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 2b0t_1_A DATA FIRST_RESID 2 DATA SEQUENCE AKIIWTRTDE APLLATYSLK PVVEAFAATA GIEVETRDIS LAGRILAQFP DATA SEQUENCE ERLTEDQKVG NALAELGELA KTPEANIIKL PNISASVPQL KAAIKELQDQ DATA SEQUENCE GYDIPELPDN ATTDEEKDIL ARYNAVKGSA VNPVLREGNS DRRAPIAVKN DATA SEQUENCE FVKKFPHRMG EWSADSKTNV ATMDANDFRH NEKSIILDAA DEVQIKHIAA DATA SEQUENCE DGTETILKDS LKLLEGEVLD GTVLSAKALD AFLLEQVARA KAEGILFSAH DATA SEQUENCE LKATMMKVSD PIIFGHVVRA YFADVFAQYG EQLLAAGLNG ENGLAAILSG DATA SEQUENCE LESLDNGEEI KAAFEKGLED GPDLAMVNSA RGITNLHVPS DVIVDASMPA DATA SEQUENCE MIRTSGHMWN KDDQEQDTLA IIPDSSYAGV YQTVIEDCRK NGAFDPTTMG DATA SEQUENCE TVPNVGLMAQ KAEEYGSHDK TFRIEADGVV QVVSSNGDVL IEHDVEANDI DATA SEQUENCE WRACQVKDAP IQDWVKLAVT RSRLSGMPAV FWLDPERAHD RNLASLVEKY DATA SEQUENCE LADHDTEGLD IQILSPVEAT QLSIDRIRRG EDTISVTGNV LRDYNTDLFP DATA SEQUENCE ILELGTSAKM LSVVPLMAGG GLFETGAGGS APKHVQQVQE ENHLRWDSLG DATA SEQUENCE EFLALAESFR HELNNNGNTK AGVLADALDK ATEKLLNEEK SPSRKVGEID DATA SEQUENCE NRGSHFWLTK FWADELAAQT EDADLAATFA PVAEALNTGA ADIDAALLAV DATA SEQUENCE QGGATDLGGY YSPNEEKLTN IMRPVAQFNE IVDAL 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 2 A HA 0.000 nan 4.320 nan 0.000 0.244 2 A C 0.000 177.648 177.584 0.107 0.000 1.274 2 A CA 0.000 52.097 52.037 0.100 0.000 0.836 2 A CB 0.000 19.074 19.000 0.124 0.000 0.831 3 K N 1.017 121.482 120.400 0.109 0.000 2.469 3 K HA 0.842 5.155 4.320 -0.011 0.000 0.254 3 K C -1.488 175.181 176.600 0.115 0.000 0.939 3 K CA -0.658 55.693 56.287 0.107 0.000 0.812 3 K CB 2.007 34.556 32.500 0.082 0.000 1.301 3 K HN 0.529 nan 8.250 nan 0.000 0.433 4 I N 3.071 123.713 120.570 0.120 0.000 2.359 4 I HA 0.275 4.438 4.170 -0.011 0.000 0.294 4 I C -0.356 175.839 176.117 0.131 0.000 0.987 4 I CA -1.260 60.113 61.300 0.121 0.000 1.225 4 I CB 1.330 39.395 38.000 0.107 0.000 1.366 4 I HN 0.498 nan 8.210 nan 0.000 0.466 5 I N 6.048 126.686 120.570 0.114 0.000 2.315 5 I HA 0.128 4.292 4.170 -0.011 0.000 0.291 5 I C -0.471 175.732 176.117 0.144 0.000 1.006 5 I CA -0.424 60.944 61.300 0.113 0.000 1.265 5 I CB 1.184 39.219 38.000 0.059 0.000 1.387 5 I HN 0.622 nan 8.210 nan 0.000 0.475 6 W N 7.933 129.226 121.300 -0.013 0.000 2.291 6 W HA 0.225 4.878 4.660 -0.010 0.000 0.312 6 W C 0.023 176.527 176.519 -0.024 0.000 1.061 6 W CA -0.655 56.678 57.345 -0.020 0.000 1.296 6 W CB 1.429 30.870 29.460 -0.032 0.000 1.223 6 W HN 0.604 nan 8.180 nan 0.000 0.421 7 T N 3.007 117.486 114.554 -0.125 0.000 2.867 7 T HA 0.116 4.460 4.350 -0.011 0.000 0.297 7 T C 0.188 174.905 174.700 0.028 0.000 0.989 7 T CA -0.236 61.831 62.100 -0.054 0.000 1.159 7 T CB 1.016 69.814 68.868 -0.118 0.000 0.928 7 T HN 0.547 nan 8.240 nan 0.000 0.538 8 R N 3.337 123.883 120.500 0.075 0.000 2.216 8 R HA 0.359 4.692 4.340 -0.011 0.000 0.332 8 R C 0.880 177.205 176.300 0.041 0.000 1.056 8 R CA -0.220 55.936 56.100 0.094 0.000 0.901 8 R CB 0.401 30.750 30.300 0.082 0.000 1.039 8 R HN 1.025 nan 8.270 nan 0.000 0.456 9 T N 0.147 114.714 114.554 0.022 0.000 1.938 9 T HA 0.375 4.719 4.350 -0.011 0.000 0.190 9 T C -0.223 174.461 174.700 -0.027 0.000 0.738 9 T CA -0.468 61.622 62.100 -0.018 0.000 1.390 9 T CB 0.485 69.317 68.868 -0.060 0.000 3.294 9 T HN 0.460 nan 8.240 nan 0.000 0.416 10 D N -0.117 120.237 120.400 -0.078 0.000 2.531 10 D HA 0.421 5.055 4.640 -0.011 0.000 0.244 10 D C 0.150 176.320 176.300 -0.217 0.000 1.090 10 D CA -0.484 53.454 54.000 -0.104 0.000 0.989 10 D CB 2.165 42.947 40.800 -0.030 0.000 1.433 10 D HN 0.761 nan 8.370 nan 0.000 0.492 11 E N 0.217 120.241 120.200 -0.294 0.000 3.498 11 E HA -0.385 3.958 4.350 -0.011 0.000 0.395 11 E C 1.383 177.758 176.600 -0.374 0.000 1.577 11 E CA 1.528 57.698 56.400 -0.384 0.000 1.700 11 E CB -1.002 28.529 29.700 -0.282 0.000 1.647 11 E HN 0.542 nan 8.360 nan 0.000 0.442 12 A N 0.816 123.392 122.820 -0.407 0.000 1.859 12 A HA -0.161 4.152 4.320 -0.011 0.000 0.217 12 A C -0.198 176.864 177.584 -0.871 0.000 1.198 12 A CA 2.833 54.561 52.037 -0.516 0.000 0.629 12 A CB -1.776 16.987 19.000 -0.394 0.000 0.830 12 A HN 0.513 nan 8.150 nan 0.000 0.446 13 P HA -0.135 nan 4.420 nan 0.000 0.220 13 P C 1.655 178.771 177.300 -0.307 0.000 1.148 13 P CA 1.205 63.750 63.100 -0.925 0.000 0.803 13 P CB -0.169 31.111 31.700 -0.700 0.000 0.782 14 L N -0.385 120.693 121.223 -0.242 0.000 2.017 14 L HA -0.122 4.212 4.340 -0.011 0.000 0.208 14 L C 2.591 179.499 176.870 0.063 0.000 1.073 14 L CA 1.685 56.506 54.840 -0.031 0.000 0.745 14 L CB -1.410 40.604 42.059 -0.074 0.000 0.894 14 L HN -0.198 nan 8.230 nan 0.000 0.432 15 L N -0.389 120.780 121.223 -0.090 0.000 2.012 15 L HA -0.221 4.112 4.340 -0.011 0.000 0.210 15 L C 2.752 179.679 176.870 0.095 0.000 1.073 15 L CA 1.360 56.171 54.840 -0.048 0.000 0.748 15 L CB -1.089 40.900 42.059 -0.116 0.000 0.891 15 L HN 0.424 nan 8.230 nan 0.000 0.431 16 A N -0.498 122.358 122.820 0.060 0.000 1.948 16 A HA -0.241 4.072 4.320 -0.011 0.000 0.220 16 A C 2.338 180.116 177.584 0.323 0.000 1.177 16 A CA 2.476 54.661 52.037 0.248 0.000 0.636 16 A CB -0.997 18.165 19.000 0.270 0.000 0.815 16 A HN 0.411 nan 8.150 nan 0.000 0.449 17 T N -1.353 113.358 114.554 0.261 0.000 2.759 17 T HA -0.174 4.170 4.350 -0.011 0.000 0.269 17 T C 1.590 176.312 174.700 0.037 0.000 1.042 17 T CA 1.779 64.007 62.100 0.214 0.000 1.140 17 T CB -0.442 68.606 68.868 0.300 0.000 0.864 17 T HN 0.573 nan 8.240 nan 0.000 0.455 18 Y N 0.739 121.049 120.300 0.017 0.000 2.497 18 Y HA -0.020 4.523 4.550 -0.011 0.000 0.292 18 Y C 2.814 178.713 175.900 -0.002 0.000 1.137 18 Y CA 0.754 58.848 58.100 -0.011 0.000 1.285 18 Y CB -0.234 38.223 38.460 -0.006 0.000 0.991 18 Y HN 0.204 nan 8.280 nan 0.000 0.556 19 S N -1.104 114.712 115.700 0.194 0.000 2.452 19 S HA -0.037 4.427 4.470 -0.011 0.000 0.225 19 S C 1.833 176.484 174.600 0.086 0.000 1.057 19 S CA 0.359 58.685 58.200 0.210 0.000 0.949 19 S CB -0.441 63.000 63.200 0.402 0.000 0.836 19 S HN 0.290 nan 8.310 nan 0.000 0.518 20 L N 2.341 123.536 121.223 -0.046 0.000 2.095 20 L HA 0.292 4.626 4.340 -0.011 0.000 0.204 20 L C 2.339 178.941 176.870 -0.446 0.000 1.080 20 L CA 1.679 56.300 54.840 -0.366 0.000 0.759 20 L CB -0.816 40.922 42.059 -0.534 0.000 0.914 20 L HN 0.163 nan 8.230 nan 0.000 0.439 21 K N 0.105 120.151 120.400 -0.591 0.000 2.074 21 K HA -0.158 4.156 4.320 -0.011 0.000 0.209 21 K C -0.413 175.926 176.600 -0.436 0.000 1.048 21 K CA 2.028 57.831 56.287 -0.806 0.000 0.926 21 K CB -1.381 30.618 32.500 -0.835 0.000 0.713 21 K HN 0.271 nan 8.250 nan 0.000 0.444 22 P HA -0.104 nan 4.420 nan 0.000 0.216 22 P C 1.577 178.801 177.300 -0.126 0.000 1.150 22 P CA 0.864 63.852 63.100 -0.187 0.000 0.837 22 P CB 0.096 31.698 31.700 -0.164 0.000 0.786 23 V N -0.644 119.191 119.914 -0.132 0.000 2.307 23 V HA -0.178 3.935 4.120 -0.011 0.000 0.245 23 V C 2.427 178.556 176.094 0.060 0.000 1.045 23 V CA 1.619 63.906 62.300 -0.022 0.000 1.024 23 V CB -1.145 30.642 31.823 -0.061 0.000 0.651 23 V HN -0.045 nan 8.190 nan 0.000 0.449 24 V N 0.195 120.076 119.914 -0.055 0.000 2.332 24 V HA -0.331 3.783 4.120 -0.011 0.000 0.248 24 V C 2.453 178.628 176.094 0.135 0.000 1.055 24 V CA 2.472 64.806 62.300 0.057 0.000 1.038 24 V CB -0.642 31.053 31.823 -0.215 0.000 0.651 24 V HN 0.707 nan 8.190 nan 0.000 0.450 25 E N 0.339 120.543 120.200 0.007 0.000 2.058 25 E HA -0.244 4.100 4.350 -0.011 0.000 0.194 25 E C 2.227 178.885 176.600 0.098 0.000 0.997 25 E CA 1.491 57.915 56.400 0.041 0.000 0.801 25 E CB -0.273 29.405 29.700 -0.038 0.000 0.746 25 E HN 0.556 nan 8.360 nan 0.000 0.450 26 A N 0.271 123.154 122.820 0.106 0.000 1.877 26 A HA -0.157 4.156 4.320 -0.011 0.000 0.216 26 A C 1.931 179.591 177.584 0.127 0.000 1.186 26 A CA 1.406 53.497 52.037 0.090 0.000 0.620 26 A CB -0.874 18.178 19.000 0.088 0.000 0.822 26 A HN 0.361 nan 8.150 nan 0.000 0.443 27 F N 0.067 120.013 119.950 -0.006 0.000 2.146 27 F HA -0.010 4.510 4.527 -0.010 0.000 0.298 27 F C 2.821 178.663 175.800 0.070 0.000 1.096 27 F CA 0.744 58.723 58.000 -0.036 0.000 1.275 27 F CB -0.752 37.966 39.000 -0.471 0.000 1.008 27 F HN 0.250 nan 8.300 nan 0.000 0.480 28 A N 0.026 123.093 122.820 0.412 0.000 1.940 28 A HA -0.100 4.214 4.320 -0.011 0.000 0.219 28 A C 2.413 180.131 177.584 0.223 0.000 1.176 28 A CA 1.706 54.001 52.037 0.431 0.000 0.631 28 A CB -1.318 17.963 19.000 0.467 0.000 0.814 28 A HN 0.300 nan 8.150 nan 0.000 0.446 29 A N -0.183 122.721 122.820 0.140 0.000 2.024 29 A HA -0.127 4.186 4.320 -0.011 0.000 0.220 29 A C 2.316 179.915 177.584 0.024 0.000 1.164 29 A CA 2.365 54.440 52.037 0.064 0.000 0.643 29 A CB -1.376 17.634 19.000 0.018 0.000 0.806 29 A HN 0.879 nan 8.150 nan 0.000 0.451 30 T N -3.651 110.910 114.554 0.011 0.000 3.113 30 T HA 0.331 4.675 4.350 -0.011 0.000 0.263 30 T C 1.110 175.816 174.700 0.009 0.000 1.143 30 T CA 1.177 63.265 62.100 -0.021 0.000 1.090 30 T CB -0.108 68.751 68.868 -0.014 0.000 0.922 30 T HN 0.617 nan 8.240 nan 0.000 0.521 31 A N 0.085 122.923 122.820 0.031 0.000 2.503 31 A HA 0.706 5.019 4.320 -0.011 0.000 0.263 31 A C 1.618 179.234 177.584 0.054 0.000 1.258 31 A CA 0.117 52.168 52.037 0.024 0.000 0.936 31 A CB -0.581 18.414 19.000 -0.008 0.000 1.070 31 A HN 1.239 nan 8.150 nan 0.000 0.522 32 G N -0.025 108.806 108.800 0.052 0.000 2.176 32 G HA2 -0.226 3.728 3.960 -0.011 0.000 0.252 32 G HA3 -0.226 3.728 3.960 -0.011 0.000 0.252 32 G C -0.080 174.872 174.900 0.087 0.000 1.024 32 G CA 0.566 45.699 45.100 0.055 0.000 0.755 32 G HN 0.549 nan 8.290 nan 0.000 0.507 33 I N 0.226 120.872 120.570 0.125 0.000 2.378 33 I HA 0.366 4.530 4.170 -0.011 0.000 0.291 33 I C 0.368 176.570 176.117 0.142 0.000 0.992 33 I CA -0.756 60.641 61.300 0.162 0.000 1.154 33 I CB 1.579 39.740 38.000 0.268 0.000 1.315 33 I HN 0.071 nan 8.210 nan 0.000 0.448 34 E N 4.736 125.003 120.200 0.113 0.000 2.301 34 E HA 0.469 4.812 4.350 -0.011 0.000 0.275 34 E C -1.143 175.516 176.600 0.100 0.000 1.030 34 E CA -0.567 55.886 56.400 0.088 0.000 0.852 34 E CB 2.272 32.012 29.700 0.065 0.000 1.060 34 E HN 0.259 nan 8.360 nan 0.000 0.401 35 V N 3.333 123.296 119.914 0.081 0.000 2.444 35 V HA 0.287 4.401 4.120 -0.011 0.000 0.294 35 V C -0.423 175.703 176.094 0.054 0.000 1.022 35 V CA -0.564 61.786 62.300 0.084 0.000 0.850 35 V CB 1.525 33.389 31.823 0.069 0.000 0.992 35 V HN 0.667 nan 8.190 nan 0.000 0.426 36 E N 1.850 122.097 120.200 0.078 0.000 2.288 36 E HA 0.622 4.966 4.350 -0.011 0.000 0.268 36 E C -0.560 176.095 176.600 0.092 0.000 0.885 36 E CA -0.722 55.712 56.400 0.056 0.000 0.767 36 E CB 2.597 32.325 29.700 0.046 0.000 1.220 36 E HN 0.789 nan 8.360 nan 0.000 0.427 37 T N -0.018 114.573 114.554 0.061 0.000 2.934 37 T HA 0.606 4.949 4.350 -0.011 0.000 0.283 37 T C -0.077 174.660 174.700 0.061 0.000 1.005 37 T CA -1.024 61.132 62.100 0.094 0.000 1.041 37 T CB 1.125 70.023 68.868 0.049 0.000 1.042 37 T HN 0.168 nan 8.240 nan 0.000 0.505 38 R N 1.300 121.838 120.500 0.063 0.000 2.574 38 R HA 0.371 4.704 4.340 -0.011 0.000 0.288 38 R C -1.607 174.713 176.300 0.033 0.000 1.004 38 R CA -0.763 55.359 56.100 0.037 0.000 0.895 38 R CB 1.859 32.176 30.300 0.028 0.000 1.191 38 R HN 0.815 nan 8.270 nan 0.000 0.444 39 D N 3.383 123.799 120.400 0.027 0.000 2.365 39 D HA 0.162 4.796 4.640 -0.011 0.000 0.237 39 D C 0.824 177.132 176.300 0.013 0.000 1.190 39 D CA -0.277 53.738 54.000 0.026 0.000 0.867 39 D CB 0.420 41.237 40.800 0.029 0.000 1.050 39 D HN 0.590 nan 8.370 nan 0.000 0.491 40 I N 0.952 121.527 120.570 0.008 0.000 3.762 40 I HA 0.264 4.427 4.170 -0.011 0.000 0.333 40 I C 0.295 176.413 176.117 0.002 0.000 1.566 40 I CA -0.737 60.562 61.300 -0.002 0.000 1.129 40 I CB 0.059 38.050 38.000 -0.015 0.000 1.218 40 I HN 0.126 nan 8.210 nan 0.000 0.456 41 S N 0.713 116.421 115.700 0.013 0.000 2.589 41 S HA 0.127 4.591 4.470 -0.011 0.000 0.265 41 S C 1.020 175.635 174.600 0.025 0.000 1.342 41 S CA -0.526 57.688 58.200 0.022 0.000 1.005 41 S CB 1.698 64.918 63.200 0.033 0.000 0.909 41 S HN 0.443 nan 8.310 nan 0.000 0.555 42 L N 1.882 123.132 121.223 0.044 0.000 2.046 42 L HA 0.048 4.382 4.340 -0.011 0.000 0.208 42 L C 2.584 179.465 176.870 0.019 0.000 1.077 42 L CA 2.428 57.286 54.840 0.030 0.000 0.747 42 L CB -1.668 40.410 42.059 0.031 0.000 0.896 42 L HN 0.937 nan 8.230 nan 0.000 0.432 43 A N -0.369 122.473 122.820 0.035 0.000 1.883 43 A HA -0.107 4.206 4.320 -0.011 0.000 0.217 43 A C 2.362 179.925 177.584 -0.035 0.000 1.186 43 A CA 1.765 53.802 52.037 0.000 0.000 0.624 43 A CB -1.690 17.325 19.000 0.023 0.000 0.822 43 A HN 0.545 nan 8.150 nan 0.000 0.444 44 G N -0.829 107.960 108.800 -0.018 0.000 2.418 44 G HA2 -0.217 3.737 3.960 -0.011 0.000 0.217 44 G HA3 -0.217 3.737 3.960 -0.011 0.000 0.217 44 G C 1.736 176.629 174.900 -0.012 0.000 1.158 44 G CA 0.843 45.929 45.100 -0.024 0.000 0.771 44 G HN 0.566 nan 8.290 nan 0.000 0.545 45 R N -0.360 120.141 120.500 0.002 0.000 2.189 45 R HA 0.162 4.495 4.340 -0.011 0.000 0.218 45 R C 2.424 178.739 176.300 0.025 0.000 1.074 45 R CA 0.451 56.553 56.100 0.004 0.000 0.991 45 R CB -0.217 30.085 30.300 0.005 0.000 0.883 45 R HN 0.396 nan 8.270 nan 0.000 0.457 46 I N 0.640 121.244 120.570 0.057 0.000 2.233 46 I HA -0.253 3.911 4.170 -0.011 0.000 0.243 46 I C 2.094 178.310 176.117 0.165 0.000 1.093 46 I CA 1.173 62.566 61.300 0.155 0.000 1.380 46 I CB -0.155 37.947 38.000 0.170 0.000 1.067 46 I HN 0.121 nan 8.210 nan 0.000 0.413 47 L N 0.646 121.905 121.223 0.060 0.000 2.131 47 L HA -0.198 4.135 4.340 -0.011 0.000 0.210 47 L C 2.764 179.670 176.870 0.060 0.000 1.092 47 L CA 1.149 56.019 54.840 0.051 0.000 0.759 47 L CB -0.745 41.262 42.059 -0.086 0.000 0.903 47 L HN 0.251 nan 8.230 nan 0.000 0.435 48 A N -0.815 122.011 122.820 0.010 0.000 2.070 48 A HA -0.189 4.125 4.320 -0.011 0.000 0.220 48 A C 2.201 179.729 177.584 -0.093 0.000 1.159 48 A CA 1.206 53.226 52.037 -0.027 0.000 0.656 48 A CB -0.221 18.759 19.000 -0.033 0.000 0.800 48 A HN 0.401 nan 8.150 nan 0.000 0.453 49 Q N -1.604 118.096 119.800 -0.166 0.000 2.331 49 Q HA 0.089 4.422 4.340 -0.011 0.000 0.203 49 Q C -0.373 175.183 176.000 -0.740 0.000 0.944 49 Q CA 0.686 56.188 55.803 -0.501 0.000 0.892 49 Q CB 0.052 28.326 28.738 -0.773 0.000 0.983 49 Q HN 0.740 nan 8.270 nan 0.000 0.482 50 F N 1.040 120.937 119.950 -0.088 0.000 2.597 50 F HA 0.269 4.790 4.527 -0.011 0.000 0.336 50 F C -1.530 174.256 175.800 -0.022 0.000 1.432 50 F CA -1.878 56.082 58.000 -0.067 0.000 1.120 50 F CB 1.016 39.970 39.000 -0.076 0.000 1.253 50 F HN -0.062 nan 8.300 nan 0.000 0.546 51 P HA -0.226 nan 4.420 nan 0.000 0.218 51 P C 1.275 178.622 177.300 0.078 0.000 1.149 51 P CA 1.541 64.683 63.100 0.071 0.000 0.817 51 P CB 0.260 31.975 31.700 0.024 0.000 0.785 52 E N 0.944 121.189 120.200 0.074 0.000 2.472 52 E HA -0.149 4.195 4.350 -0.011 0.000 0.200 52 E C 1.454 178.101 176.600 0.078 0.000 1.046 52 E CA 0.724 57.163 56.400 0.064 0.000 0.871 52 E CB -0.580 29.150 29.700 0.051 0.000 0.806 52 E HN 0.290 nan 8.360 nan 0.000 0.533 53 R N 0.115 120.681 120.500 0.110 0.000 2.397 53 R HA 0.386 4.720 4.340 -0.011 0.000 0.241 53 R C 0.178 176.530 176.300 0.086 0.000 0.914 53 R CA -0.097 56.057 56.100 0.090 0.000 1.071 53 R CB 0.468 30.821 30.300 0.088 0.000 1.116 53 R HN 0.080 nan 8.270 nan 0.000 0.524 54 L N 0.489 121.771 121.223 0.099 0.000 2.334 54 L HA 0.417 4.751 4.340 -0.011 0.000 0.273 54 L C 0.588 177.497 176.870 0.065 0.000 1.013 54 L CA -1.068 53.834 54.840 0.104 0.000 0.816 54 L CB 1.837 43.990 42.059 0.157 0.000 1.278 54 L HN 0.025 nan 8.230 nan 0.000 0.431 55 T N -2.979 111.601 114.554 0.044 0.000 2.813 55 T HA 0.094 4.438 4.350 -0.011 0.000 0.297 55 T C 0.993 175.714 174.700 0.036 0.000 1.036 55 T CA -0.638 61.477 62.100 0.025 0.000 1.044 55 T CB 1.174 70.043 68.868 0.001 0.000 0.993 55 T HN 0.536 nan 8.240 nan 0.000 0.535 56 E N 0.850 121.066 120.200 0.027 0.000 2.130 56 E HA -0.162 4.182 4.350 -0.011 0.000 0.196 56 E C 1.606 178.227 176.600 0.036 0.000 0.998 56 E CA 1.507 57.925 56.400 0.030 0.000 0.806 56 E CB -0.355 29.357 29.700 0.021 0.000 0.738 56 E HN 0.690 nan 8.360 nan 0.000 0.459 57 D N -0.020 120.398 120.400 0.030 0.000 2.317 57 D HA -0.060 4.574 4.640 -0.011 0.000 0.211 57 D C 1.784 178.122 176.300 0.062 0.000 0.966 57 D CA 0.502 54.523 54.000 0.035 0.000 0.876 57 D CB -0.001 40.810 40.800 0.018 0.000 0.927 57 D HN 0.298 nan 8.370 nan 0.000 0.519 58 Q N 0.132 119.979 119.800 0.078 0.000 2.250 58 Q HA 0.052 4.385 4.340 -0.011 0.000 0.200 58 Q C 0.338 176.449 176.000 0.186 0.000 0.941 58 Q CA 0.348 56.252 55.803 0.168 0.000 0.872 58 Q CB 0.337 29.176 28.738 0.169 0.000 0.965 58 Q HN 0.167 nan 8.270 nan 0.000 0.480 59 K N 1.356 121.828 120.400 0.119 0.000 2.550 59 K HA -0.054 4.260 4.320 -0.011 0.000 0.280 59 K C 0.774 177.420 176.600 0.076 0.000 0.987 59 K CA 0.189 56.531 56.287 0.091 0.000 1.048 59 K CB 0.753 33.290 32.500 0.062 0.000 0.879 59 K HN 0.070 nan 8.250 nan 0.000 0.491 60 V N -0.431 119.518 119.914 0.058 0.000 3.477 60 V HA 0.272 4.385 4.120 -0.011 0.000 0.297 60 V C 0.835 176.944 176.094 0.024 0.000 1.433 60 V CA 0.496 62.820 62.300 0.040 0.000 1.052 60 V CB -0.502 31.337 31.823 0.026 0.000 0.895 60 V HN 1.096 nan 8.190 nan 0.000 0.438 61 G N 1.640 110.452 108.800 0.020 0.000 2.525 61 G HA2 -0.274 3.680 3.960 -0.011 0.000 0.248 61 G HA3 -0.274 3.680 3.960 -0.011 0.000 0.248 61 G C -0.182 174.716 174.900 -0.003 0.000 1.238 61 G CA 0.353 45.458 45.100 0.008 0.000 0.926 61 G HN 0.887 nan 8.290 nan 0.000 0.574 62 N N 0.545 119.240 118.700 -0.007 0.000 2.710 62 N HA 0.543 5.276 4.740 -0.011 0.000 0.244 62 N C 1.106 176.609 175.510 -0.011 0.000 1.321 62 N CA 0.894 53.935 53.050 -0.016 0.000 0.758 62 N CB 0.861 39.332 38.487 -0.027 0.000 1.284 62 N HN 1.138 nan 8.380 nan 0.000 0.530 63 A N 2.000 124.816 122.820 -0.006 0.000 1.883 63 A HA -0.176 4.138 4.320 -0.011 0.000 0.217 63 A C 1.921 179.499 177.584 -0.010 0.000 1.186 63 A CA 1.167 53.202 52.037 -0.003 0.000 0.624 63 A CB -0.350 18.651 19.000 0.002 0.000 0.822 63 A HN 0.527 nan 8.150 nan 0.000 0.444 64 L N -0.209 121.005 121.223 -0.015 0.000 2.012 64 L HA -0.110 4.224 4.340 -0.011 0.000 0.210 64 L C 2.707 179.563 176.870 -0.023 0.000 1.073 64 L CA 2.347 57.175 54.840 -0.021 0.000 0.748 64 L CB -0.974 41.071 42.059 -0.024 0.000 0.891 64 L HN 0.365 nan 8.230 nan 0.000 0.431 65 A N -0.918 121.888 122.820 -0.024 0.000 1.902 65 A HA -0.241 4.072 4.320 -0.011 0.000 0.217 65 A C 2.179 179.752 177.584 -0.019 0.000 1.181 65 A CA 1.859 53.882 52.037 -0.024 0.000 0.623 65 A CB -0.671 18.313 19.000 -0.027 0.000 0.818 65 A HN 0.617 nan 8.150 nan 0.000 0.443 66 E N -0.319 119.873 120.200 -0.014 0.000 2.110 66 E HA -0.124 4.219 4.350 -0.011 0.000 0.193 66 E C 1.889 178.483 176.600 -0.010 0.000 0.988 66 E CA 0.992 57.386 56.400 -0.009 0.000 0.804 66 E CB -0.240 29.458 29.700 -0.003 0.000 0.745 66 E HN 0.624 nan 8.360 nan 0.000 0.458 67 L N 0.012 121.227 121.223 -0.014 0.000 2.156 67 L HA -0.059 4.275 4.340 -0.011 0.000 0.208 67 L C 2.497 179.352 176.870 -0.026 0.000 1.095 67 L CA 0.902 55.731 54.840 -0.019 0.000 0.770 67 L CB -0.485 41.559 42.059 -0.024 0.000 0.914 67 L HN 0.238 nan 8.230 nan 0.000 0.439 68 G N -0.501 108.283 108.800 -0.026 0.000 2.418 68 G HA2 -0.212 3.742 3.960 -0.011 0.000 0.217 68 G HA3 -0.212 3.742 3.960 -0.011 0.000 0.217 68 G C 1.461 176.347 174.900 -0.023 0.000 1.158 68 G CA 0.311 45.394 45.100 -0.028 0.000 0.771 68 G HN 0.245 nan 8.290 nan 0.000 0.545 69 E N 0.144 120.334 120.200 -0.017 0.000 2.072 69 E HA -0.072 4.272 4.350 -0.011 0.000 0.191 69 E C 2.494 179.089 176.600 -0.009 0.000 0.985 69 E CA 0.566 56.959 56.400 -0.012 0.000 0.801 69 E CB -0.538 29.158 29.700 -0.008 0.000 0.750 69 E HN 0.405 nan 8.360 nan 0.000 0.452 70 L N 1.086 122.303 121.223 -0.009 0.000 2.083 70 L HA -0.059 4.275 4.340 -0.011 0.000 0.209 70 L C 2.145 179.008 176.870 -0.013 0.000 1.083 70 L CA 2.036 56.873 54.840 -0.004 0.000 0.752 70 L CB -0.640 41.418 42.059 -0.002 0.000 0.899 70 L HN 0.034 nan 8.230 nan 0.000 0.433 71 A N -0.872 121.932 122.820 -0.026 0.000 2.125 71 A HA -0.185 4.128 4.320 -0.011 0.000 0.219 71 A C 2.131 179.696 177.584 -0.031 0.000 1.156 71 A CA 1.612 53.624 52.037 -0.042 0.000 0.671 71 A CB -0.542 18.425 19.000 -0.054 0.000 0.794 71 A HN 0.563 nan 8.150 nan 0.000 0.459 72 K N 0.059 120.448 120.400 -0.019 0.000 2.417 72 K HA 0.059 4.373 4.320 -0.011 0.000 0.196 72 K C 0.232 176.831 176.600 -0.001 0.000 1.023 72 K CA 0.644 56.924 56.287 -0.012 0.000 1.122 72 K CB 0.156 32.650 32.500 -0.010 0.000 0.850 72 K HN 0.635 nan 8.250 nan 0.000 0.521 73 T N -3.245 111.311 114.554 0.003 0.000 2.930 73 T HA 0.305 4.649 4.350 -0.011 0.000 0.290 73 T C -2.456 172.261 174.700 0.028 0.000 1.052 73 T CA -2.229 59.880 62.100 0.016 0.000 1.017 73 T CB 2.063 70.942 68.868 0.018 0.000 1.137 73 T HN -0.316 nan 8.240 nan 0.000 0.511 74 P HA 0.032 nan 4.420 nan 0.000 0.220 74 P C 0.905 178.263 177.300 0.097 0.000 1.148 74 P CA 0.727 63.868 63.100 0.070 0.000 0.803 74 P CB 0.048 31.784 31.700 0.061 0.000 0.782 75 E N -0.168 120.077 120.200 0.075 0.000 2.409 75 E HA 0.027 4.371 4.350 -0.011 0.000 0.198 75 E C 0.858 177.508 176.600 0.084 0.000 1.024 75 E CA 0.197 56.648 56.400 0.085 0.000 0.861 75 E CB -0.949 28.788 29.700 0.061 0.000 0.788 75 E HN 0.159 nan 8.360 nan 0.000 0.521 76 A N 1.800 124.650 122.820 0.050 0.000 2.522 76 A HA 0.161 4.475 4.320 -0.011 0.000 0.256 76 A C 0.122 177.690 177.584 -0.027 0.000 1.086 76 A CA -0.017 52.024 52.037 0.006 0.000 0.763 76 A CB -0.081 18.899 19.000 -0.034 0.000 1.024 76 A HN 0.073 nan 8.150 nan 0.000 0.502 77 N N 3.033 121.738 118.700 0.009 0.000 2.640 77 N HA 0.356 5.089 4.740 -0.011 0.000 0.262 77 N C -1.605 173.952 175.510 0.078 0.000 1.174 77 N CA -0.247 52.832 53.050 0.049 0.000 0.791 77 N CB 0.551 39.128 38.487 0.149 0.000 1.279 77 N HN 0.520 nan 8.380 nan 0.000 0.535 78 I N 3.602 124.191 120.570 0.031 0.000 2.406 78 I HA 0.449 4.613 4.170 -0.011 0.000 0.290 78 I C 0.146 176.283 176.117 0.034 0.000 0.999 78 I CA -0.724 60.580 61.300 0.008 0.000 1.124 78 I CB 1.982 39.943 38.000 -0.065 0.000 1.289 78 I HN 0.259 nan 8.210 nan 0.000 0.441 79 I N 6.093 126.644 120.570 -0.033 0.000 2.307 79 I HA 0.220 4.384 4.170 -0.011 0.000 0.289 79 I C -0.054 175.877 176.117 -0.311 0.000 1.021 79 I CA -0.627 60.573 61.300 -0.167 0.000 1.224 79 I CB 1.079 38.855 38.000 -0.373 0.000 1.376 79 I HN 0.416 nan 8.210 nan 0.000 0.470 80 K N 7.351 127.617 120.400 -0.223 0.000 2.281 80 K HA 0.504 4.818 4.320 -0.011 0.000 0.272 80 K C -1.218 175.259 176.600 -0.204 0.000 1.048 80 K CA -0.285 55.881 56.287 -0.202 0.000 0.898 80 K CB 0.605 33.025 32.500 -0.134 0.000 1.128 80 K HN 0.361 nan 8.250 nan 0.000 0.460 81 L N 6.254 127.342 121.223 -0.225 0.000 2.375 81 L HA 0.547 4.881 4.340 -0.011 0.000 0.268 81 L C -2.050 174.784 176.870 -0.060 0.000 1.058 81 L CA -2.128 52.627 54.840 -0.142 0.000 0.803 81 L CB 0.881 42.841 42.059 -0.166 0.000 1.212 81 L HN 0.630 nan 8.230 nan 0.000 0.451 82 P HA 0.077 nan 4.420 nan 0.000 0.266 82 P C -1.246 176.034 177.300 -0.034 0.000 1.195 82 P CA 0.078 63.200 63.100 0.038 0.000 0.768 82 P CB 0.326 32.143 31.700 0.195 0.000 0.838 83 N N 1.937 120.622 118.700 -0.025 0.000 2.902 83 N HA 0.337 5.071 4.740 -0.011 0.000 0.268 83 N C -1.114 174.390 175.510 -0.009 0.000 1.450 83 N CA -0.808 52.222 53.050 -0.033 0.000 0.819 83 N CB 1.069 39.538 38.487 -0.030 0.000 1.540 83 N HN 0.103 nan 8.380 nan 0.000 0.545 84 I N 0.879 121.454 120.570 0.007 0.000 2.371 84 I HA 0.104 4.267 4.170 -0.011 0.000 0.290 84 I C 0.109 176.235 176.117 0.015 0.000 1.028 84 I CA -0.271 61.047 61.300 0.030 0.000 1.345 84 I CB 1.225 39.273 38.000 0.079 0.000 1.407 84 I HN 0.380 nan 8.210 nan 0.000 0.501 85 S N 6.202 121.907 115.700 0.009 0.000 2.567 85 S HA 0.414 4.878 4.470 -0.011 0.000 0.262 85 S C 0.402 175.001 174.600 -0.003 0.000 1.237 85 S CA -0.684 57.514 58.200 -0.003 0.000 1.093 85 S CB 0.630 63.824 63.200 -0.011 0.000 1.095 85 S HN 0.732 nan 8.310 nan 0.000 0.489 86 A N 3.168 125.984 122.820 -0.005 0.000 2.598 86 A HA 0.316 4.630 4.320 -0.011 0.000 0.239 86 A C 0.899 178.467 177.584 -0.027 0.000 1.032 86 A CA -0.022 52.003 52.037 -0.020 0.000 0.760 86 A CB -0.061 18.915 19.000 -0.040 0.000 0.946 86 A HN 0.757 nan 8.150 nan 0.000 0.512 87 S N 1.722 117.403 115.700 -0.032 0.000 2.722 87 S HA 0.471 4.935 4.470 -0.011 0.000 0.292 87 S C 1.046 175.611 174.600 -0.059 0.000 1.135 87 S CA -0.230 57.949 58.200 -0.036 0.000 1.003 87 S CB 1.187 64.372 63.200 -0.026 0.000 1.067 87 S HN 0.708 nan 8.310 nan 0.000 0.546 88 V N 1.733 121.612 119.914 -0.059 0.000 2.332 88 V HA -0.070 4.044 4.120 -0.011 0.000 0.248 88 V C -0.827 175.208 176.094 -0.098 0.000 1.055 88 V CA 1.881 64.132 62.300 -0.081 0.000 1.038 88 V CB -1.921 29.863 31.823 -0.066 0.000 0.651 88 V HN 0.721 nan 8.190 nan 0.000 0.450 89 P HA -0.161 nan 4.420 nan 0.000 0.216 89 P C 1.809 179.052 177.300 -0.095 0.000 1.153 89 P CA 1.377 64.433 63.100 -0.072 0.000 0.848 89 P CB -0.034 31.640 31.700 -0.044 0.000 0.787 90 Q N -1.119 118.626 119.800 -0.092 0.000 2.046 90 Q HA -0.155 4.178 4.340 -0.011 0.000 0.200 90 Q C 2.092 177.891 176.000 -0.335 0.000 0.975 90 Q CA 1.011 56.720 55.803 -0.156 0.000 0.836 90 Q CB -0.893 27.806 28.738 -0.064 0.000 0.896 90 Q HN 0.138 nan 8.270 nan 0.000 0.428 91 L N 1.501 122.581 121.223 -0.238 0.000 1.989 91 L HA -0.232 4.101 4.340 -0.011 0.000 0.211 91 L C 1.893 178.585 176.870 -0.297 0.000 1.071 91 L CA 1.937 56.620 54.840 -0.261 0.000 0.749 91 L CB -0.363 41.569 42.059 -0.213 0.000 0.890 91 L HN 0.027 nan 8.230 nan 0.000 0.431 92 K N -0.799 119.454 120.400 -0.244 0.000 2.063 92 K HA -0.138 4.176 4.320 -0.011 0.000 0.208 92 K C 2.065 178.559 176.600 -0.177 0.000 1.048 92 K CA 1.412 57.573 56.287 -0.209 0.000 0.928 92 K CB -0.433 31.977 32.500 -0.150 0.000 0.713 92 K HN 0.490 nan 8.250 nan 0.000 0.442 93 A N 1.460 124.172 122.820 -0.180 0.000 1.902 93 A HA -0.118 4.196 4.320 -0.011 0.000 0.217 93 A C 2.363 179.856 177.584 -0.151 0.000 1.181 93 A CA 1.862 53.834 52.037 -0.108 0.000 0.623 93 A CB -0.662 18.340 19.000 0.003 0.000 0.818 93 A HN 0.343 nan 8.150 nan 0.000 0.443 94 A N -0.192 122.356 122.820 -0.454 0.000 1.930 94 A HA -0.015 4.299 4.320 -0.011 0.000 0.217 94 A C 2.104 179.615 177.584 -0.122 0.000 1.175 94 A CA 1.338 53.157 52.037 -0.364 0.000 0.627 94 A CB -0.555 18.115 19.000 -0.550 0.000 0.815 94 A HN 0.489 nan 8.150 nan 0.000 0.443 95 I N -0.400 120.082 120.570 -0.147 0.000 2.163 95 I HA -0.296 3.868 4.170 -0.011 0.000 0.243 95 I C 2.577 178.674 176.117 -0.034 0.000 1.085 95 I CA 2.006 63.255 61.300 -0.086 0.000 1.347 95 I CB -0.248 37.653 38.000 -0.165 0.000 1.044 95 I HN 0.405 nan 8.210 nan 0.000 0.408 96 K N 1.067 121.444 120.400 -0.039 0.000 2.057 96 K HA -0.262 4.051 4.320 -0.011 0.000 0.207 96 K C 2.117 178.741 176.600 0.041 0.000 1.049 96 K CA 1.788 58.073 56.287 -0.003 0.000 0.931 96 K CB -0.112 32.382 32.500 -0.010 0.000 0.714 96 K HN 0.268 nan 8.250 nan 0.000 0.440 97 E N 0.568 120.810 120.200 0.069 0.000 2.051 97 E HA -0.194 4.150 4.350 -0.011 0.000 0.192 97 E C 2.118 178.796 176.600 0.131 0.000 0.991 97 E CA 1.140 57.610 56.400 0.116 0.000 0.799 97 E CB -0.043 29.774 29.700 0.194 0.000 0.748 97 E HN 0.339 nan 8.360 nan 0.000 0.449 98 L N 0.508 121.802 121.223 0.118 0.000 2.046 98 L HA -0.239 4.095 4.340 -0.011 0.000 0.208 98 L C 2.717 179.740 176.870 0.254 0.000 1.077 98 L CA 1.375 56.324 54.840 0.182 0.000 0.747 98 L CB -0.354 41.729 42.059 0.041 0.000 0.896 98 L HN 0.242 nan 8.230 nan 0.000 0.432 99 Q N -0.364 119.515 119.800 0.132 0.000 2.084 99 Q HA -0.212 4.122 4.340 -0.011 0.000 0.202 99 Q C 1.765 177.810 176.000 0.075 0.000 0.978 99 Q CA 1.491 57.349 55.803 0.093 0.000 0.844 99 Q CB -0.138 28.623 28.738 0.038 0.000 0.898 99 Q HN 0.451 nan 8.270 nan 0.000 0.426 100 D N 0.723 121.166 120.400 0.071 0.000 2.218 100 D HA -0.140 4.494 4.640 -0.011 0.000 0.204 100 D C 1.247 177.579 176.300 0.054 0.000 0.976 100 D CA 1.101 55.132 54.000 0.052 0.000 0.853 100 D CB -0.027 40.804 40.800 0.052 0.000 0.939 100 D HN 0.341 nan 8.370 nan 0.000 0.481 101 Q N -0.874 118.987 119.800 0.102 0.000 2.365 101 Q HA 0.248 4.582 4.340 -0.011 0.000 0.203 101 Q C 1.045 177.002 176.000 -0.071 0.000 0.929 101 Q CA 0.424 56.274 55.803 0.079 0.000 0.948 101 Q CB 0.820 29.693 28.738 0.225 0.000 1.043 101 Q HN 0.304 nan 8.270 nan 0.000 0.505 102 G N 0.165 108.928 108.800 -0.063 0.000 2.179 102 G HA2 -0.267 3.686 3.960 -0.011 0.000 0.220 102 G HA3 -0.267 3.686 3.960 -0.011 0.000 0.220 102 G C -0.363 174.406 174.900 -0.219 0.000 0.990 102 G CA -0.556 44.444 45.100 -0.167 0.000 0.646 102 G HN 0.342 nan 8.290 nan 0.000 0.517 103 Y N 1.641 121.947 120.300 0.009 0.000 2.486 103 Y HA 0.424 4.968 4.550 -0.010 0.000 0.348 103 Y C 0.766 176.658 175.900 -0.014 0.000 1.000 103 Y CA -0.420 57.684 58.100 0.007 0.000 1.253 103 Y CB 0.971 39.443 38.460 0.019 0.000 1.140 103 Y HN 0.046 nan 8.280 nan 0.000 0.526 104 D N 5.313 125.763 120.400 0.084 0.000 2.934 104 D HA 0.070 4.704 4.640 -0.011 0.000 0.237 104 D C -0.113 176.175 176.300 -0.021 0.000 1.158 104 D CA -0.025 53.990 54.000 0.024 0.000 0.971 104 D CB -0.689 40.114 40.800 0.005 0.000 1.123 104 D HN 0.517 nan 8.370 nan 0.000 0.467 105 I N -1.774 118.766 120.570 -0.050 0.000 2.577 105 I HA 0.581 4.745 4.170 -0.011 0.000 0.300 105 I C -2.192 173.787 176.117 -0.229 0.000 0.990 105 I CA -2.118 59.032 61.300 -0.250 0.000 1.283 105 I CB 1.241 39.071 38.000 -0.283 0.000 1.411 105 I HN -0.119 nan 8.210 nan 0.000 0.515 106 P HA 0.145 nan 4.420 nan 0.000 0.274 106 P C -0.759 176.541 177.300 0.000 0.000 1.246 106 P CA -0.194 62.819 63.100 -0.146 0.000 0.795 106 P CB 0.672 32.282 31.700 -0.150 0.000 1.006 107 E N 0.599 120.804 120.200 0.009 0.000 2.408 107 E HA 0.097 4.441 4.350 -0.011 0.000 0.259 107 E C -0.075 176.534 176.600 0.015 0.000 1.110 107 E CA -0.505 55.886 56.400 -0.016 0.000 0.929 107 E CB 0.283 29.970 29.700 -0.021 0.000 0.971 107 E HN 0.398 nan 8.360 nan 0.000 0.438 108 L N 3.912 125.048 121.223 -0.145 0.000 2.315 108 L HA 0.269 4.603 4.340 -0.011 0.000 0.283 108 L C -2.310 174.533 176.870 -0.046 0.000 1.089 108 L CA -1.434 53.288 54.840 -0.196 0.000 0.833 108 L CB 0.326 42.151 42.059 -0.390 0.000 1.170 108 L HN 0.095 nan 8.230 nan 0.000 0.442 109 P HA 0.165 nan 4.420 nan 0.000 0.271 109 P C -0.121 177.185 177.300 0.011 0.000 1.233 109 P CA -0.179 62.942 63.100 0.034 0.000 0.764 109 P CB 0.711 32.452 31.700 0.070 0.000 0.825 110 D N 1.249 121.646 120.400 -0.004 0.000 2.144 110 D HA -0.075 4.558 4.640 -0.011 0.000 0.200 110 D C 0.477 176.778 176.300 0.002 0.000 0.978 110 D CA 1.698 55.692 54.000 -0.009 0.000 0.833 110 D CB -0.114 40.677 40.800 -0.015 0.000 0.961 110 D HN 0.333 nan 8.370 nan 0.000 0.470 111 N N -0.650 118.055 118.700 0.008 0.000 2.549 111 N HA 0.340 5.074 4.740 -0.011 0.000 0.290 111 N C -1.594 173.927 175.510 0.019 0.000 1.122 111 N CA -0.392 52.665 53.050 0.012 0.000 0.885 111 N CB 1.377 39.868 38.487 0.007 0.000 1.455 111 N HN -0.104 nan 8.380 nan 0.000 0.521 112 A N 2.531 125.366 122.820 0.025 0.000 2.473 112 A HA 0.286 4.600 4.320 -0.011 0.000 0.282 112 A C 1.054 178.651 177.584 0.022 0.000 1.163 112 A CA 0.469 52.524 52.037 0.030 0.000 0.827 112 A CB -0.637 18.384 19.000 0.035 0.000 1.098 112 A HN 0.759 nan 8.150 nan 0.000 0.515 113 T N -0.831 113.736 114.554 0.021 0.000 3.129 113 T HA 0.383 4.727 4.350 -0.011 0.000 0.267 113 T C 0.410 175.120 174.700 0.017 0.000 1.018 113 T CA 0.453 62.562 62.100 0.016 0.000 0.903 113 T CB -0.517 68.358 68.868 0.013 0.000 1.067 113 T HN 1.115 nan 8.240 nan 0.000 0.549 114 T N -2.459 112.107 114.554 0.020 0.000 2.821 114 T HA 0.422 4.765 4.350 -0.011 0.000 0.306 114 T C -0.362 174.352 174.700 0.022 0.000 1.313 114 T CA -0.632 61.480 62.100 0.019 0.000 1.012 114 T CB 1.700 70.579 68.868 0.019 0.000 1.298 114 T HN -0.224 nan 8.240 nan 0.000 0.502 115 D N 0.371 120.783 120.400 0.020 0.000 2.149 115 D HA -0.075 4.559 4.640 -0.011 0.000 0.198 115 D C 1.700 178.015 176.300 0.026 0.000 0.990 115 D CA 1.480 55.492 54.000 0.020 0.000 0.839 115 D CB 0.011 40.820 40.800 0.016 0.000 0.948 115 D HN 0.796 nan 8.370 nan 0.000 0.460 116 E N 1.140 121.357 120.200 0.029 0.000 2.047 116 E HA -0.146 4.197 4.350 -0.011 0.000 0.191 116 E C 1.778 178.409 176.600 0.052 0.000 0.987 116 E CA 1.151 57.574 56.400 0.038 0.000 0.799 116 E CB -0.008 29.713 29.700 0.035 0.000 0.752 116 E HN 0.296 nan 8.360 nan 0.000 0.449 117 E N 0.215 120.445 120.200 0.049 0.000 2.110 117 E HA -0.172 4.172 4.350 -0.011 0.000 0.193 117 E C 2.093 178.734 176.600 0.067 0.000 0.988 117 E CA 1.054 57.492 56.400 0.063 0.000 0.804 117 E CB -0.062 29.668 29.700 0.049 0.000 0.745 117 E HN 0.205 nan 8.360 nan 0.000 0.458 118 K N 0.709 121.138 120.400 0.048 0.000 2.057 118 K HA -0.182 4.131 4.320 -0.011 0.000 0.207 118 K C 1.959 178.584 176.600 0.041 0.000 1.049 118 K CA 1.494 57.806 56.287 0.042 0.000 0.931 118 K CB -0.103 32.414 32.500 0.028 0.000 0.714 118 K HN 0.031 nan 8.250 nan 0.000 0.440 119 D N 1.128 121.551 120.400 0.037 0.000 2.084 119 D HA -0.118 4.516 4.640 -0.011 0.000 0.194 119 D C 1.776 178.097 176.300 0.036 0.000 0.990 119 D CA 1.099 55.112 54.000 0.023 0.000 0.826 119 D CB -0.049 40.763 40.800 0.020 0.000 0.971 119 D HN 0.086 nan 8.370 nan 0.000 0.453 120 I N 0.055 120.679 120.570 0.090 0.000 2.208 120 I HA -0.234 3.930 4.170 -0.011 0.000 0.245 120 I C 2.400 178.625 176.117 0.179 0.000 1.097 120 I CA 0.604 62.000 61.300 0.161 0.000 1.363 120 I CB -0.290 37.831 38.000 0.202 0.000 1.051 120 I HN 0.151 nan 8.210 nan 0.000 0.413 121 L N 1.235 122.561 121.223 0.172 0.000 2.046 121 L HA -0.150 4.184 4.340 -0.011 0.000 0.208 121 L C 2.567 179.513 176.870 0.126 0.000 1.077 121 L CA 2.113 57.064 54.840 0.185 0.000 0.747 121 L CB -0.757 41.371 42.059 0.114 0.000 0.896 121 L HN 0.178 nan 8.230 nan 0.000 0.432 122 A N -0.315 122.540 122.820 0.058 0.000 1.883 122 A HA -0.232 4.082 4.320 -0.011 0.000 0.217 122 A C 2.451 180.023 177.584 -0.019 0.000 1.186 122 A CA 1.919 53.965 52.037 0.016 0.000 0.624 122 A CB -0.583 18.412 19.000 -0.008 0.000 0.822 122 A HN 0.518 nan 8.150 nan 0.000 0.444 123 R N -2.101 118.347 120.500 -0.087 0.000 2.092 123 R HA -0.111 4.223 4.340 -0.011 0.000 0.231 123 R C 2.014 178.228 176.300 -0.142 0.000 1.119 123 R CA 1.671 57.632 56.100 -0.232 0.000 0.970 123 R CB -0.421 29.552 30.300 -0.545 0.000 0.864 123 R HN 0.743 nan 8.270 nan 0.000 0.440 124 Y N 0.640 120.966 120.300 0.045 0.000 2.293 124 Y HA -0.117 4.427 4.550 -0.011 0.000 0.291 124 Y C 2.105 178.015 175.900 0.017 0.000 1.137 124 Y CA 0.442 58.586 58.100 0.073 0.000 1.202 124 Y CB 0.073 38.599 38.460 0.109 0.000 0.990 124 Y HN 0.092 nan 8.280 nan 0.000 0.537 125 N N 0.066 118.861 118.700 0.159 0.000 2.381 125 N HA -0.109 4.625 4.740 -0.011 0.000 0.182 125 N C 1.740 177.274 175.510 0.041 0.000 1.025 125 N CA 1.026 54.123 53.050 0.080 0.000 0.888 125 N CB -0.251 38.267 38.487 0.052 0.000 0.965 125 N HN 0.315 nan 8.380 nan 0.000 0.438 126 A N -0.021 122.811 122.820 0.020 0.000 2.168 126 A HA 0.048 4.362 4.320 -0.011 0.000 0.215 126 A C 2.087 179.670 177.584 -0.002 0.000 1.152 126 A CA 0.685 52.714 52.037 -0.012 0.000 0.716 126 A CB 0.081 19.048 19.000 -0.054 0.000 0.794 126 A HN 0.107 nan 8.150 nan 0.000 0.465 127 V N -0.759 119.176 119.914 0.035 0.000 3.379 127 V HA 0.072 4.186 4.120 -0.011 0.000 0.249 127 V C 1.119 177.235 176.094 0.036 0.000 1.184 127 V CA 0.432 62.758 62.300 0.044 0.000 1.106 127 V CB -0.255 31.629 31.823 0.102 0.000 0.826 127 V HN 0.487 nan 8.190 nan 0.000 0.465 128 K N 0.485 120.910 120.400 0.042 0.000 2.276 128 K HA 0.411 4.725 4.320 -0.011 0.000 0.259 128 K C 1.015 177.615 176.600 -0.000 0.000 1.001 128 K CA 0.955 57.251 56.287 0.015 0.000 0.927 128 K CB 0.404 32.913 32.500 0.015 0.000 0.969 128 K HN 0.351 nan 8.250 nan 0.000 0.490 129 G N 0.896 109.690 108.800 -0.010 0.000 2.575 129 G HA2 -0.305 3.648 3.960 -0.011 0.000 0.267 129 G HA3 -0.305 3.648 3.960 -0.011 0.000 0.267 129 G C -0.287 174.603 174.900 -0.017 0.000 1.264 129 G CA 0.062 45.152 45.100 -0.016 0.000 0.935 129 G HN 0.592 nan 8.290 nan 0.000 0.568 130 S N 0.984 116.670 115.700 -0.023 0.000 3.919 130 S HA 0.520 4.984 4.470 -0.011 0.000 0.245 130 S C 1.434 176.019 174.600 -0.025 0.000 1.344 130 S CA 0.774 58.958 58.200 -0.027 0.000 0.896 130 S CB -0.415 62.764 63.200 -0.036 0.000 1.557 130 S HN 1.744 nan 8.310 nan 0.000 0.468 131 A N 3.582 126.390 122.820 -0.020 0.000 2.030 131 A HA 0.146 4.460 4.320 -0.011 0.000 0.215 131 A C 1.846 179.415 177.584 -0.025 0.000 1.164 131 A CA 0.558 52.583 52.037 -0.020 0.000 0.697 131 A CB -0.169 18.823 19.000 -0.014 0.000 0.827 131 A HN 0.616 nan 8.150 nan 0.000 0.457 132 V N 0.792 120.690 119.914 -0.027 0.000 2.302 132 V HA -0.178 3.936 4.120 -0.011 0.000 0.243 132 V C 2.207 178.277 176.094 -0.040 0.000 1.036 132 V CA 1.847 64.127 62.300 -0.033 0.000 1.020 132 V CB -0.915 30.887 31.823 -0.034 0.000 0.657 132 V HN 0.486 nan 8.190 nan 0.000 0.453 133 N N 0.390 119.065 118.700 -0.042 0.000 2.094 133 N HA -0.147 4.587 4.740 -0.011 0.000 0.191 133 N C -0.419 175.064 175.510 -0.045 0.000 1.023 133 N CA 1.939 54.960 53.050 -0.048 0.000 0.857 133 N CB -1.795 36.663 38.487 -0.049 0.000 1.013 133 N HN 0.375 nan 8.380 nan 0.000 0.426 134 P HA -0.076 nan 4.420 nan 0.000 0.217 134 P C 1.560 178.839 177.300 -0.035 0.000 1.148 134 P CA 0.767 63.846 63.100 -0.033 0.000 0.828 134 P CB 0.135 31.819 31.700 -0.027 0.000 0.783 135 V N -1.202 118.691 119.914 -0.036 0.000 2.488 135 V HA -0.115 3.999 4.120 -0.011 0.000 0.246 135 V C 2.228 178.295 176.094 -0.044 0.000 1.046 135 V CA 1.440 63.718 62.300 -0.037 0.000 1.053 135 V CB -0.906 30.896 31.823 -0.035 0.000 0.679 135 V HN 0.076 nan 8.190 nan 0.000 0.458 136 L N -0.725 120.467 121.223 -0.053 0.000 2.354 136 L HA 0.135 4.468 4.340 -0.011 0.000 0.212 136 L C 1.372 178.196 176.870 -0.078 0.000 1.091 136 L CA 0.413 55.213 54.840 -0.067 0.000 0.828 136 L CB -0.212 41.803 42.059 -0.075 0.000 0.973 136 L HN 0.148 nan 8.230 nan 0.000 0.461 137 R N 1.602 122.061 120.500 -0.070 0.000 4.556 137 R HA 0.038 4.372 4.340 -0.011 0.000 0.197 137 R C -0.195 176.068 176.300 -0.062 0.000 1.791 137 R CA -0.114 55.943 56.100 -0.073 0.000 1.526 137 R CB -0.134 30.127 30.300 -0.064 0.000 1.410 137 R HN 0.086 nan 8.270 nan 0.000 0.826 138 E N 1.628 121.789 120.200 -0.065 0.000 2.392 138 E HA 0.162 4.506 4.350 -0.011 0.000 0.307 138 E C 0.452 177.022 176.600 -0.050 0.000 1.505 138 E CA -0.030 56.339 56.400 -0.051 0.000 1.716 138 E CB 0.716 30.387 29.700 -0.048 0.000 1.450 138 E HN 0.706 nan 8.360 nan 0.000 0.484 139 G N 0.662 109.433 108.800 -0.048 0.000 2.321 139 G HA2 0.041 3.995 3.960 -0.011 0.000 0.296 139 G HA3 0.041 3.995 3.960 -0.011 0.000 0.296 139 G C -0.697 174.184 174.900 -0.032 0.000 1.287 139 G CA -0.895 44.182 45.100 -0.037 0.000 0.846 139 G HN 0.111 nan 8.290 nan 0.000 0.508 140 N N -0.492 118.202 118.700 -0.010 0.000 2.448 140 N HA 0.609 5.343 4.740 -0.011 0.000 0.274 140 N C -0.451 175.056 175.510 -0.005 0.000 1.239 140 N CA -0.178 52.875 53.050 0.005 0.000 0.982 140 N CB 1.593 40.127 38.487 0.079 0.000 1.199 140 N HN 0.463 nan 8.380 nan 0.000 0.576 141 S N -0.335 115.369 115.700 0.007 0.000 2.475 141 S HA 0.205 4.669 4.470 -0.011 0.000 0.298 141 S C -1.272 173.329 174.600 0.000 0.000 1.119 141 S CA -0.621 57.573 58.200 -0.009 0.000 1.085 141 S CB 0.455 63.644 63.200 -0.018 0.000 1.028 141 S HN 0.496 nan 8.310 nan 0.000 0.489 142 D N 3.552 123.943 120.400 -0.015 0.000 2.420 142 D HA 0.322 4.956 4.640 -0.011 0.000 0.255 142 D C -0.699 175.594 176.300 -0.011 0.000 1.185 142 D CA -0.415 53.577 54.000 -0.013 0.000 0.904 142 D CB 0.440 41.239 40.800 -0.002 0.000 1.102 142 D HN 0.467 nan 8.370 nan 0.000 0.534 143 R N 3.132 123.620 120.500 -0.021 0.000 2.494 143 R HA 0.739 5.073 4.340 -0.011 0.000 0.305 143 R C -0.166 176.123 176.300 -0.019 0.000 0.959 143 R CA -0.852 55.239 56.100 -0.015 0.000 0.864 143 R CB 2.305 32.596 30.300 -0.016 0.000 1.159 143 R HN 0.319 nan 8.270 nan 0.000 0.446 144 R N 0.819 121.315 120.500 -0.007 0.000 2.774 144 R HA 0.523 4.857 4.340 -0.011 0.000 0.272 144 R C -1.110 175.192 176.300 0.004 0.000 1.000 144 R CA -1.053 55.042 56.100 -0.009 0.000 0.906 144 R CB 1.807 32.103 30.300 -0.007 0.000 1.227 144 R HN 0.589 nan 8.270 nan 0.000 0.468 145 A N 2.503 125.327 122.820 0.007 0.000 2.409 145 A HA 0.400 4.714 4.320 -0.011 0.000 0.267 145 A C -2.149 175.448 177.584 0.021 0.000 1.127 145 A CA -1.398 50.650 52.037 0.019 0.000 0.795 145 A CB -0.284 18.733 19.000 0.028 0.000 1.061 145 A HN 0.369 nan 8.150 nan 0.000 0.502 146 P HA 0.073 nan 4.420 nan 0.000 0.267 146 P C 0.987 178.311 177.300 0.040 0.000 1.209 146 P CA -0.096 63.021 63.100 0.027 0.000 0.763 146 P CB 0.395 32.109 31.700 0.024 0.000 0.816 147 I N 1.613 122.204 120.570 0.035 0.000 2.394 147 I HA -0.165 3.998 4.170 -0.011 0.000 0.251 147 I C 1.734 177.886 176.117 0.060 0.000 1.136 147 I CA 1.550 62.876 61.300 0.043 0.000 1.425 147 I CB -0.700 37.319 38.000 0.031 0.000 1.079 147 I HN 0.209 nan 8.210 nan 0.000 0.425 148 A N 1.146 123.999 122.820 0.054 0.000 1.930 148 A HA -0.048 4.266 4.320 -0.011 0.000 0.217 148 A C 2.354 180.004 177.584 0.110 0.000 1.175 148 A CA 2.025 54.103 52.037 0.068 0.000 0.627 148 A CB -1.018 18.008 19.000 0.042 0.000 0.815 148 A HN 0.374 nan 8.150 nan 0.000 0.443 149 V N 0.004 119.975 119.914 0.096 0.000 2.379 149 V HA -0.178 3.936 4.120 -0.011 0.000 0.245 149 V C 2.490 178.692 176.094 0.179 0.000 1.044 149 V CA 2.221 64.600 62.300 0.132 0.000 1.036 149 V CB -0.603 31.265 31.823 0.076 0.000 0.664 149 V HN 0.596 nan 8.190 nan 0.000 0.453 150 K N 1.292 121.766 120.400 0.123 0.000 2.032 150 K HA -0.191 4.122 4.320 -0.011 0.000 0.209 150 K C 1.895 178.569 176.600 0.122 0.000 1.048 150 K CA 1.928 58.281 56.287 0.111 0.000 0.927 150 K CB -0.492 32.052 32.500 0.073 0.000 0.712 150 K HN 0.392 nan 8.250 nan 0.000 0.441 151 N N -0.303 118.471 118.700 0.123 0.000 2.223 151 N HA -0.143 4.591 4.740 -0.011 0.000 0.185 151 N C 1.519 177.128 175.510 0.164 0.000 1.016 151 N CA 1.071 54.190 53.050 0.115 0.000 0.863 151 N CB -0.351 38.198 38.487 0.103 0.000 0.983 151 N HN 0.216 nan 8.380 nan 0.000 0.429 152 F N 1.462 121.468 119.950 0.093 0.000 2.113 152 F HA -0.080 4.441 4.527 -0.010 0.000 0.297 152 F C 2.093 178.010 175.800 0.196 0.000 1.103 152 F CA 0.775 58.866 58.000 0.151 0.000 1.248 152 F CB -0.413 38.661 39.000 0.122 0.000 0.999 152 F HN -0.221 nan 8.300 nan 0.000 0.475 153 V N 0.735 120.741 119.914 0.154 0.000 2.469 153 V HA -0.319 3.795 4.120 -0.011 0.000 0.251 153 V C 2.293 178.387 176.094 -0.001 0.000 1.064 153 V CA 2.066 64.426 62.300 0.099 0.000 1.066 153 V CB -0.751 31.195 31.823 0.205 0.000 0.667 153 V HN 0.300 nan 8.190 nan 0.000 0.461 154 K N -0.122 120.273 120.400 -0.008 0.000 2.097 154 K HA -0.168 4.146 4.320 -0.011 0.000 0.206 154 K C 2.230 178.737 176.600 -0.154 0.000 1.049 154 K CA 1.324 57.582 56.287 -0.049 0.000 0.933 154 K CB -0.149 32.339 32.500 -0.020 0.000 0.717 154 K HN 0.446 nan 8.250 nan 0.000 0.442 155 K N -0.276 119.984 120.400 -0.233 0.000 2.044 155 K HA 0.003 4.317 4.320 -0.011 0.000 0.204 155 K C 0.190 176.282 176.600 -0.847 0.000 1.049 155 K CA 0.809 56.809 56.287 -0.477 0.000 0.945 155 K CB 0.217 32.495 32.500 -0.369 0.000 0.724 155 K HN -0.013 nan 8.250 nan 0.000 0.440 156 F N 2.251 121.923 119.950 -0.464 0.000 2.449 156 F HA 0.250 4.771 4.527 -0.010 0.000 0.344 156 F C -2.290 173.404 175.800 -0.175 0.000 1.180 156 F CA -2.736 55.050 58.000 -0.357 0.000 1.209 156 F CB 0.807 39.483 39.000 -0.540 0.000 1.440 156 F HN -0.113 nan 8.300 nan 0.000 0.526 157 P HA 0.017 nan 4.420 nan 0.000 0.271 157 P C -0.123 177.215 177.300 0.063 0.000 1.216 157 P CA 0.102 63.212 63.100 0.018 0.000 0.776 157 P CB 0.736 32.387 31.700 -0.081 0.000 0.881 158 H N 2.235 121.350 119.070 0.075 0.000 2.581 158 H HA 0.351 4.901 4.556 -0.010 0.000 0.369 158 H C 0.284 175.660 175.328 0.080 0.000 1.351 158 H CA -0.516 55.584 56.048 0.086 0.000 1.434 158 H CB 0.268 30.085 29.762 0.092 0.000 1.558 158 H HN 0.285 nan 8.280 nan 0.000 0.608 159 R N 0.993 121.557 120.500 0.107 0.000 2.357 159 R HA 0.245 4.578 4.340 -0.011 0.000 0.296 159 R C -0.092 176.248 176.300 0.067 0.000 1.052 159 R CA -0.639 55.488 56.100 0.046 0.000 0.988 159 R CB 0.701 31.052 30.300 0.084 0.000 1.025 159 R HN 0.634 nan 8.270 nan 0.000 0.469 160 M N 1.513 121.131 119.600 0.030 0.000 2.243 160 M HA 0.296 4.770 4.480 -0.011 0.000 0.324 160 M C 0.527 176.887 176.300 0.099 0.000 1.031 160 M CA -0.948 54.410 55.300 0.095 0.000 0.949 160 M CB 1.698 34.349 32.600 0.085 0.000 1.615 160 M HN 0.571 nan 8.290 nan 0.000 0.430 161 G N 1.964 110.826 108.800 0.104 0.000 2.398 161 G HA2 0.149 4.103 3.960 -0.011 0.000 0.246 161 G HA3 0.149 4.103 3.960 -0.011 0.000 0.246 161 G C -0.066 174.852 174.900 0.030 0.000 1.289 161 G CA -0.269 44.840 45.100 0.016 0.000 0.869 161 G HN 0.795 nan 8.290 nan 0.000 0.543 162 E N 1.171 121.369 120.200 -0.004 0.000 2.392 162 E HA 0.092 4.436 4.350 -0.011 0.000 0.264 162 E C -0.773 175.808 176.600 -0.032 0.000 1.024 162 E CA -0.349 56.074 56.400 0.038 0.000 0.903 162 E CB 0.541 30.250 29.700 0.016 0.000 0.963 162 E HN 0.451 nan 8.360 nan 0.000 0.432 163 W N 2.403 123.653 121.300 -0.082 0.000 2.551 163 W HA 0.281 4.932 4.660 -0.014 0.000 0.330 163 W C -0.020 176.457 176.519 -0.070 0.000 1.063 163 W CA -0.431 56.853 57.345 -0.101 0.000 1.222 163 W CB 1.947 31.339 29.460 -0.114 0.000 1.349 163 W HN 0.311 nan 8.180 nan 0.000 0.536 164 S N 1.758 117.539 115.700 0.135 0.000 2.525 164 S HA 0.584 5.047 4.470 -0.011 0.000 0.290 164 S C 0.803 175.482 174.600 0.132 0.000 1.152 164 S CA -0.139 58.117 58.200 0.093 0.000 1.072 164 S CB 1.376 64.595 63.200 0.033 0.000 1.027 164 S HN 0.603 nan 8.310 nan 0.000 0.500 165 A N 3.099 125.971 122.820 0.087 0.000 2.209 165 A HA 0.058 4.372 4.320 -0.011 0.000 0.212 165 A C 1.264 178.888 177.584 0.066 0.000 1.158 165 A CA 0.987 53.068 52.037 0.073 0.000 0.742 165 A CB -0.294 18.730 19.000 0.039 0.000 0.790 165 A HN 0.866 nan 8.150 nan 0.000 0.472 166 D N -0.288 120.148 120.400 0.060 0.000 2.350 166 D HA 0.044 4.677 4.640 -0.011 0.000 0.213 166 D C 0.761 177.095 176.300 0.057 0.000 1.031 166 D CA 0.330 54.358 54.000 0.047 0.000 0.861 166 D CB -0.045 40.774 40.800 0.032 0.000 0.926 166 D HN 0.311 nan 8.370 nan 0.000 0.520 167 S N 0.783 116.532 115.700 0.081 0.000 2.599 167 S HA -0.123 4.341 4.470 -0.011 0.000 0.303 167 S C 1.058 175.707 174.600 0.083 0.000 1.267 167 S CA 0.354 58.603 58.200 0.080 0.000 1.055 167 S CB 0.531 63.821 63.200 0.150 0.000 0.790 167 S HN 0.078 nan 8.310 nan 0.000 0.500 168 K N 2.507 122.943 120.400 0.061 0.000 2.358 168 K HA 0.103 4.417 4.320 -0.011 0.000 0.200 168 K C 0.229 176.867 176.600 0.064 0.000 1.030 168 K CA -0.050 56.271 56.287 0.056 0.000 1.097 168 K CB 0.387 32.909 32.500 0.036 0.000 0.862 168 K HN 0.493 nan 8.250 nan 0.000 0.534 169 T N 2.442 117.042 114.554 0.077 0.000 2.888 169 T HA 0.129 4.472 4.350 -0.011 0.000 0.301 169 T C -0.212 174.552 174.700 0.107 0.000 1.001 169 T CA 0.159 62.307 62.100 0.081 0.000 1.147 169 T CB 0.240 69.151 68.868 0.072 0.000 0.931 169 T HN 0.148 nan 8.240 nan 0.000 0.541 170 N N 1.316 120.063 118.700 0.078 0.000 2.598 170 N HA 0.288 5.021 4.740 -0.011 0.000 0.263 170 N C -1.222 174.326 175.510 0.063 0.000 1.254 170 N CA -0.540 52.557 53.050 0.079 0.000 0.863 170 N CB 2.040 40.571 38.487 0.072 0.000 1.586 170 N HN 0.234 nan 8.380 nan 0.000 0.491 171 V N 0.942 120.901 119.914 0.076 0.000 2.607 171 V HA 0.632 4.746 4.120 -0.011 0.000 0.289 171 V C 0.269 176.431 176.094 0.113 0.000 1.053 171 V CA -0.340 62.007 62.300 0.080 0.000 0.996 171 V CB 1.177 33.066 31.823 0.109 0.000 0.995 171 V HN 0.805 nan 8.190 nan 0.000 0.476 172 A N 3.448 126.356 122.820 0.147 0.000 2.330 172 A HA 0.793 5.107 4.320 -0.011 0.000 0.313 172 A C -0.270 177.559 177.584 0.408 0.000 1.124 172 A CA -0.398 51.783 52.037 0.239 0.000 0.774 172 A CB 1.762 20.851 19.000 0.149 0.000 1.198 172 A HN 0.782 nan 8.150 nan 0.000 0.465 173 T N 1.861 116.624 114.554 0.349 0.000 2.841 173 T HA 0.600 4.943 4.350 -0.011 0.000 0.296 173 T C -0.300 174.225 174.700 -0.291 0.000 1.166 173 T CA -0.585 61.540 62.100 0.042 0.000 1.007 173 T CB 0.826 69.716 68.868 0.037 0.000 1.253 173 T HN 0.619 nan 8.240 nan 0.000 0.511 174 M N 2.182 121.350 119.600 -0.720 0.000 2.238 174 M HA 0.223 4.696 4.480 -0.011 0.000 0.347 174 M C 0.337 176.488 176.300 -0.249 0.000 1.173 174 M CA 0.113 55.039 55.300 -0.624 0.000 1.147 174 M CB 0.500 32.712 32.600 -0.648 0.000 1.547 174 M HN 0.668 nan 8.290 nan 0.000 0.455 175 D N 0.915 121.193 120.400 -0.203 0.000 2.289 175 D HA 0.263 4.896 4.640 -0.011 0.000 0.207 175 D C -0.040 175.941 176.300 -0.531 0.000 0.966 175 D CA 0.701 54.575 54.000 -0.210 0.000 0.868 175 D CB 0.495 41.230 40.800 -0.108 0.000 0.943 175 D HN 0.653 nan 8.370 nan 0.000 0.514 176 A N -0.993 121.526 122.820 -0.501 0.000 2.511 176 A HA 0.507 4.821 4.320 -0.011 0.000 0.293 176 A C -0.558 176.864 177.584 -0.270 0.000 1.098 176 A CA -0.484 51.182 52.037 -0.619 0.000 0.643 176 A CB 0.554 19.313 19.000 -0.401 0.000 1.302 176 A HN -0.111 nan 8.150 