000 1.295 504 L HN 0.523 nan 8.230 nan 0.000 0.441 505 D N 4.525 124.920 120.400 -0.008 0.000 2.455 505 D HA -0.015 4.625 4.640 0.000 0.000 0.234 505 D C 0.805 177.085 176.300 -0.033 0.000 1.224 505 D CA 0.392 54.378 54.000 -0.022 0.000 0.999 505 D CB 0.160 40.951 40.800 -0.016 0.000 1.072 505 D HN 0.550 nan 8.370 nan 0.000 0.514 506 E N 1.857 122.030 120.200 -0.044 0.000 2.389 506 E HA -0.319 4.031 4.350 0.000 0.000 0.243 506 E C 0.522 177.109 176.600 -0.021 0.000 1.154 506 E CA 0.471 56.844 56.400 -0.045 0.000 0.723 506 E CB -0.972 28.687 29.700 -0.069 0.000 1.261 506 E HN 0.538 nan 8.360 nan 0.000 0.390 507 A N -0.438 122.374 122.820 -0.013 0.000 2.186 507 A HA -0.165 4.155 4.320 0.000 0.000 0.219 507 A C 1.966 179.548 177.584 -0.004 0.000 1.159 507 A CA 1.750 53.784 52.037 -0.005 0.000 0.680 507 A CB -0.166 18.834 19.000 -0.000 0.000 0.787 507 A HN 0.433 nan 8.150 nan 0.000 0.467 508 T N -1.116 113.435 114.554 -0.005 0.000 3.044 508 T HA 0.033 4.383 4.350 0.000 0.000 0.255 508 T C 1.795 176.491 174.700 -0.007 0.000 1.073 508 T CA 0.760 62.856 62.100 -0.007 0.000 1.125 508 T CB -0.106 68.759 68.868 -0.005 0.000 0.908 508 T HN 0.495 nan 8.240 nan 0.000 0.480 509 S N 1.592 117.292 115.700 -0.001 0.000 2.600 509 S HA -0.324 4.146 4.470 0.000 0.000 0.462 509 S C 1.089 175.688 174.600 -0.002 0.000 1.124 509 S CA 1.833 60.035 58.200 0.003 0.000 2.567 509 S CB -0.929 62.270 63.200 -0.002 0.000 1.938 509 S HN 0.861 nan 8.310 nan 0.000 0.503 510 A N 1.038 123.851 122.820 -0.013 0.000 2.802 510 A HA 0.701 5.021 4.320 0.000 0.000 0.344 510 A C -0.649 176.915 177.584 -0.034 0.000 1.215 510 A CA -0.359 51.666 52.037 -0.021 0.000 0.821 510 A CB 0.287 19.273 19.000 -0.024 0.000 1.099 510 A HN 0.362 nan 8.150 nan 0.000 0.479 511 L N 0.644 121.846 121.223 -0.035 0.000 2.422 511 L HA 0.359 4.699 4.340 0.000 0.000 0.264 511 L C -0.648 176.186 176.870 -0.061 0.000 0.984 511 L CA -1.057 53.751 54.840 -0.053 0.000 0.819 511 L CB 2.346 44.371 42.059 -0.057 0.000 1.330 511 L HN 0.619 nan 8.230 nan 0.000 0.410 512 D N 0.972 121.324 120.400 -0.079 0.000 2.426 512 D HA -0.076 4.564 4.640 0.000 0.000 0.261 512 D C 1.335 177.581 176.300 -0.090 0.000 1.245 512 D CA 0.621 54.574 54.000 -0.079 0.000 0.917 512 D CB 1.123 41.866 40.800 -0.095 0.000 1.123 512 D HN 0.596 nan 8.370 nan 0.000 0.508 513 T N 2.725 117.244 114.554 -0.059 0.000 2.624 513 T HA -0.351 3.999 4.350 0.000 0.000 0.266 513 T C 1.546 176.202 174.700 -0.072 0.000 1.050 513 T CA 2.219 64.289 62.100 -0.051 0.000 1.163 513 T CB -0.270 68.582 68.868 -0.028 0.000 0.861 513 T HN 0.666 nan 8.240 nan 0.000 0.443 514 E N -0.441 119.712 120.200 -0.078 0.000 2.038 514 E HA -0.127 4.223 4.350 0.000 0.000 0.195 514 E C 2.458 178.948 176.600 -0.185 0.000 1.000 514 E CA 1.597 57.943 56.400 -0.090 0.000 0.803 514 E CB -0.319 29.345 29.700 -0.060 0.000 0.750 514 E HN 0.575 nan 8.360 nan 0.000 0.448 515 S N 0.882 116.404 115.700 -0.297 0.000 2.370 515 S HA -0.243 4.227 4.470 0.000 0.000 0.226 515 S C 1.792 176.170 174.600 -0.371 0.000 1.033 515 S CA 1.531 59.370 58.200 -0.602 0.000 1.011 515 S CB -0.397 62.472 63.200 -0.550 0.000 0.852 515 S HN 0.430 nan 8.310 nan 0.000 0.457 516 E N 1.713 121.794 120.200 -0.199 0.000 2.013 516 E HA -0.271 4.079 4.350 0.000 0.000 0.202 516 E C 2.260 178.807 176.600 -0.088 0.000 1.018 516 E CA 1.305 57.638 56.400 -0.112 0.000 0.834 516 E CB -0.269 29.390 29.700 -0.069 0.000 0.770 516 E HN 0.333 nan 8.360 nan 0.000 0.459 517 R N -0.031 120.425 120.500 -0.072 0.000 2.154 517 R HA -0.214 4.126 4.340 0.000 0.000 0.248 517 R C 2.265 178.544 176.300 -0.034 0.000 1.155 517 R CA 1.352 57.427 56.100 -0.042 0.000 0.979 517 R CB -0.361 29.921 30.300 -0.030 0.000 0.869 517 R HN 0.355 nan 8.270 nan 0.000 0.452 518 A N 0.814 123.592 122.820 -0.070 0.000 1.877 518 A HA -0.166 4.154 4.320 0.000 0.000 0.216 518 A C 2.092 179.697 177.584 0.035 0.000 1.186 518 A CA 1.495 53.529 52.037 -0.006 0.000 0.620 518 A CB -0.471 18.494 19.000 -0.058 0.000 0.822 518 A HN 0.326 nan 8.150 nan 0.000 0.443 519 I N -0.865 119.705 120.570 -0.001 0.000 2.142 519 I HA -0.312 3.858 4.170 0.000 0.000 0.240 519 I C 2.749 178.880 176.117 0.023 0.000 1.078 519 I CA 1.828 63.150 61.300 0.035 0.000 1.343 519 I CB -0.428 37.583 38.000 0.018 0.000 1.046 519 I HN 0.420 nan 8.210 nan 0.000 0.405 520 Q N 1.395 121.196 119.800 0.003 0.000 2.082 520 Q HA -0.293 4.047 4.340 0.000 0.000 0.211 520 Q C 2.134 178.140 176.000 0.010 0.000 1.002 520 Q CA 2.876 58.680 55.803 0.003 0.000 0.868 520 Q CB -0.525 28.210 28.738 -0.006 0.000 0.931 520 Q HN 0.529 nan 8.270 nan 0.000 0.414 521 A N 0.199 123.028 122.820 0.015 0.000 1.865 521 A HA -0.103 4.217 4.320 0.000 0.000 0.217 521 A C 2.349 179.947 177.584 0.024 0.000 1.191 521 A CA 2.513 54.562 52.037 0.020 0.000 0.623 521 A CB -1.475 17.542 19.000 0.028 0.000 0.826 521 A HN 0.618 nan 8.150 nan 0.000 0.444 522 A N -0.207 122.634 122.820 0.035 0.000 1.873 522 A HA -0.146 4.174 4.320 0.000 0.000 0.218 522 A C 2.211 179.808 177.584 0.023 0.000 1.193 522 A CA 1.723 53.781 52.037 0.035 0.000 0.629 522 A CB -0.804 18.228 19.000 0.053 0.000 0.826 522 A HN 0.504 nan 8.150 nan 0.000 0.447 523 L N -0.538 120.697 121.223 0.021 0.000 1.956 523 L HA -0.290 4.050 4.340 0.000 0.000 0.216 523 L C 2.401 179.276 176.870 0.009 0.000 1.073 523 L CA 1.903 56.751 54.840 0.013 0.000 0.762 523 L CB -1.021 41.045 42.059 0.010 0.000 0.889 523 L HN 0.358 nan 8.230 nan 0.000 0.433 524 D