nan 0.000 0.446 177 N N -0.327 118.291 118.700 -0.136 0.000 2.741 177 N HA -0.171 4.563 4.740 -0.011 0.000 0.251 177 N C -0.312 175.143 175.510 -0.091 0.000 1.112 177 N CA 1.808 54.820 53.050 -0.063 0.000 0.750 177 N CB -0.799 37.645 38.487 -0.071 0.000 1.119 177 N HN 0.963 nan 8.380 nan 0.000 0.561 178 D N -1.552 118.808 120.400 -0.066 0.000 2.569 178 D HA 0.265 4.899 4.640 -0.011 0.000 0.266 178 D C 1.516 177.787 176.300 -0.049 0.000 1.164 178 D CA -0.656 53.245 54.000 -0.165 0.000 1.071 178 D CB -0.586 40.112 40.800 -0.170 0.000 1.183 178 D HN -0.004 nan 8.370 nan 0.000 0.613 179 F N -0.683 119.224 119.950 -0.073 0.000 2.126 179 F HA -0.162 4.358 4.527 -0.011 0.000 0.299 179 F C 2.773 178.497 175.800 -0.127 0.000 1.096 179 F CA 1.063 58.989 58.000 -0.124 0.000 1.255 179 F CB -0.084 38.824 39.000 -0.154 0.000 0.997 179 F HN 0.226 nan 8.300 nan 0.000 0.479 180 R N 0.192 120.722 120.500 0.050 0.000 2.070 180 R HA -0.189 4.145 4.340 -0.011 0.000 0.232 180 R C 1.986 178.193 176.300 -0.155 0.000 1.138 180 R CA 2.240 58.267 56.100 -0.122 0.000 0.936 180 R CB -0.578 29.575 30.300 -0.245 0.000 0.839 180 R HN 0.300 nan 8.270 nan 0.000 0.429 181 H N -0.248 118.812 119.070 -0.016 0.000 2.428 181 H HA 0.070 4.619 4.556 -0.012 0.000 0.296 181 H C 1.335 176.685 175.328 0.037 0.000 1.062 181 H CA 1.287 57.335 56.048 0.000 0.000 1.350 181 H CB 0.054 29.805 29.762 -0.018 0.000 1.403 181 H HN 0.283 nan 8.280 nan 0.000 0.533 182 N N 0.910 119.707 118.700 0.161 0.000 2.398 182 N HA -0.052 4.682 4.740 -0.011 0.000 0.188 182 N C 0.119 175.768 175.510 0.232 0.000 1.122 182 N CA 0.126 53.290 53.050 0.189 0.000 0.866 182 N CB 0.296 38.889 38.487 0.177 0.000 0.970 182 N HN 0.544 nan 8.380 nan 0.000 0.462 183 E N 1.472 121.748 120.200 0.126 0.000 2.360 183 E HA 0.077 4.421 4.350 -0.011 0.000 0.269 183 E C -0.660 176.026 176.600 0.144 0.000 1.022 183 E CA 0.159 56.615 56.400 0.094 0.000 0.887 183 E CB 0.558 30.258 29.700 0.001 0.000 0.990 183 E HN -0.035 nan 8.360 nan 0.000 0.426 184 K N 2.360 122.872 120.400 0.187 0.000 2.378 184 K HA 0.351 4.665 4.320 -0.011 0.000 0.252 184 K C -1.192 175.477 176.600 0.115 0.000 0.931 184 K CA -0.707 55.669 56.287 0.148 0.000 0.794 184 K CB 2.173 34.772 32.500 0.165 0.000 1.181 184 K HN 0.311 nan 8.250 nan 0.000 0.425 185 S N 3.190 118.940 115.700 0.084 0.000 2.541 185 S HA 0.742 5.206 4.470 -0.011 0.000 0.280 185 S C -1.008 173.626 174.600 0.057 0.000 1.112 185 S CA -0.808 57.441 58.200 0.081 0.000 0.925 185 S CB 0.676 63.935 63.200 0.097 0.000 1.067 185 S HN 0.605 nan 8.310 nan 0.000 0.479 186 I N 1.036 121.640 120.570 0.058 0.000 3.074 186 I HA 0.674 4.838 4.170 -0.011 0.000 0.310 186 I C -1.515 174.623 176.117 0.035 0.000 1.153 186 I CA -1.369 59.956 61.300 0.041 0.000 0.993 186 I CB 2.117 40.146 38.000 0.048 0.000 1.237 186 I HN 0.536 nan 8.210 nan 0.000 0.443 187 I N 4.764 125.348 120.570 0.024 0.000 2.382 187 I HA 0.303 4.466 4.170 -0.011 0.000 0.286 187 I C -0.310 175.822 176.117 0.026 0.000 1.002 187 I CA -0.819 60.495 61.300 0.023 0.000 1.135 187 I CB 1.637 39.643 38.000 0.011 0.000 1.288 187 I HN 0.370 nan 8.210 nan 0.000 0.448 188 L N 5.879 127.121 121.223 0.032 0.000 2.490 188 L HA 0.019 4.353 4.340 -0.011 0.000 0.274 188 L C 0.726 177.613 176.870 0.028 0.000 1.201 188 L CA 0.584 55.443 54.840 0.031 0.000 0.869 188 L CB 0.423 42.502 42.059 0.034 0.000 1.123 188 L HN 0.709 nan 8.230 nan 0.000 0.484 189 D N 0.046 120.460 120.400 0.024 0.000 2.395 189 D HA 0.418 5.051 4.640 -0.011 0.000 0.213 189 D C 0.115 176.428 176.300 0.021 0.000 1.110 189 D CA -0.062 53.950 54.000 0.021 0.000 0.835 189 D CB 0.707 41.516 40.800 0.016 0.000 0.965 189 D HN 0.484 nan 8.370 nan 0.000 0.505 190 A N -0.048 122.786 122.820 0.023 0.000 2.590 190 A HA 0.680 4.993 4.320 -0.011 0.000 0.294 190 A C -0.743 176.854 177.584 0.022 0.000 1.046 190 A CA -0.655 51.395 52.037 0.021 0.000 0.684 190 A CB 0.625 19.636 19.000 0.018 0.000 1.279 190 A HN 0.367 nan 8.150 nan 0.000 0.415 191 A N 0.879 123.712 122.820 0.021 0.000 2.547 191 A HA 0.510 4.823 4.320 -0.011 0.000 0.233 191 A C 0.053 177.650 177.584 0.021 0.000 1.067 191 A CA 1.178 53.228 52.037 0.021 0.000 0.763 191 A CB 0.055 19.066 19.000 0.018 0.000 1.007 191 A HN 1.082 nan 8.150 nan 0.000 0.506 192 D N -0.561 119.853 120.400 0.024 0.000 2.663 192 D HA 0.244 4.878 4.640 -0.011 0.000 0.233 192 D C -1.447 174.869 176.300 0.027 0.000 1.240 192 D CA -0.384 53.631 54.000 0.024 0.000 0.774 192 D CB 1.305 42.122 40.800 0.027 0.000 1.443 192 D HN 0.578 nan 8.370 nan 0.000 0.441 193 E N 2.719 122.934 120.200 0.026 0.000 2.256 193 E HA 0.443 4.787 4.350 -0.011 0.000 0.243 193 E C 0.108 176.725 176.600 0.030 0.000 0.925 193 E CA -0.713 55.704 56.400 0.028 0.000 0.748 193 E CB 0.845 30.558 29.700 0.022 0.000 1.206 193 E HN 0.349 nan 8.360 nan 0.000 0.428 194 V N 1.127 121.065 119.914 0.039 0.000 3.596 194 V HA 0.484 4.598 4.120 -0.011 0.000 0.288 194 V C -0.180 175.938 176.094 0.039 0.000 1.021 194 V CA -0.505 61.820 62.300 0.042 0.000 1.020 194 V CB 1.393 33.252 31.823 0.060 0.000 1.243 194 V HN 0.730 nan 8.190 nan 0.000 0.433 195 Q N -0.219 119.600 119.800 0.032 0.000 2.353 195 Q HA 0.583 4.916 4.340 -0.011 0.000 0.275 195 Q C -1.893 174.101 176.000 -0.009 0.000 1.029 195 Q CA -0.786 55.024 55.803 0.012 0.000 0.848 195 Q CB 2.482 31.216 28.738 -0.007 0.000 1.390 195 Q HN 0.846 nan 8.270 nan 0.000 0.401 196 I N 3.229 123.771 120.570 -0.047 0.000 2.330 196 I HA 0.422 4.586 4.170 -0.011 0.000 0.289 196 I C -0.379 175.603 176.117 -0.226 0.000 1.001 196 I CA -0.531 60.680 61.300 -0.148 0.000 1.193 196 I CB 1.359 39.259 38.000 -0.167 0.000 1.345 196 I HN 0.364 nan 8.210 nan 0.000 0.461 197 K N 4.190 124.462 120.400 -0.214 0.000 2.221 197 K HA 0.478 4.792 4.320 -0.011 0.000 0.243 197 K C -0.746 175.737 176.600 -0.196 0.000 0.968 197 K CA -0.894 55.288 56.287 -0.175 0.000 0.846 197 K CB 1.927 34.359 32.500 -0.114 0.000 1.141 197 K HN 0.487 nan 8.250 nan 0.000 0.434 198 H N 2.330 121.269 119.070 -0.218 0.000 2.727 198 H HA 0.326 4.876 4.556 -0.011 0.000 0.330 198 H C -1.490 173.769 175.328 -0.116 0.000 0.986 198 H CA -0.739 55.194 56.048 -0.190 0.000 1.251 198 H CB 0.630 30.277 29.762 -0.191 0.000 1.493 198 H HN 0.345 nan 8.280 nan 0.000 0.515 199 I N 4.984 125.297 120.570 -0.428 0.000 2.330 199 I HA 0.326 4.490 4.170 -0.011 0.000 0.289 199 I C 0.885 176.823 176.117 -0.298 0.000 1.001 199 I CA -0.123 61.042 61.300 -0.226 0.000 1.193 199 I CB 0.985 38.892 38.000 -0.155 0.000 1.345 199 I HN 0.674 nan 8.210 nan 0.000 0.461 200 A N 4.995 127.791 122.820 -0.041 0.000 2.372 200 A HA 0.703 5.016 4.320 -0.011 0.000 0.271 200 A C 1.472 179.058 177.584 0.002 0.000 1.470 200 A CA 0.548 52.620 52.037 0.058 0.000 0.827 200 A CB -0.268 18.831 19.000 0.164 0.000 1.405 200 A HN 0.758 nan 8.150 nan 0.000 0.536 201 A N -1.573 121.265 122.820 0.029 0.000 2.081 201 A HA 0.099 4.412 4.320 -0.011 0.000 0.214 201 A C 0.969 178.561 177.584 0.013 0.000 1.158 201 A CA 1.327 53.372 52.037 0.014 0.000 0.724 201 A CB -0.394 18.619 19.000 0.022 0.000 0.826 201 A HN 0.619 nan 8.150 nan 0.000 0.463 202 D N -0.439 119.974 120.400 0.022 0.000 2.352 202 D HA 0.228 4.861 4.640 -0.011 0.000 0.232 202 D C 1.512 177.818 176.300 0.010 0.000 1.055 202 D CA 1.000 55.010 54.000 0.017 0.000 0.891 202 D CB -0.207 40.606 40.800 0.022 0.000 0.897 202 D HN 0.523 nan 8.370 nan 0.000 0.529 203 G N 0.617 109.419 108.800 0.003 0.000 2.302 203 G HA2 -0.345 3.608 3.960 -0.011 0.000 0.263 203 G HA3 -0.345 3.608 3.960 -0.011 0.000 0.263 203 G C 0.716 175.616 174.900 -0.001 0.000 0.995 203 G CA 0.677 45.773 45.100 -0.008 0.000 0.622 203 G HN 0.361 nan 8.290 nan 0.000 0.538 204 T N 2.415 116.979 114.554 0.015 0.000 2.708 204 T HA 0.368 4.712 4.350 -0.011 0.000 0.271 204 T C 0.621 175.344 174.700 0.039 0.000 0.985 204 T CA 1.075 63.189 62.100 0.024 0.000 1.229 204 T CB 0.204 69.091 68.868 0.032 0.000 0.934 204 T HN 0.806 nan 8.240 nan 0.000 0.522 205 E N 2.390 122.599 120.200 0.015 0.000 2.227 205 E HA 0.424 4.767 4.350 -0.011 0.000 0.282 205 E C -0.797 175.811 176.600 0.014 0.000 1.015 205 E CA -0.859 55.547 56.400 0.011 0.000 0.823 205 E CB 0.803 30.490 29.700 -0.021 0.000 1.081 205 E HN 0.325 nan 8.360 nan 0.000 0.396 206 T N 4.149 118.722 114.554 0.032 0.000 2.824 206 T HA 0.376 4.720 4.350 -0.011 0.000 0.282 206 T C 0.142 174.800 174.700 -0.069 0.000 0.993 206 T CA -0.649 61.440 62.100 -0.019 0.000 0.967 206 T CB 0.765 69.606 68.868 -0.044 0.000 0.960 206 T HN 0.449 nan 8.240 nan 0.000 0.441 207 I N 3.975 124.491 120.570 -0.091 0.000 2.337 207 I HA 0.172 4.336 4.170 -0.011 0.000 0.291 207 I C 1.011 177.007 176.117 -0.202 0.000 1.046 207 I CA -0.260 60.964 61.300 -0.127 0.000 1.324 207 I CB 0.861 38.812 38.000 -0.082 0.000 1.409 207 I HN 0.601 nan 8.210 nan 0.000 0.494 208 L N 5.053 126.068 121.223 -0.347 0.000 2.145 208 L HA 0.112 4.445 4.340 -0.011 0.000 0.201 208 L C 0.712 177.285 176.870 -0.494 0.000 1.075 208 L CA 0.792 55.237 54.840 -0.659 0.000 0.773 208 L CB -0.254 41.068 42.059 -1.229 0.000 0.936 208 L HN 0.416 nan 8.230 nan 0.000 0.451 209 K N -0.096 120.133 120.400 -0.285 0.000 2.507 209 K HA 0.149 4.462 4.320 -0.011 0.000 0.252 209 K C -0.175 176.413 176.600 -0.019 0.000 0.943 209 K CA -0.285 55.987 56.287 -0.024 0.000 0.808 209 K CB 1.949 34.538 32.500 0.148 0.000 1.142 209 K HN -0.106 nan 8.250 nan 0.000 0.426 210 D N 1.627 122.031 120.400 0.006 0.000 2.084 210 D HA -0.026 4.607 4.640 -0.011 0.000 0.199 210 D C -0.421 175.890 176.300 0.018 0.000 0.981 210 D CA 1.084 55.085 54.000 0.003 0.000 0.841 210 D CB 0.346 41.150 40.800 0.007 0.000 0.997 210 D HN 0.297 nan 8.370 nan 0.000 0.454 211 S N -0.454 115.267 115.700 0.034 0.000 2.519 211 S HA 0.511 4.975 4.470 -0.011 0.000 0.309 211 S C -1.237 173.394 174.600 0.051 0.000 1.100 211 S CA -0.860 57.362 58.200 0.037 0.000 1.059 211 S CB 0.583 63.800 63.200 0.029 0.000 1.008 211 S HN 0.258 nan 8.310 nan 0.000 0.478 212 L N 5.432 126.687 121.223 0.053 0.000 2.427 212 L HA 0.529 4.862 4.340 -0.011 0.000 0.264 212 L C -0.854 176.045 176.870 0.048 0.000 0.989 212 L CA -0.725 54.152 54.840 0.061 0.000 0.865 212 L CB 1.015 43.124 42.059 0.085 0.000 1.209 212 L HN 0.577 nan 8.230 nan 0.000 0.430 213 K N 6.099 126.522 120.400 0.038 0.000 2.379 213 K HA 0.411 4.724 4.320 -0.011 0.000 0.284 213 K C -0.730 175.888 176.600 0.031 0.000 1.044 213 K CA -0.088 56.217 56.287 0.031 0.000 0.974 213 K CB 1.209 33.724 32.500 0.024 0.000 0.962 213 K HN 0.567 nan 8.250 nan 0.000 0.474 214 L N 4.076 125.318 121.223 0.031 0.000 2.362 214 L HA 0.487 4.821 4.340 -0.011 0.000 0.271 214 L C 0.052 176.938 176.870 0.026 0.000 1.002 214 L CA -0.997 53.862 54.840 0.030 0.000 0.818 214 L CB 1.328 43.409 42.059 0.037 0.000 1.298 214 L HN 0.300 nan 8.230 nan 0.000 0.420 215 L N 1.028 122.265 121.223 0.024 0.000 2.416 215 L HA 0.401 4.735 4.340 -0.011 0.000 0.262 215 L C 0.453 177.339 176.870 0.027 0.000 1.093 215 L CA -0.603 54.251 54.840 0.023 0.000 0.801 215 L CB 1.138 43.209 42.059 0.020 0.000 1.191 215 L HN 0.619 nan 8.230 nan 0.000 0.459 216 E N 0.387 120.603 120.200 0.027 0.000 2.384 216 E HA 0.186 4.529 4.350 -0.011 0.000 0.266 216 E C 0.856 177.479 176.600 0.038 0.000 1.012 216 E CA 0.766 57.184 56.400 0.030 0.000 0.901 216 E CB 0.539 30.256 29.700 0.028 0.000 0.967 216 E HN 0.760 nan 8.360 nan 0.000 0.435 217 G N 3.623 112.449 108.800 0.043 0.000 2.205 217 G HA2 -0.353 3.601 3.960 -0.011 0.000 0.261 217 G HA3 -0.353 3.601 3.960 -0.011 0.000 0.261 217 G C 0.197 175.130 174.900 0.055 0.000 0.980 217 G CA 0.471 45.606 45.100 0.058 0.000 0.632 217 G HN 0.654 nan 8.290 nan 0.000 0.533 218 E N 0.460 120.686 120.200 0.043 0.000 2.360 218 E HA 0.431 4.775 4.350 -0.011 0.000 0.269 218 E C 0.384 177.008 176.600 0.041 0.000 1.022 218 E CA -0.417 56.006 56.400 0.039 0.000 0.887 218 E CB 0.754 30.473 29.700 0.032 0.000 0.990 218 E HN 0.171 nan 8.360 nan 0.000 0.426 219 V N 5.975 125.914 119.914 0.043 0.000 2.432 219 V HA 0.259 4.373 4.120 -0.011 0.000 0.275 219 V C -0.247 175.887 176.094 0.068 0.000 1.043 219 V CA -0.548 61.784 62.300 0.052 0.000 0.925 219 V CB 0.996 32.844 31.823 0.042 0.000 0.985 219 V HN 0.547 nan 8.190 nan 0.000 0.466 220 L N 5.416 126.680 121.223 0.068 0.000 2.356 220 L HA 0.699 5.033 4.340 -0.011 0.000 0.277 220 L C -0.716 176.192 176.870 0.063 0.000 0.996 220 L CA 0.073 54.947 54.840 0.057 0.000 0.822 220 L CB 1.834 43.931 42.059 0.064 0.000 1.256 220 L HN 0.609 nan 8.230 nan 0.000 0.413 221 D N 3.594 123.998 120.400 0.007 0.000 2.340 221 D HA 0.712 5.345 4.640 -0.011 0.000 0.240 221 D C -0.501 175.731 176.300 -0.113 0.000 1.001 221 D CA -0.352 53.631 54.000 -0.028 0.000 0.888 221 D CB 2.291 43.026 40.800 -0.109 0.000 1.310 221 D HN 0.741 nan 8.370 nan 0.000 0.474 222 G N -0.493 108.257 108.800 -0.083 0.000 2.643 222 G HA2 0.535 4.489 3.960 -0.011 0.000 0.305 222 G HA3 0.535 4.489 3.960 -0.011 0.000 0.305 222 G C -0.858 173.779 174.900 -0.438 0.000 1.387 222 G CA -0.322 44.629 45.100 -0.247 0.000 0.982 222 G HN 0.374 nan 8.290 nan 0.000 0.501 223 T N -0.520 113.485 114.554 -0.914 0.000 2.762 223 T HA 0.712 5.056 4.350 -0.011 0.000 0.301 223 T C -1.746 172.577 174.700 -0.627 0.000 1.299 223 T CA -0.350 61.351 62.100 -0.665 0.000 1.005 223 T CB 1.933 70.641 68.868 -0.266 0.000 1.377 223 T HN 1.291 nan 8.240 nan 0.000 0.504 224 V N 2.494 122.324 119.914 -0.140 0.000 3.048 224 V HA 0.712 4.826 4.120 -0.011 0.000 0.303 224 V C -1.665 174.477 176.094 0.080 0.000 1.214 224 V CA -0.814 61.532 62.300 0.077 0.000 0.984 224 V CB 1.992 33.904 31.823 0.147 0.000 1.054 224 V HN 0.929 nan 8.190 nan 0.000 0.430 225 L N 4.588 125.787 121.223 -0.041 0.000 2.287 225 L HA 0.591 4.925 4.340 -0.011 0.000 0.287 225 L C 0.325 177.099 176.870 -0.160 0.000 1.022 225 L CA -0.227 54.390 54.840 -0.372 0.000 0.814 225 L CB 1.886 43.430 42.059 -0.857 0.000 1.217 225 L HN 0.846 nan 8.230 nan 0.000 0.420 226 S N 3.587 119.206 115.700 -0.134 0.000 2.430 226 S HA 0.221 4.685 4.470 -0.011 0.000 0.282 226 S C 1.188 175.730 174.600 -0.095 0.000 1.186 226 S CA 0.087 58.249 58.200 -0.064 0.000 1.060 226 S CB 1.229 64.406 63.200 -0.038 0.000 0.966 226 S HN 0.801 nan 8.310 nan 0.000 0.501 227 A N 6.342 129.125 122.820 -0.061 0.000 1.908 227 A HA -0.123 4.190 4.320 -0.011 0.000 0.218 227 A C 2.156 179.738 177.584 -0.003 0.000 1.181 227 A CA 1.638 53.630 52.037 -0.076 0.000 0.627 227 A CB -0.433 18.612 19.000 0.076 0.000 0.818 227 A HN 0.879 nan 8.150 nan 0.000 0.445 228 K N -0.559 119.856 120.400 0.026 0.000 2.026 228 K HA -0.036 4.277 4.320 -0.011 0.000 0.208 228 K C 2.307 178.924 176.600 0.029 0.000 1.048 228 K CA 1.180 57.490 56.287 0.039 0.000 0.929 228 K CB -0.316 32.208 32.500 0.039 0.000 0.713 228 K HN 0.434 nan 8.250 nan 0.000 0.439 229 A N 1.176 123.998 122.820 0.003 0.000 1.969 229 A HA -0.117 4.197 4.320 -0.011 0.000 0.218 229 A C 2.041 179.640 177.584 0.025 0.000 1.169 229 A CA 0.947 52.985 52.037 0.002 0.000 0.635 229 A CB -0.384 18.592 19.000 -0.041 0.000 0.810 229 A HN 0.238 nan 8.150 nan 0.000 0.445 230 L N 0.142 121.352 121.223 -0.021 0.000 2.005 230 L HA -0.133 4.201 4.340 -0.011 0.000 0.207 230 L C 1.675 178.627 176.870 0.135 0.000 1.072 230 L CA 2.525 57.367 54.840 0.004 0.000 0.744 230 L CB -0.676 41.278 42.059 -0.175 0.000 0.895 230 L HN 0.325 nan 8.230 nan 0.000 0.433 231 D N 0.054 120.513 120.400 0.099 0.000 2.117 231 D HA -0.175 4.459 4.640 -0.011 0.000 0.197 231 D C 2.164 178.522 176.300 0.097 0.000 0.987 231 D CA 1.551 55.627 54.000 0.127 0.000 0.829 231 D CB -0.188 40.692 40.800 0.132 0.000 0.961 231 D HN 0.523 nan 8.370 nan 0.000 0.460 232 A N 0.800 123.676 122.820 0.094 0.000 1.883 232 A HA -0.193 4.121 4.320 -0.011 0.000 0.217 232 A C 2.138 179.782 177.584 0.099 0.000 1.186 232 A CA 1.286 53.368 52.037 0.076 0.000 0.624 232 A CB -1.099 17.942 19.000 0.069 0.000 0.822 232 A HN 0.302 nan 8.150 nan 0.000 0.444 233 F N 0.603 120.554 119.950 0.000 0.000 2.075 233 F HA -0.164 4.356 4.527 -0.013 0.000 0.297 233 F C 1.908 177.730 175.800 0.037 0.000 1.113 233 F CA 1.907 59.912 58.000 0.009 0.000 1.218 233 F CB -0.276 38.720 39.000 -0.008 0.000 0.984 233 F HN 0.147 nan 8.300 nan 0.000 0.472 234 L N 0.170 121.358 121.223 -0.059 0.000 2.042 234 L HA -0.258 4.076 4.340 -0.011 0.000 0.210 234 L C 2.536 179.332 176.870 -0.123 0.000 1.076 234 L CA 1.374 56.139 54.840 -0.125 0.000 0.749 234 L CB -0.865 41.249 42.059 0.092 0.000 0.893 234 L HN 0.280 nan 8.230 nan 0.000 0.432 235 L N -0.498 120.677 121.223 -0.079 0.000 2.083 235 L HA -0.232 4.101 4.340 -0.011 0.000 0.209 235 L C 2.627 179.429 176.870 -0.114 0.000 1.083 235 L CA 1.278 56.061 54.840 -0.095 0.000 0.752 235 L CB -0.487 41.537 42.059 -0.058 0.000 0.899 235 L HN 0.341 nan 8.230 nan 0.000 0.433 236 E N -0.345 119.784 120.200 -0.119 0.000 2.077 236 E HA -0.244 4.099 4.350 -0.011 0.000 0.193 236 E C 2.200 178.723 176.600 -0.128 0.000 0.989 236 E CA 1.055 57.389 56.400 -0.110 0.000 0.800 236 E CB 0.196 29.841 29.700 -0.092 0.000 0.746 236 E HN 0.423 nan 8.360 nan 0.000 0.452 237 Q N -0.060 119.615 119.800 -0.209 0.000 2.172 237 Q HA -0.078 4.255 4.340 -0.011 0.000 0.200 237 Q C 2.336 178.390 176.000 0.089 0.000 0.964 237 Q CA 0.736 56.474 55.803 -0.108 0.000 0.855 237 Q CB -0.322 28.269 28.738 -0.246 0.000 0.918 237 Q HN 0.243 nan 8.270 nan 0.000 0.444 238 V N 1.294 121.208 119.914 -0.001 0.000 2.343 238 V HA -0.223 3.891 4.120 -0.011 0.000 0.247 238 V C 2.315 178.332 176.094 -0.129 0.000 1.051 238 V CA 1.782 63.968 62.300 -0.190 0.000 1.036 238 V CB -1.054 30.524 31.823 -0.408 0.000 0.654 238 V HN 0.326 nan 8.190 nan 0.000 0.451 239 A N -0.133 122.623 122.820 -0.107 0.000 1.930 239 A HA -0.207 4.106 4.320 -0.011 0.000 0.217 239 A C 2.418 179.979 177.584 -0.038 0.000 1.175 239 A CA 1.807 53.794 52.037 -0.083 0.000 0.627 239 A CB -0.512 18.443 19.000 -0.076 0.000 0.815 239 A HN 0.480 nan 8.150 nan 0.000 0.443 240 R N -0.335 120.155 120.500 -0.016 0.000 2.075 240 R HA -0.056 4.277 4.340 -0.011 0.000 0.232 240 R C 2.290 178.609 176.300 0.032 0.000 1.126 240 R CA 1.351 57.455 56.100 0.006 0.000 0.963 240 R CB -0.390 29.913 30.300 0.005 0.000 0.858 240 R HN 0.411 nan 8.270 nan 0.000 0.435 241 A N 1.390 124.255 122.820 0.075 0.000 1.902 241 A HA -0.212 4.102 4.320 -0.011 0.000 0.217 241 A C 2.101 179.723 177.584 0.063 0.000 1.181 241 A CA 1.695 53.799 52.037 0.112 0.000 0.623 241 A CB -0.477 18.683 19.000 0.266 0.000 0.818 241 A HN 0.399 nan 8.150 nan 0.000 0.443 242 K N -0.425 119.988 120.400 0.022 0.000 2.057 242 K HA -0.043 4.271 4.320 -0.011 0.000 0.206 242 K C 2.182 178.779 176.600 -0.005 0.000 1.050 242 K CA 1.150 57.432 56.287 -0.008 0.000 0.935 242 K CB -0.331 32.134 32.500 -0.057 0.000 0.715 242 K HN 0.350 nan 8.250 nan 0.000 0.439 243 A N 1.388 124.204 122.820 -0.008 0.000 1.902 243 A HA -0.176 4.137 4.320 -0.011 0.000 0.217 243 A C 1.693 179.279 177.584 0.003 0.000 1.181 243 A CA 1.732 53.765 52.037 -0.006 0.000 0.623 243 A CB -0.407 18.589 19.000 -0.007 0.000 0.818 243 A HN 0.480 nan 8.150 nan 0.000 0.443 244 E N -1.487 118.720 120.200 0.012 0.000 2.435 244 E HA 0.246 4.590 4.350 -0.011 0.000 0.195 244 E C 0.909 177.517 176.600 0.014 0.000 1.029 244 E CA 0.214 56.623 56.400 0.015 0.000 0.865 244 E CB -0.109 29.604 29.700 0.022 0.000 0.833 244 E HN 0.746 nan 8.360 nan 0.000 0.510 245 G N 2.471 111.281 108.800 0.016 0.000 2.272 245 G HA2 -0.263 3.691 3.960 -0.011 0.000 0.280 245 G HA3 -0.263 3.691 3.960 -0.011 0.000 0.280 245 G C 0.130 175.039 174.900 0.014 0.000 1.067 245 G CA 0.670 45.778 45.100 0.014 0.000 0.902 245 G HN 0.373 nan 8.290 nan 0.000 0.500 246 I N -3.107 117.481 120.570 0.030 0.000 3.002 246 I HA 0.784 4.948 4.170 -0.011 0.000 0.310 246 I C 0.537 176.689 176.117 0.060 0.000 1.087 246 I CA -1.894 59.423 61.300 0.028 0.000 1.017 246 I CB 1.588 39.606 38.000 0.029 0.000 1.226 246 I HN -0.083 nan 8.210 nan 0.000 0.443 247 L N 2.664 123.915 121.223 0.047 0.000 2.453 247 L HA 0.206 4.539 4.340 -0.011 0.000 0.272 247 L C -0.450 176.495 176.870 0.126 0.000 1.182 247 L CA 0.058 54.948 54.840 0.084 0.000 0.858 247 L CB 0.279 42.364 42.059 0.045 0.000 1.120 247 L HN 0.490 nan 8.230 nan 0.000 0.474 248 F N 3.385 123.351 119.950 0.028 0.000 2.420 248 F HA 0.417 4.938 4.527 -0.010 0.000 0.352 248 F C 0.291 176.090 175.800 -0.001 0.000 1.108 248 F CA -0.206 57.808 58.000 0.024 0.000 1.162 248 F CB 0.965 39.998 39.000 0.054 0.000 1.118 248 F HN 0.514 nan 8.300 nan 0.000 0.510 249 S N 4.501 119.884 115.700 -0.528 0.000 2.564 249 S HA 0.920 5.384 4.470 -0.011 0.000 0.274 249 S C -1.174 173.105 174.600 -0.534 0.000 1.124 249 S CA -0.755 57.217 58.200 -0.380 0.000 0.869 249 S CB 1.573 64.713 63.200 -0.100 0.000 1.105 249 S HN 1.094 nan 8.310 nan 0.000 0.472 250 A N 1.936 124.481 122.820 -0.458 0.000 2.359 250 A HA 0.712 5.026 4.320 -0.011 0.000 0.303 250 A C -0.966 176.428 177.584 -0.316 0.000 1.066 250 A CA -0.722 51.150 52.037 -0.274 0.000 0.730 250 A CB 0.804 19.685 19.000 -0.198 0.000 1.211 250 A HN 0.910 nan 8.150 nan 0.000 0.439 251 H N 3.610 122.683 119.070 0.006 0.000 2.718 251 H HA 0.532 5.083 4.556 -0.009 0.000 0.295 251 H C -0.788 174.592 175.328 0.088 0.000 1.051 251 H CA -0.089 55.973 56.048 0.023 0.000 1.260 251 H CB 0.983 30.701 29.762 -0.073 0.000 1.403 251 H HN 0.529 nan 8.280 nan 0.000 0.488 252 L N 1.400 122.743 121.223 0.201 0.000 2.216 252 L HA 0.466 4.800 4.340 -0.011 0.000 0.260 252 L C 0.214 177.194 176.870 0.183 0.000 1.036 252 L CA -0.944 54.031 54.840 0.226 0.000 0.914 252 L CB 1.517 43.741 42.059 0.275 0.000 1.501 252 L HN 0.256 nan 8.230 nan 0.000 0.485 253 K N -0.319 120.198 120.400 0.195 0.000 3.146 253 K HA 0.389 4.703 4.320 -0.011 0.000 0.168 253 K C 0.366 177.035 176.600 0.116 0.000 1.075 253 K CA 0.004 56.386 56.287 0.159 0.000 0.843 253 K CB 0.852 33.496 32.500 0.240 0.000 1.002 253 K HN 0.630 nan 8.250 nan 0.000 0.597 254 A N 0.303 123.159 122.820 0.061 0.000 1.986 254 A HA -0.158 4.156 4.320 -0.011 0.000 0.220 254 A C 1.727 179.301 177.584 -0.017 0.000 1.171 254 A CA 2.191 54.233 52.037 0.008 0.000 0.640 254 A CB -0.470 18.469 19.000 -0.102 0.000 0.811 254 A HN 0.573 nan 8.150 nan 0.000 0.451 255 T N -0.202 114.338 114.554 -0.024 0.000 2.668 255 T HA -0.081 4.263 4.350 -0.011 0.000 0.258 255 T C 2.042 176.701 174.700 -0.069 0.000 1.051 255 T CA 1.582 63.651 62.100 -0.052 0.000 1.155 255 T CB -0.276 68.561 68.868 -0.052 0.000 0.864 255 T HN 0.416 nan 8.240 nan 0.000 0.413 256 M N 0.545 120.121 119.600 -0.041 0.000 2.067 256 M HA 0.047 4.521 4.480 -0.011 0.000 0.260 256 M C 0.792 177.092 176.300 0.001 0.000 1.069 256 M CA 1.105 56.368 55.300 -0.062 0.000 1.117 256 M CB -0.377 32.176 32.600 -0.079 0.000 1.334 256 M HN 0.159 nan 8.290 nan 0.000 0.407 257 M N 2.223 121.911 119.600 0.147 0.000 3.706 257 M HA 0.061 4.535 4.480 -0.011 0.000 0.204 257 M C 1.131 177.478 176.300 0.079 0.000 1.455 257 M CA 0.384 55.823 55.300 0.231 0.000 1.659 257 M CB -1.221 31.531 32.600 0.253 0.000 1.076 257 M HN 0.255 nan 8.290 nan 0.000 0.577 258 K N -1.009 119.332 120.400 -0.098 0.000 2.442 258 K HA -0.068 4.245 4.320 -0.011 0.000 0.199 258 K C 0.996 177.589 176.600 -0.012 0.000 1.044 258 K CA 1.055 57.287 56.287 -0.091 0.000 0.941 258 K CB -0.149 32.238 32.500 -0.189 0.000 0.759 258 K HN 0.304 nan 8.250 nan 0.000 0.472 259 V N 1.114 121.057 119.914 0.049 0.000 2.599 259 V HA -0.158 3.956 4.120 -0.011 0.000 0.237 259 V C 2.559 178.719 176.094 0.110 0.000 1.081 259 V CA 1.341 63.683 62.300 0.069 0.000 1.107 259 V CB 0.425 32.281 31.823 0.055 0.000 0.808 259 V HN 0.549 nan 8.190 nan 0.000 0.486 260 S N 0.669 116.451 115.700 0.137 0.000 2.345 260 S HA -0.235 4.229 4.470 -0.011 0.000 0.220 260 S C 1.585 176.314 174.600 0.216 0.000 1.031 260 S CA 1.880 60.196 58.200 0.193 0.000 0.996 260 S CB -0.682 62.655 63.200 0.228 0.000 0.882 260 S HN 0.524 nan 8.310 nan 0.000 0.445 261 D N 3.032 123.555 120.400 0.205 0.000 2.178 261 D HA 0.060 4.694 4.640 -0.011 0.000 0.201 261 D C -0.716 175.716 176.300 0.219 0.000 0.980 261 D CA 0.940 55.071 54.000 0.218 0.000 0.842 261 D CB -1.361 39.561 40.800 0.204 0.000 0.948 261 D HN 0.406 nan 8.370 nan 0.000 0.472 262 P HA -0.009 nan 4.420 nan 0.000 0.219 262 P C 1.423 178.859 177.300 0.227 0.000 1.150 262 P CA 0.715 63.904 63.100 0.150 0.000 0.814 262 P CB 0.166 31.909 31.700 0.073 0.000 0.787 263 I N -1.160 119.538 120.570 0.213 0.000 2.252 263 I HA -0.210 3.954 4.170 -0.011 0.000 0.245 263 I C 2.171 178.493 176.117 0.341 0.000 1.102 263 I CA 1.436 62.883 61.300 0.246 0.000 1.385 263 I CB -0.524 37.614 38.000 