N -0.366 120.039 120.400 0.008 0.000 2.157 524 D HA -0.255 4.385 4.640 0.000 0.000 0.191 524 D C 2.104 178.407 176.300 0.005 0.000 1.004 524 D CA 1.370 55.373 54.000 0.005 0.000 0.854 524 D CB -0.289 40.514 40.800 0.005 0.000 0.936 524 D HN 0.298 nan 8.370 nan 0.000 0.446 525 E N 0.535 120.740 120.200 0.007 0.000 2.085 525 E HA -0.152 4.198 4.350 0.000 0.000 0.194 525 E C 2.261 178.862 176.600 0.002 0.000 0.994 525 E CA 0.597 57.000 56.400 0.005 0.000 0.801 525 E CB -0.340 29.364 29.700 0.008 0.000 0.743 525 E HN 0.339 nan 8.360 nan 0.000 0.453 526 L N 0.589 121.814 121.223 0.002 0.000 2.062 526 L HA -0.133 4.207 4.340 0.000 0.000 0.202 526 L C 2.762 179.630 176.870 -0.003 0.000 1.079 526 L CA 1.347 56.186 54.840 -0.002 0.000 0.755 526 L CB -0.446 41.612 42.059 -0.001 0.000 0.913 526 L HN 0.108 nan 8.230 nan 0.000 0.445 527 Q N -0.317 119.482 119.800 -0.001 0.000 2.458 527 Q HA -0.301 4.039 4.340 0.000 0.000 0.215 527 Q C 1.696 177.694 176.000 -0.002 0.000 0.989 527 Q CA 1.564 57.366 55.803 -0.002 0.000 0.895 527 Q CB -0.395 28.343 28.738 -0.001 0.000 0.934 527 Q HN 0.237 nan 8.270 nan 0.000 0.475 528 K N 0.957 121.356 120.400 -0.002 0.000 2.218 528 K HA -0.137 4.183 4.320 0.000 0.000 0.205 528 K C 1.138 177.737 176.600 -0.003 0.000 1.046 528 K CA 1.817 58.103 56.287 -0.001 0.000 0.933 528 K CB 0.116 32.615 32.500 -0.001 0.000 0.728 528 K HN 0.474 nan 8.250 nan 0.000 0.454 529 N N -0.615 118.082 118.700 -0.004 0.000 2.511 529 N HA 0.026 4.766 4.740 0.000 0.000 0.190 529 N C 0.376 175.883 175.510 -0.006 0.000 1.037 529 N CA 0.297 53.344 53.050 -0.005 0.000 0.895 529 N CB -0.111 38.372 38.487 -0.007 0.000 1.149 529 N HN -0.075 nan 8.380 nan 0.000 0.437 530 R N 0.983 121.478 120.500 -0.008 0.000 2.840 530 R HA 0.231 4.571 4.340 0.000 0.000 0.282 530 R C 0.068 176.362 176.300 -0.010 0.000 1.133 530 R CA 0.341 56.434 56.100 -0.010 0.000 1.208 530 R CB -0.249 30.044 30.300 -0.012 0.000 1.160 530 R HN -0.012 nan 8.270 nan 0.000 0.576 531 T N 0.787 115.332 114.554 -0.015 0.000 2.743 531 T HA 0.372 4.722 4.350 0.000 0.000 0.293 531 T C -0.485 174.205 174.700 -0.017 0.000 0.945 531 T CA -0.296 61.794 62.100 -0.016 0.000 1.030 531 T CB 0.667 69.521 68.868 -0.023 0.000 0.912 531 T HN 0.334 nan 8.240 nan 0.000 0.483 532 S N 3.656 119.349 115.700 -0.012 0.000 2.519 532 S HA 0.511 4.981 4.470 0.000 0.000 0.309 532 S C -0.965 173.629 174.600 -0.010 0.000 1.100 532 S CA -0.791 57.402 58.200 -0.011 0.000 1.059 532 S CB 1.113 64.310 63.200 -0.006 0.000 1.008 532 S HN 0.555 nan 8.310 nan 0.000 0.478 533 L N 5.213 126.428 121.223 -0.014 0.000 2.337 533 L HA 0.604 4.944 4.340 0.000 0.000 0.269 533 L C -0.926 175.940 176.870 -0.007 0.000 1.018 533 L CA -0.434 54.399 54.840 -0.012 0.000 0.876 533 L CB 0.794 42.837 42.059 -0.027 0.000 1.236 533 L HN 0.533 nan 8.230 nan 0.000 0.436 534 V N 7.392 127.305 119.914 -0.001 0.000 2.427 534 V HA 0.491 4.611 4.120 0.000 0.000 0.286 534 V C -0.363 175.730 176.094 -0.003 0.000 1.034 534 V CA -0.563 61.736 62.300 -0.002 0.000 0.893 534 V CB 1.950 33.773 31.823 0.001 0.000 0.982 534 V HN 0.620 nan 8.190 nan 0.000 0.452 535 I N 7.565 128.125 120.570 -0.016 0.000 2.563 535 I HA 0.742 4.912 4.170 0.000 0.000 0.276 535 I C -0.256 175.821 176.117 -0.067 0.000 1.074 535 I CA -0.023 61.257 61.300 -0.033 0.000 1.124 535 I CB 0.757 38.736 38.000 -0.036 0.000 1.225 535 I HN 0.773 nan 8.210 nan 0.000 0.482 536 A N 5.982 128.767 122.820 -0.057 0.000 2.414 536 A HA 0.681 5.001 4.320 0.000 0.000 0.278 536 A C -0.209 177.341 177.584 -0.057 0.000 1.228 536 A CA -0.313 51.684 52.037 -0.066 0.000 0.857 536 A CB 1.094 20.088 19.000 -0.010 0.000 1.389 536 A HN 0.714 nan 8.150 nan 0.000 0.452 537 H N -0.610 118.454 119.070 -0.011 0.000 2.695 537 H HA 0.244 4.800 4.556 0.000 0.000 0.267 537 H C 0.268 175.582 175.328 -0.022 0.000 0.973 537 H CA 0.459 56.495 56.048 -0.020 0.000 1.223 537 H CB 0.313 30.063 29.762 -0.020 0.000 1.442 537 H HN 0.497 nan 8.280 nan 0.000 0.478 538 R N 2.237 122.806 120.500 0.116 0.000 3.247 538 R HA 0.054 4.394 4.340 0.000 0.000 0.212 538 R C 1.041 177.370 176.300 0.049 0.000 1.604 538 R CA -0.184 55.953 56.100 0.062 0.000 1.279 538 R CB -0.351 29.976 30.300 0.044 0.000 1.277 538 R HN 0.215 nan 8.270 nan 0.000 0.669 539 L N 0.360 121.611 121.223 0.047 0.000 2.198 539 L HA -0.409 3.931 4.340 0.000 0.000 0.218 539 L C 2.420 179.304 176.870 0.022 0.000 1.084 539 L CA 1.575 56.432 54.840 0.029 0.000 0.779 539 L CB -0.655 41.419 42.059 0.025 0.000 0.890 539 L HN 0.490 nan 8.230 nan 0.000 0.439 540 S N -0.733 114.997 115.700 0.050 0.000 2.423 540 S HA -0.198 4.272 4.470 0.000 0.000 0.238 540 S C 1.548 176.144 174.600 -0.007 0.000 1.028 540 S CA 1.826 60.046 58.200 0.033 0.000 1.000 540 S CB -0.443 62.784 63.200 0.046 0.000 0.797 540 S HN 0.688 nan 8.310 nan 0.000 0.487 541 T N -1.337 113.216 114.554 -0.001 0.000 3.268 541 T HA 0.538 4.888 4.350 0.000 0.000 0.244 541 T C 0.492 175.187 174.700 -0.009 0.000 0.915 541 T CA -0.340 61.755 62.100 -0.007 0.000 0.935 541 T CB -0.023 68.845 68.868 -0.001 0.000 1.110 541 T HN 0.315 nan 8.240 nan 0.000 0.573 542 I N -1.131 119.424 120.570 -0.025 0.000 5.285 542 I HA 0.203 4.373 4.170 0.000 0.000 0.351 542 I C 1.752 177.837 176.117 -0.053 0.000 1.206 542 I CA -0.139 61.156 61.300 -0.009 0.000 1.527 542 I CB 0.055 38.079 38.000 0.040 0.000 1.694 542 I HN 0.132 nan 8.210 nan 0.000 0.585 543 E N 2.073 122.167 120.200 -0.177 0.000 2.324 543 E HA -0.272 4.078 4.350 0.000 0.000 0.205 543 E C 0.607 177.095 176.600 -0.185 0.000 1.031 543 E CA 1.543 57.678 56.400 -0.443 0.000 0.836 543 E CB -0.167 29.184 29.700 -0.581 0.000 0.742 543 E HN 0.640 nan 8.360 nan 0.000 0.491 544 Q N -0.746 119.005 119.800 -0.081 0.000 2.318 544 Q HA 0.546 4.886 4.340 0.000 0.000 0.371 544 Q C -0.615 175.380 176.000 -0.007 0.000 0.896 544 Q CA -0.443 55.344 55.803 -0.027 0.000 1.134 544 Q CB 1.316 30.040 28.738 -0.023 0.000 1.329 544 Q HN -0.024 nan 8.270 nan 0.000 0.413 545 A N 0.447 123.269 122.820 0.003 0.000 2.303 545 A HA 0.282 4.602 4.320 0.000 0.000 0.317 545 A C 0.413 178.004 177.584 0.011 0.000 1.149 545 A CA -0.558 51.485 52.037 0.010 0.000 0.822 545 A CB 0.668 19.680 19.000 0.020 0.000 1.131 545 A HN 0.294 nan 8.150 nan 0.000 0.493 546 D N 0.038 120.444 120.400 0.009 0.000 2.265 546 D HA -0.072 4.568 4.640 0.000 0.000 0.208 546 D C 0.348 176.652 176.300 0.006 0.000 0.977 546 D CA 1.703 55.707 54.000 0.007 0.000 0.871 546 D CB 0.461 41.265 40.800 0.006 0.000 0.925 546 D HN 0.731 nan 8.370 nan 0.000 0.485 547 E N -0.666 119.540 120.200 0.010 0.000 2.431 547 E HA 0.245 4.595 4.350 0.000 0.000 0.287 547 E C -1.867 174.746 176.600 0.022 0.000 1.032 547 E CA -0.549 55.856 56.400 0.008 0.000 0.839 547 E CB 1.181 30.887 29.700 0.010 0.000 1.218 547 E HN -0.218 nan 8.360 nan 0.000 0.424 548 I N 2.925 123.506 120.570 0.018 0.000 2.389 548 I HA 0.269 4.439 4.170 0.000 0.000 0.288 548 I C -0.493 175.660 176.117 0.061 0.000 0.999 548 I CA -0.684 60.651 61.300 0.058 0.000 1.129 548 I CB 1.877 39.937 38.000 0.098 0.000 1.288 548 I HN 0.256 nan 8.210 nan 0.000 0.444 549 V N 7.265 127.226 119.914 0.079 0.000 2.304 549 V HA 0.251 4.371 4.120 0.000 0.000 0.262 549 V C 0.152 176.305 176.094 0.097 0.000 1.061 549 V CA -0.722 61.623 62.300 0.076 0.000 0.872 549 V CB 0.972 32.839 31.823 0.073 0.000 1.077 549 V HN 0.425 nan 8.190 nan 0.000 0.480 550 V N 5.863 125.844 119.914 0.111 0.000 2.508 550 V HA 0.315 4.435 4.120 0.000 0.000 0.281 550 V C 0.138 176.283 176.094 0.085 0.000 1.041 550 V CA 0.092 62.470 62.300 0.130 0.000 1.016 550 V CB 1.494 33.413 31.823 0.160 0.000 0.984 550 V HN 0.571 nan 8.190 nan 0.000 0.478 551 V N 5.597 125.558 119.914 0.078 0.000 2.686 551 V HA 0.642 4.763 4.120 0.000 0.000 0.306 551 V C -0.694 175.435 176.094 0.058 0.000 1.065 551 V CA -0.230 62.106 62.300 0.060 0.000 0.894 551 V CB 1.909 33.766 31.823 0.056 0.000 1.004 551 V HN 1.023 nan 8.190 nan 0.000 0.424 552 E N 4.356 124.585 120.200 0.049 0.000 2.340 552 E HA 0.304 4.654 4.350 0.000 0.000 0.273 552 E C -0.928 175.696 176.600 0.040 0.000 0.891 552 E CA -0.540 55.888 56.400 0.045 0.000 0.757 552 E CB 1.662 31.387 29.700 0.041 0.000 1.231 552 E HN 0.898 nan 