0.231 0.000 1.064 263 I HN -0.119 nan 8.210 nan 0.000 0.414 264 I N -0.044 120.703 120.570 0.294 0.000 2.286 264 I HA -0.308 3.856 4.170 -0.011 0.000 0.248 264 I C 2.483 178.774 176.117 0.289 0.000 1.115 264 I CA 1.422 62.879 61.300 0.261 0.000 1.392 264 I CB -0.350 37.757 38.000 0.178 0.000 1.065 264 I HN 0.132 nan 8.210 nan 0.000 0.418 265 F N 1.794 121.838 119.950 0.157 0.000 2.161 265 F HA -0.155 4.366 4.527 -0.011 0.000 0.300 265 F C 2.330 178.203 175.800 0.121 0.000 1.089 265 F CA 1.610 59.687 58.000 0.129 0.000 1.282 265 F CB -0.546 38.512 39.000 0.097 0.000 1.010 265 F HN -0.002 nan 8.300 nan 0.000 0.485 266 G N -0.859 108.112 108.800 0.284 0.000 2.446 266 G HA2 -0.272 3.682 3.960 -0.011 0.000 0.217 266 G HA3 -0.272 3.682 3.960 -0.011 0.000 0.217 266 G C 1.601 176.481 174.900 -0.032 0.000 1.168 266 G CA 1.058 46.228 45.100 0.117 0.000 0.771 266 G HN 0.455 nan 8.290 nan 0.000 0.551 267 H N -0.029 119.045 119.070 0.006 0.000 2.387 267 H HA -0.072 4.477 4.556 -0.010 0.000 0.299 267 H C 2.810 178.110 175.328 -0.047 0.000 1.099 267 H CA 1.365 57.399 56.048 -0.024 0.000 1.315 267 H CB -0.105 29.670 29.762 0.022 0.000 1.380 267 H HN 0.223 nan 8.280 nan 0.000 0.513 268 V N 0.528 120.473 119.914 0.051 0.000 2.295 268 V HA -0.209 3.905 4.120 -0.011 0.000 0.246 268 V C 2.787 178.842 176.094 -0.065 0.000 1.049 268 V CA 1.295 63.586 62.300 -0.015 0.000 1.024 268 V CB -0.649 31.071 31.823 -0.172 0.000 0.648 268 V HN 0.172 nan 8.190 nan 0.000 0.447 269 V N 0.096 119.934 119.914 -0.126 0.000 2.287 269 V HA -0.283 3.830 4.120 -0.011 0.000 0.248 269 V C 2.607 178.742 176.094 0.068 0.000 1.053 269 V CA 2.220 64.531 62.300 0.017 0.000 1.027 269 V CB -0.828 31.057 31.823 0.103 0.000 0.646 269 V HN 0.473 nan 8.190 nan 0.000 0.447 270 R N -0.032 120.335 120.500 -0.223 0.000 2.120 270 R HA -0.085 4.249 4.340 -0.011 0.000 0.234 270 R C 2.404 178.606 176.300 -0.163 0.000 1.123 270 R CA 1.329 57.110 56.100 -0.531 0.000 0.975 270 R CB -0.547 29.275 30.300 -0.796 0.000 0.866 270 R HN 0.556 nan 8.270 nan 0.000 0.446 271 A N 0.523 123.286 122.820 -0.094 0.000 1.873 271 A HA -0.214 4.100 4.320 -0.011 0.000 0.215 271 A C 1.973 179.471 177.584 -0.143 0.000 1.186 271 A CA 1.090 53.082 52.037 -0.074 0.000 0.616 271 A CB -0.704 18.279 19.000 -0.028 0.000 0.823 271 A HN 0.405 nan 8.150 nan 0.000 0.442 272 Y N -0.681 119.426 120.300 -0.321 0.000 2.145 272 Y HA -0.111 4.432 4.550 -0.012 0.000 0.286 272 Y C 0.783 176.386 175.900 -0.494 0.000 1.145 272 Y CA 1.592 59.348 58.100 -0.573 0.000 1.148 272 Y CB -0.191 37.784 38.460 -0.809 0.000 0.981 272 Y HN 0.239 nan 8.280 nan 0.000 0.507 273 F N -0.054 120.005 119.950 0.182 0.000 2.980 273 F HA 0.349 4.871 4.527 -0.009 0.000 0.299 273 F C 1.579 177.487 175.800 0.181 0.000 1.211 273 F CA -0.085 58.036 58.000 0.202 0.000 1.328 273 F CB -0.318 38.972 39.000 0.484 0.000 1.154 273 F HN 0.119 nan 8.300 nan 0.000 0.528 274 A N 0.118 123.006 122.820 0.112 0.000 1.892 274 A HA -0.226 4.088 4.320 -0.011 0.000 0.218 274 A C 2.164 179.818 177.584 0.118 0.000 1.188 274 A CA 2.158 54.250 52.037 0.093 0.000 0.631 274 A CB -0.380 18.605 19.000 -0.024 0.000 0.822 274 A HN 0.367 nan 8.150 nan 0.000 0.447 275 D N -0.277 120.156 120.400 0.054 0.000 2.144 275 D HA -0.103 4.530 4.640 -0.011 0.000 0.199 275 D C 2.104 178.411 176.300 0.013 0.000 0.984 275 D CA 1.529 55.539 54.000 0.016 0.000 0.834 275 D CB -0.447 40.344 40.800 -0.015 0.000 0.955 275 D HN 0.267 nan 8.370 nan 0.000 0.465 276 V N 0.626 120.550 119.914 0.016 0.000 2.295 276 V HA -0.223 3.891 4.120 -0.011 0.000 0.246 276 V C 2.110 178.135 176.094 -0.116 0.000 1.049 276 V CA 1.337 63.544 62.300 -0.156 0.000 1.024 276 V CB -0.622 30.794 31.823 -0.678 0.000 0.648 276 V HN 0.064 nan 8.190 nan 0.000 0.447 277 F N 0.432 120.384 119.950 0.003 0.000 2.558 277 F HA 0.150 4.671 4.527 -0.010 0.000 0.298 277 F C 2.243 178.045 175.800 0.003 0.000 1.119 277 F CA 0.825 58.850 58.000 0.043 0.000 1.451 277 F CB -0.558 38.484 39.000 0.070 0.000 1.091 277 F HN 0.080 nan 8.300 nan 0.000 0.563 278 A N -0.823 122.062 122.820 0.107 0.000 2.067 278 A HA -0.126 4.187 4.320 -0.011 0.000 0.217 278 A C 2.085 179.618 177.584 -0.086 0.000 1.156 278 A CA 1.210 53.259 52.037 0.020 0.000 0.683 278 A CB -0.378 18.623 19.000 0.002 0.000 0.808 278 A HN 0.443 nan 8.150 nan 0.000 0.455 279 Q N -2.351 117.337 119.800 -0.187 0.000 2.390 279 Q HA 0.081 4.414 4.340 -0.011 0.000 0.216 279 Q C 0.262 175.868 176.000 -0.657 0.000 0.916 279 Q CA 0.580 56.096 55.803 -0.478 0.000 0.911 279 Q CB 0.289 28.612 28.738 -0.691 0.000 1.035 279 Q HN 0.716 nan 8.270 nan 0.000 0.541 280 Y N -1.414 118.801 120.300 -0.142 0.000 2.682 280 Y HA 0.398 4.942 4.550 -0.011 0.000 0.251 280 Y C 1.464 177.287 175.900 -0.128 0.000 1.172 280 Y CA -0.223 57.788 58.100 -0.149 0.000 1.186 280 Y CB 0.449 38.781 38.460 -0.214 0.000 1.216 280 Y HN 0.155 nan 8.280 nan 0.000 0.540 281 G N 0.934 109.764 108.800 0.050 0.000 2.628 281 G HA2 -0.408 3.545 3.960 -0.011 0.000 0.217 281 G HA3 -0.408 3.545 3.960 -0.011 0.000 0.217 281 G C 1.471 176.446 174.900 0.126 0.000 1.240 281 G CA 1.799 46.992 45.100 0.154 0.000 0.792 281 G HN 0.402 nan 8.290 nan 0.000 0.593 282 E N 0.045 120.295 120.200 0.082 0.000 2.095 282 E HA -0.292 4.052 4.350 -0.011 0.000 0.212 282 E C 2.482 179.123 176.600 0.069 0.000 1.044 282 E CA 2.297 58.737 56.400 0.067 0.000 0.857 282 E CB -0.430 29.294 29.700 0.040 0.000 0.764 282 E HN 0.655 nan 8.360 nan 0.000 0.462 283 Q N -0.303 119.537 119.800 0.068 0.000 1.993 283 Q HA -0.189 4.144 4.340 -0.011 0.000 0.202 283 Q C 2.424 178.458 176.000 0.056 0.000 0.984 283 Q CA 1.886 57.726 55.803 0.062 0.000 0.837 283 Q CB -0.251 28.535 28.738 0.080 0.000 0.902 283 Q HN 0.399 nan 8.270 nan 0.000 0.423 284 L N 0.405 121.659 121.223 0.051 0.000 1.990 284 L HA -0.257 4.076 4.340 -0.011 0.000 0.213 284 L C 2.566 179.505 176.870 0.115 0.000 1.072 284 L CA 0.901 55.770 54.840 0.048 0.000 0.755 284 L CB -0.612 41.418 42.059 -0.049 0.000 0.889 284 L HN 0.384 nan 8.230 nan 0.000 0.432 285 L N -0.270 121.048 121.223 0.159 0.000 2.042 285 L HA -0.211 4.122 4.340 -0.011 0.000 0.210 285 L C 2.867 179.795 176.870 0.098 0.000 1.076 285 L CA 2.048 56.979 54.840 0.152 0.000 0.749 285 L CB -1.543 40.606 42.059 0.151 0.000 0.893 285 L HN 0.289 nan 8.230 nan 0.000 0.432 286 A N -0.225 122.642 122.820 0.078 0.000 1.972 286 A HA -0.085 4.229 4.320 -0.011 0.000 0.219 286 A C 2.274 179.888 177.584 0.050 0.000 1.169 286 A CA 1.526 53.597 52.037 0.057 0.000 0.635 286 A CB -0.452 18.576 19.000 0.048 0.000 0.810 286 A HN 0.394 nan 8.150 nan 0.000 0.446 287 A N -1.741 121.109 122.820 0.050 0.000 2.238 287 A HA 0.409 4.723 4.320 -0.011 0.000 0.208 287 A C 1.780 179.391 177.584 0.044 0.000 1.177 287 A CA 1.151 53.211 52.037 0.038 0.000 0.804 287 A CB -1.042 17.974 19.000 0.027 0.000 0.823 287 A HN 1.868 nan 8.150 nan 0.000 0.482 288 G N -1.055 107.781 108.800 0.061 0.000 2.148 288 G HA2 -0.233 3.721 3.960 -0.011 0.000 0.254 288 G HA3 -0.233 3.721 3.960 -0.011 0.000 0.254 288 G C 0.228 175.175 174.900 0.079 0.000 0.981 288 G CA 0.395 45.534 45.100 0.065 0.000 0.670 288 G HN 0.562 nan 8.290 nan 0.000 0.528 289 L N 1.361 122.641 121.223 0.095 0.000 2.719 289 L HA 0.282 4.615 4.340 -0.011 0.000 0.236 289 L C 1.244 178.256 176.870 0.237 0.000 1.285 289 L CA -0.060 54.850 54.840 0.116 0.000 1.222 289 L CB -0.113 41.986 42.059 0.068 0.000 1.493 289 L HN 0.331 nan 8.230 nan 0.000 0.415 290 N N -0.183 118.646 118.700 0.215 0.000 2.280 290 N HA 0.085 4.819 4.740 -0.011 0.000 0.192 290 N C 1.266 176.881 175.510 0.175 0.000 1.109 290 N CA 0.516 53.713 53.050 0.244 0.000 0.855 290 N CB 0.660 39.221 38.487 0.123 0.000 0.974 290 N HN 0.392 nan 8.380 nan 0.000 0.482 291 G N 0.253 109.174 108.800 0.201 0.000 2.195 291 G HA2 -0.338 3.616 3.960 -0.011 0.000 0.246 291 G HA3 -0.338 3.616 3.960 -0.011 0.000 0.246 291 G C 0.706 175.744 174.900 0.230 0.000 0.984 291 G CA 0.297 45.517 45.100 0.200 0.000 0.633 291 G HN 0.425 nan 8.290 nan 0.000 0.525 292 E N -0.126 120.176 120.200 0.170 0.000 2.409 292 E HA 0.004 4.348 4.350 -0.011 0.000 0.198 292 E C 1.552 178.225 176.600 0.122 0.000 1.024 292 E CA 0.918 57.424 56.400 0.177 0.000 0.861 292 E CB -0.075 29.700 29.700 0.124 0.000 0.788 292 E HN 0.596 nan 8.360 nan 0.000 0.521 293 N N -0.475 118.283 118.700 0.097 0.000 2.204 293 N HA 0.176 4.910 4.740 -0.011 0.000 0.219 293 N C -0.474 175.053 175.510 0.028 0.000 1.151 293 N CA 0.380 53.446 53.050 0.028 0.000 0.867 293 N CB 1.776 40.275 38.487 0.020 0.000 1.043 293 N HN 0.135 nan 8.380 nan 0.000 0.516 294 G N 0.283 109.165 108.800 0.136 0.000 2.707 294 G HA2 -0.240 3.713 3.960 -0.011 0.000 0.686 294 G HA3 -0.240 3.713 3.960 -0.011 0.000 0.686 294 G C 0.272 175.232 174.900 0.100 0.000 1.315 294 G CA -0.447 44.776 45.100 0.204 0.000 0.832 294 G HN 0.166 nan 8.290 nan 0.000 0.573 295 L N 0.985 122.227 121.223 0.033 0.000 2.131 295 L HA 0.282 4.615 4.340 -0.011 0.000 0.210 295 L C 3.053 179.755 176.870 -0.280 0.000 1.092 295 L CA 3.273 57.989 54.840 -0.207 0.000 0.759 295 L CB -0.921 40.909 42.059 -0.381 0.000 0.903 295 L HN 1.560 nan 8.230 nan 0.000 0.435 296 A N -0.279 122.450 122.820 -0.151 0.000 1.883 296 A HA -0.150 4.163 4.320 -0.011 0.000 0.217 296 A C 2.486 180.035 177.584 -0.058 0.000 1.186 296 A CA 1.922 53.942 52.037 -0.029 0.000 0.624 296 A CB -1.242 17.818 19.000 0.100 0.000 0.822 296 A HN 0.567 nan 8.150 nan 0.000 0.444 297 A N -0.156 122.640 122.820 -0.040 0.000 1.940 297 A HA -0.106 4.207 4.320 -0.011 0.000 0.219 297 A C 2.132 179.679 177.584 -0.062 0.000 1.176 297 A CA 1.595 53.612 52.037 -0.033 0.000 0.631 297 A CB -0.617 18.380 19.000 -0.004 0.000 0.814 297 A HN 0.529 nan 8.150 nan 0.000 0.446 298 I N -0.437 120.069 120.570 -0.106 0.000 2.113 298 I HA -0.265 3.899 4.170 -0.011 0.000 0.238 298 I C 2.434 178.411 176.117 -0.234 0.000 1.070 298 I CA 1.299 62.499 61.300 -0.166 0.000 1.332 298 I CB -0.505 37.323 38.000 -0.286 0.000 1.044 298 I HN 0.286 nan 8.210 nan 0.000 0.402 299 L N 0.689 121.717 121.223 -0.325 0.000 2.013 299 L HA -0.266 4.068 4.340 -0.011 0.000 0.212 299 L C 2.839 179.624 176.870 -0.141 0.000 1.073 299 L CA 2.023 56.701 54.840 -0.271 0.000 0.753 299 L CB -0.877 41.034 42.059 -0.246 0.000 0.890 299 L HN 0.423 nan 8.230 nan 0.000 0.432 300 S N -0.400 115.240 115.700 -0.100 0.000 2.402 300 S HA -0.099 4.365 4.470 -0.011 0.000 0.229 300 S C 1.941 176.508 174.600 -0.055 0.000 1.021 300 S CA 0.912 59.076 58.200 -0.060 0.000 0.974 300 S CB -0.821 62.355 63.200 -0.040 0.000 0.800 300 S HN 0.450 nan 8.310 nan 0.000 0.484 301 G N 1.015 109.778 108.800 -0.062 0.000 2.650 301 G HA2 0.207 4.160 3.960 -0.011 0.000 0.214 301 G HA3 0.207 4.160 3.960 -0.011 0.000 0.214 301 G C 1.286 176.155 174.900 -0.051 0.000 1.136 301 G CA 0.163 45.236 45.100 -0.045 0.000 0.789 301 G HN 0.506 nan 8.290 nan 0.000 0.536 302 L N 0.068 121.248 121.223 -0.072 0.000 2.217 302 L HA 0.056 4.390 4.340 -0.011 0.000 0.211 302 L C 2.092 178.928 176.870 -0.057 0.000 1.107 302 L CA 0.633 55.430 54.840 -0.072 0.000 0.783 302 L CB -0.180 41.825 42.059 -0.090 0.000 0.919 302 L HN 0.272 nan 8.230 nan 0.000 0.442 303 E N -0.721 119.449 120.200 -0.049 0.000 2.461 303 E HA -0.092 4.252 4.350 -0.011 0.000 0.196 303 E C 1.385 177.968 176.600 -0.030 0.000 1.129 303 E CA 0.170 56.547 56.400 -0.037 0.000 0.902 303 E CB 0.104 29.784 29.700 -0.033 0.000 0.963 303 E HN 0.172 nan 8.360 nan 0.000 0.503 304 S N -0.160 115.522 115.700 -0.031 0.000 2.733 304 S HA 0.196 4.659 4.470 -0.011 0.000 0.247 304 S C 0.149 174.736 174.600 -0.021 0.000 1.043 304 S CA -0.388 57.798 58.200 -0.022 0.000 1.066 304 S CB 0.442 63.630 63.200 -0.019 0.000 1.045 304 S HN 0.072 nan 8.310 nan 0.000 0.586 305 L N 1.679 122.884 121.223 -0.030 0.000 2.325 305 L HA 0.492 4.826 4.340 -0.011 0.000 0.278 305 L C 1.061 177.913 176.870 -0.029 0.000 1.023 305 L CA -0.507 54.316 54.840 -0.030 0.000 0.811 305 L CB 1.483 43.515 42.059 -0.044 0.000 1.249 305 L HN 0.094 nan 8.230 nan 0.000 0.431 306 D N 1.408 121.796 120.400 -0.019 0.000 2.158 306 D HA -0.221 4.413 4.640 -0.011 0.000 0.197 306 D C 1.059 177.346 176.300 -0.022 0.000 0.995 306 D CA 1.863 55.854 54.000 -0.015 0.000 0.846 306 D CB 0.196 40.993 40.800 -0.005 0.000 0.941 306 D HN 0.715 nan 8.370 nan 0.000 0.456 307 N N -1.577 117.103 118.700 -0.032 0.000 2.380 307 N HA 0.182 4.915 4.740 -0.011 0.000 0.255 307 N C 1.536 176.986 175.510 -0.100 0.000 1.158 307 N CA 0.026 53.047 53.050 -0.050 0.000 0.878 307 N CB 0.763 39.234 38.487 -0.028 0.000 1.138 307 N HN 0.106 nan 8.380 nan 0.000 0.509 308 G N 1.712 110.464 108.800 -0.080 0.000 2.440 308 G HA2 -0.264 3.690 3.960 -0.011 0.000 0.218 308 G HA3 -0.264 3.690 3.960 -0.011 0.000 0.218 308 G C 1.540 176.386 174.900 -0.090 0.000 1.154 308 G CA 0.602 45.648 45.100 -0.091 0.000 0.767 308 G HN 0.289 nan 8.290 nan 0.000 0.552 309 E N 0.267 120.428 120.200 -0.065 0.000 2.204 309 E HA -0.081 4.263 4.350 -0.011 0.000 0.194 309 E C 2.177 178.741 176.600 -0.061 0.000 0.989 309 E CA 0.805 57.174 56.400 -0.050 0.000 0.824 309 E CB -0.117 29.564 29.700 -0.032 0.000 0.756 309 E HN 0.746 nan 8.360 nan 0.000 0.477 310 E N 0.737 120.885 120.200 -0.086 0.000 2.028 310 E HA -0.097 4.246 4.350 -0.011 0.000 0.190 310 E C 2.227 178.712 176.600 -0.193 0.000 0.984 310 E CA 0.512 56.856 56.400 -0.093 0.000 0.800 310 E CB -0.029 29.634 29.700 -0.062 0.000 0.758 310 E HN 0.148 nan 8.360 nan 0.000 0.448 311 I N 1.174 121.520 120.570 -0.373 0.000 2.264 311 I HA -0.264 3.900 4.170 -0.011 0.000 0.248 311 I C 2.725 178.730 176.117 -0.187 0.000 1.111 311 I CA 1.145 62.100 61.300 -0.574 0.000 1.382 311 I CB -0.284 37.337 38.000 -0.633 0.000 1.060 311 I HN 0.131 nan 8.210 nan 0.000 0.418 312 K N 1.209 121.569 120.400 -0.067 0.000 2.147 312 K HA -0.172 4.142 4.320 -0.011 0.000 0.205 312 K C 2.104 178.729 176.600 0.042 0.000 1.049 312 K CA 1.375 57.683 56.287 0.036 0.000 0.936 312 K CB -0.027 32.461 32.500 -0.019 0.000 0.722 312 K HN 0.324 nan 8.250 nan 0.000 0.446 313 A N 0.566 123.380 122.820 -0.011 0.000 1.970 313 A HA 0.044 4.358 4.320 -0.011 0.000 0.216 313 A C 2.203 179.791 177.584 0.006 0.000 1.170 313 A CA 1.302 53.343 52.037 0.007 0.000 0.645 313 A CB -0.441 18.557 19.000 -0.002 0.000 0.816 313 A HN 0.409 nan 8.150 nan 0.000 0.447 314 A N -1.002 121.785 122.820 -0.056 0.000 1.930 314 A HA 0.022 4.336 4.320 -0.011 0.000 0.217 314 A C 1.942 179.452 177.584 -0.124 0.000 1.175 314 A CA 1.287 53.268 52.037 -0.094 0.000 0.627 314 A CB -0.688 18.223 19.000 -0.148 0.000 0.815 314 A HN 0.474 nan 8.150 nan 0.000 0.443 315 F N 0.268 120.144 119.950 -0.124 0.000 2.113 315 F HA -0.127 4.393 4.527 -0.011 0.000 0.297 315 F C 2.497 178.294 175.800 -0.004 0.000 1.103 315 F CA 1.726 59.587 58.000 -0.230 0.000 1.248 315 F CB -0.235 38.493 39.000 -0.452 0.000 0.999 315 F HN 0.279 nan 8.300 nan 0.000 0.475 316 E N 0.129 120.444 120.200 0.191 0.000 2.160 316 E HA -0.279 4.064 4.350 -0.011 0.000 0.195 316 E C 2.023 178.725 176.600 0.171 0.000 0.991 316 E CA 1.260 57.762 56.400 0.169 0.000 0.810 316 E CB -0.241 29.521 29.700 0.104 0.000 0.742 316 E HN 0.364 nan 8.360 nan 0.000 0.466 317 K N 0.567 121.046 120.400 0.131 0.000 2.103 317 K HA -0.081 4.232 4.320 -0.011 0.000 0.204 317 K C 2.202 178.890 176.600 0.147 0.000 1.052 317 K CA 1.112 57.462 56.287 0.105 0.000 0.945 317 K CB -0.124 32.411 32.500 0.058 0.000 0.722 317 K HN 0.140 nan 8.250 nan 0.000 0.443 318 G N 1.283 110.227 108.800 0.240 0.000 2.422 318 G HA2 -0.210 3.743 3.960 -0.011 0.000 0.218 318 G HA3 -0.210 3.743 3.960 -0.011 0.000 0.218 318 G C 1.420 176.537 174.900 0.362 0.000 1.146 318 G CA 0.576 45.876 45.100 0.334 0.000 0.769 318 G HN 0.209 nan 8.290 nan 0.000 0.547 319 L N -0.144 121.387 121.223 0.515 0.000 2.217 319 L HA 0.036 4.370 4.340 -0.011 0.000 0.211 319 L C 2.742 179.761 176.870 0.249 0.000 1.107 319 L CA 0.935 56.046 54.840 0.451 0.000 0.783 319 L CB -0.165 42.141 42.059 0.413 0.000 0.919 319 L HN 0.277 nan 8.230 nan 0.000 0.442 320 E N -0.485 119.820 120.200 0.175 0.000 2.250 320 E HA -0.123 4.221 4.350 -0.011 0.000 0.192 320 E C 1.309 177.948 176.600 0.064 0.000 0.986 320 E CA 0.636 57.100 56.400 0.107 0.000 0.849 320 E CB 0.184 29.936 29.700 0.086 0.000 0.797 320 E HN 0.419 nan 8.360 nan 0.000 0.482 321 D N 0.423 120.849 120.400 0.044 0.000 2.216 321 D HA 0.004 4.638 4.640 -0.011 0.000 0.208 321 D C 1.088 177.342 176.300 -0.077 0.000 0.960 321 D CA 0.622 54.613 54.000 -0.015 0.000 0.861 321 D CB -0.407 40.377 40.800 -0.027 0.000 0.985 321 D HN 0.078 nan 8.370 nan 0.000 0.493 322 G N 1.567 110.280 108.800 -0.145 0.000 2.653 322 G HA2 0.313 4.267 3.960 -0.011 0.000 0.265 322 G HA3 0.313 4.267 3.960 -0.011 0.000 0.265 322 G C -2.281 172.556 174.900 -0.106 0.000 1.237 322 G CA -0.758 44.145 45.100 -0.328 0.000 0.946 322 G HN -0.021 nan 8.290 nan 0.000 0.522 323 P HA 0.114 nan 4.420 nan 0.000 0.272 323 P C -0.644 176.760 177.300 0.173 0.000 1.223 323 P CA -0.326 62.806 63.100 0.054 0.000 0.784 323 P CB 0.875 32.611 31.700 0.061 0.000 0.923 324 D N 1.512 121.992 120.400 0.133 0.000 2.443 324 D HA 0.120 4.754 4.640 -0.011 0.000 0.239 324 D C 0.375 176.769 176.300 0.157 0.000 1.136 324 D CA 0.467 54.546 54.000 0.132 0.000 0.879 324 D CB 0.588 41.439 40.800 0.086 0.000 1.195 324 D HN 0.263 nan 8.370 nan 0.000 0.443 325 L N 1.444 122.740 121.223 0.122 0.000 2.325 325 L HA 0.410 4.744 4.340 -0.011 0.000 0.279 325 L C 0.687 177.613 176.870 0.094 0.000 1.054 325 L CA -0.917 53.985 54.840 0.103 0.000 0.804 325 L CB 1.386 43.441 42.059 -0.006 0.000 1.200 325 L HN 0.347 nan 8.230 nan 0.000 0.436 326 A N 4.438 127.310 122.820 0.087 0.000 2.511 326 A HA 0.400 4.714 4.320 -0.011 0.000 0.242 326 A C -0.041 177.600 177.584 0.095 0.000 1.069 326 A CA -0.096 51.991 52.037 0.083 0.000 0.763 326 A CB 0.115 19.148 19.000 0.055 0.000 1.001 326 A HN 0.567 nan 8.150 nan 0.000 0.498 327 M N 2.892 122.568 119.600 0.128 0.000 2.318 327 M HA 0.240 4.713 4.480 -0.011 0.000 0.347 327 M C 0.862 177.218 176.300 0.093 0.000 1.175 327 M CA -0.309 55.054 55.300 0.106 0.000 1.075 327 M CB 1.197 33.861 32.600 0.107 0.000 1.614 327 M HN 0.430 nan 8.290 nan 0.000 0.456 328 V N 1.492 121.433 119.914 0.045 0.000 2.672 328 V HA 0.102 4.216 4.120 -0.011 0.000 0.242 328 V C 0.565 176.646 176.094 -0.021 0.000 1.059 328 V CA 0.949 63.261 62.300 0.020 0.000 1.081 328 V CB 0.007 31.839 31.823 0.015 0.000 0.752 328 V HN 0.890 nan 8.190 nan 0.000 0.472 329 N N -0.448 118.228 118.700 -0.040 0.000 2.664 329 N HA 0.060 4.794 4.740 -0.011 0.000 0.268 329 N C 0.829 176.304 175.510 -0.059 0.000 1.222 329 N CA 0.732 53.745 53.050 -0.062 0.000 0.805 329 N CB 1.837 40.279 38.487 -0.075 0.000 1.399 329 N HN 0.177 nan 8.380 nan 0.000 0.547 330 S N 1.715 117.393 115.700 -0.037 0.000 2.383 330 S HA -0.100 4.364 4.470 -0.011 0.000 0.227 330 S C 1.941 176.523 174.600 -0.030 0.000 1.026 330 S CA 1.033 59.222 58.200 -0.018 0.000 0.981 330 S CB -0.181 63.024 63.200 0.008 0.000 0.818 330 S HN 0.483 nan 8.310 nan 0.000 0.472 331 A N 2.026 124.821 122.820 -0.041 0.000 2.076 331 A HA 0.008 4.322 4.320 -0.011 0.000 0.220 331 A C 2.228 179.787 177.584 -0.042 0.000 1.160 331 A CA 1.125 53.139 52.037 -0.038 0.000 0.653 331 A CB -0.373 18.600 19.000 -0.044 0.000 0.801 331 A HN 0.622 nan 8.150 nan 0.000 0.455 332 R N -1.994 118.470 120.500 -0.059 0.000 2.508 332 R HA 0.273 4.607 4.340 -0.011 0.000 0.300 332 R C 0.953 177.193 176.300 -0.101 0.000 0.970 332 R CA 0.405 56.462 56.100 -0.072 0.000 1.102 332 R CB 0.273 30.523 30.300 -0.083 0.000 1.246 332 R HN 0.591 nan 8.270 nan 0.000 0.539 333 G N 2.284 111.032 108.800 -0.088 0.000 2.221 333 G HA2 -0.272 3.681 3.960 -0.011 0.000 0.265 333 G HA3 -0.272 3.681 3.960 -0.011 0.000 0.265 333 G C 0.080 174.827 174.900 -0.255 0.000 1.041 333 G CA 0.023 45.067 45.100 -0.093 0.000 0.807 333 G HN 0.280 nan 8.290 nan 0.000 0.502 334 I N 2.153 122.547 120.570 -0.293 0.000 2.301 334 I HA 0.321 4.485 4.170 -0.011 0.000 0.292 334 I C 1.320 177.329 176.117 -0.179 0.000 1.046 334 I CA 0.013 61.018 61.300 -0.491 0.000 1.282 334 I CB 0.843 38.670 38.000 -0.287 0.000 1.409 334 I HN 0.315 nan 8.210 nan 0.000 0.484 335 T N 0.767 115.329 114.554 0.013 0.000 2.849 335 T HA 0.158 4.502 4.350 -0.011 0.000 0.276 335 T C 0.978 175.807 174.700 0.216 0.000 0.971 335 T CA -0.618 61.599 62.100 0.195 0.000 0.949 335 T CB 1.114 70.135 68.868 0.254 0.000 1.093 335 T HN 0.629 nan 8.240 nan 0.000 0.545 336 N N -0.520 118.265 118.700 0.142 0.000 2.272 336 N HA -0.062 4.672 4.740 -0.011 0.000 0.185 336 N C 1.533 177.198 175.510 0.258 0.000 1.014 336 N CA 0.687 53.815 53.050 0.130 0.000 0.870 336 N CB -0.334 38.175 38.487 0.037 0.000 0.975 336 N HN 0.573 nan 8.380 nan 0.000 0.433 337 L N -1.055 120.301 121.223 0.222 0.000 2.558 337 L HA 0.050 4.384 4.340 -0.011 0.000 0.225 337 L C 1.391 178.454 176.870 0.321 0.000 1.128 337 L CA 0.083 55.077 54.840 0.256 0.000 0.868 337 L CB -0.253 41.809 42.059 0.004 0.000 1.006 337 L HN 0.229 nan 8.230 nan 0.000 0.454 338 H N -0.286 118.902 119.070 0.197 0.000 2.326 338 H HA 0.041 4.590 4.556 -0.011 0.000 0.301 338 H C 0.262 175.638 175.328 0.079 0.000 1.081 338 H CA 0.917 57.035 56.048 0.117 0.000 1.334 338 H CB 0.273 30.066 29.762 0.052 0.000 1.385 338 H HN -0.032 nan 8.280 nan 0.000 0.504 339 V N 1.120 121.119 119.914 0.142 0.000 2.531 339 V HA 0.138 4.252 4.120 -0.011 0.000 0.301 339 V C -1.683 174.212 176.094 -0.332 0.000 1.034 339 V CA -1.402 60.862 62.300 -0.061 0.000 0.865 339 V CB 2.268 34.069 31.823 -0.036 0.000 0.995 339 V HN 0.082 nan 8.190 nan 0.000 0.424 340 P HA -0.172 nan 4.420 nan 0.000 0.216 340 P C 1.539 178.482 177.300 -0.596 0.000 1.154 340 P CA 1.859 64.137 63.100 -1.370 0.000 0.865 340 P CB 0.190 31.337 31.700 -0.921 0.000 0.789 341 S N -2.369 113.146 115.700 -0.309 0.000 2.603 341 S HA -0.019 4.445 4.470 -0.011 0.000 0.220 341 S C 1.459 176.006 174.600 -0.089 0.000 0.967 341 S CA 0.380 58.489 58.200 -0.153 0.000 0.920 341 S CB -0.857 62.277 63.200 -0.111 0.000 0.773 341 S HN 0.016 nan 8.310 nan 0.000 0.529 342 D N 1.938 122.289 120.400 -0.083 0.000 2.117 342 D HA 0.007 4.641 4.640 -0.011 0.000 0.197 342 D C 0.285 176.581 176.300 -0.007 0.000 0.987 342 D CA 0.863 54.846 54.000 -0.028 0.000 0.829 342 D CB -0.104 40.696 40.800 0.001 0.000 0.961 342 D HN 0.297 nan 8.370 nan 0.000 0.460 343 V N 2.092 122.008 119.914 0.003 0.000 2.328 343 V HA 0.268 4.382 4.120 -0.011 0.000 0.278 343 V C 0.173 176.277 176.094 0.017 0.000 1.021 343 V CA -0.416 61.886 62.300 0.003 0.000 0.838 343 V CB 1.474 33.266 31.823 -0.051 0.000 0.999 343 V HN -0.035 nan 8.190 nan 0.000 0.447 344 I N 5.059 125.644 120.570 0.025 0.000 2.328 344 I HA 0.222 4.386 4.170 -0.011 0.000 0.287 344 I C 1.263 177.397 176.117 0.028 0.000 1.012 344 I CA -0.257 61.064 61.300 0.034 0.000 1.195 344 I CB 1.753 39.765 38.000 0.020 0.000 1.350 344 I HN 0.437 nan 8.210 nan 0.000 0.464 345 V N 6.429 126.363 119.914 0.033 0.000 2.236 345 V HA -0.364 3.750 4.120 -0.011 0.000 0.255 345 V C 2.118 178.055 176.094 -0.261 0.000 1.068 345 V CA 3.028 65.282 62.300 -0.076 0.000 1.044 345 V CB -0.301 31.471 31.823 -0.085 0.000 0.653 345 V HN 1.024 nan 8.190 nan 0.000 0.448 346 D N -0.215 120.027 120.400 -0.263 0.000 2.310 346 D HA -0.028 4.605 4.640 -0.011 0.000 0.212 346 D C 1.720 177.979 176.300 -0.069 0.000 0.965 346 D CA 1.536 55.415 54.000 -0.202 0.000 0.879 346 D CB -0.225 40.539 40.800 -0.060 0.000 0.921 346 D HN 0.597 nan 8.370 nan 0.000 0.510 347 A N 0.797 123.589 122.820 -0.048 0.000 1.942 347 A HA 0.048 4.362 4.320 -0.011 0.000 0.209 347 A C 2.282 179.860 177.584 -0.010 0.000 1.214 347 A CA 1.021 53.050 52.037 -0.013 0.000 0.686 347 A CB -0.347 18.656 19.000 0.005 0.000 0.871 347 A HN 0.293 nan 8.150 nan 0.000 0.460 348 S N -0.231 115.469 115.700 0.000 0.000 2.368 348 S HA -0.132 4.332 4.470 -0.011 0.000 0.224 348 S C 1.950 176.529 174.600 -0.035 0.000 1.029 348 S CA 1.593 59.826 58.200 0.055 0.000 0.988 348 S CB -0.457 62.861 63.200 0.196 0.000 0.838 348 S HN 0.287 nan 8.310 nan 0.000 0.462 349 M N 1.955 121.409 119.600 -0.244 0.000 2.117 349 M HA 0.090 4.564 4.480 -0.011 0.000 0.262 349 M C -0.726 175.467 176.300 -0.179 0.000 1.065 349 M CA 0.880 55.914 55.300 -0.443 0.000 1.114 349 M CB -2.643 29.268 32.600 -1.149 0.000 1.361 349 M HN 0.221 nan 8.290 nan 0.000 0.408 350 P HA -0.036 nan 4.420 nan 0.000 0.217 350 P C 1.333 178.669 177.300 0.059 0.000 1.150 350 P CA 1.815 64.927 63.100 0.020 0.000 0.832 350 P CB -0.153 31.558 31.700 0.018 0.000 0.787 351 A N -0.257 122.594 122.820 0.051 