8.360 nan 0.000 0.439 553 D N 2.862 123.286 120.400 0.040 0.000 2.890 553 D HA -0.209 4.431 4.640 0.000 0.000 0.226 553 D C 0.676 177.002 176.300 0.042 0.000 1.207 553 D CA 1.580 55.603 54.000 0.038 0.000 0.764 553 D CB -0.990 39.828 40.800 0.031 0.000 0.948 553 D HN 0.952 nan 8.370 nan 0.000 0.404 554 G N 1.358 110.189 108.800 0.052 0.000 2.216 554 G HA2 -0.323 3.637 3.960 0.000 0.000 0.269 554 G HA3 -0.323 3.637 3.960 0.000 0.000 0.269 554 G C 0.559 175.486 174.900 0.045 0.000 0.981 554 G CA 0.807 45.942 45.100 0.059 0.000 0.658 554 G HN 0.722 nan 8.290 nan 0.000 0.539 555 I N -0.106 120.486 120.570 0.036 0.000 2.619 555 I HA 0.614 4.784 4.170 0.000 0.000 0.292 555 I C 0.348 176.479 176.117 0.023 0.000 1.100 555 I CA -1.523 59.790 61.300 0.023 0.000 1.043 555 I CB 1.537 39.547 38.000 0.017 0.000 1.239 555 I HN 0.146 nan 8.210 nan 0.000 0.420 556 I N 7.134 127.712 120.570 0.014 0.000 2.813 556 I HA 0.040 4.210 4.170 0.000 0.000 0.287 556 I C -0.164 175.966 176.117 0.021 0.000 1.196 556 I CA 0.544 61.856 61.300 0.020 0.000 1.421 556 I CB 0.986 38.989 38.000 0.006 0.000 1.365 556 I HN 0.545 nan 8.210 nan 0.000 0.591 557 V N 4.766 124.699 119.914 0.031 0.000 3.392 557 V HA 0.367 4.487 4.120 0.000 0.000 0.285 557 V C -0.371 175.742 176.094 0.031 0.000 1.582 557 V CA -0.051 62.267 62.300 0.030 0.000 1.034 557 V CB 0.347 32.193 31.823 0.038 0.000 0.846 557 V HN 0.764 nan 8.190 nan 0.000 0.431 558 E N 1.391 121.611 120.200 0.034 0.000 2.597 558 E HA 0.348 4.698 4.350 0.000 0.000 0.310 558 E C -1.371 175.239 176.600 0.017 0.000 0.970 558 E CA -0.277 56.137 56.400 0.023 0.000 0.819 558 E CB 1.670 31.390 29.700 0.032 0.000 1.267 558 E HN 0.338 nan 8.360 nan 0.000 0.411 559 R N 1.932 122.430 120.500 -0.003 0.000 2.337 559 R HA 0.808 5.148 4.340 0.000 0.000 0.319 559 R C 0.135 176.412 176.300 -0.038 0.000 0.954 559 R CA -0.746 55.350 56.100 -0.007 0.000 0.840 559 R CB 1.793 32.094 30.300 0.002 0.000 1.164 559 R HN 0.477 nan 8.270 nan 0.000 0.472 560 G N 0.906 109.666 108.800 -0.066 0.000 2.623 560 G HA2 0.262 4.222 3.960 0.000 0.000 0.290 560 G HA3 0.262 4.222 3.960 0.000 0.000 0.290 560 G C -0.831 173.992 174.900 -0.129 0.000 1.437 560 G CA -0.544 44.495 45.100 -0.103 0.000 0.798 560 G HN 0.262 nan 8.290 nan 0.000 0.488 561 T N -0.100 114.383 114.554 -0.119 0.000 2.860 561 T HA 0.151 4.501 4.350 0.000 0.000 0.299 561 T C 1.480 176.078 174.700 -0.169 0.000 1.045 561 T CA 0.361 62.405 62.100 -0.094 0.000 1.071 561 T CB 0.952 69.784 68.868 -0.060 0.000 0.985 561 T HN 0.716 nan 8.240 nan 0.000 0.537 562 H N 1.380 120.334 119.070 -0.192 0.000 2.400 562 H HA -0.131 4.425 4.556 0.000 0.000 0.295 562 H C 2.293 177.469 175.328 -0.254 0.000 1.118 562 H CA 2.456 58.360 56.048 -0.240 0.000 1.256 562 H CB -0.265 29.440 29.762 -0.095 0.000 1.365 562 H HN 0.460 nan 8.280 nan 0.000 0.502 563 S N -0.577 114.969 115.700 -0.257 0.000 2.336 563 S HA -0.145 4.325 4.470 0.000 0.000 0.214 563 S C 1.972 176.413 174.600 -0.266 0.000 1.032 563 S CA 1.246 59.289 58.200 -0.263 0.000 1.001 563 S CB -0.218 62.910 63.200 -0.119 0.000 0.953 563 S HN 0.709 nan 8.310 nan 0.000 0.430 564 E N 0.934 121.012 120.200 -0.205 0.000 2.065 564 E HA -0.227 4.123 4.350 0.000 0.000 0.201 564 E C 2.199 178.653 176.600 -0.243 0.000 1.016 564 E CA 1.664 57.954 56.400 -0.183 0.000 0.818 564 E CB -0.540 29.077 29.700 -0.138 0.000 0.749 564 E HN 0.435 nan 8.360 nan 0.000 0.453 565 L N 0.661 121.675 121.223 -0.348 0.000 1.956 565 L HA -0.253 4.087 4.340 0.000 0.000 0.216 565 L C 2.610 179.254 176.870 -0.375 0.000 1.073 565 L CA 0.918 55.495 54.840 -0.438 0.000 0.762 565 L CB -0.592 40.904 42.059 -0.938 0.000 0.889 565 L HN 0.245 nan 8.230 nan 0.000 0.433 566 L N -0.106 120.843 121.223 -0.457 0.000 1.991 566 L HA -0.323 4.017 4.340 0.000 0.000 0.221 566 L C 2.784 179.414 176.870 -0.400 0.000 1.079 566 L CA 2.550 57.221 54.840 -0.283 0.000 0.778 566 L CB -1.360 40.501 42.059 -0.330 0.000 0.893 566 L HN 0.377 nan 8.230 nan 0.000 0.437 567 A N -1.055 121.553 122.820 -0.354 0.000 1.908 567 A HA -0.309 4.011 4.320 0.000 0.000 0.218 567 A C 2.211 179.575 177.584 -0.368 0.000 1.181 567 A CA 1.945 53.774 52.037 -0.347 0.000 0.627 567 A CB -0.672 18.219 19.000 -0.182 0.000 0.818 567 A HN 0.654 nan 8.150 nan 0.000 0.445 568 Q N -1.826 117.832 119.800 -0.237 0.000 2.291 568 Q HA -0.209 4.131 4.340 0.000 0.000 0.206 568 Q C -0.266 175.729 176.000 -0.009 0.000 0.976 568 Q CA 1.097 56.839 55.803 -0.102 0.000 0.875 568 Q CB -0.157 28.535 28.738 -0.076 0.000 0.927 568 Q HN 0.737 nan 8.270 nan 0.000 0.450 569 H N -1.992 117.089 119.070 0.019 0.000 2.770 569 H HA -0.151 4.405 4.556 0.000 0.000 0.309 569 H C -0.357 174.998 175.328 0.045 0.000 1.206 569 H CA 0.990 57.063 56.048 0.041 0.000 1.147 569 H CB -1.790 27.989 29.762 0.028 0.000 1.422 569 H HN 0.410 nan 8.280 nan 0.000 0.420 570 G N -0.091 108.785 108.800 0.125 0.000 2.788 570 G HA2 0.431 4.391 3.960 0.000 0.000 0.327 570 G HA3 0.431 4.391 3.960 0.000 0.000 0.327 570 G C 0.935 175.909 174.900 0.123 0.000 1.249 570 G CA 0.257 45.419 45.100 0.104 0.000 1.063 570 G HN 0.533 nan 8.290 nan 0.000 0.497 571 V N 2.551 122.530 119.914 0.109 0.000 1.282 571 V HA -0.436 3.684 4.120 0.000 0.000 0.028 571 V C 1.723 177.886 176.094 0.116 0.000 1.758 571 V CA 3.266 65.621 62.300 0.091 0.000 2.654 571 V CB -1.577 30.285 31.823 0.067 0.000 1.549 571 V HN 0.966 nan 8.190 nan 0.000 0.905 572 Y N 1.178 121.497 120.300 0.031 0.000 2.130 572 Y