0.000 1.902 351 A HA -0.207 4.107 4.320 -0.011 0.000 0.217 351 A C 2.194 179.841 177.584 0.106 0.000 1.181 351 A CA 1.792 53.886 52.037 0.094 0.000 0.623 351 A CB -1.571 17.490 19.000 0.101 0.000 0.818 351 A HN 0.098 nan 8.150 nan 0.000 0.443 352 M N -0.127 119.515 119.600 0.070 0.000 2.117 352 M HA -0.102 4.372 4.480 -0.011 0.000 0.262 352 M C 1.983 178.325 176.300 0.071 0.000 1.065 352 M CA 1.838 57.163 55.300 0.042 0.000 1.114 352 M CB -0.672 31.931 32.600 0.005 0.000 1.361 352 M HN 0.431 nan 8.290 nan 0.000 0.408 353 I N -0.233 120.436 120.570 0.166 0.000 2.226 353 I HA -0.308 3.856 4.170 -0.011 0.000 0.245 353 I C 2.721 179.104 176.117 0.444 0.000 1.100 353 I CA 1.246 62.787 61.300 0.401 0.000 1.374 353 I CB -0.552 37.628 38.000 0.300 0.000 1.057 353 I HN 0.374 nan 8.210 nan 0.000 0.413 354 R N 0.660 121.325 120.500 0.274 0.000 2.096 354 R HA -0.113 4.221 4.340 -0.011 0.000 0.235 354 R C 0.874 177.279 176.300 0.175 0.000 1.127 354 R CA 1.443 57.703 56.100 0.267 0.000 0.968 354 R CB -0.154 30.274 30.300 0.214 0.000 0.861 354 R HN 0.201 nan 8.270 nan 0.000 0.440 355 T N 1.351 115.949 114.554 0.074 0.000 3.607 355 T HA 0.106 4.450 4.350 -0.011 0.000 0.225 355 T C 0.076 174.553 174.700 -0.371 0.000 0.904 355 T CA 0.394 62.466 62.100 -0.046 0.000 0.962 355 T CB 0.224 69.110 68.868 0.031 0.000 1.221 355 T HN 0.294 nan 8.240 nan 0.000 0.641 356 S N 0.588 115.947 115.700 -0.568 0.000 3.445 356 S HA -0.220 4.244 4.470 -0.011 0.000 0.319 356 S C 1.582 174.937 174.600 -2.075 0.000 1.209 356 S CA 0.810 58.123 58.200 -1.478 0.000 0.934 356 S CB -1.770 60.767 63.200 -1.105 0.000 0.999 356 S HN 1.341 nan 8.310 nan 0.000 0.582 357 G N -0.236 107.835 108.800 -1.215 0.000 2.147 357 G HA2 -0.290 3.664 3.960 -0.011 0.000 0.244 357 G HA3 -0.290 3.664 3.960 -0.011 0.000 0.244 357 G C -0.299 174.322 174.900 -0.464 0.000 1.005 357 G CA 0.574 45.217 45.100 -0.761 0.000 0.713 357 G HN 0.873 nan 8.290 nan 0.000 0.515 358 H N -1.162 117.678 119.070 -0.384 0.000 2.533 358 H HA 0.786 5.336 4.556 -0.009 0.000 0.343 358 H C 0.628 175.740 175.328 -0.360 0.000 1.160 358 H CA -0.876 54.941 56.048 -0.385 0.000 1.218 358 H CB 1.406 30.855 29.762 -0.522 0.000 1.566 358 H HN 0.237 nan 8.280 nan 0.000 0.522 359 M N 0.594 120.057 119.600 -0.227 0.000 2.788 359 M HA 0.308 4.782 4.480 -0.011 0.000 0.291 359 M C -1.396 174.626 176.300 -0.462 0.000 1.213 359 M CA -0.804 54.373 55.300 -0.205 0.000 0.768 359 M CB 2.125 34.731 32.600 0.011 0.000 1.766 359 M HN 0.483 nan 8.290 nan 0.000 0.460 360 W N 1.278 122.589 121.300 0.018 0.000 2.520 360 W HA 0.384 5.040 4.660 -0.006 0.000 0.323 360 W C -0.061 176.459 176.519 0.001 0.000 1.062 360 W CA -0.424 56.921 57.345 -0.000 0.000 1.215 360 W CB 0.360 29.820 29.460 0.002 0.000 1.340 360 W HN 0.540 nan 8.180 nan 0.000 0.516 361 N N 1.138 119.935 118.700 0.161 0.000 2.448 361 N HA 0.229 4.963 4.740 -0.011 0.000 0.274 361 N C 0.969 176.554 175.510 0.124 0.000 1.239 361 N CA -0.715 52.400 53.050 0.107 0.000 0.982 361 N CB 0.516 39.031 38.487 0.046 0.000 1.199 361 N HN 0.525 nan 8.380 nan 0.000 0.576 362 K N -1.702 118.751 120.400 0.089 0.000 2.360 362 K HA -0.111 4.203 4.320 -0.011 0.000 0.201 362 K C -0.471 176.169 176.600 0.067 0.000 1.046 362 K CA 1.349 57.680 56.287 0.074 0.000 0.940 362 K CB -0.236 32.303 32.500 0.066 0.000 0.748 362 K HN 0.470 nan 8.250 nan 0.000 0.465 363 D N 1.851 122.295 120.400 0.073 0.000 2.388 363 D HA 0.016 4.649 4.640 -0.011 0.000 0.221 363 D C -0.566 175.791 176.300 0.096 0.000 1.133 363 D CA 0.083 54.122 54.000 0.065 0.000 0.831 363 D CB 0.156 40.985 40.800 0.048 0.000 0.962 363 D HN 0.161 nan 8.370 nan 0.000 0.502 364 D N 1.511 121.995 120.400 0.141 0.000 2.708 364 D HA -0.175 4.458 4.640 -0.011 0.000 0.236 364 D C -0.058 176.466 176.300 0.374 0.000 1.146 364 D CA 0.937 55.070 54.000 0.221 0.000 0.662 364 D CB -0.898 39.949 40.800 0.079 0.000 1.059 364 D HN 0.452 nan 8.370 nan 0.000 0.428 365 Q N -0.247 119.734 119.800 0.301 0.000 2.345 365 Q HA 0.423 4.757 4.340 -0.011 0.000 0.268 365 Q C 0.011 175.938 176.000 -0.122 0.000 1.054 365 Q CA -0.714 55.178 55.803 0.149 0.000 0.835 365 Q CB 2.058 30.808 28.738 0.021 0.000 1.339 365 Q HN 0.094 nan 8.270 nan 0.000 0.447 366 E N 1.673 121.593 120.200 -0.467 0.000 2.373 366 E HA 0.084 4.428 4.350 -0.011 0.000 0.267 366 E C -0.737 175.421 176.600 -0.737 0.000 1.032 366 E CA 0.215 56.084 56.400 -0.886 0.000 0.889 366 E CB 0.895 30.094 29.700 -0.835 0.000 0.984 366 E HN 0.280 nan 8.360 nan 0.000 0.425 367 Q N 2.080 121.459 119.800 -0.701 0.000 2.391 367 Q HA 0.132 4.466 4.340 -0.011 0.000 0.279 367 Q C -1.482 174.348 176.000 -0.284 0.000 1.028 367 Q CA -0.875 54.632 55.803 -0.493 0.000 0.836 367 Q CB 1.599 30.192 28.738 -0.240 0.000 1.414 367 Q HN 0.387 nan 8.270 nan 0.000 0.397 368 D N 1.292 121.613 120.400 -0.133 0.000 2.390 368 D HA 0.182 4.816 4.640 -0.011 0.000 0.236 368 D C -0.407 175.892 176.300 -0.001 0.000 1.189 368 D CA 0.825 54.844 54.000 0.033 0.000 0.887 368 D CB 1.167 41.983 40.800 0.026 0.000 1.198 368 D HN 0.437 nan 8.370 nan 0.000 0.444 369 T N 0.122 114.686 114.554 0.018 0.000 2.923 369 T HA 0.427 4.771 4.350 -0.011 0.000 0.311 369 T C -1.566 173.148 174.700 0.023 0.000 1.183 369 T CA -0.803 61.309 62.100 0.020 0.000 1.020 369 T CB 0.920 69.802 68.868 0.023 0.000 1.165 369 T HN 0.160 nan 8.240 nan 0.000 0.482 370 L N 4.554 125.784 121.223 0.012 0.000 2.259 370 L HA 0.790 5.123 4.340 -0.011 0.000 0.288 370 L C 0.183 177.019 176.870 -0.056 0.000 1.051 370 L CA -0.230 54.606 54.840 -0.006 0.000 0.824 370 L CB 0.189 42.251 42.059 0.006 0.000 1.206 370 L HN 0.767 nan 8.230 nan 0.000 0.429 371 A N 6.247 129.058 122.820 -0.015 0.000 2.415 371 A HA 0.494 4.807 4.320 -0.011 0.000 0.309 371 A C -0.224 177.381 177.584 0.035 0.000 1.356 371 A CA -0.424 51.617 52.037 0.008 0.000 0.998 371 A CB -0.673 18.231 19.000 -0.161 0.000 1.145 371 A HN 0.613 nan 8.150 nan 0.000 0.545 372 I N 2.929 123.501 120.570 0.003 0.000 2.396 372 I HA 0.198 4.362 4.170 -0.011 0.000 0.289 372 I C 0.117 176.340 176.117 0.177 0.000 1.056 372 I CA 0.477 61.814 61.300 0.062 0.000 1.365 372 I CB 0.625 38.559 38.000 -0.110 0.000 1.407 372 I HN 0.490 nan 8.210 nan 0.000 0.509 373 I N 9.215 129.917 120.570 0.219 0.000 2.563 373 I HA 0.219 4.383 4.170 -0.011 0.000 0.276 373 I C -1.731 174.479 176.117 0.156 0.000 1.074 373 I CA -1.485 59.935 61.300 0.200 0.000 1.124 373 I CB 1.488 39.606 38.000 0.198 0.000 1.225 373 I HN 0.390 nan 8.210 nan 0.000 0.482 374 P HA -0.228 nan 4.420 nan 0.000 0.210 374 P C 0.191 177.357 177.300 -0.224 0.000 1.151 374 P CA 1.439 64.503 63.100 -0.061 0.000 0.949 374 P CB 0.094 31.803 31.700 0.015 0.000 0.786 375 D N -1.667 118.676 120.400 -0.094 0.000 2.389 375 D HA 0.079 4.713 4.640 -0.011 0.000 0.247 375 D C 0.799 177.076 176.300 -0.039 0.000 1.128 375 D CA 0.140 54.083 54.000 -0.096 0.000 0.884 375 D CB 0.420 41.234 40.800 0.023 0.000 1.194 375 D HN -0.032 nan 8.370 nan 0.000 0.441 376 S N 1.122 116.787 115.700 -0.059 0.000 2.631 376 S HA 0.002 4.466 4.470 -0.011 0.000 0.217 376 S C 1.597 176.138 174.600 -0.099 0.000 0.958 376 S CA -0.194 57.991 58.200 -0.025 0.000 0.920 376 S CB 0.115 63.339 63.200 0.041 0.000 0.776 376 S HN 0.320 nan 8.310 nan 0.000 0.517 377 S N 1.252 116.801 115.700 -0.252 0.000 2.370 377 S HA -0.069 4.394 4.470 -0.011 0.000 0.226 377 S C 0.829 175.064 174.600 -0.609 0.000 1.033 377 S CA 1.483 59.325 58.200 -0.596 0.000 1.011 377 S CB -0.408 62.141 63.200 -1.085 0.000 0.852 377 S HN 0.880 nan 8.310 nan 0.000 0.457 378 Y N -0.709 119.664 120.300 0.123 0.000 2.471 378 Y HA 0.498 5.040 4.550 -0.012 0.000 0.249 378 Y C 2.102 178.125 175.900 0.204 0.000 1.116 378 Y CA -0.065 58.131 58.100 0.160 0.000 1.240 378 Y CB -0.143 38.436 38.460 0.198 0.000 1.251 378 Y HN 0.191 nan 8.280 nan 0.000 0.527 379 A N 0.922 123.927 122.820 0.308 0.000 1.986 379 A HA -0.169 4.145 4.320 -0.011 0.000 0.220 379 A C 2.424 180.148 177.584 0.232 0.000 1.171 379 A CA 1.996 54.216 52.037 0.306 0.000 0.640 379 A CB -1.290 17.834 19.000 0.207 0.000 0.811 379 A HN 0.509 nan 8.150 nan 0.000 0.451 380 G N -0.709 108.185 108.800 0.157 0.000 2.448 380 G HA2 -0.078 3.876 3.960 -0.011 0.000 0.219 380 G HA3 -0.078 3.876 3.960 -0.011 0.000 0.219 380 G C 1.452 176.408 174.900 0.092 0.000 1.127 380 G CA 1.124 46.289 45.100 0.109 0.000 0.766 380 G HN 0.332 nan 8.290 nan 0.000 0.552 381 V N -0.074 119.890 119.914 0.083 0.000 2.261 381 V HA -0.232 3.882 4.120 -0.011 0.000 0.246 381 V C 2.378 178.461 176.094 -0.019 0.000 1.047 381 V CA 1.766 64.079 62.300 0.022 0.000 1.015 381 V CB -0.812 31.006 31.823 -0.009 0.000 0.642 381 V HN 0.505 nan 8.190 nan 0.000 0.446 382 Y N -0.200 120.177 120.300 0.127 0.000 2.145 382 Y HA -0.292 4.250 4.550 -0.013 0.000 0.286 382 Y C 2.798 178.724 175.900 0.044 0.000 1.145 382 Y CA 1.689 59.823 58.100 0.057 0.000 1.148 382 Y CB -0.402 38.071 38.460 0.022 0.000 0.981 382 Y HN 0.211 nan 8.280 nan 0.000 0.507 383 Q N 0.429 120.354 119.800 0.209 0.000 2.135 383 Q HA -0.158 4.175 4.340 -0.011 0.000 0.204 383 Q C 1.997 178.041 176.000 0.074 0.000 0.981 383 Q CA 2.471 58.350 55.803 0.126 0.000 0.856 383 Q CB -0.673 28.132 28.738 0.111 0.000 0.902 383 Q HN 0.371 nan 8.270 nan 0.000 0.425 384 T N -0.544 114.049 114.554 0.065 0.000 2.788 384 T HA -0.081 4.263 4.350 -0.011 0.000 0.268 384 T C 1.721 176.436 174.700 0.026 0.000 1.044 384 T CA 1.343 63.463 62.100 0.033 0.000 1.139 384 T CB -0.224 68.658 68.868 0.024 0.000 0.867 384 T HN 0.116 nan 8.240 nan 0.000 0.454 385 V N 1.049 120.996 119.914 0.056 0.000 2.453 385 V HA -0.045 4.068 4.120 -0.011 0.000 0.247 385 V C 2.330 178.367 176.094 -0.094 0.000 1.048 385 V CA 1.096 63.428 62.300 0.053 0.000 1.049 385 V CB -0.549 31.343 31.823 0.113 0.000 0.672 385 V HN 0.465 nan 8.190 nan 0.000 0.457 386 I N 0.155 120.687 120.570 -0.064 0.000 2.179 386 I HA -0.255 3.908 4.170 -0.011 0.000 0.242 386 I C 2.574 178.544 176.117 -0.244 0.000 1.088 386 I CA 1.770 62.970 61.300 -0.167 0.000 1.357 386 I CB -0.376 37.662 38.000 0.063 0.000 1.051 386 I HN 0.372 nan 8.210 nan 0.000 0.409 387 E N 0.328 120.464 120.200 -0.106 0.000 2.110 387 E HA -0.285 4.059 4.350 -0.011 0.000 0.193 387 E C 1.645 178.148 176.600 -0.160 0.000 0.988 387 E CA 1.579 57.924 56.400 -0.092 0.000 0.804 387 E CB -0.185 29.495 29.700 -0.034 0.000 0.745 387 E HN 0.474 nan 8.360 nan 0.000 0.458 388 D N 0.130 120.419 120.400 -0.185 0.000 2.117 388 D HA -0.133 4.501 4.640 -0.011 0.000 0.197 388 D C 1.749 177.812 176.300 -0.394 0.000 0.987 388 D CA 1.016 54.885 54.000 -0.218 0.000 0.829 388 D CB -0.048 40.669 40.800 -0.139 0.000 0.961 388 D HN 0.124 nan 8.370 nan 0.000 0.460 389 C N -0.157 118.762 119.300 -0.634 0.000 2.457 389 C HA 0.088 4.542 4.460 -0.011 0.000 0.278 389 C C 2.581 177.170 174.990 -0.668 0.000 1.309 389 C CA 0.469 58.897 59.018 -0.984 0.000 1.735 389 C CB -1.051 25.544 27.740 -1.909 0.000 1.992 389 C HN 0.371 nan 8.230 nan 0.000 0.493 390 R N 1.245 121.473 120.500 -0.452 0.000 2.115 390 R HA -0.109 4.225 4.340 -0.011 0.000 0.230 390 R C 2.225 178.484 176.300 -0.068 0.000 1.111 390 R CA 1.296 57.360 56.100 -0.060 0.000 0.976 390 R CB -0.202 30.122 30.300 0.040 0.000 0.870 390 R HN 0.523 nan 8.270 nan 0.000 0.445 391 K N -0.583 119.735 120.400 -0.135 0.000 2.098 391 K HA -0.003 4.311 4.320 -0.011 0.000 0.203 391 K C 0.751 177.285 176.600 -0.110 0.000 1.051 391 K CA 1.072 57.300 56.287 -0.097 0.000 0.957 391 K CB 0.286 32.731 32.500 -0.093 0.000 0.738 391 K HN 0.193 nan 8.250 nan 0.000 0.447 392 N N -0.034 118.559 118.700 -0.180 0.000 2.184 392 N HA 0.107 4.841 4.740 -0.011 0.000 0.206 392 N C 0.204 175.599 175.510 -0.193 0.000 1.151 392 N CA 0.788 53.734 53.050 -0.174 0.000 0.878 392 N CB 1.472 39.842 38.487 -0.196 0.000 1.014 392 N HN 0.358 nan 8.380 nan 0.000 0.512 393 G N 0.878 109.545 108.800 -0.220 0.000 2.710 393 G HA2 -0.001 3.953 3.960 -0.011 0.000 0.668 393 G HA3 -0.001 3.953 3.960 -0.011 0.000 0.668 393 G C -0.416 174.295 174.900 -0.315 0.000 1.320 393 G CA -0.499 44.509 45.100 -0.154 0.000 0.860 393 G HN 0.373 nan 8.290 nan 0.000 0.538 394 A N -0.451 122.303 122.820 -0.109 0.000 2.448 394 A HA 0.652 4.966 4.320 -0.011 0.000 0.239 394 A C 0.378 177.854 177.584 -0.180 0.000 1.080 394 A CA 0.347 52.331 52.037 -0.088 0.000 0.779 394 A CB 0.033 19.140 19.000 0.177 0.000 1.026 394 A HN 1.246 nan 8.150 nan 0.000 0.499 395 F N 0.030 119.978 119.950 -0.002 0.000 2.406 395 F HA 0.263 4.793 4.527 0.004 0.000 0.327 395 F C 0.914 176.714 175.800 0.002 0.000 1.153 395 F CA 0.443 58.445 58.000 0.003 0.000 1.218 395 F CB 0.690 39.709 39.000 0.032 0.000 1.215 395 F HN 0.529 nan 8.300 nan 0.000 0.570 396 D N 2.417 122.936 120.400 0.199 0.000 2.460 396 D HA 0.288 4.922 4.640 -0.011 0.000 0.232 396 D C -2.052 174.295 176.300 0.077 0.000 1.079 396 D CA -2.459 51.592 54.000 0.086 0.000 0.864 396 D CB 1.498 42.327 40.800 0.048 0.000 1.048 396 D HN 0.054 nan 8.370 nan 0.000 0.523 397 P HA -0.129 nan 4.420 nan 0.000 0.218 397 P C 1.264 178.585 177.300 0.036 0.000 1.146 397 P CA 1.356 64.480 63.100 0.040 0.000 0.813 397 P CB 0.175 31.834 31.700 -0.069 0.000 0.778 398 T N -5.287 109.267 114.554 0.001 0.000 3.055 398 T HA -0.034 4.310 4.350 -0.011 0.000 0.265 398 T C 1.432 176.134 174.700 0.003 0.000 1.111 398 T CA 1.637 63.730 62.100 -0.013 0.000 1.118 398 T CB -1.029 67.811 68.868 -0.046 0.000 0.909 398 T HN 0.210 nan 8.240 nan 0.000 0.501 399 T N -0.812 113.755 114.554 0.022 0.000 2.986 399 T HA 0.384 4.728 4.350 -0.011 0.000 0.264 399 T C 0.794 175.522 174.700 0.047 0.000 0.964 399 T CA -0.503 61.614 62.100 0.027 0.000 0.895 399 T CB -0.384 68.497 68.868 0.021 0.000 1.163 399 T HN 0.587 nan 8.240 nan 0.000 0.517 400 M N 1.730 121.372 119.600 0.070 0.000 2.250 400 M HA 0.587 5.061 4.480 -0.011 0.000 0.325 400 M C 0.844 177.177 176.300 0.055 0.000 1.084 400 M CA -0.181 55.171 55.300 0.085 0.000 1.161 400 M CB 0.160 32.832 32.600 0.120 0.000 1.481 400 M HN 0.093 nan 8.290 nan 0.000 0.449 401 G N 0.793 109.620 108.800 0.045 0.000 2.489 401 G HA2 0.442 4.396 3.960 -0.011 0.000 0.271 401 G HA3 0.442 4.396 3.960 -0.011 0.000 0.271 401 G C -0.946 173.957 174.900 0.005 0.000 1.427 401 G CA -0.481 44.631 45.100 0.020 0.000 1.057 401 G HN 0.862 nan 8.290 nan 0.000 0.532 402 T N -1.802 112.740 114.554 -0.021 0.000 2.893 402 T HA 0.489 4.833 4.350 -0.011 0.000 0.291 402 T C -1.167 173.465 174.700 -0.114 0.000 1.028 402 T CA -0.420 61.656 62.100 -0.041 0.000 0.995 402 T CB 1.688 70.545 68.868 -0.019 0.000 1.051 402 T HN 0.342 nan 8.240 nan 0.000 0.470 403 V N 6.869 126.672 119.914 -0.185 0.000 2.320 403 V HA 0.367 4.481 4.120 -0.011 0.000 0.268 403 V C -2.240 173.690 176.094 -0.273 0.000 1.021 403 V CA -1.477 60.609 62.300 -0.358 0.000 0.813 403 V CB 0.946 32.211 31.823 -0.930 0.000 1.054 403 V HN 0.728 nan 8.190 nan 0.000 0.444 404 P HA 0.216 nan 4.420 nan 0.000 0.277 404 P C -0.571 176.625 177.300 -0.173 0.000 1.276 404 P CA -0.365 62.657 63.100 -0.129 0.000 0.788 404 P CB 0.659 32.301 31.700 -0.097 0.000 1.114 405 N N -0.711 117.908 118.700 -0.135 0.000 2.336 405 N HA 0.297 5.031 4.740 -0.011 0.000 0.290 405 N C -2.061 173.382 175.510 -0.111 0.000 1.058 405 N CA -0.415 52.537 53.050 -0.163 0.000 0.865 405 N CB 1.658 40.056 38.487 -0.148 0.000 1.581 405 N HN -0.034 nan 8.380 nan 0.000 0.480 406 V N 2.167 122.011 119.914 -0.117 0.000 2.326 406 V HA 0.560 4.674 4.120 -0.011 0.000 0.281 406 V C 0.563 176.730 176.094 0.122 0.000 1.015 406 V CA -0.560 61.718 62.300 -0.036 0.000 0.823 406 V CB 0.976 32.712 31.823 -0.146 0.000 1.009 406 V HN 0.724 nan 8.190 nan 0.000 0.436 407 G N 3.798 112.668 108.800 0.117 0.000 2.416 407 G HA2 0.581 4.534 3.960 -0.011 0.000 0.329 407 G HA3 0.581 4.534 3.960 -0.011 0.000 0.329 407 G C -1.075 173.815 174.900 -0.017 0.000 1.173 407 G CA -0.750 44.401 45.100 0.085 0.000 0.929 407 G HN 0.553 nan 8.290 nan 0.000 0.475 408 L N 3.272 124.273 121.223 -0.371 0.000 2.407 408 L HA 0.497 4.830 4.340 -0.011 0.000 0.282 408 L C 1.074 177.757 176.870 -0.311 0.000 1.110 408 L CA 0.083 54.543 54.840 -0.633 0.000 0.863 408 L CB 0.506 41.795 42.059 -1.284 0.000 1.207 408 L HN 0.701 nan 8.230 nan 0.000 0.454 409 M N 3.821 123.319 119.600 -0.170 0.000 2.193 409 M HA 0.518 4.992 4.480 -0.011 0.000 0.365 409 M C 0.447 176.707 176.300 -0.066 0.000 0.877 409 M CA -0.216 55.028 55.300 -0.093 0.000 1.077 409 M CB 0.421 32.999 32.600 -0.038 0.000 1.967 409 M HN 0.447 nan 8.290 nan 0.000 0.668 410 A N 2.538 125.316 122.820 -0.070 0.000 2.567 410 A HA 0.130 4.443 4.320 -0.011 0.000 0.240 410 A C 0.392 177.949 177.584 -0.045 0.000 1.053 410 A CA 0.798 52.806 52.037 -0.047 0.000 0.755 410 A CB -0.296 18.683 19.000 -0.036 0.000 0.978 410 A HN 0.721 nan 8.150 nan 0.000 0.507 411 Q N 0.719 120.499 119.800 -0.033 0.000 2.460 411 Q HA -0.155 4.178 4.340 -0.011 0.000 0.311 411 Q C -0.245 175.739 176.000 -0.026 0.000 1.396 411 Q CA 0.579 56.367 55.803 -0.026 0.000 0.838 411 Q CB -1.235 27.488 28.738 -0.024 0.000 1.140 411 Q HN 0.799 nan 8.270 nan 0.000 0.415 412 K N -2.874 117.516 120.400 -0.017 0.000 3.278 412 K HA -0.203 4.111 4.320 -0.011 0.000 0.270 412 K C 0.070 176.648 176.600 -0.037 0.000 0.955 412 K CA 1.207 57.493 56.287 -0.001 0.000 0.723 412 K CB -1.887 30.615 32.500 0.003 0.000 1.382 412 K HN 0.686 nan 8.250 nan 0.000 0.461 413 A N 1.058 123.842 122.820 -0.060 0.000 2.531 413 A HA 0.224 4.538 4.320 -0.011 0.000 0.236 413 A C 0.971 178.450 177.584 -0.174 0.000 1.062 413 A CA 0.988 52.956 52.037 -0.114 0.000 0.760 413 A CB 0.038 18.948 19.000 -0.151 0.000 0.995 413 A HN 0.498 nan 8.150 nan 0.000 0.501 414 E N 0.580 120.659 120.200 -0.202 0.000 3.374 414 E HA -0.329 4.014 4.350 -0.011 0.000 0.319 414 E C 0.851 177.245 176.600 -0.344 0.000 1.492 414 E CA 1.496 57.712 56.400 -0.306 0.000 1.899 414 E CB -0.995 28.484 29.700 -0.367 0.000 1.894 414 E HN 0.816 nan 8.360 nan 0.000 0.484 415 E N -0.306 119.631 120.200 -0.438 0.000 2.171 415 E HA -0.180 4.163 4.350 -0.011 0.000 0.197 415 E C 1.527 177.922 176.600 -0.341 0.000 0.997 415 E CA 1.596 57.736 56.400 -0.434 0.000 0.810 415 E CB -0.210 29.221 29.700 -0.447 0.000 0.738 415 E HN 0.306 nan 8.360 nan 0.000 0.467 416 Y N -0.653 119.505 120.300 -0.237 0.000 2.584 416 Y HA 0.218 4.761 4.550 -0.011 0.000 0.317 416 Y C 1.726 177.480 175.900 -0.244 0.000 1.208 416 Y CA 0.544 58.539 58.100 -0.174 0.000 1.299 416 Y CB -0.107 38.310 38.460 -0.071 0.000 1.047 416 Y HN 0.041 nan 8.280 nan 0.000 0.506 417 G N -1.875 106.789 108.800 -0.226 0.000 4.008 417 G HA2 0.018 3.972 3.960 -0.011 0.000 0.278 417 G HA3 0.018 3.972 3.960 -0.011 0.000 0.278 417 G C 0.996 175.714 174.900 -0.303 0.000 1.021 417 G CA 0.362 45.340 45.100 -0.203 0.000 0.833 417 G HN 0.277 nan 8.290 nan 0.000 0.454 418 S N -0.257 115.148 115.700 -0.493 0.000 2.593 418 S HA 0.050 4.513 4.470 -0.011 0.000 0.217 418 S C 1.684 176.068 174.600 -0.360 0.000 0.966 418 S CA -0.065 57.895 58.200 -0.400 0.000 0.914 418 S CB -0.451 62.500 63.200 -0.415 0.000 0.776 418 S HN 0.368 nan 8.310 nan 0.000 0.523 419 H N 3.191 122.205 119.070 -0.093 0.000 2.387 419 H HA -0.063 4.486 4.556 -0.011 0.000 0.299 419 H C 1.543 176.794 175.328 -0.129 0.000 1.099 419 H CA 1.702 57.692 56.048 -0.096 0.000 1.315 419 H CB -0.540 29.194 29.762 -0.047 0.000 1.380 419 H HN 0.725 nan 8.280 nan 0.000 0.513 420 D N 0.708 121.108 120.400 -0.000 0.000 2.328 420 D HA -0.036 4.598 4.640 -0.011 0.000 0.226 420 D C 0.564 176.832 176.300 -0.052 0.000 1.066 420 D CA 0.194 54.193 54.000 -0.002 0.000 0.861 420 D CB -0.050 40.784 40.800 0.056 0.000 0.912 420 D HN 0.297 nan 8.370 nan 0.000 0.521 421 K N -0.255 120.029 120.400 -0.195 0.000 2.706 421 K HA 0.171 4.485 4.320 -0.011 0.000 0.203 421 K C -0.587 175.725 176.600 -0.480 0.000 1.102 421 K CA -0.217 55.975 56.287 -0.158 0.000 1.058 421 K CB 1.418 33.944 32.500 0.042 0.000 0.779 421 K HN -0.101 nan 8.250 nan 0.000 0.483 422 T N 1.103 115.154 114.554 -0.838 0.000 2.786 422 T HA 0.542 4.886 4.350 -0.011 0.000 0.283 422 T C -0.878 173.325 174.700 -0.829 0.000 0.992 422 T CA -0.368 61.387 62.100 -0.575 0.000 0.954 422 T CB 0.516 69.232 68.868 -0.254 0.000 0.934 422 T HN -0.038 nan 8.240 nan 0.000 0.440 423 F N 1.204 121.314 119.950 0.266 0.000 2.565 423 F HA 0.572 5.093 4.527 -0.010 0.000 0.313 423 F C 0.309 176.236 175.800 0.211 0.000 1.091 423 F CA -1.461 56.667 58.000 0.214 0.000 0.915 423 F CB 1.757 40.871 39.000 0.191 0.000 1.208 423 F HN 0.326 nan 8.300 nan 0.000 0.453 424 R N 3.400 124.093 120.500 0.321 0.000 2.220 424 R HA 0.398 4.732 4.340 -0.011 0.000 0.340 424 R C -0.748 175.676 176.300 0.207 0.000 1.076 424 R CA -0.455 55.789 56.100 0.240 0.000 0.920 424 R CB 0.051 30.462 30.300 0.184 0.000 1.062 424 R HN 0.547 nan 8.270 nan 0.000 0.469 425 I N 4.707 125.405 120.570 0.215 0.000 2.668 425 I HA -0.068 4.096 4.170 -0.011 0.000 0.285 425 I C 0.907 177.078 176.117 0.090 0.000 1.168 425 I CA 0.749 62.139 61.300 0.151 0.000 1.424 425 I CB 0.843 38.969 38.000 0.210 0.000 1.377 425 I HN 0.869 nan 8.210 nan 0.000 0.560 426 E N 4.035 124.234 120.200 -0.001 0.000 2.389 426 E HA 0.291 4.635 4.350 -0.011 0.000 0.199 426 E C 0.268 176.871 176.600 0.005 0.000 0.978 426 E CA 0.141 56.541 56.400 0.000 0.000 0.912 426 E CB 0.711 30.392 29.700 -0.033 0.000 0.907 426 E HN 0.746 nan 8.360 nan 0.000 0.494 427 A N 1.110 123.925 122.820 -0.009 0.000 2.498 427 A HA 0.399 4.713 4.320 -0.011 0.000 0.298 427 A C -1.227 176.470 177.584 0.190 0.000 1.075 427 A CA -0.858 51.220 52.037 0.069 0.000 0.714 427 A CB 1.259 20.285 19.000 0.044 0.000 1.299 427 A HN -0.148 nan 8.150 nan 0.000 0.407 428 D N -0.149 120.337 120.400 0.144 0.000 2.378 428 D HA 0.529 5.163 4.640 -0.011 0.000 0.238 428 D C 0.920 177.299 176.300 0.132 0.000 1.180 428 D CA 1.874 55.953 54.000 0.131 0.000 0.895 428 D CB 1.043 41.891 40.800 0.081 0.000 1.192 428 D HN 1.151 nan 8.370 nan 0.000 0.438 429 G N -1.444 107.383 108.800 0.046 0.000 2.384 429 G HA2 0.344 4.297 3.960 -0.011 0.000 0.150 429 G HA3 0.344 4.297 3.960 -0.011 0.000 0.150 429 G C -1.327 173.485 174.900 -0.147 0.000 1.269 429 G CA -0.126 44.919 45.100 -0.090 0.000 1.094 429 G HN 0.999 nan 8.290 nan 0.000 0.467 430 V N -2.782 116.934 119.914 -0.330 0.000 3.012 430 V HA 0.884 4.998 4.120 -0.011 0.000 0.307 430 V C -0.668 175.216 176.094 -0.350 0.000 1.166 430 V CA -0.972 61.196 62.300 -0.220 0.000 0.974 430 V CB 1.479 33.230 31.823 -0.119 0.000 1.040 430 V HN 1.275 nan 8.190 nan 0.000 0.428 431 V N 4.167 123.944 119.914 -0.228 0.000 2.555 431 V HA 0.727 4.840 4.120 -0.011 0.000 0.302 431 V C -0.266 175.695 176.094 -0.223 0.000 1.038 431 V CA -0.191 61.884 62.300 -0.376 0.000 0.887 431 V CB 1.610 32.961 31.823 -0.787 0.000 0.991 431 V HN 1.197 nan 8.190 nan 0.000 0.434 432 Q N 3.063 122.729 119.800 -0.224 0.000 2.389 432 Q HA 0.782 5.116 4.340 -0.011 0.000 0.277 432 Q C -1.915 174.050 176.000 -0.058 0.000 1.082 432 Q CA -0.942 54.821 55.803 -0.067 0.000 0.810 432 Q CB 2.518 31.226 28.738 -0.050 0.000 1.374 432 Q HN 0.352 nan 8.270 nan 0.000 0.422 433 V N 2.247 122.198 119.914 0.061 0.000 2.318 433 V HA 0.278 4.392 4.120 -0.011 0.000 0.271 433 V C -0.314 175.811 176.094 0.052 0.000 1.030 433 V CA -0.631 61.719 62.300 0.084 0.000 0.844 433 V CB 1.130 33.066 31.823 0.189 0.000 1.015 433 V HN 0.626 nan 8.190 nan 0.000 0.460 434 V N 4.013 123.939 119.914 0.020 0.000 2.407 434 V HA 0.331 4.445 4.120 -0.011 0.000 0.278 434 V C 0.826 176.932 176.094 0.021 0.000 1.037 434 V CA -0.095 62.213 62.300 0.014 0.000 0.900 434 V CB 1.524 33.343 31.823 -0.006 0.000 0.983 434 V HN 0.872 nan 8.190 nan 0.000 0.459 435 S N 3.283 118.997 115.700 0.023 0.000 2.572 435 S HA -0.010 4.454 4.470 -0.011 0.000 0.267 435 S C 1.769 176.379 174.600 0.017 0.000 1.361 435 S CA 0.563 58.777 58.200 0.024 0.000 1.009 435 S CB 0.952 64.165 63.200 0.021 0.000 0.888 435 S HN 0.958 nan 8.310 nan 0.000 0.553 436 S N 1.698 117.409 115.700 0.017 0.000 2.419 436 S HA -0.151 4.313 4.470 -0.011 0.000 0.233 436 S C 1.436 176.042 174.600 0.009 0.000 1.016 436 S CA 1.858 60.066 58.200 0.013 0.000 0.974 436 S CB -0.816 62.393 63.200 0.015 0.000 0.786 436 S HN 0.870 nan 8.310 nan 0.000 0.492 437 N N -0.300 118.406 118.700 0.010 0.000 2.336 437 N HA 0.291 5.024 4.740 -0.011 0.000 0.189 437 N C 1.182 176.694 175.510 0.005 0.000 1.113 437 N CA 0.946 54.000 53.050 0.007 0.000 0.858 437 N CB -0.076 38.415 38.487 0.008 0.000 0.970 437 N HN 0.415 nan 8.380 nan 0.000 0.471 438 G N -0.656 108.147 108.800 0.005 0.000 2.278 438 G HA2 -0.250 3.704 3.960 -0.011 0.000 0.210 438 G HA3 -0.250 3.704 3.960 -0.011 0.000 0.210 438 G C -0.644 174.257 174.900 0.002 0.000 1.000 438 G CA -0.124 44.977 45.100 0.001 0.000 0.635 438 G HN 0.437 nan 8.290 nan 0.000 0.495 439 D N 0.373 120.777 120.400 0.006 0.000 2.449 439 D HA 0.379 5.012 4.640 -0.011 0.000 0.236 439 D C 0.537 176.844 176.300 0.011 0.000 1.149 439 D CA 0.369 54.374 54.000 0.008 0.000 0.878 439 D CB 1.490 42.297 40.800 0.011 0.000 1.198 439 D HN 0.160 nan 8.370 nan 0.000 0.446 440 V N 4.116 124.035 119.914 0.010 0.000 2.322 440 V HA 0.047 4.161 4.120 -0.011 0.000 0.258 440 V C 1.245 177.354 176.094 0.027 0.000 1.074 440 V CA -0.103 62.206 62.300 0.014 0.000 0.909 440 V CB 0.352 32.177 31.823 0.004 0.000 1.090 440 V HN 0.526 nan 8.190 nan 0.000 0.486 441 L N 4.992 126.240 121.223 0.042 0.000 2.005 441 L HA 0.110 4.443 4.340 -0.011 0.000 0.207 441 L C 0.506 177.418 176.870 0.071 0.000 1.072 441 L CA 1.611 56.483 54.840 0.054 0.000 0.744 441 L CB -0.056 42.043 42.059 0.066 0.000 0.895 441 L HN 0.416 nan 8.230 nan 0.000 0.433 442 I N -1.027 119.606 120.570 0.105 0.000 2.686 442 I HA 0.328 4.492 4.170 -0.011 0.000 0.295 442 I C -0.704 175.508 176.117 0.159 0.000 1.114 442 I CA -0.474 60.914 61.300 0.148 0.000 1.038 442 I CB 2.694 40.850 38.000 0.261 0.000 1.238 442 I HN -0.020 nan 8.210 nan 0.000 0.420 443 E N 4.084 124.343 120.200 0.099 0.000 2.304 443 E HA 0.512 4.855 4.350 -0.011 0.000 0.277 443 E C -1.817 174.777 176.600 -0.010 0.000 0.898 443 E CA -0.706 55.746 56.400 0.087 0.000 0.764 443 E CB 1.904 31.611 29.700 0.011 0.000 1.216 443 E HN 0.629 nan 8.360 nan 0.000 0.419 444 H N 1.137 120.297 119.070 0.150 0.000 2.637 444 H HA 0.309 4.858 4.556 -0.011 0.000 0.363 444 H C -1.142 174.245 175.328 0.099 0.000 1.131 444 H CA -0.659 55.496 56.048 0.179 0.000 1.183 444 H CB 1.513 31.494 29.762 0.365 0.000 1.637 444 H HN 0.334 nan 8.280 nan 0.000 0.531 445 D N 2.280 122.791 120.400 0.184 0.000 2.312 445 D HA 0.258 4.892 4.640 -0.011 0.000 0.252 445 D C -0.032 176.364 176.300 0.161 0.000 1.150 445 D CA -0.078 53.989 54.000 0.111 0.000 0.870 445 D CB 1.257 42.102 40.800 0.076 0.000 1.153 445 D HN 0.295 nan 8.370 nan 0.000 0.457 446 V N -0.449 119.538 119.914 0.121 0.000 3.046 446 V HA 0.705 4.819 4.120 -0.011 0.000 0.316 446 V C -0.401 175.774 176.094 0.134 0.000 1.104 446 V CA -0.814 61.582 62.300 0.160 0.000 1.006 446 V CB 2.603 34.544 31.823 0.197 0.000 1.058 446 V HN 0.388 nan 8.190 nan 0.000 0.440 447 E N 1.053 121.340 120.200 0.144 0.000 2.340 447 E HA 0.682 5.025 4.350 -0.011 0.000 0.273 447 E C -0.510 176.170 176.600 0.133 0.000 0.891 447 E CA -0.990 55.484 56.400 0.123 0.000 0.757 447 E CB 2.329 32.086 29.700 0.095 0.000 1.231 447 E HN 1.252 nan 8.360 nan 0.000 0.439 448 A N 2.578 125.468 122.820 0.118 0.000 2.603 448 A HA -0.049 4.265 4.320 -0.011 0.000 0.235 448 A C 0.552 178.208 177.584 0.119 0.000 1.035 448 A CA 0.516 52.618 52.037 0.108 0.000 0.755 448 A CB -0.225 18.825 19.000 0.085 0.000 0.954 448 A HN 0.862 nan 8.150 nan 0.000 0.511 449 N N -0.387 118.393 118.700 0.132 0.000 2.980 449 N HA -0.127 4.607 4.740 -0.011 0.000 0.219 449 N C -0.537 175.075 175.510 0.169 0.000 0.883 449 N CA 1.548 54.697 53.050 0.165 0.000 1.018 449 N CB -1.466 37.129 38.487 0.181 0.000 1.041 449 N HN 0.806 nan 8.380 nan 0.000 0.592 450 D N 0.889 121.381 120.400 0.153 0.000 2.357 450 D HA 0.378 5.011 4.640 -0.011 0.000 0.242 450 D C 0.841 177.259 176.300 0.196 0.000 1.153 450 D CA 0.135 54.220 54.000 0.142 0.000 0.918 450 D CB 0.807 41.704 40.800 0.163 0.000 1.181 450 D HN 0.156 nan 8.370 nan 0.000 0.435 451 I N 1.337 122.021 120.570 0.190 0.000 2.354 451 I HA 0.236 4.400 4.170 -0.011 0.000 0.286 451 I C -0.745 175.589 176.117 0.362 0.000 1.007 451 I CA -0.848 60.619 61.300 0.279 0.000 1.167 451 I CB 1.139 39.310 38.000 0.285 0.000 1.320 451 I HN 0.242 nan 8.210 nan 0.000 0.458 452 W N 8.203 129.622 121.300 0.198 0.000 2.469 452 W HA 0.584 5.239 4.660 -0.010 0.000 0.320 452 W C -0.393 176.176 176.519 0.082 0.000 1.086 452 W CA -0.525 56.911 57.345 0.151 0.000 1.211 452 W CB 1.100 30.673 29.460 0.188 0.000 1.298 452 W HN 0.369 nan 8.180 nan 0.000 0.525 453 R N 4.256 124.268 120.500 -0.813 0.000 2.725 453 R HA 0.789 5.123 4.340 -0.011 0.000 0.277 453 R C -1.635 173.970 176.300 -1.159 0.000 0.987 453 R CA -0.775 54.859 56.100 -0.776 0.000 0.901 453 R CB 1.771 31.654 30.300 -0.695 0.000 1.207 453 R HN 0.557 nan 8.270 nan 0.000 0.463 454 A N 2.772 125.181 122.820 -0.685 0.000 2.371 454 A HA 0.688 5.002 4.320 -0.011 0.000 0.311 454 A C -1.150 176.256 177.584 -0.298 0.000 1.068 454 A CA -0.583 51.187 52.037 -0.446 0.000 0.744 454 A CB 1.205 20.174 19.000 -0.053 0.000 1.239 454 A HN 0.761 nan 8.150 nan 0.000 0.435 455 C N 1.199 120.338 119.300 -0.269 0.000 2.707 455 C HA 0.885 5.338 4.460 -0.011 0.000 0.313 455 C C -0.498 174.405 174.990 -0.145 0.000 1.209 455 C CA -0.447 58.421 59.018 -0.250 0.000 1.635 455 C CB 1.739 29.263 27.740 -0.359 0.000 2.206 455 C HN 0.968 nan 8.230 nan 0.000 0.485 456 Q N 0.828 120.556 119.800 -0.119 0.000 2.340 456 Q HA 0.834 5.168 4.340 -0.011 0.000 0.276 456 Q C -2.073 173.899 176.000 -0.047 0.000 1.048 456 Q CA -0.599 55.175 55.803 -0.048 0.000 0.832 456 Q CB 2.190 30.915 28.738 -0.021 0.000 1.373 456 Q HN 0.541 nan 8.270 nan 0.000 0.409 457 V N 1.769 121.681 119.914 -0.004 0.000 2.733 457 V HA 0.478 4.592 4.120 -0.011 0.000 0.306 457 V C -1.374 174.722 176.094 0.003 0.000 1.084 457 V CA -0.538 61.752 62.300 -0.017 0.000 0.905 457 V CB 2.288 34.100 31.823 -0.018 0.000 1.010 457 V HN 0.836 nan 8.190 nan 0.000 0.424 458 K N 3.420 123.816 120.400 -0.006 0.000 2.107 458 K HA 0.299 4.613 4.320 -0.011 0.000 0.251 458 K C 0.659 177.273 176.600 0.023 0.000 1.012 458 K CA 0.210 56.503 56.287 0.010 0.000 0.920 458 K CB 0.953 33.454 32.500 0.002 0.000 1.033 458 K HN 0.846 nan 8.250 nan 0.000 0.478 459 D N 0.864 121.287 120.400 0.039 0.000 2.117 459 D HA -0.134 4.500 4.640 -0.011 0.000 0.198 459 D C 1.658 177.961 176.300 0.006 0.000 0.982 459 D CA 1.502 55.538 54.000 0.061 0.000 0.828 459 D CB 0.164 41.014 40.800 0.084 0.000 0.967 459 D HN 0.580 nan 8.370 nan 0.000 0.464 460 A N 0.764 123.577 122.820 -0.012 0.000 1.883 460 A HA -0.075 4.239 4.320 -0.011 0.000 0.217 460 A C -0.058 177.518 177.584 -0.013 0.000 1.186 460 A CA 1.449 53.466 52.037 -0.034 0.000 0.624 460 A CB -1.674 17.315 19.000 -0.019 0.000 0.822 460 A HN 0.280 nan 8.150 nan 0.000 0.444 461 P HA -0.149 nan 4.420 nan 0.000 0.216 461 P C 1.340 178.685 177.300 0.075 0.000 1.150 461 P CA 1.043 64.151 63.100 0.014 0.000 0.843 461 P CB -0.116 31.569 31.700 -0.024 0.000 0.787 462 I N -0.990 119.631 120.570 0.086 0.000 2.252 462 I HA -0.261 3.903 4.170 -0.011 0.000 0.245 462 I C 2.466 178.742 176.117 0.265 0.000 1.102 462 I CA 1.493 62.938 61.300 0.241 0.000 1.385 462 I CB -0.668 37.477 38.000 0.242 0.000 1.064 462 I HN 0.001 nan 8.210 nan 0.000 0.414 463 Q N 0.235 120.017 119.800 -0.030 0.000 2.124 463 Q HA -0.274 4.060 4.340 -0.011 0.000 0.202 463 Q C 1.745 177.761 176.000 0.028 0.000 0.977 463 Q CA 2.040 57.712 55.803 -0.218 0.000 0.850 463 Q CB -0.221 28.222 28.738 -0.492 0.000 0.901 463 Q HN 0.505 nan 8.270 nan 0.000 0.429 464 D N -0.282 120.159 120.400 0.067 0.000 2.144 464 D HA -0.187 4.446 4.640 -0.011 0.000 0.200 464 D C 1.546 177.950 176.300 0.173 0.000 0.978 464 D CA 0.938 54.996 54.000 0.097 0.000 0.833 464 D CB -0.109 40.733 40.800 0.070 0.000 0.961 464 D HN 0.306 nan 8.370 nan 0.000 0.470 465 W N 0.554 121.865 121.300 0.018 0.000 2.355 465 W HA -0.158 4.495 4.660 -0.012 0.000 0.309 465 W C 1.906 178.474 176.519 0.081 0.000 1.206 465 W CA 1.279 58.646 57.345 0.037 0.000 1.284 465 W CB -0.643 28.856 29.460 0.064 0.000 1.145 465 W HN -0.113 nan 8.180 nan 0.000 0.502 466 V N 1.422 121.429 119.914 0.155 0.000 2.407 466 V HA -0.312 3.801 4.120 -0.011 0.000 0.248 466 V C 2.471 178.494 176.094 -0.119 0.000 1.055 466 V CA 2.392 64.709 62.300 0.028 0.000 1.049 466 V CB -1.067 30.872 31.823 0.194 0.000 0.662 466 V HN 0.239 nan 8.190 nan 0.000 0.455 467 K N -0.076 120.275 120.400 -0.082 0.000 2.057 467 K HA -0.208 4.106 4.320 -0.011 0.000 0.207 467 K C 2.157 178.646 176.600 -0.185 0.000 1.049 467 K CA 1.609 57.747 56.287 -0.248 0.000 0.931 467 K CB -0.263 32.269 32.500 0.054 0.000 0.714 467 K HN 0.325 nan 8.250 nan 0.000 0.440 468 L N 1.110 122.282 121.223 -0.084 0.000 2.083 468 L HA -0.095 4.239 4.340 -0.011 0.000 0.209 468 L C 2.172 178.954 176.870 -0.147 0.000 1.083 468 L CA 2.084 56.880 54.840 -0.073 0.000 0.752 468 L CB -0.837 41.216 42.059 -0.009 0.000 0.899 468 L HN 0.262 nan 8.230 nan 0.000 0.433 469 A N -1.109 121.565 122.820 -0.243 0.000 1.877 469 A HA -0.158 4.156 4.320 -0.011 0.000 0.216 469 A C 2.263 179.716 177.584 -0.218 0.000 1.186 469 A CA 2.119 53.961 52.037 -0.324 0.000 0.620 469 A CB -1.152 17.514 19.000 -0.557 0.000 0.822 469 A HN 0.295 nan 8.150 nan 0.000 0.443 470 V N -0.184 119.604 119.914 -0.211 0.000 2.332 470 V HA -0.246 3.867 4.120 -0.011 0.000 0.248 470 V C 2.741 178.761 176.094 -0.123 0.000 1.055 470 V CA 2.507 64.701 62.300 -0.176 0.000 1.038 470 V CB -1.369 30.267 31.823 -0.312 0.000 0.651 470 V HN 0.616 nan 8.190 nan 0.000 0.450 471 T N -0.387 114.093 114.554 -0.123 0.000 2.708 471 T HA -0.173 4.170 4.350 -0.011 0.000 0.266 471 T C 2.154 176.824 174.700 -0.049 0.000 1.037 471 T CA 1.231 63.293 62.100 -0.062 0.000 1.146 471 T CB -0.237 68.607 68.868 -0.039 0.000 0.865 471 T HN 0.253 nan 8.240 nan 0.000 0.435 472 R N 0.973 121.432 120.500 -0.069 0.000 2.075 472 R HA 0.096 4.430 4.340 -0.011 0.000 0.232 472 R C 2.858 179.122 176.300 -0.060 0.000 1.126 472 R CA 0.977 57.041 56.100 -0.060 0.000 0.963 472 R CB -1.302 28.949 30.300 -0.082 0.000 0.858 472 R HN 0.342 nan 8.270 nan 0.000 0.435 473 S N 0.557 116.211 115.700 -0.076 0.000 2.368 473 S HA -0.155 4.309 4.470 -0.011 0.000 0.224 473 S C 2.013 176.591 174.600 -0.037 0.000 1.029 473 S CA 1.378 59.542 58.200 -0.060 0.000 0.988 473 S CB 0.011 63.172 63.200 -0.065 0.000 0.838 473 S HN 0.170 nan 8.310 nan 0.000 0.462 474 R N 1.072 121.552 120.500 -0.033 0.000 2.070 474 R HA 0.123 4.456 4.340 -0.011 0.000 0.233 474 R C 2.209 178.503 176.300 -0.010 0.000 1.137 474 R CA 1.759 57.848 56.100 -0.017 0.000 0.945 474 R CB -0.923 29.369 30.300 -0.013 0.000 0.845 474 R HN 0.474 nan 8.270 nan 0.000 0.430 475 L N 0.236 121.453 121.223 -0.010 0.000 2.093 475 L HA -0.086 4.247 4.340 -0.011 0.000 0.208 475 L C 2.348 179.216 176.870 -0.003 0.000 1.085 475 L CA 1.626 56.465 54.840 -0.001 0.000 0.755 475 L CB -0.434 41.629 42.059 0.006 0.000 0.904 475 L HN 0.415 nan 8.230 nan 0.000 0.435 476 S N -1.195 114.498 115.700 -0.012 0.000 2.470 476 S HA 0.112 4.576 4.470 -0.011 0.000 0.222 476 S C 1.645 176.237 174.600 -0.013 0.000 1.024 476 S CA 0.487 58.679 58.200 -0.012 0.000 0.931 476 S CB 0.513 63.700 63.200 -0.021 0.000 0.791 476 S HN 0.491 nan 8.310 nan 0.000 0.513 477 G N 1.204 109.995 108.800 -0.016 0.000 2.159 477 G HA2 -0.252 3.701 3.960 -0.011 0.000 0.256 477 G HA3 -0.252 3.701 3.960 -0.011 0.000 0.256 477 G C -0.025 174.864 174.900 -0.018 0.000 0.977 477 G CA 0.471 45.563 45.100 -0.013 0.000 0.652 477 G HN 0.535 nan 8.290 nan 0.000 0.531 478 M N 2.186 121.771 119.600 -0.026 0.000 2.233 478 M HA 0.366 4.839 4.480 -0.011 0.000 0.355 478 M C -1.850 174.428 176.300 -0.037 0.000 1.191 478 M CA -1.913 53.368 55.300 -0.032 0.000 1.101 478 M CB 1.217 33.791 32.600 -0.043 0.000 1.592 478 M HN -0.025 nan 8.290 nan 0.000 0.461 479 P HA 0.218 nan 4.420 nan 0.000 0.271 479 P C -1.377 175.898 177.300 -0.042 0.000 1.218 479 P CA -0.256 62.828 63.100 -0.026 0.000 0.780 479 P CB 0.738 32.430 31.700 -0.014 0.000 0.901 480 A N 2.699 125.492 122.820 -0.046 0.000 2.337 480 A HA 0.627 4.941 4.320 -0.011 0.000 0.329 480 A C -0.783 176.781 177.584 -0.033 0.000 1.146 480 A CA -0.668 51.314 52.037 -0.092 0.000 0.800 480 A CB 1.181 20.075 19.000 -0.177 0.000 1.220 480 A HN 0.329 nan 8.150 nan 0.000 0.472 481 V N 2.176 122.080 119.914 -0.017 0.000 2.483 481 V HA 0.379 4.493 4.120 -0.011 0.000 0.297 481 V C -1.154 175.048 176.094 0.180 0.000 1.027 481 V CA -0.335 62.036 62.300 0.118 0.000 0.855 481 V CB 1.200 33.112 31.823 0.148 0.000 0.995 481 V HN 0.735 nan 8.190 nan 0.000 0.424 482 F N 3.366 123.397 119.950 0.135 0.000 2.445 482 F HA 0.384 4.905 4.527 -0.011 0.000 0.359 482 F C -0.096 175.913 175.800 0.348 0.000 1.101 482 F CA -0.227 57.878 58.000 0.176 0.000 1.177 482 F CB 0.863 39.877 39.000 0.023 0.000 1.110 482 F HN 0.483 nan 8.300 nan 0.000 0.522 483 W N 6.639 128.061 121.300 0.203 0.000 2.422 483 W HA 0.546 5.201 4.660 -0.008 0.000 0.349 483 W C -0.956 175.687 176.519 0.206 0.000 1.062 483 W CA -0.886 56.557 57.345 0.164 0.000 1.497 483 W CB -0.020 29.512 29.460 0.120 0.000 1.407 483 W HN 0.202 nan 8.180 nan 0.000 0.393 484 L N 3.207 124.625 121.223 0.325 0.000 2.406 484 L HA 0.255 4.589 4.340 -0.011 0.000 0.272 484 L C -0.208 176.743 176.870 0.136 0.000 0.980 484 L CA -0.935 54.050 54.840 0.241 0.000 0.831 484 L CB 1.977 44.166 42.059 0.218 0.000 1.253 484 L HN -0.015 nan 8.230 nan 0.000 0.406 485 D N 4.777 125.247 120.400 0.115 0.000 2.325 485 D HA 0.188 4.822 4.640 -0.011 0.000 0.251 485 D C -1.720 174.592 176.300 0.019 0.000 1.196 485 D CA -1.853 52.177 54.000 0.050 0.000 0.866 485 D CB 1.847 42.664 40.800 0.028 0.000 1.101 485 D HN 0.187 nan 8.370 nan 0.000 0.476 486 P HA -0.087 nan 4.420 nan 0.000 0.221 486 P C 0.509 177.799 177.300 -0.017 0.000 1.145 486 P CA 0.907 64.004 63.100 -0.005 0.000 0.795 486 P CB 0.292 31.987 31.700 -0.007 0.000 0.775 487 E N -1.068 119.109 120.200 -0.037 0.000 2.502 487 E HA 0.024 4.368 4.350 -0.011 0.000 0.194 487 E C 0.442 176.988 176.600 -0.090 0.000 1.062 487 E CA 0.135 56.492 56.400 -0.071 0.000 0.867 487 E CB 0.064 29.690 29.700 -0.123 0.000 0.888 487 E HN 0.296 nan 8.360 nan 0.000 0.510 488 R N -0.285 120.185 120.500 -0.051 0.000 2.445 488 R HA 0.376 4.710 4.340 -0.011 0.000 0.308 488 R C 0.593 176.899 176.300 0.010 0.000 0.961 488 R CA -0.219 55.863 56.100 -0.030 0.000 0.862 488 R CB 1.493 31.787 30.300 -0.010 0.000 1.144 488 R HN -0.032 nan 8.270 nan 0.000 0.447 489 A N 1.998 124.831 122.820 0.023 0.000 1.902 489 A HA -0.249 4.065 4.320 -0.011 0.000 0.217 489 A C 1.900 179.510 177.584 0.044 0.000 1.181 489 A CA 1.812 53.868 52.037 0.031 0.000 0.623 489 A CB -0.577 18.449 19.000 0.045 0.000 0.818 489 A HN 0.912 nan 8.150 nan 0.000 0.443 490 H N 0.143 119.199 119.070 -0.023 0.000 2.293 490 H HA -0.134 4.415 4.556 -0.011 0.000 0.300 490 H C 1.511 176.838 175.328 -0.002 0.000 1.082 490 H CA 2.204 58.238 56.048 -0.024 0.000 1.308 490 H CB -0.209 29.523 29.762 -0.052 0.000 1.375 490 H HN 0.409 nan 8.280 nan 0.000 0.495 491 D N -0.235 120.177 120.400 0.020 0.000 2.178 491 D HA -0.095 4.539 4.640 -0.011 0.000 0.201 491 D C 2.258 178.542 176.300 -0.027 0.000 0.980 491 D CA 0.911 54.914 54.000 0.004 0.000 0.842 491 D CB -0.135 40.720 40.800 0.092 0.000 0.948 491 D HN 0.380 nan 8.370 nan 0.000 0.472 492 R N 0.222 120.706 120.500 -0.025 0.000 2.092 492 R HA -0.033 4.301 4.340 -0.011 0.000 0.231 492 R C 1.743 178.010 176.300 -0.055 0.000 1.119 492 R CA 0.741 56.823 56.100 -0.029 0.000 0.970 492 R CB -0.127 30.162 30.300 -0.019 0.000 0.864 492 R HN 0.172 nan 8.270 nan 0.000 0.440 493 N N 0.855 119.503 118.700 -0.086 0.000 2.106 493 N HA -0.090 4.644 4.740 -0.011 0.000 0.188 493 N C 1.873 177.320 175.510 -0.106 0.000 1.029 493 N CA 1.032 54.023 53.050 -0.099 0.000 0.848 493 N CB -0.163 38.253 38.487 -0.118 0.000 1.007 493 N HN 0.168 nan 8.380 nan 0.000 0.423 494 L N 0.600 121.735 121.223 -0.147 0.000 2.083 494 L HA -0.086 4.248 4.340 -0.011 0.000 0.209 494 L C 2.356 179.231 176.870 0.008 0.000 1.083 494 L CA 0.956 55.769 54.840 -0.044 0.000 0.752 494 L CB -0.535 41.510 42.059 -0.023 0.000 0.899 494 L HN 0.110 nan 8.230 nan 0.000 0.433 495 A N 0.425 123.233 122.820 -0.020 0.000 1.908 495 A HA -0.253 4.061 4.320 -0.011 0.000 0.218 495 A C 2.539 180.060 177.584 -0.106 0.000 1.181 495 A CA 2.229 54.233 52.037 -0.056 0.000 0.627 495 A CB -0.689 18.289 19.000 -0.036 0.000 0.818 495 A HN 0.546 nan 8.150 nan 0.000 0.445 496 S N -0.251 115.392 115.700 -0.095 0.000 2.402 496 S HA -0.031 4.433 4.470 -0.011 0.000 0.229 496 S C 1.867 176.360 174.600 -0.178 0.000 1.021 496 S CA 1.325 59.452 58.200 -0.121 0.000 0.974 496 S CB -0.629 62.512 63.200 -0.098 0.000 0.800 496 S HN 0.445 nan 8.310 nan 0.000 0.484 497 L N 0.907 122.034 121.223 -0.161 0.000 2.109 497 L HA 0.018 4.352 4.340 -0.011 0.000 0.207 497 L C 2.689 179.409 176.870 -0.250 0.000 1.086 497 L CA 0.665 55.346 54.840 -0.264 0.000 0.760 497 L CB -0.548 41.487 42.059 -0.039 0.000 0.910 497 L HN 0.240 nan 8.230 nan 0.000 0.437 498 V N 0.060 119.894 119.914 -0.133 0.000 2.307 498 V HA -0.297 3.817 4.120 -0.011 0.000 0.245 498 V C 2.466 178.400 176.094 -0.267 0.000 1.045 498 V CA 2.023 64.178 62.300 -0.242 0.000 1.024 498 V CB -0.375 31.096 31.823 -0.586 0.000 0.651 498 V HN 0.501 nan 8.190 nan 0.000 0.449 499 E N 0.277 120.329 120.200 -0.247 0.000 2.110 499 E HA -0.287 4.056 4.350 -0.011 0.000 0.193 499 E C 2.296 178.798 176.600 -0.164 0.000 0.988 499 E CA 1.640 57.927 56.400 -0.188 0.000 0.804 499 E CB -0.102 29.506 29.700 -0.153 0.000 0.745 499 E HN 0.580 nan 8.360 nan 0.000 0.458 500 K N -0.362 119.891 120.400 -0.245 0.000 2.001 500 K HA -0.164 4.150 4.320 -0.011 0.000 0.208 500 K C 1.878 178.357 176.600 -0.202 0.000 1.048 500 K CA 1.516 57.627 56.287 -0.292 0.000 0.932 500 K CB -0.251 31.942 32.500 -0.511 0.000 0.715 500 K HN 0.278 nan 8.250 nan 0.000 0.437 501 Y N 0.851 121.141 120.300 -0.015 0.000 2.439 501 Y HA -0.084 4.459 4.550 -0.011 0.000 0.292 501 Y C 2.083 178.037 175.900 0.089 0.000 1.130 501 Y CA 0.072 58.187 58.100 0.026 0.000 1.254 501 Y CB 0.085 38.590 38.460 0.076 0.000 1.000 501 Y HN 0.023 nan 8.280 nan 0.000 0.554 502 L N -0.494 120.834 121.223 0.175 0.000 2.191 502 L HA -0.221 4.112 4.340 -0.011 0.000 0.212 502 L C 2.621 179.583 176.870 0.152 0.000 1.103 502 L CA 0.830 55.782 54.840 0.187 0.000 0.769 502 L CB -0.503 41.571 42.059 0.025 0.000 0.908 502 L HN 0.240 nan 8.230 nan 0.000 0.438 503 A N -0.599 122.260 122.820 0.064 0.000 2.070 503 A HA -0.191 4.123 4.320 -0.011 0.000 0.220 503 A C 1.676 179.257 177.584 -0.004 0.000 1.159 503 A CA 1.520 53.571 52.037 0.023 0.000 0.656 503 A CB -0.337 18.659 19.000 -0.007 0.000 0.800 503 A HN 0.346 nan 8.150 nan 0.000 0.453 504 D N -0.494 119.873 120.400 -0.055 0.000 2.363 504 D HA 0.023 4.656 4.640 -0.011 0.000 0.220 504 D C 0.199 176.277 176.300 -0.371 0.000 0.994 504 D CA 0.557 54.425 54.000 -0.221 0.000 0.890 504 D CB -0.071 40.544 40.800 -0.309 0.000 0.906 504 D HN 0.568 nan 8.370 nan 0.000 0.530 505 H N -0.124 118.969 119.070 0.038 0.000 2.670 505 H HA 0.231 4.780 4.556 -0.010 0.000 0.361 505 H C -0.623 174.717 175.328 0.020 0.000 1.169 505 H CA -0.706 55.358 56.048 0.028 0.000 1.198 505 H CB 1.563 31.344 29.762 0.031 0.000 1.700 505 H HN -0.147 nan 8.280 nan 0.000 0.542 506 D N 1.189 121.680 120.400 0.151 0.000 2.365 506 D HA 0.047 4.681 4.640 -0.011 0.000 0.237 506 D C 0.652 176.998 176.300 0.076 0.000 1.190 506 D CA -0.242 53.808 54.000 0.083 0.000 0.867 506 D CB 0.501 41.337 40.800 0.059 0.000 1.050 506 D HN 0.622 nan 8.370 nan 0.000 0.491 507 T N 0.414 115.005 114.554 0.063 0.000 3.129 507 T HA 0.141 4.484 4.350 -0.011 0.000 0.267 507 T C 0.623 175.340 174.700 0.028 0.000 1.018 507 T CA -0.674 61.453 62.100 0.045 0.000 0.903 507 T CB -0.056 68.841 68.868 0.050 0.000 1.067 507 T HN 0.259 nan 8.240 nan 0.000 0.549 508 E N 1.707 121.922 120.200 0.025 0.000 2.417 508 E HA 0.399 4.743 4.350 -0.011 0.000 0.261 508 E C 1.441 178.049 176.600 0.013 0.000 1.000 508 E CA 1.161 57.572 56.400 0.017 0.000 0.919 508 E CB -0.343 29.366 29.700 0.016 0.000 0.955 508 E HN 0.451 nan 8.360 nan 0.000 0.455 509 G N 3.605 112.411 108.800 0.010 0.000 2.199 509 G HA2 -0.247 3.707 3.960 -0.011 0.000 0.254 509 G HA3 -0.247 3.707 3.960 -0.011 0.000 0.254 509 G C 0.027 174.930 174.900 0.005 0.000 0.982 509 G CA 0.271 45.375 45.100 0.007 0.000 0.632 509 G HN 0.464 nan 8.290 nan 0.000 0.529 510 L N 0.737 121.964 121.223 0.008 0.000 2.334 510 L HA 0.576 4.910 4.340 -0.011 0.000 0.275 510 L C -0.443 176.432 176.870 0.007 0.000 1.036 510 L CA -0.886 53.956 54.840 0.005 0.000 0.807 510 L CB 1.531 43.593 42.059 0.005 0.000 1.231 510 L HN 0.069 nan 8.230 nan 0.000 0.438 511 D N 3.851 124.253 120.400 0.004 0.000 2.485 511 D HA 0.457 5.090 4.640 -0.011 0.000 0.229 511 D C -0.741 175.568 176.300 0.015 0.000 1.101 511 D CA -0.118 53.886 54.000 0.007 0.000 0.906 511 D CB 0.376 41.177 40.800 0.001 0.000 1.019 511 D HN 0.259 nan 8.370 nan 0.000 0.516 512 I N 2.997 123.587 120.570 0.034 0.000 2.569 512 I HA 0.389 4.552 4.170 -0.011 0.000 0.296 512 I C 0.014 176.183 176.117 0.086 0.000 1.028 512 I CA -0.746 60.598 61.300 0.073 0.000 1.082 512 I CB 1.978 40.041 38.000 0.106 0.000 1.264 512 I HN 0.340 nan 8.210 nan 0.000 0.429 513 Q N 5.512 125.392 119.800 0.134 0.000 2.685 513 Q HA 0.681 5.014 4.340 -0.011 0.000 0.301 513 Q C -1.854 174.252 176.000 0.177 0.000 0.924 513 Q CA -0.983 54.883 55.803 0.105 0.000 0.755 513 Q CB 2.629 31.398 28.738 0.051 0.000 1.470 513 Q HN 0.550 nan 8.270 nan 0.000 0.434 514 I N 1.459 122.088 120.570 0.099 0.000 2.436 514 I HA 0.541 4.705 4.170 -0.011 0.000 0.289 514 I C -0.876 175.274 176.117 0.055 0.000 1.010 514 I CA -0.829 60.542 61.300 0.118 0.000 1.098 514 I CB 1.598 39.622 38.000 0.040 0.000 1.266 514 I HN 0.461 nan 8.210 nan 0.000 0.434 515 L N 3.945 125.195 121.223 0.045 0.000 2.376 515 L HA 0.471 4.805 4.340 -0.011 0.000 0.258 515 L C 0.181 177.020 176.870 -0.051 0.000 1.013 515 L CA -0.809 54.006 54.840 -0.041 0.000 0.822 515 L CB 2.513 44.497 42.059 -0.124 0.000 1.388 515 L HN 0.664 nan 8.230 nan 0.000 0.413 516 S N 0.026 115.685 115.700 -0.068 0.000 2.584 516 S HA 0.211 4.674 4.470 -0.011 0.000 0.270 516 S C -2.062 172.457 174.600 -0.135 0.000 1.346 516 S CA -0.824 57.349 58.200 -0.044 0.000 1.018 516 S CB 0.910 64.086 63.200 -0.040 0.000 0.899 516 S HN 0.423 nan 8.310 nan 0.000 0.542 517 P HA -0.113 nan 4.420 nan 0.000 0.216 517 P C 1.529 178.655 177.300 -0.290 0.000 1.150 517 P CA 0.764 63.820 63.100 -0.074 0.000 0.843 517 P CB -0.079 31.763 31.700 0.237 0.000 0.787 518 V N 0.052 119.882 119.914 -0.140 0.000 2.307 518 V HA -0.203 3.911 4.120 -0.011 0.000 0.245 518 V C 2.372 178.352 176.094 -0.190 0.000 1.045 518 V CA 1.796 64.020 62.300 -0.127 0.000 1.024 518 V CB -1.015 30.778 31.823 -0.049 0.000 0.651 518 V HN 0.112 nan 8.190 nan 0.000 0.449 519 E N 0.265 120.352 120.200 -0.190 0.000 2.150 519 E HA -0.141 4.202 4.350 -0.011 0.000 0.193 519 E C 2.305 178.735 176.600 -0.283 0.000 0.985 519 E CA 1.409 57.701 56.400 -0.180 0.000 0.814 519 E CB -0.472 29.149 29.700 -0.131 0.000 0.752 519 E HN 0.572 nan 8.360 nan 0.000 0.466 520 A N 0.705 123.219 122.820 -0.510 0.000 1.898 520 A HA -0.127 4.187 4.320 -0.011 0.000 0.216 520 A C 2.438 179.571 177.584 -0.752 0.000 1.181 520 A CA 1.892 53.443 52.037 -0.810 0.000 0.620 520 A CB -0.773 17.200 19.000 -1.713 0.000 0.819 520 A HN 0.222 nan 8.150 nan 0.000 0.442 521 T N -0.498 113.608 114.554 -0.747 0.000 2.708 521 T HA -0.169 4.175 4.350 -0.011 0.000 0.266 521 T C 2.120 176.792 174.700 -0.048 0.000 1.037 521 T CA 1.755 63.705 62.100 -0.251 0.000 1.146 521 T CB -0.252 68.569 68.868 -0.079 0.000 0.865 521 T HN 0.542 nan 8.240 nan 0.000 0.435 522 Q N 0.785 120.529 119.800 -0.093 0.000 2.061 522 Q HA -0.087 4.247 4.340 -0.011 0.000 0.204 522 Q C 2.148 178.137 176.000 -0.018 0.000 0.984 522 Q CA 1.359 57.143 55.803 -0.032 0.000 0.846 522 Q CB -0.769 27.937 28.738 -0.052 0.000 0.902 522 Q HN 0.434 nan 8.270 nan 0.000 0.421 523 L N -0.182 121.004 121.223 -0.062 0.000 2.017 523 L HA -0.136 4.198 4.340 -0.011 0.000 0.208 523 L C 2.108 178.975 176.870 -0.005 0.000 1.073 523 L CA 2.296 57.113 54.840 -0.039 0.000 0.745 523 L CB -1.026 40.993 42.059 -0.067 0.000 0.894 523 L HN 0.178 nan 8.230 nan 0.000 0.432 524 S N 0.139 115.838 115.700 -0.002 0.000 2.370 524 S HA -0.171 4.293 4.470 -0.011 0.000 0.226 524 S C 1.937 176.583 174.600 0.075 0.000 1.033 524 S CA 1.852 60.067 58.200 0.024 0.000 1.011 524 S CB -0.654 62.573 63.200 0.045 0.000 0.852 524 S HN 0.723 nan 8.310 nan 0.000 0.457 525 I N -0.525 120.139 120.570 0.157 0.000 2.617 525 I HA -0.012 4.152 4.170 -0.011 0.000 0.256 525 I C 1.409 177.641 176.117 0.191 0.000 1.167 525 I CA 1.135 62.586 61.300 0.251 0.000 1.469 525 I CB -0.402 37.819 38.000 0.369 0.000 1.098 525 I HN -0.037 nan 8.210 nan 0.000 0.436 526 D N 2.064 122.525 120.400 0.102 0.000 2.097 526 D HA -0.115 4.519 4.640 -0.011 0.000 0.197 526 D C 2.393 178.730 176.300 0.061 0.000 0.984 526 D CA 1.361 55.398 54.000 0.062 0.000 0.826 526 D CB -0.118 40.697 40.800 0.025 0.000 0.973 526 D HN 0.403 nan 8.370 nan 0.000 0.460 527 R N 0.176 120.705 120.500 0.049 0.000 2.075 527 R HA 0.048 4.381 4.340 -0.011 0.000 0.232 527 R C 2.545 178.875 176.300 0.050 0.000 1.126 527 R CA 0.384 56.505 56.100 0.034 0.000 0.963 527 R CB -0.274 30.034 30.300 0.013 0.000 0.858 527 R HN 0.185 nan 8.270 nan 0.000 0.435 528 I N 0.962 121.575 120.570 0.071 0.000 2.264 528 I HA -0.315 3.848 4.170 -0.011 0.000 0.248 528 I C 2.127 178.322 176.117 0.130 0.000 1.111 528 I CA 1.425 62.774 61.300 0.082 0.000 1.382 528 I CB 0.018 38.065 38.000 0.078 0.000 1.060 528 I HN 0.162 nan 8.210 nan 0.000 0.418 529 R N 0.403 121.006 120.500 0.172 0.000 2.148 529 R HA -0.120 4.213 4.340 -0.011 0.000 0.227 529 R C 1.533 177.882 176.300 0.081 0.000 1.103 529 R CA 1.013 57.206 56.100 0.155 0.000 0.983 529 R CB -0.188 30.184 30.300 0.121 0.000 0.874 529 R HN 0.478 nan 8.270 nan 0.000 0.451 530 R N -0.373 120.162 120.500 0.060 0.000 2.586 530 R HA 0.199 4.533 4.340 -0.011 0.000 0.306 530 R C 0.466 176.785 176.300 0.031 0.000 1.079 530 R CA 0.515 56.636 56.100 0.036 0.000 1.083 530 R CB 0.288 30.602 30.300 0.024 0.000 1.306 530 R HN 0.116 nan 8.270 nan 0.000 0.567 531 G N 0.608 109.432 108.800 0.041 0.000 2.168 531 G HA2 -0.260 3.693 3.960 -0.011 0.000 0.257 531 G HA3 -0.260 3.693 3.960 -0.011 0.000 0.257 531 G C -0.307 174.605 174.900 0.020 0.000 0.997 531 G CA 0.379 45.498 45.100 0.031 0.000 0.708 531 G HN 0.468 nan 8.290 nan 0.000 0.520 532 E N 0.646 120.856 120.200 0.018 0.000 2.232 532 E HA 0.537 4.881 4.350 -0.011 0.000 0.265 532 E C -0.367 176.230 176.600 -0.005 0.000 1.001 532 E CA -0.592 55.811 56.400 0.006 0.000 0.870 532 E CB 1.106 30.809 29.700 0.005 0.000 1.175 532 E HN 0.362 nan 8.360 nan 0.000 0.407 533 D N 0.448 120.838 120.400 -0.017 0.000 2.269 533 D HA 0.506 5.140 4.640 -0.011 0.000 0.244 533 D C -0.653 175.619 176.300 -0.047 0.000 0.992 533 D CA -0.394 53.583 54.000 -0.038 0.000 0.894 533 D CB 1.839 42.618 40.800 -0.036 0.000 1.248 533 D HN 0.152 nan 8.370 nan 0.000 0.468 534 T N 0.647 115.156 114.554 -0.075 0.000 3.109 534 T HA 0.371 4.715 4.350 -0.011 0.000 0.311 534 T C 0.282 174.920 174.700 -0.103 0.000 1.011 534 T CA -0.558 61.501 62.100 -0.068 0.000 1.026 534 T CB 0.940 69.782 68.868 -0.044 0.000 1.047 534 T HN 0.187 nan 8.240 nan 0.000 0.448 535 I N 3.271 123.784 120.570 -0.095 0.000 2.441 535 I HA 0.279 4.442 4.170 -0.011 0.000 0.287 535 I C 0.874 176.912 176.117 -0.131 0.000 1.049 535 I CA -0.270 60.947 61.300 -0.138 0.000 1.381 535 I CB 0.952 38.862 38.000 -0.151 0.000 1.409 535 I HN 0.690 nan 8.210 nan 0.000 0.523 536 S N 6.169 121.737 115.700 -0.221 0.000 2.438 536 S HA 0.534 4.998 4.470 -0.011 0.000 0.293 536 S C -0.562 173.790 174.600 -0.414 0.000 1.141 536 S CA -0.779 57.218 58.200 -0.337 0.000 1.080 536 S CB 1.242 63.984 63.200 -0.763 0.000 0.978 536 S HN 0.314 nan 8.310 nan 0.000 0.479 537 V N 4.498 124.187 119.914 -0.374 0.000 2.328 537 V HA 0.636 4.750 4.120 -0.011 0.000 0.278 537 V C 0.620 176.686 176.094 -0.046 0.000 1.021 537 V CA -0.217 61.844 62.300 -0.398 0.000 0.838 537 V CB 0.389 31.531 31.823 -1.135 0.000 0.999 537 V HN 1.140 nan 8.190 nan 0.000 0.447 538 T N 1.762 116.400 114.554 0.140 0.000 2.804 538 T HA 0.796 5.139 4.350 -0.011 0.000 0.290 538 T C 0.357 175.135 174.700 0.130 0.000 1.099 538 T CA -0.150 62.049 62.100 0.164 0.000 1.011 538 T CB 1.746 70.478 68.868 -0.226 0.000 1.291 538 T HN 0.723 nan 8.240 nan 0.000 0.523 539 G N 0.117 108.888 108.800 -0.048 0.000 2.588 539 G HA2 0.245 4.199 3.960 -0.011 0.000 0.278 539 G HA3 0.245 4.199 3.960 -0.011 0.000 0.278 539 G C 0.730 175.455 174.900 -0.292 0.000 1.307 539 G CA -0.512 44.436 45.100 -0.254 0.000 1.016 539 G HN 0.718 nan 8.290 nan 0.000 0.503 540 N N -1.283 117.216 118.700 -0.336 0.000 2.043 540 N HA -0.153 4.580 4.740 -0.011 0.000 0.193 540 N C 2.480 177.758 175.510 -0.388 0.000 1.037 540 N CA 1.384 54.251 53.050 -0.305 0.000 0.851 540 N CB -0.456 37.835 38.487 -0.328 0.000 1.027 540 N HN 0.178 nan 8.380 nan 0.000 0.422 541 V N 1.611 121.111 119.914 -0.691 0.000 2.295 541 V HA -0.175 3.939 4.120 -0.011 0.000 0.246 541 V C 2.464 178.018 176.094 -0.899 0.000 1.049 541 V CA 1.182 62.959 62.300 -0.872 0.000 1.024 541 V CB -0.503 30.652 31.823 -1.113 0.000 0.648 541 V HN 0.303 nan 8.190 nan 0.000 0.447 542 L N -0.153 120.554 121.223 -0.859 0.000 2.191 542 L HA -0.165 4.168 4.340 -0.011 0.000 0.212 542 L C 2.737 179.405 176.870 -0.337 0.000 1.103 542 L CA 1.481 55.951 54.840 -0.617 0.000 0.769 542 L CB -0.585 41.221 42.059 -0.421 0.000 0.908 542 L HN 0.359 nan 8.230 nan 0.000 0.438 543 R N 0.391 120.731 120.500 -0.265 0.000 2.073 543 R HA -0.222 4.112 4.340 -0.011 0.000 0.234 543 R C 1.922 178.197 176.300 -0.041 0.000 1.134 543 R CA 2.085 58.102 56.100 -0.140 0.000 0.952 543 R CB -0.263 29.979 30.300 -0.096 0.000 0.850 543 R HN 0.215 nan 8.270 nan 0.000 0.433 544 D N -0.321 120.086 120.400 0.011 0.000 2.144 544 D HA -0.166 4.467 4.640 -0.011 0.000 0.199 544 D C 1.707 178.171 176.300 0.274 0.000 0.984 544 D CA 1.303 55.398 54.000 0.158 0.000 0.834 544 D CB -0.150 40.835 40.800 0.307 0.000 0.955 544 D HN 0.442 nan 8.370 nan 0.000 0.465 545 Y N -0.305 119.981 120.300 -0.024 0.000 2.206 545 Y HA -0.059 4.484 4.550 -0.011 0.000 0.292 545 Y C 2.247 178.140 175.900 -0.011 0.000 1.123 545 Y CA 0.312 58.418 58.100 0.011 0.000 1.142 545 Y CB -0.037 38.400 38.460 -0.038 0.000 1.006 545 Y HN -0.068 nan 8.280 nan 0.000 0.518 546 N N -0.131 118.635 118.700 0.108 0.000 2.223 546 N HA -0.128 4.605 4.740 -0.011 0.000 0.185 546 N C 1.738 177.339 175.510 0.151 0.000 1.016 546 N CA 1.877 54.997 53.050 0.118 0.000 0.863 546 N CB -0.718 37.740 38.487 -0.049 0.000 0.983 546 N HN 0.354 nan 8.380 nan 0.000 0.429 547 T N -2.848 111.752 114.554 0.078 0.000 3.160 547 T HA 0.060 4.404 4.350 -0.011 0.000 0.257 547 T C 0.903 175.642 174.700 0.064 0.000 1.147 547 T CA 0.633 62.770 62.100 0.062 0.000 1.064 547 T CB 0.217 69.101 68.868 0.027 0.000 0.949 547 T HN -0.019 nan 8.240 nan 0.000 0.526 548 D N 0.317 120.761 120.400 0.074 0.000 2.725 548 D HA 0.187 4.821 4.640 -0.011 0.000 0.269 548 D C 1.885 178.198 176.300 0.023 0.000 1.018 548 D CA 0.116 54.145 54.000 0.048 0.000 0.956 548 D CB -0.264 40.570 40.800 0.056 0.000 1.141 548 D HN 0.218 nan 8.370 nan 0.000 0.478 549 L N 0.786 122.008 121.223 -0.002 0.000 1.963 549 L HA -0.192 4.141 4.340 -0.011 0.000 0.220 549 L C 2.145 178.857 176.870 -0.263 0.000 1.076 549 L CA 1.888 56.636 54.840 -0.152 0.000 0.772 549 L CB -1.070 40.800 42.059 -0.315 0.000 0.892 549 L HN -0.054 nan 8.230 nan 0.000 0.435 550 F N -0.572 119.372 119.950 -0.010 0.000 2.146 550 F HA -0.044 4.475 4.527 -0.013 0.000 0.298 550 F C -0.226 175.546 175.800 -0.047 0.000 1.096 550 F CA 1.380 59.346 58.000 -0.057 0.000 1.275 550 F CB -2.059 36.903 39.000 -0.064 0.000 1.008 550 F HN 0.206 nan 8.300 nan 0.000 0.480 551 P HA -0.150 nan 4.420 nan 0.000 0.217 551 P C 1.742 179.047 177.300 0.008 0.000 1.150 551 P CA 1.480 64.615 63.100 0.058 0.000 0.832 551 P CB -0.037 31.688 31.700 0.041 0.000 0.787 552 I N -1.472 119.097 120.570 -0.002 0.000 2.252 552 I HA -0.210 3.954 4.170 -0.011 0.000 0.245 552 I C 2.176 178.304 176.117 0.018 0.000 1.102 552 I CA 1.316 62.604 61.300 -0.020 0.000 1.385 552 I CB -0.516 37.485 38.000 0.002 0.000 1.064 552 I HN -0.086 nan 8.210 nan 0.000 0.414 553 L N 0.144 121.389 121.223 0.036 0.000 2.056 553 L HA -0.179 4.155 4.340 -0.011 0.000 0.207 553 L C 2.411 179.400 176.870 0.199 0.000 1.078 553 L CA 1.463 56.362 54.840 0.099 0.000 0.749 553 L CB -0.514 41.470 42.059 -0.124 0.000 0.901 553 L HN 0.243 nan 8.230 nan 0.000 0.433 554 E N -0.099 120.169 120.200 0.113 0.000 2.112 554 E HA -0.078 4.266 4.350 -0.011 0.000 0.190 554 E C 1.928 178.656 176.600 0.213 0.000 0.979 554 E CA 0.903 57.395 56.400 0.155 0.000 0.814 554 E CB 0.187 29.943 29.700 0.093 0.000 0.762 554 E HN 0.472 nan 8.360 nan 0.000 0.460 555 L N -1.660 119.568 121.223 0.008 0.000 2.781 555 L HA 0.353 4.687 4.340 -0.011 0.000 0.245 555 L C 1.374 177.859 176.870 -0.642 0.000 1.118 555 L CA 0.295 55.048 54.840 -0.144 0.000 0.918 555 L CB 0.711 42.743 42.059 -0.044 0.000 1.246 555 L HN 0.261 nan 8.230 nan 0.000 0.526 556 G N 0.790 109.065 108.800 -0.875 0.000 2.179 556 G HA2 -0.275 3.679 3.960 -0.011 0.000 0.260 556 G HA3 -0.275 3.679 3.960 -0.011 0.000 0.260 556 G C 0.298 175.048 174.900 -0.249 0.000 0.977 556 G CA 0.524 45.159 45.100 -0.776 0.000 0.641 556 G HN 0.386 nan 8.290 nan 0.000 0.533 557 T N -1.599 112.851 114.554 -0.173 0.000 2.830 557 T HA 0.580 4.924 4.350 -0.011 0.000 0.322 557 T C 0.767 175.436 174.700 -0.051 0.000 1.501 557 T CA 0.947 63.000 62.100 -0.079 0.000 1.036 557 T CB 1.002 69.831 68.868 -0.065 0.000 1.379 557 T HN 1.109 nan 8.240 nan 0.000 0.493 558 S N 1.093 116.776 115.700 -0.029 0.000 2.559 558 S HA 0.395 4.859 4.470 -0.011 0.000 0.226 558 S C 1.957 176.544 174.600 -0.021 0.000 1.000 558 S CA 0.376 58.568 58.200 -0.014 0.000 0.948 558 S CB 0.234 63.434 63.200 0.001 0.000 0.870 558 S HN 0.880 nan 8.310 nan 0.000 0.497 559 A N 2.099 124.899 122.820 -0.034 0.000 1.969 559 A HA 0.129 4.442 4.320 -0.011 0.000 0.218 559 A C 1.112 178.662 177.584 -0.057 0.000 1.169 559 A CA 0.742 52.751 52.037 -0.047 0.000 0.635 559 A CB -0.249 18.717 19.000 -0.057 0.000 0.810 559 A HN 0.505 nan 8.150 nan 0.000 0.445 560 K N 0.658 121.029 120.400 -0.049 0.000 2.356 560 K HA 0.439 4.752 4.320 -0.011 0.000 0.243 560 K C -0.973 175.612 176.600 -0.026 0.000 1.072 560 K CA -0.039 56.219 56.287 -0.049 0.000 1.014 560 K CB 0.719 33.193 32.500 -0.044 0.000 1.523 560 K HN 0.241 nan 8.250 nan 0.000 0.455 561 M N 1.958 121.543 119.600 -0.026 0.000 2.644 561 M HA 0.357 4.830 4.480 -0.011 0.000 0.304 561 M C -0.913 175.383 176.300 -0.007 0.000 1.215 561 M CA -1.323 53.971 55.300 -0.011 0.000 0.871 561 M CB 1.657 34.252 32.600 -0.008 0.000 1.740 561 M HN 0.300 nan 8.290 nan 0.000 0.464 562 L N 1.465 122.692 121.223 0.005 0.000 2.265 562 L HA 0.464 4.798 4.340 -0.011 0.000 0.288 562 L C -0.292 176.591 176.870 0.021 0.000 1.058 562 L CA 0.440 55.291 54.840 0.019 0.000 0.809 562 L CB 1.001 43.077 42.059 0.027 0.000 1.179 562 L HN 0.742 nan 8.230 nan 0.000 0.429 563 S N 4.564 120.280 115.700 0.027 0.000 2.733 563 S HA 0.729 5.192 4.470 -0.011 0.000 0.307 563 S C -1.069 173.539 174.600 0.013 0.000 1.127 563 S CA -0.536 57.669 58.200 0.009 0.000 1.097 563 S CB 0.609 63.801 63.200 -0.014 0.000 1.003 563 S HN 0.410 nan 8.310 nan 0.000 0.477 564 V N 4.848 124.761 119.914 -0.002 0.000 2.628 564 V HA 0.629 4.743 4.120 -0.011 0.000 0.306 564 V C -0.501 175.515 176.094 -0.131 0.000 1.045 564 V CA -0.723 61.537 62.300 -0.067 0.000 0.905 564 V CB 2.083 33.925 31.823 0.032 0.000 0.997 564 V HN 0.629 nan 8.190 nan 0.000 0.436 565 V N 5.602 125.368 119.914 -0.246 0.000 2.305 565 V HA 0.327 4.441 4.120 -0.011 0.000 0.275 565 V C -2.570 173.389 176.094 -0.225 0.000 1.020 565 V CA -1.804 60.382 62.300 -0.189 0.000 0.811 565 V CB 1.683 33.401 31.823 -0.174 0.000 1.031 565 V HN 0.749 nan 8.190 nan 0.000 0.439 566 P HA 0.179 nan 4.420 nan 0.000 0.264 566 P C -0.060 177.189 177.300 -0.084 0.000 1.229 566 P CA 0.169 63.212 63.100 -0.097 0.000 0.780 566 P CB 0.388 32.077 31.700 -0.019 0.000 0.808 567 L N 3.970 125.126 121.223 -0.110 0.000 2.452 567 L HA 0.156 4.490 4.340 -0.011 0.000 0.267 567 L C 2.388 179.240 176.870 -0.031 0.000 1.188 567 L CA -0.383 54.409 54.840 -0.080 0.000 0.821 567 L CB 0.268 42.266 42.059 -0.101 0.000 1.102 567 L HN 0.488 nan 8.230 nan 0.000 0.470 568 M N 1.697 121.282 119.600 -0.025 0.000 2.088 568 M HA -0.205 4.269 4.480 -0.011 0.000 0.256 568 M C 1.565 177.868 176.300 0.004 0.000 1.071 568 M CA 2.473 57.768 55.300 -0.008 0.000 1.097 568 M CB -0.602 31.991 32.600 -0.012 0.000 1.315 568 M HN 0.609 nan 8.290 nan 0.000 0.406 569 A N -0.073 122.750 122.820 0.004 0.000 2.276 569 A HA 0.466 4.780 4.320 -0.011 0.000 0.212 569 A C 1.766 179.372 177.584 0.037 0.000 1.230 569 A CA 0.613 52.660 52.037 0.017 0.000 0.844 569 A CB -1.093 17.915 19.000 0.014 0.000 0.860 569 A HN 1.087 nan 8.150 nan 0.000 0.486 570 G N -2.338 106.489 108.800 0.045 0.000 2.179 570 G HA2 -0.054 3.900 3.960 -0.011 0.000 0.220 570 G HA3 -0.054 3.900 3.960 -0.011 0.000 0.220 570 G C 0.783 175.779 174.900 0.160 0.000 0.990 570 G CA 0.191 45.344 45.100 0.089 0.000 0.646 570 G HN 1.311 nan 8.290 nan 0.000 0.517 571 G N -0.450 108.398 108.800 0.080 0.000 2.510 571 G HA2 0.751 4.705 3.960 -0.011 0.000 0.280 571 G HA3 0.751 4.705 3.960 -0.011 0.000 0.280 571 G C 0.336 175.121 174.900 -0.193 0.000 1.386 571 G CA -0.033 45.079 45.100 0.020 0.000 1.047 571 G HN 1.418 nan 8.290 nan 0.000 0.527 572 G N -1.647 106.859 108.800 -0.490 0.000 2.667 572 G HA2 0.550 4.504 3.960 -0.011 0.000 0.298 572 G HA3 0.550 4.504 3.960 -0.011 0.000 0.298 572 G C -1.908 172.479 174.900 -0.855 0.000 1.377 572 G CA -0.516 44.154 45.100 -0.717 0.000 0.964 572 G HN 0.756 nan 8.290 nan 0.000 0.493 573 L N 1.116 121.778 121.223 -0.936 0.000 2.325 573 L HA 0.818 5.152 4.340 -0.011 0.000 0.281 573 L C -1.587 174.740 176.870 -0.904 0.000 1.004 573 L CA -0.992 53.436 54.840 -0.687 0.000 0.823 573 L CB 0.927 42.771 42.059 -0.359 0.000 1.236 573 L HN 0.362 nan 8.230 nan 0.000 0.415 574 F N 3.299 123.168 119.950 -0.136 0.000 2.366 574 F HA 0.442 4.963 4.527 -0.011 0.000 0.366 574 F C 0.278 175.989 175.800 -0.148 0.000 1.096 574 F CA -0.630 57.294 58.000 -0.127 0.000 1.060 574 F CB 1.069 39.992 39.000 -0.130 0.000 1.282 574 F HN 0.422 nan 8.300 nan 0.000 0.450 575 E N 1.333 121.520 120.200 -0.023 0.000 2.180 575 E HA 0.091 4.435 4.350 -0.011 0.000 0.283 575 E C 0.950 177.526 176.600 -0.041 0.000 1.061 575 E CA -0.057 56.310 56.400 -0.054 0.000 0.861 575 E CB 1.240 30.904 29.700 -0.061 0.000 1.056 575 E HN 0.739 nan 8.360 nan 0.000 0.407 576 T N 0.339 114.850 114.554 -0.073 0.000 2.951 576 T HA 0.086 4.430 4.350 -0.011 0.000 0.268 576 T C 0.833 175.506 174.700 -0.044 0.000 1.073 576 T CA 0.443 62.501 62.100 -0.070 0.000 1.134 576 T CB 0.236 69.043 68.868 -0.101 0.000 0.884 576 T HN 0.471 nan 8.240 nan 0.000 0.479 577 G N -1.143 107.644 108.800 -0.022 0.000 2.601 577 G HA2 0.599 4.553 3.960 -0.011 0.000 0.291 577 G HA3 0.599 4.553 3.960 -0.011 0.000 0.291 577 G C 0.007 174.905 174.900 -0.004 0.000 1.456 577 G CA -0.250 44.840 45.100 -0.018 0.000 0.804 577 G HN 0.325 nan 8.290 nan 0.000 0.499 578 A N -0.494 122.319 122.820 -0.012 0.000 2.343 578 A HA 0.665 4.978 4.320 -0.011 0.000 0.223 578 A C 1.478 179.064 177.584 0.003 0.000 1.214 578 A CA 1.296 53.327 52.037 -0.010 0.000 0.900 578 A CB -0.231 18.757 19.000 -0.020 0.000 0.942 578 A HN 1.510 nan 8.150 nan 0.000 0.507 579 G N -0.334 108.476 108.800 0.016 0.000 2.486 579 G HA2 0.440 4.394 3.960 -0.011 0.000 0.272 579 G HA3 0.440 4.394 3.960 -0.011 0.000 0.272 579 G C 0.598 175.539 174.900 0.067 0.000 1.426 579 G CA 0.113 45.232 45.100 0.031 0.000 1.058 579 G HN 0.605 nan 8.290 nan 0.000 0.531 580 G N -1.832 107.017 108.800 0.081 0.000 2.583 580 G HA2 0.406 4.360 3.960 -0.011 0.000 0.280 580 G HA3 0.406 4.360 3.960 -0.011 0.000 0.280 580 G C 0.844 175.821 174.900 0.129 0.000 1.376 580 G CA 0.613 45.758 45.100 0.074 0.000 1.043 580 G HN 1.056 nan 8.290 nan 0.000 0.538 581 S N -1.125 114.589 115.700 0.023 0.000 2.679 581 S HA 0.445 4.909 4.470 -0.011 0.000 0.233 581 S C 1.037 175.553 174.600 -0.141 0.000 0.951 581 S CA 0.678 58.802 58.200 -0.127 0.000 0.973 581 S CB -0.195 62.900 63.200 -0.175 0.000 0.778 581 S HN 2.106 nan 8.310 nan 0.000 0.477 582 A N 2.876 125.679 122.820 -0.028 0.000 1.833 582 A HA -0.100 4.213 4.320 -0.011 0.000 0.244 582 A C -0.455 177.061 177.584 -0.114 0.000 1.289 582 A CA 0.385 52.323 52.037 -0.165 0.000 0.735 582 A CB -1.240 17.418 19.000 -0.569 0.000 1.194 582 A HN 0.510 nan 8.150 nan 0.000 0.272 583 P HA -0.187 nan 4.420 nan 0.000 0.217 583 P C 1.276 178.647 177.300 0.119 0.000 1.150 583 P CA 1.494 64.653 63.100 0.097 0.000 0.832 583 P CB 0.032 31.805 31.700 0.120 0.000 0.787 584 K N -0.742 119.718 120.400 0.100 0.000 2.209 584 K HA -0.157 4.156 4.320 -0.011 0.000 0.204 584 K C 2.221 178.978 176.600 0.261 0.000 1.048 584 K CA 1.145 57.527 56.287 0.158 0.000 0.940 584 K CB -0.553 32.042 32.500 0.159 0.000 0.729 584 K HN 0.480 nan 8.250 nan 0.000 0.451 585 H N -0.309 118.825 119.070 0.106 0.000 2.389 585 H HA -0.065 4.485 4.556 -0.011 0.000 0.299 585 H C 2.193 177.560 175.328 0.065 0.000 1.081 585 H CA 0.819 56.934 56.048 0.112 0.000 1.345 585 H CB 0.229 30.095 29.762 0.173 0.000 1.393 585 H HN -0.066 nan 8.280 nan 0.000 0.520 586 V N 1.046 121.059 119.914 0.164 0.000 2.358 586 V HA -0.264 3.849 4.120 -0.011 0.000 0.246 586 V C 2.481 178.633 176.094 0.097 0.000 1.047 586 V CA 1.766 64.098 62.300 0.053 0.000 1.035 586 V CB -0.529 31.260 31.823 -0.058 0.000 0.658 586 V HN 0.444 nan 8.190 nan 0.000 0.452 587 Q N -0.012 119.872 119.800 0.140 0.000 2.096 587 Q HA -0.331 4.002 4.340 -0.011 0.000 0.204 587 Q C 2.365 178.417 176.000 0.086 0.000 0.982 587 Q CA 2.377 58.247 55.803 0.112 0.000 0.850 587 Q CB -0.152 28.644 28.738 0.096 0.000 0.901 587 Q HN 0.765 nan 8.270 nan 0.000 0.422 588 Q N -0.520 119.341 119.800 0.101 0.000 2.167 588 Q HA -0.120 4.214 4.340 -0.011 0.000 0.202 588 Q C 1.876 177.925 176.000 0.082 0.000 0.970 588 Q CA 1.324 57.181 55.803 0.091 0.000 0.855 588 Q CB 0.194 29.000 28.738 0.113 0.000 0.911 588 Q HN 0.312 nan 8.270 nan 0.000 0.438 589 V N 1.057 121.012 119.914 0.068 0.000 2.379 589 V HA -0.250 3.864 4.120 -0.011 0.000 0.245 589 V C 2.169 178.280 176.094 0.029 0.000 1.044 589 V CA 1.967 64.290 62.300 0.038 0.000 1.036 589 V CB -0.490 31.335 31.823 0.004 0.000 0.664 589 V HN 0.452 nan 8.190 nan 0.000 0.453 590 Q N -0.284 119.535 119.800 0.033 0.000 2.119 590 Q HA -0.225 4.109 4.340 -0.011 0.000 0.201 590 Q C 2.162 178.179 176.000 0.028 0.000 0.972 590 Q CA 1.687 57.507 55.803 0.028 0.000 0.847 590 Q CB -0.129 28.636 28.738 0.044 0.000 0.903 590 Q HN 0.692 nan 8.270 nan 0.000 0.433 591 E N 0.616 120.838 120.200 0.036 0.000 2.086 591 E HA -0.119 4.225 4.350 -0.011 0.000 0.190 591 E C 0.762 177.379 176.600 0.029 0.000 0.975 591 E CA 1.177 57.595 56.400 0.029 0.000 0.813 591 E CB 0.362 30.080 29.700 0.031 0.000 0.768 591 E HN 0.454 nan 8.360 nan 0.000 0.457 592 E N -0.384 119.841 120.200 0.041 0.000 2.945 592 E HA 0.106 4.449 4.350 -0.011 0.000 0.196 592 E C -0.266 176.373 176.600 0.065 0.000 0.965 592 E CA -0.269 56.157 56.400 0.043 0.000 1.270 592 E CB -0.033 29.689 29.700 0.035 0.000 1.045 592 E HN -0.057 nan 8.360 nan 0.000 0.474 593 N N 1.836 120.570 118.700 0.057 0.000 2.714 593 N HA -0.258 4.476 4.740 -0.011 0.000 0.252 593 N C -1.570 173.991 175.510 0.084 0.000 1.014 593 N CA 1.170 54.251 53.050 0.050 0.000 0.735 593 N CB -1.614 36.893 38.487 0.032 0.000 0.924 593 N HN 0.695 nan 8.380 nan 0.000 0.540 594 H N -0.343 118.729 119.070 0.003 0.000 2.727 594 H HA 0.552 5.102 4.556 -0.011 0.000 0.330 594 H C -1.072 174.255 175.328 -0.001 0.000 0.986 594 H CA -0.985 55.063 56.048 -0.000 0.000 1.251 594 H CB 0.635 30.393 29.762 -0.007 0.000 1.493 594 H HN 0.171 nan 8.280 nan 0.000 0.515 595 L N 6.580 127.571 121.223 -0.387 0.000 2.262 595 L HA 0.370 4.704 4.340 -0.011 0.000 0.288 595 L C 0.807 177.486 176.870 -0.318 0.000 1.035 595 L CA -0.156 54.558 54.840 -0.209 0.000 0.820 595 L CB 0.582 42.587 42.059 -0.089 0.000 1.204 595 L HN 0.857 nan 8.230 nan 0.000 0.424 596 R N 3.751 124.131 120.500 -0.200 0.000 2.334 596 R HA 0.061 4.395 4.340 -0.011 0.000 0.220 596 R C 0.182 176.389 176.300 -0.155 0.000 0.917 596 R CA -0.505 55.483 56.100 -0.187 0.000 1.073 596 R CB -0.107 30.110 30.300 -0.139 0.000 1.056 596 R HN 0.672 nan 8.270 nan 0.000 0.506 597 W N 3.432 124.641 121.300 -0.151 0.000 2.347 597 W HA 0.012 4.666 4.660 -0.010 0.000 0.333 597 W C -0.977 175.542 176.519 0.000 0.000 1.383 597 W CA 0.167 57.565 57.345 0.088 0.000 1.283 597 W CB 0.498 30.061 29.460 0.172 0.000 1.253 597 W HN 0.085 nan 8.180 nan 0.000 0.563 598 D N 3.879 123.930 120.400 -0.581 0.000 2.316 598 D HA 0.093 4.727 4.640 -0.011 0.000 0.245 598 D C 0.385 176.336 176.300 -0.582 0.000 1.171 598 D CA 0.070 53.794 54.000 -0.459 0.000 0.856 598 D CB 1.326 41.888 40.800 -0.397 0.000 1.090 598 D HN 0.236 nan 8.370 nan 0.000 0.476 599 S N 3.010 118.531 115.700 -0.299 0.000 2.631 599 S HA -0.033 4.431 4.470 -0.011 0.000 0.217 599 S C 1.658 175.680 174.600 -0.964 0.000 0.958 599 S CA -0.470 57.486 58.200 -0.407 0.000 0.920 599 S CB -0.074 63.014 63.200 -0.187 0.000 0.776 599 S HN 0.521 nan 8.310 nan 0.000 0.517 600 L N 2.678 123.529 121.223 -0.621 0.000 2.051 600 L HA -0.144 4.190 4.340 -0.011 0.000 0.214 600 L C 2.172 178.860 176.870 -0.303 0.000 1.076 600 L CA 2.233 56.851 54.840 -0.371 0.000 0.758 600 L CB -1.268 40.707 42.059 -0.140 0.000 0.890 600 L HN 0.343 nan 8.230 nan 0.000 0.433 601 G N -1.572 107.064 108.800 -0.273 0.000 2.432 601 G HA2 -0.261 3.693 3.960 -0.011 0.000 0.219 601 G HA3 -0.261 3.693 3.960 -0.011 0.000 0.219 601 G C 1.426 176.240 174.900 -0.144 0.000 1.135 601 G CA 0.885 45.887 45.100 -0.163 0.000 0.767 601 G HN 0.550 nan 8.290 nan 0.000 0.550 602 E N -0.121 119.952 120.200 -0.212 0.000 2.107 602 E HA -0.013 4.331 4.350 -0.011 0.000 0.191 602 E C 2.146 178.761 176.600 0.026 0.000 0.982 602 E CA 0.671 57.007 56.400 -0.107 0.000 0.809 602 E CB -0.184 29.527 29.700 0.019 0.000 0.756 602 E HN 0.436 nan 8.360 nan 0.000 0.459 603 F N 0.728 120.685 119.950 0.012 0.000 2.102 603 F HA -0.129 4.392 4.527 -0.011 0.000 0.298 603 F C 2.042 177.777 175.800 -0.108 0.000 1.105 603 F CA 0.852 58.806 58.000 -0.077 0.000 1.239 603 F CB -0.999 37.946 39.000 -0.091 0.000 0.991 603 F HN -0.006 nan 8.300 nan 0.000 0.474 604 L N -0.246 121.035 121.223 0.097 0.000 2.017 604 L HA -0.185 4.149 4.340 -0.011 0.000 0.208 604 L C 2.740 179.596 176.870 -0.023 0.000 1.073 604 L CA 1.329 56.182 54.840 0.023 0.000 0.745 604 L CB -1.178 40.887 42.059 0.009 0.000 0.894 604 L HN 0.145 nan 8.230 nan 0.000 0.432 605 A N -0.038 122.758 122.820 -0.040 0.000 1.933 605 A HA -0.218 4.096 4.320 -0.011 0.000 0.218 605 A C 2.211 179.678 177.584 -0.196 0.000 1.175 605 A CA 1.611 53.604 52.037 -0.073 0.000 0.628 605 A CB -0.670 18.294 19.000 -0.061 0.000 0.814 605 A HN 0.331 nan 8.150 nan 0.000 0.444 606 L N -0.184 120.954 121.223 -0.142 0.000 2.046 606 L HA -0.067 4.267 4.340 -0.011 0.000 0.208 606 L C 2.627 179.328 176.870 -0.282 0.000 1.077 606 L CA 2.172 56.875 54.840 -0.230 0.000 0.747 606 L CB -0.822 41.202 42.059 -0.059 0.000 0.896 606 L HN 0.338 nan 8.230 nan 0.000 0.432 607 A N -0.829 121.928 122.820 -0.105 0.000 1.902 607 A HA -0.240 4.074 4.320 -0.011 0.000 0.217 607 A C 2.265 179.828 177.584 -0.034 0.000 1.181 607 A CA 1.723 53.772 52.037 0.021 0.000 0.623 607 A CB -0.681 18.313 19.000 -0.010 0.000 0.818 607 A HN 0.528 nan 8.150 nan 0.000 0.443 608 E N -0.076 120.025 120.200 -0.165 0.000 2.150 608 E HA -0.108 4.235 4.350 -0.011 0.000 0.193 608 E C 2.172 178.429 176.600 -0.570 0.000 0.985 608 E CA 1.295 57.559 56.400 -0.227 0.000 0.814 608 E CB -0.357 29.261 29.700 -0.136 0.000 0.752 608 E HN 0.479 nan 8.360 nan 0.000 0.466 609 S N -1.124 114.008 115.700 -0.947 0.000 2.368 609 S HA -0.115 4.349 4.470 -0.011 0.000 0.225 609 S C 1.799 176.205 174.600 -0.323 0.000 1.030 609 S CA 1.160 58.684 58.200 -1.128 0.000 0.999 609 S CB -0.509 62.184 63.200 -0.845 0.000 0.844 609 S HN 0.436 nan 8.310 nan 0.000 0.459 610 F N 1.262 121.127 119.950 -0.141 0.000 2.186 610 F HA 0.016 4.536 4.527 -0.011 0.000 0.299 610 F C 2.748 178.552 175.800 0.006 0.000 1.090 610 F CA 0.895 58.895 58.000 -0.001 0.000 1.307 610 F CB -0.101 38.927 39.000 0.047 0.000 1.019 610 F HN 0.112 nan 8.300 nan 0.000 0.489 611 R N -0.879 119.720 120.500 0.164 0.000 2.148 611 R HA -0.185 4.148 4.340 -0.011 0.000 0.227 611 R C 1.911 178.283 176.300 0.120 0.000 1.103 611 R CA 1.334 57.502 56.100 0.113 0.000 0.983 611 R CB -0.637 29.709 30.300 0.077 0.000 0.874 611 R HN 0.377 nan 8.270 nan 0.000 0.451 612 H N 1.269 120.374 119.070 0.059 0.000 2.353 612 H HA -0.069 4.481 4.556 -0.011 0.000 0.300 612 H C 1.754 177.161 175.328 0.130 0.000 1.090 612 H CA 1.567 57.703 56.048 0.148 0.000 1.327 612 H CB 0.201 30.139 29.762 0.294 0.000 1.383 612 H HN 0.019 nan 8.280 nan 0.000 0.508 613 E N 0.279 120.546 120.200 0.113 0.000 2.110 613 E HA -0.135 4.209 4.350 -0.011 0.000 0.193 613 