HA 0.134 4.684 4.550 0.000 0.000 0.287 572 Y C 2.327 178.258 175.900 0.053 0.000 1.124 572 Y CA 3.198 61.317 58.100 0.032 0.000 1.118 572 Y CB -0.976 37.490 38.460 0.009 0.000 0.994 572 Y HN 0.415 nan 8.280 nan 0.000 0.497 573 A N 0.884 123.961 122.820 0.428 0.000 1.903 573 A HA -0.328 3.992 4.320 0.000 0.000 0.219 573 A C 2.270 179.953 177.584 0.166 0.000 1.191 573 A CA 2.205 54.436 52.037 0.324 0.000 0.638 573 A CB -1.125 18.023 19.000 0.246 0.000 0.823 573 A HN 0.640 nan 8.150 nan 0.000 0.451 574 Q N -0.244 119.623 119.800 0.112 0.000 2.062 574 Q HA -0.206 4.134 4.340 0.000 0.000 0.209 574 Q C 2.168 178.143 176.000 -0.041 0.000 0.996 574 Q CA 2.173 57.996 55.803 0.033 0.000 0.859 574 Q CB -0.452 28.302 28.738 0.027 0.000 0.920 574 Q HN 0.743 nan 8.270 nan 0.000 0.415 575 L N -0.593 120.588 121.223 -0.071 0.000 2.083 575 L HA -0.200 4.140 4.340 0.000 0.000 0.209 575 L C 2.469 179.248 176.870 -0.150 0.000 1.083 575 L CA 1.377 56.134 54.840 -0.138 0.000 0.752 575 L CB -0.590 41.359 42.059 -0.183 0.000 0.899 575 L HN 0.299 nan 8.230 nan 0.000 0.433 576 H N 0.108 119.026 119.070 -0.254 0.000 2.546 576 H HA -0.085 4.471 4.556 0.000 0.000 0.277 576 H C 2.063 177.228 175.328 -0.271 0.000 1.004 576 H CA 0.933 56.861 56.048 -0.199 0.000 1.231 576 H CB 0.211 29.959 29.762 -0.022 0.000 1.382 576 H HN 0.035 nan 8.280 nan 0.000 0.580 577 K N -0.000 120.234 120.400 -0.276 0.000 2.063 577 K HA -0.023 4.297 4.320 0.000 0.000 0.204 577 K C 1.798 178.027 176.600 -0.617 0.000 1.039 577 K CA 0.806 56.840 56.287 -0.421 0.000 0.957 577 K CB -0.105 32.299 32.500 -0.160 0.000 0.764 577 K HN 0.243 nan 8.250 nan 0.000 0.447 578 M N 1.969 121.355 119.600 -0.356 0.000 2.331 578 M HA -0.190 4.290 4.480 0.000 0.000 0.260 578 M C 1.881 177.948 176.300 -0.388 0.000 1.072 578 M CA 1.256 56.378 55.300 -0.297 0.000 1.065 578 M CB -1.084 31.404 32.600 -0.187 0.000 1.392 578 M HN 0.243 nan 8.290 nan 0.000 0.427 579 Q N 0.696 120.180 119.800 -0.526 0.000 2.207 579 Q HA -0.201 4.139 4.340 0.000 0.000 0.215 579 Q C 0.654 176.469 176.000 -0.308 0.000 1.006 579 Q CA 1.927 57.462 55.803 -0.448 0.000 0.903 579 Q CB -0.071 28.314 28.738 -0.590 0.000 0.947 579 Q HN 0.599 nan 8.270 nan 0.000 0.414 580 F N -3.787 116.118 119.950 -0.076 0.000 3.430 580 F HA 0.724 5.251 4.527 0.000 0.000 0.299 580 F C 0.556 176.329 175.800 -0.045 0.000 1.472 580 F CA -0.410 57.556 58.000 -0.056 0.000 1.004 580 F CB 0.194 39.159 39.000 -0.058 0.000 1.708 580 F HN 0.031 nan 8.300 nan 0.000 0.435 581 G N 0.000 109.023 108.800 0.372 0.000 5.446 581 G HA2 0.000 3.960 3.960 0.000 0.000 0.244 581 G HA3 0.000 3.960 3.960 0.000 0.000 0.244 581 G CA 0.000 45.214 45.100 0.190 0.000 0.502 581 G HN 0.000 nan 8.290 nan 0.000 0.925