E C 2.384 178.996 176.600 0.020 0.000 0.988 613 E CA 0.966 57.411 56.400 0.075 0.000 0.804 613 E CB -0.505 29.320 29.700 0.209 0.000 0.745 613 E HN 0.473 nan 8.360 nan 0.000 0.458 614 L N 1.501 122.753 121.223 0.050 0.000 2.005 614 L HA -0.146 4.188 4.340 -0.011 0.000 0.207 614 L C 1.491 178.358 176.870 -0.004 0.000 1.072 614 L CA 1.960 56.817 54.840 0.029 0.000 0.744 614 L CB -0.601 41.484 42.059 0.045 0.000 0.895 614 L HN 0.019 nan 8.230 nan 0.000 0.433 615 N N -0.836 117.855 118.700 -0.016 0.000 2.331 615 N HA -0.090 4.643 4.740 -0.011 0.000 0.180 615 N C 1.128 176.600 175.510 -0.063 0.000 1.019 615 N CA 1.374 54.410 53.050 -0.024 0.000 0.881 615 N CB -0.108 38.380 38.487 0.002 0.000 0.972 615 N HN 0.548 nan 8.380 nan 0.000 0.435 616 N N -0.549 118.057 118.700 -0.156 0.000 2.348 616 N HA 0.126 4.859 4.740 -0.011 0.000 0.183 616 N C -0.047 175.396 175.510 -0.111 0.000 1.094 616 N CA 0.143 53.090 53.050 -0.173 0.000 0.885 616 N CB 0.547 38.816 38.487 -0.363 0.000 1.065 616 N HN 0.093 nan 8.380 nan 0.000 0.472 617 N N 0.103 118.746 118.700 -0.095 0.000 2.238 617 N HA 0.140 4.874 4.740 -0.011 0.000 0.235 617 N C 0.352 175.860 175.510 -0.003 0.000 1.209 617 N CA 0.173 53.207 53.050 -0.026 0.000 0.879 617 N CB 1.105 39.595 38.487 0.005 0.000 1.136 617 N HN 0.149 nan 8.380 nan 0.000 0.517 618 G N 1.709 110.503 108.800 -0.010 0.000 2.361 618 G HA2 -0.329 3.625 3.960 -0.011 0.000 0.294 618 G HA3 -0.329 3.625 3.960 -0.011 0.000 0.294 618 G C 0.104 175.012 174.900 0.013 0.000 1.004 618 G CA 0.165 45.266 45.100 0.003 0.000 0.870 618 G HN 0.358 nan 8.290 nan 0.000 0.510 619 N N 0.752 119.465 118.700 0.022 0.000 2.448 619 N HA 0.204 4.937 4.740 -0.011 0.000 0.250 619 N C 1.926 177.450 175.510 0.023 0.000 1.136 619 N CA 0.666 53.736 53.050 0.032 0.000 0.953 619 N CB 0.499 39.023 38.487 0.061 0.000 1.251 619 N HN 0.416 nan 8.380 nan 0.000 0.502 620 T N 0.939 115.501 114.554 0.013 0.000 2.867 620 T HA -0.077 4.267 4.350 -0.011 0.000 0.268 620 T C 1.510 176.207 174.700 -0.005 0.000 1.057 620 T CA 1.023 63.127 62.100 0.006 0.000 1.136 620 T CB 0.062 68.933 68.868 0.004 0.000 0.874 620 T HN 0.369 nan 8.240 nan 0.000 0.466 621 K N 1.257 121.651 120.400 -0.009 0.000 2.147 621 K HA 0.167 4.481 4.320 -0.011 0.000 0.205 621 K C 2.732 179.286 176.600 -0.076 0.000 1.049 621 K CA 1.057 57.326 56.287 -0.030 0.000 0.936 621 K CB -0.400 32.089 32.500 -0.019 0.000 0.722 621 K HN 0.481 nan 8.250 nan 0.000 0.446 622 A N 1.041 123.828 122.820 -0.055 0.000 1.969 622 A HA -0.071 4.243 4.320 -0.011 0.000 0.218 622 A C 2.335 179.864 177.584 -0.091 0.000 1.169 622 A CA 1.771 53.742 52.037 -0.111 0.000 0.635 622 A CB -0.883 18.172 19.000 0.092 0.000 0.810 622 A HN 0.419 nan 8.150 nan 0.000 0.445 623 G N -0.733 108.056 108.800 -0.018 0.000 2.422 623 G HA2 -0.032 3.921 3.960 -0.011 0.000 0.218 623 G HA3 -0.032 3.921 3.960 -0.011 0.000 0.218 623 G C 1.438 176.330 174.900 -0.014 0.000 1.140 623 G CA 1.109 46.212 45.100 0.005 0.000 0.775 623 G HN 0.300 nan 8.290 nan 0.000 0.545 624 V N 0.878 120.769 119.914 -0.037 0.000 2.358 624 V HA -0.072 4.042 4.120 -0.011 0.000 0.246 624 V C 2.870 178.942 176.094 -0.036 0.000 1.047 624 V CA 1.159 63.440 62.300 -0.032 0.000 1.035 624 V CB -0.339 31.461 31.823 -0.039 0.000 0.658 624 V HN 0.331 nan 8.190 nan 0.000 0.452 625 L N 0.019 121.172 121.223 -0.117 0.000 2.046 625 L HA -0.154 4.180 4.340 -0.011 0.000 0.208 625 L C 2.734 179.659 176.870 0.092 0.000 1.077 625 L CA 1.579 56.364 54.840 -0.093 0.000 0.747 625 L CB -0.780 40.927 42.059 -0.587 0.000 0.896 625 L HN 0.374 nan 8.230 nan 0.000 0.432 626 A N -0.122 122.700 122.820 0.004 0.000 1.873 626 A HA -0.218 4.096 4.320 -0.011 0.000 0.215 626 A C 1.929 179.546 177.584 0.055 0.000 1.186 626 A CA 1.859 53.962 52.037 0.110 0.000 0.616 626 A CB -0.494 18.586 19.000 0.132 0.000 0.823 626 A HN 0.345 nan 8.150 nan 0.000 0.442 627 D N 0.187 120.612 120.400 0.042 0.000 2.117 627 D HA -0.080 4.554 4.640 -0.011 0.000 0.197 627 D C 2.197 178.518 176.300 0.036 0.000 0.987 627 D CA 1.584 55.601 54.000 0.029 0.000 0.829 627 D CB -0.423 40.391 40.800 0.023 0.000 0.961 627 D HN 0.432 nan 8.370 nan 0.000 0.460 628 A N 0.652 123.525 122.820 0.087 0.000 1.930 628 A HA -0.108 4.206 4.320 -0.011 0.000 0.217 628 A C 2.119 179.742 177.584 0.064 0.000 1.175 628 A CA 0.772 52.900 52.037 0.152 0.000 0.627 628 A CB -0.540 18.620 19.000 0.267 0.000 0.815 628 A HN 0.222 nan 8.150 nan 0.000 0.443 629 L N 0.072 121.207 121.223 -0.145 0.000 2.093 629 L HA -0.112 4.221 4.340 -0.011 0.000 0.208 629 L C 1.534 178.217 176.870 -0.312 0.000 1.085 629 L CA 2.253 56.696 54.840 -0.662 0.000 0.755 629 L CB -0.711 40.873 42.059 -0.791 0.000 0.904 629 L HN 0.305 nan 8.230 nan 0.000 0.435 630 D N 0.019 120.336 120.400 -0.137 0.000 2.092 630 D HA -0.208 4.425 4.640 -0.011 0.000 0.193 630 D C 2.149 178.413 176.300 -0.060 0.000 0.994 630 D CA 1.544 55.501 54.000 -0.072 0.000 0.828 630 D CB -0.045 40.741 40.800 -0.024 0.000 0.963 630 D HN 0.354 nan 8.370 nan 0.000 0.450 631 K N 0.569 120.944 120.400 -0.042 0.000 2.097 631 K HA -0.010 4.304 4.320 -0.011 0.000 0.206 631 K C 2.108 178.683 176.600 -0.041 0.000 1.049 631 K CA 1.090 57.360 56.287 -0.029 0.000 0.933 631 K CB -0.069 32.427 32.500 -0.007 0.000 0.717 631 K HN 0.032 nan 8.250 nan 0.000 0.442 632 A N 0.774 123.569 122.820 -0.041 0.000 1.902 632 A HA -0.147 4.166 4.320 -0.011 0.000 0.217 632 A C 2.161 179.738 177.584 -0.012 0.000 1.181 632 A CA 1.959 54.006 52.037 0.016 0.000 0.623 632 A CB -0.890 18.101 19.000 -0.015 0.000 0.818 632 A HN 0.244 nan 8.150 nan 0.000 0.443 633 T N -0.049 114.442 114.554 -0.105 0.000 2.821 633 T HA -0.103 4.240 4.350 -0.011 0.000 0.267 633 T C 1.742 176.436 174.700 -0.011 0.000 1.046 633 T CA 1.382 63.439 62.100 -0.071 0.000 1.139 633 T CB -0.213 68.623 68.868 -0.053 0.000 0.871 633 T HN 0.574 nan 8.240 nan 0.000 0.454 634 E N 1.001 121.192 120.200 -0.014 0.000 2.077 634 E HA -0.146 4.197 4.350 -0.011 0.000 0.193 634 E C 2.261 178.855 176.600 -0.010 0.000 0.989 634 E CA 0.969 57.374 56.400 0.008 0.000 0.800 634 E CB -0.114 29.591 29.700 0.008 0.000 0.746 634 E HN 0.411 nan 8.360 nan 0.000 0.452 635 K N 0.784 121.139 120.400 -0.075 0.000 2.057 635 K HA -0.148 4.166 4.320 -0.011 0.000 0.206 635 K C 2.276 178.853 176.600 -0.038 0.000 1.050 635 K CA 0.514 56.679 56.287 -0.203 0.000 0.935 635 K CB -0.083 32.048 32.500 -0.616 0.000 0.715 635 K HN -0.024 nan 8.250 nan 0.000 0.439 636 L N 1.349 122.668 121.223 0.159 0.000 2.012 636 L HA -0.177 4.157 4.340 -0.011 0.000 0.210 636 L C 1.881 178.781 176.870 0.049 0.000 1.073 636 L CA 1.629 56.611 54.840 0.236 0.000 0.748 636 L CB -0.259 41.889 42.059 0.148 0.000 0.891 636 L HN 0.215 nan 8.230 nan 0.000 0.431 637 L N -0.809 120.391 121.223 -0.037 0.000 2.109 637 L HA -0.170 4.164 4.340 -0.011 0.000 0.207 637 L C 2.275 179.071 176.870 -0.124 0.000 1.086 637 L CA 1.338 56.046 54.840 -0.219 0.000 0.760 637 L CB -0.725 41.143 42.059 -0.318 0.000 0.910 637 L HN 0.401 nan 8.230 nan 0.000 0.437 638 N N 0.580 119.305 118.700 0.043 0.000 2.166 638 N HA -0.198 4.536 4.740 -0.011 0.000 0.186 638 N C 1.426 176.982 175.510 0.077 0.000 1.019 638 N CA 1.227 54.365 53.050 0.147 0.000 0.856 638 N CB 0.127 38.663 38.487 0.083 0.000 0.993 638 N HN 0.303 nan 8.380 nan 0.000 0.426 639 E N 0.164 120.367 120.200 0.005 0.000 2.437 639 E HA 0.046 4.389 4.350 -0.011 0.000 0.189 639 E C -0.688 175.876 176.600 -0.061 0.000 1.054 639 E CA -0.049 56.334 56.400 -0.029 0.000 0.874 639 E CB 0.113 29.787 29.700 -0.043 0.000 1.011 639 E HN 0.350 nan 8.360 nan 0.000 0.474 640 E N 0.816 120.971 120.200 -0.075 0.000 2.269 640 E HA -0.247 4.097 4.350 -0.011 0.000 0.223 640 E C -0.071 176.475 176.600 -0.089 0.000 1.244 640 E CA 0.300 56.630 56.400 -0.116 0.000 0.713 640 E CB -0.713 28.924 29.700 -0.105 0.000 1.178 640 E HN 0.208 nan 8.360 nan 0.000 0.370 641 K N 0.155 120.517 120.400 -0.063 0.000 2.500 641 K HA 0.141 4.455 4.320 -0.011 0.000 0.206 641 K C 0.264 176.883 176.600 0.031 0.000 1.034 641 K CA -0.079 56.188 56.287 -0.034 0.000 1.179 641 K CB 0.658 33.124 32.500 -0.056 0.000 0.884 641 K HN 0.005 nan 8.250 nan 0.000 0.493 642 S N 2.265 117.962 115.700 -0.005 0.000 2.614 642 S HA 0.205 4.668 4.470 -0.011 0.000 0.265 642 S C -2.370 172.236 174.600 0.009 0.000 1.303 642 S CA -1.025 57.183 58.200 0.013 0.000 1.000 642 S CB 0.580 63.745 63.200 -0.058 0.000 0.935 642 S HN 0.042 nan 8.310 nan 0.000 0.551 643 P HA 0.104 nan 4.420 nan 0.000 0.265 643 P C -0.567 176.751 177.300 0.029 0.000 1.193 643 P CA 0.055 63.159 63.100 0.006 0.000 0.765 643 P CB 0.504 32.180 31.700 -0.041 0.000 0.823 644 S N 2.343 118.102 115.700 0.097 0.000 2.652 644 S HA 0.219 4.683 4.470 -0.011 0.000 0.270 644 S C 1.169 175.865 174.600 0.160 0.000 1.243 644 S CA -0.584 57.666 58.200 0.084 0.000 0.999 644 S CB 0.555 63.796 63.200 0.068 0.000 0.973 644 S HN 0.438 nan 8.310 nan 0.000 0.544 645 R N 0.890 121.412 120.500 0.036 0.000 2.276 645 R HA 0.165 4.499 4.340 -0.011 0.000 0.196 645 R C -0.266 175.925 176.300 -0.181 0.000 0.961 645 R CA 0.422 56.523 56.100 0.002 0.000 1.024 645 R CB -0.028 30.254 30.300 -0.030 0.000 0.940 645 R HN 0.529 nan 8.270 nan 0.000 0.480 646 K N 0.969 121.197 120.400 -0.286 0.000 2.138 646 K HA 0.253 4.567 4.320 -0.011 0.000 0.263 646 K C -0.460 175.720 176.600 -0.700 0.000 0.965 646 K CA -0.696 55.354 56.287 -0.395 0.000 0.868 646 K CB 2.743 35.130 32.500 -0.187 0.000 1.083 646 K HN -0.197 nan 8.250 nan 0.000 0.443 647 V N 1.668 121.262 119.914 -0.533 0.000 2.963 647 V HA 0.101 4.215 4.120 -0.011 0.000 0.306 647 V C 1.452 177.466 176.094 -0.134 0.000 1.077 647 V CA 1.572 63.671 62.300 -0.335 0.000 1.124 647 V CB 0.738 32.484 31.823 -0.128 0.000 0.987 647 V HN 1.151 nan 8.190 nan 0.000 0.487 648 G N 2.806 111.600 108.800 -0.010 0.000 2.199 648 G HA2 -0.185 3.769 3.960 -0.011 0.000 0.254 648 G HA3 -0.185 3.769 3.960 -0.011 0.000 0.254 648 G C 0.080 174.999 174.900 0.030 0.000 0.982 648 G CA 0.311 45.419 45.100 0.013 0.000 0.632 648 G HN 0.677 nan 8.290 nan 0.000 0.529 649 E N -0.523 119.700 120.200 0.039 0.000 2.264 649 E HA 0.574 4.918 4.350 -0.011 0.000 0.260 649 E C 0.168 176.872 176.600 0.174 0.000 0.961 649 E CA -1.173 55.270 56.400 0.071 0.000 0.834 649 E CB 2.049 31.763 29.700 0.023 0.000 1.230 649 E HN 0.265 nan 8.360 nan 0.000 0.412 650 I N 2.460 123.111 120.570 0.135 0.000 2.826 650 I HA -0.145 4.019 4.170 -0.011 0.000 0.295 650 I C -0.161 176.044 176.117 0.147 0.000 1.213 650 I CA 0.646 62.029 61.300 0.138 0.000 1.436 650 I CB 0.070 38.137 38.000 0.111 0.000 1.348 650 I HN 0.557 nan 8.210 nan 0.000 0.570 651 D N 5.405 125.824 120.400 0.032 0.000 2.712 651 D HA 0.071 4.704 4.640 -0.011 0.000 0.252 651 D C 0.577 176.801 176.300 -0.126 0.000 1.123 651 D CA -0.511 53.377 54.000 -0.187 0.000 1.109 651 D CB 0.086 40.503 40.800 -0.639 0.000 1.313 651 D HN 0.537 nan 8.370 nan 0.000 0.629 652 N N -0.199 118.390 118.700 -0.186 0.000 2.060 652 N HA -0.228 4.505 4.740 -0.011 0.000 0.195 652 N C 1.617 176.918 175.510 -0.348 0.000 1.028 652 N CA 1.302 54.235 53.050 -0.196 0.000 0.861 652 N CB 0.021 38.443 38.487 -0.109 0.000 1.029 652 N HN 0.327 nan 8.380 nan 0.000 0.428 653 R N -0.296 120.090 120.500 -0.189 0.000 2.096 653 R HA -0.059 4.275 4.340 -0.011 0.000 0.235 653 R C 2.438 178.779 176.300 0.068 0.000 1.127 653 R CA 1.290 57.359 56.100 -0.052 0.000 0.968 653 R CB -0.540 29.784 30.300 0.040 0.000 0.861 653 R HN 0.295 nan 8.270 nan 0.000 0.440 654 G N 0.415 109.253 108.800 0.062 0.000 2.408 654 G HA2 -0.286 3.668 3.960 -0.011 0.000 0.217 654 G HA3 -0.286 3.668 3.960 -0.011 0.000 0.217 654 G C 1.498 176.561 174.900 0.272 0.000 1.150 654 G CA 0.944 46.145 45.100 0.169 0.000 0.776 654 G HN 0.455 nan 8.290 nan 0.000 0.542 655 S N 0.043 115.858 115.700 0.192 0.000 2.382 655 S HA -0.154 4.309 4.470 -0.011 0.000 0.228 655 S C 1.937 176.729 174.600 0.320 0.000 1.027 655 S CA 1.552 59.906 58.200 0.258 0.000 0.991 655 S CB -0.848 62.495 63.200 0.239 0.000 0.823 655 S HN 0.663 nan 8.310 nan 0.000 0.469 656 H N -0.416 118.809 119.070 0.260 0.000 2.353 656 H HA -0.011 4.538 4.556 -0.011 0.000 0.300 656 H C 1.977 177.366 175.328 0.102 0.000 1.090 656 H CA 1.414 57.604 56.048 0.236 0.000 1.327 656 H CB -0.252 29.698 29.762 0.313 0.000 1.383 656 H HN 0.520 nan 8.280 nan 0.000 0.508 657 F N 0.544 120.519 119.950 0.041 0.000 2.075 657 F HA -0.238 4.282 4.527 -0.010 0.000 0.297 657 F C 1.724 177.200 175.800 -0.539 0.000 1.113 657 F CA 1.386 59.095 58.000 -0.485 0.000 1.218 657 F CB -0.704 37.752 39.000 -0.907 0.000 0.984 657 F HN 0.095 nan 8.300 nan 0.000 0.472 658 W N 0.276 121.212 121.300 -0.606 0.000 2.363 658 W HA -0.157 4.497 4.660 -0.010 0.000 0.296 658 W C 2.345 178.275 176.519 -0.981 0.000 1.212 658 W CA 1.180 57.956 57.345 -0.949 0.000 1.260 658 W CB -0.715 28.392 29.460 -0.589 0.000 1.131 658 W HN 0.165 nan 8.180 nan 0.000 0.530 659 L N 0.100 121.120 121.223 -0.339 0.000 2.017 659 L HA -0.186 4.148 4.340 -0.011 0.000 0.208 659 L C 2.292 179.022 176.870 -0.234 0.000 1.073 659 L CA 2.231 56.879 54.840 -0.321 0.000 0.745 659 L CB -1.122 40.576 42.059 -0.601 0.000 0.894 659 L HN -0.164 nan 8.230 nan 0.000 0.432 660 T N -0.330 114.081 114.554 -0.238 0.000 2.746 660 T HA -0.238 4.105 4.350 -0.011 0.000 0.267 660 T C 1.875 176.531 174.700 -0.074 0.000 1.039 660 T CA 1.744 63.791 62.100 -0.087 0.000 1.142 660 T CB -0.238 68.668 68.868 0.064 0.000 0.866 660 T HN 0.340 nan 8.240 nan 0.000 0.444 661 K N 0.457 120.574 120.400 -0.472 0.000 2.026 661 K HA -0.060 4.253 4.320 -0.011 0.000 0.208 661 K C 2.057 178.678 176.600 0.036 0.000 1.048 661 K CA 1.393 57.450 56.287 -0.384 0.000 0.929 661 K CB -0.353 31.630 32.500 -0.862 0.000 0.713 661 K HN 0.429 nan 8.250 nan 0.000 0.439 662 F N -0.771 119.183 119.950 0.007 0.000 2.171 662 F HA -0.232 4.289 4.527 -0.010 0.000 0.300 662 F C 2.339 178.222 175.800 0.138 0.000 1.090 662 F CA 0.052 58.095 58.000 0.072 0.000 1.293 662 F CB -0.254 38.772 39.000 0.044 0.000 1.013 662 F HN 0.304 nan 8.300 nan 0.000 0.486 663 W N 1.520 122.875 121.300 0.092 0.000 2.381 663 W HA -0.100 4.554 4.660 -0.010 0.000 0.301 663 W C 2.447 179.015 176.519 0.081 0.000 1.205 663 W CA 1.424 58.785 57.345 0.025 0.000 1.285 663 W CB -0.940 28.446 29.460 -0.123 0.000 1.133 663 W HN -0.059 nan 8.180 nan 0.000 0.521 664 A N 0.229 123.227 122.820 0.296 0.000 1.902 664 A HA -0.219 4.095 4.320 -0.011 0.000 0.217 664 A C 1.831 179.482 177.584 0.111 0.000 1.181 664 A CA 2.122 54.248 52.037 0.148 0.000 0.623 664 A CB -0.993 18.165 19.000 0.263 0.000 0.818 664 A HN 0.226 nan 8.150 nan 0.000 0.443 665 D N -0.055 120.445 120.400 0.166 0.000 2.106 665 D HA -0.151 4.483 4.640 -0.011 0.000 0.191 665 D C 1.946 178.306 176.300 0.100 0.000 0.997 665 D CA 1.464 55.549 54.000 0.142 0.000 0.834 665 D CB -0.329 40.582 40.800 0.185 0.000 0.956 665 D HN 0.410 nan 8.370 nan 0.000 0.448 666 E N 0.380 120.650 120.200 0.116 0.000 2.085 666 E HA -0.127 4.216 4.350 -0.011 0.000 0.194 666 E C 2.532 179.152 176.600 0.033 0.000 0.994 666 E CA 0.337 56.787 56.400 0.082 0.000 0.801 666 E CB -0.381 29.393 29.700 0.124 0.000 0.743 666 E HN 0.376 nan 8.360 nan 0.000 0.453 667 L N 0.223 121.424 121.223 -0.037 0.000 2.093 667 L HA -0.119 4.215 4.340 -0.011 0.000 0.208 667 L C 2.438 179.294 176.870 -0.023 0.000 1.085 667 L CA 1.070 55.814 54.840 -0.160 0.000 0.755 667 L CB -0.387 41.266 42.059 -0.678 0.000 0.904 667 L HN 0.056 nan 8.230 nan 0.000 0.435 668 A N -0.431 122.412 122.820 0.038 0.000 2.016 668 A HA 0.040 4.353 4.320 -0.011 0.000 0.217 668 A C 2.393 180.005 177.584 0.047 0.000 1.162 668 A CA 1.305 53.386 52.037 0.073 0.000 0.662 668 A CB -0.375 18.678 19.000 0.089 0.000 0.812 668 A HN 0.371 nan 8.150 nan 0.000 0.450 669 A N -0.159 122.685 122.820 0.040 0.000 2.030 669 A HA 0.207 4.521 4.320 -0.011 0.000 0.215 669 A C 1.256 178.853 177.584 0.023 0.000 1.164 669 A CA 0.768 52.825 52.037 0.032 0.000 0.697 669 A CB -0.355 18.666 19.000 0.035 0.000 0.827 669 A HN 0.662 nan 8.150 nan 0.000 0.457 670 Q N 0.030 119.841 119.800 0.019 0.000 2.421 670 Q HA 0.347 4.681 4.340 -0.011 0.000 0.255 670 Q C 0.241 176.249 176.000 0.012 0.000 1.013 670 Q CA 0.930 56.741 55.803 0.013 0.000 0.895 670 Q CB -0.150 28.593 28.738 0.007 0.000 1.271 670 Q HN 0.249 nan 8.270 nan 0.000 0.460 671 T N -2.671 111.889 114.554 0.010 0.000 3.132 671 T HA 0.261 4.604 4.350 -0.011 0.000 0.274 671 T C 0.495 175.199 174.700 0.006 0.000 1.011 671 T CA -0.153 61.952 62.100 0.009 0.000 0.899 671 T CB 0.145 69.018 68.868 0.008 0.000 1.089 671 T HN 0.512 nan 8.240 nan 0.000 0.543 672 E N 1.856 122.059 120.200 0.005 0.000 2.158 672 E HA 0.072 4.415 4.350 -0.011 0.000 0.191 672 E C 0.449 177.051 176.600 0.003 0.000 0.982 672 E CA 0.770 57.172 56.400 0.003 0.000 0.823 672 E CB 0.165 29.866 29.700 0.002 0.000 0.766 672 E HN 0.508 nan 8.360 nan 0.000 0.468 673 D N -1.197 119.205 120.400 0.004 0.000 2.421 673 D HA 0.265 4.898 4.640 -0.011 0.000 0.254 673 D C 0.248 176.554 176.300 0.009 0.000 1.238 673 D CA -0.086 53.917 54.000 0.004 0.000 0.919 673 D CB 1.238 42.040 40.800 0.003 0.000 1.152 673 D HN 0.015 nan 8.370 nan 0.000 0.552 674 A N 3.699 126.522 122.820 0.005 0.000 1.972 674 A HA -0.173 4.140 4.320 -0.011 0.000 0.219 674 A C 1.663 179.248 177.584 0.002 0.000 1.169 674 A CA 1.293 53.333 52.037 0.004 0.000 0.635 674 A CB -0.032 18.968 19.000 0.000 0.000 0.810 674 A HN 0.592 nan 8.150 nan 0.000 0.446 675 D N -0.038 120.361 120.400 -0.002 0.000 2.084 675 D HA -0.113 4.521 4.640 -0.011 0.000 0.196 675 D C 2.004 178.302 176.300 -0.003 0.000 0.985 675 D CA 1.240 55.233 54.000 -0.012 0.000 0.826 675 D CB -0.224 40.566 40.800 -0.017 0.000 0.978 675 D HN 0.430 nan 8.370 nan 0.000 0.456 676 L N 1.061 122.300 121.223 0.027 0.000 2.046 676 L HA -0.188 4.145 4.340 -0.011 0.000 0.208 676 L C 2.694 179.654 176.870 0.150 0.000 1.077 676 L CA 1.008 55.909 54.840 0.101 0.000 0.747 676 L CB -0.380 41.737 42.059 0.096 0.000 0.896 676 L HN -0.024 nan 8.230 nan 0.000 0.432 677 A N -0.033 122.834 122.820 0.078 0.000 1.908 677 A HA -0.237 4.077 4.320 -0.011 0.000 0.218 677 A C 2.492 180.106 177.584 0.051 0.000 1.181 677 A CA 1.937 54.017 52.037 0.071 0.000 0.627 677 A CB -0.728 18.293 19.000 0.035 0.000 0.818 677 A HN 0.436 nan 8.150 nan 0.000 0.445 678 A N -1.367 121.459 122.820 0.009 0.000 1.930 678 A HA -0.036 4.277 4.320 -0.011 0.000 0.217 678 A C 2.269 179.806 177.584 -0.079 0.000 1.175 678 A CA 2.150 54.171 52.037 -0.027 0.000 0.627 678 A CB -1.078 17.901 19.000 -0.035 0.000 0.815 678 A HN 0.431 nan 8.150 nan 0.000 0.443 679 T N -0.955 113.525 114.554 -0.124 0.000 2.821 679 T HA -0.031 4.312 4.350 -0.011 0.000 0.267 679 T C 1.243 175.653 174.700 -0.483 0.000 1.046 679 T CA 1.355 63.263 62.100 -0.320 0.000 1.139 679 T CB -0.348 68.258 68.868 -0.437 0.000 0.871 679 T HN 0.461 nan 8.240 nan 0.000 0.454 680 F N 0.879 120.724 119.950 -0.174 0.000 2.754 680 F HA 0.395 4.916 4.527 -0.010 0.000 0.297 680 F C 2.330 178.063 175.800 -0.112 0.000 1.122 680 F CA -0.110 57.775 58.000 -0.193 0.000 1.400 680 F CB -0.349 38.512 39.000 -0.231 0.000 1.117 680 F HN 0.084 nan 8.300 nan 0.000 0.587 681 A N 1.618 124.465 122.820 0.045 0.000 1.883 681 A HA -0.157 4.157 4.320 -0.011 0.000 0.217 681 A C -0.037 177.554 177.584 0.011 0.000 1.186 681 A CA 1.764 53.821 52.037 0.034 0.000 0.624 681 A CB -2.012 16.996 19.000 0.013 0.000 0.822 681 A HN 0.196 nan 8.150 nan 0.000 0.444 682 P HA -0.046 nan 4.420 nan 0.000 0.219 682 P C 1.543 178.828 177.300 -0.026 0.000 1.150 682 P CA 1.293 64.371 63.100 -0.036 0.000 0.814 682 P CB -0.151 31.507 31.700 -0.070 0.000 0.787 683 V N 1.191 121.076 119.914 -0.048 0.000 2.307 683 V HA -0.183 3.931 4.120 -0.011 0.000 0.245 683 V C 2.928 179.062 176.094 0.067 0.000 1.045 683 V CA 2.184 64.476 62.300 -0.013 0.000 1.024 683 V CB -1.736 30.043 31.823 -0.072 0.000 0.651 683 V HN 0.087 nan 8.190 nan 0.000 0.449 684 A N -0.481 122.393 122.820 0.091 0.000 1.902 684 A HA -0.249 4.064 4.320 -0.011 0.000 0.217 684 A C 2.300 179.933 177.584 0.081 0.000 1.181 684 A CA 1.883 53.983 52.037 0.104 0.000 0.623 684 A CB -0.534 18.533 19.000 0.112 0.000 0.818 684 A HN 0.489 nan 8.150 nan 0.000 0.443 685 E N 0.262 120.499 120.200 0.061 0.000 2.049 685 E HA -0.207 4.136 4.350 -0.011 0.000 0.198 685 E C 2.306 178.938 176.600 0.053 0.000 1.007 685 E CA 1.567 57.998 56.400 0.051 0.000 0.809 685 E CB -0.477 29.242 29.700 0.031 0.000 0.749 685 E HN 0.474 nan 8.360 nan 0.000 0.450 686 A N 0.948 123.798 122.820 0.049 0.000 1.902 686 A HA -0.140 4.174 4.320 -0.011 0.000 0.217 686 A C 2.512 180.145 177.584 0.082 0.000 1.181 686 A CA 1.345 53.415 52.037 0.055 0.000 0.623 686 A CB -0.717 18.312 19.000 0.049 0.000 0.818 686 A HN 0.298 nan 8.150 nan 0.000 0.443 687 L N -0.697 120.587 121.223 0.102 0.000 2.141 687 L HA -0.161 4.172 4.340 -0.011 0.000 0.209 687 L C 2.445 179.377 176.870 0.104 0.000 1.094 687 L CA 1.438 56.355 54.840 0.127 0.000 0.763 687 L CB -0.488 41.613 42.059 0.069 0.000 0.908 687 L HN 0.496 nan 8.230 nan 0.000 0.437 688 N N -0.330 118.422 118.700 0.087 0.000 2.135 688 N HA -0.174 4.560 4.740 -0.011 0.000 0.186 688 N C 1.938 177.502 175.510 0.090 0.000 1.027 688 N CA 1.855 54.965 53.050 0.101 0.000 0.849 688 N CB -0.014 38.536 38.487 0.105 0.000 1.002 688 N HN 0.317 nan 8.380 nan 0.000 0.425 689 T N -3.516 111.079 114.554 0.068 0.000 2.867 689 T HA 0.030 4.374 4.350 -0.011 0.000 0.268 689 T C 1.800 176.520 174.700 0.035 0.000 1.057 689 T CA 1.174 63.305 62.100 0.052 0.000 1.136 689 T CB -0.665 68.227 68.868 0.039 0.000 0.874 689 T HN 0.174 nan 8.240 nan 0.000 0.466 690 G N -0.087 108.729 108.800 0.025 0.000 3.088 690 G HA2 0.480 4.433 3.960 -0.011 0.000 0.217 690 G HA3 0.480 4.433 3.960 -0.011 0.000 0.217 690 G C 1.629 176.468 174.900 -0.102 0.000 1.159 690 G CA 0.435 45.520 45.100 -0.024 0.000 0.760 690 G HN 0.661 nan 8.290 nan 0.000 0.550 691 A N 1.535 124.335 122.820 -0.034 0.000 1.892 691 A HA 0.087 4.401 4.320 -0.011 0.000 0.218 691 A C 2.790 180.279 177.584 -0.158 0.000 1.188 691 A CA 2.406 54.382 52.037 -0.102 0.000 0.631 691 A CB -0.811 18.238 19.000 0.081 0.000 0.822 691 A HN 0.750 nan 8.150 nan 0.000 0.447 692 A N -0.331 122.488 122.820 -0.003 0.000 1.908 692 A HA -0.202 4.112 4.320 -0.011 0.000 0.218 692 A C 1.813 179.363 177.584 -0.058 0.000 1.181 692 A CA 1.980 54.033 52.037 0.027 0.000 0.627 692 A CB -0.590 18.443 19.000 0.054 0.000 0.818 692 A HN 0.490 nan 8.150 nan 0.000 0.445 693 D N -0.185 120.158 120.400 -0.095 0.000 2.149 693 D HA -0.053 4.581 4.640 -0.011 0.000 0.201 693 D C 1.900 178.083 176.300 -0.195 0.000 0.972 693 D CA 0.991 54.925 54.000 -0.109 0.000 0.835 693 D CB -0.289 40.463 40.800 -0.079 0.000 0.966 693 D HN 0.524 nan 8.370 nan 0.000 0.476 694 I N 1.056 121.411 120.570 -0.358 0.000 2.202 694 I HA -0.208 3.956 4.170 -0.011 0.000 0.242 694 I C 2.246 178.024 176.117 -0.565 0.000 1.091 694 I CA 1.045 62.009 61.300 -0.560 0.000 1.368 694 I CB -0.151 37.208 38.000 -1.068 0.000 1.058 694 I HN -0.047 nan 8.210 nan 0.000 0.410 695 D N 1.369 121.429 120.400 -0.567 0.000 2.149 695 D HA -0.196 4.438 4.640 -0.011 0.000 0.198 695 D C 2.147 178.396 176.300 -0.085 0.000 0.990 695 D CA 1.653 55.502 54.000 -0.252 0.000 0.839 695 D CB 0.277 41.121 40.800 0.073 0.000 0.948 695 D HN 0.344 nan 8.370 nan 0.000 0.460 696 A N 0.998 123.771 122.820 -0.078 0.000 1.898 696 A HA 0.062 4.376 4.320 -0.011 0.000 0.216 696 A C 2.462 180.020 177.584 -0.043 0.000 1.181 696 A CA 2.040 54.058 52.037 -0.032 0.000 0.620 696 A CB -0.803 18.183 19.000 -0.024 0.000 0.819 696 A HN 0.322 nan 8.150 nan 0.000 0.442 697 A N -0.263 122.510 122.820 -0.079 0.000 1.933 697 A HA -0.036 4.278 4.320 -0.011 0.000 0.218 697 A C 2.039 179.594 177.584 -0.047 0.000 1.175 697 A CA 1.447 53.447 52.037 -0.061 0.000 0.628 697 A CB -0.577 18.376 19.000 -0.079 0.000 0.814 697 A HN 0.470 nan 8.150 nan 0.000 0.444 698 L N -0.842 120.338 121.223 -0.072 0.000 2.465 698 L HA -0.012 4.322 4.340 -0.011 0.000 0.224 698 L C 2.046 178.921 176.870 0.008 0.000 1.145 698 L CA 0.320 55.140 54.840 -0.034 0.000 0.834 698 L CB -0.208 41.814 42.059 -0.062 0.000 0.944 698 L HN 0.382 nan 8.230 nan 0.000 0.451 699 L N -1.312 119.919 121.223 0.012 0.000 2.357 699 L HA 0.097 4.430 4.340 -0.011 0.000 0.211 699 L C 2.730 179.618 176.870 0.030 0.000 1.075 699 L CA 0.519 55.382 54.840 0.038 0.000 0.830 699 L CB -0.375 41.709 42.059 0.041 0.000 0.996 699 L HN 0.143 nan 8.230 nan 0.000 0.467 700 A N 0.532 123.360 122.820 0.013 0.000 1.933 700 A HA -0.163 4.150 4.320 -0.011 0.000 0.218 700 A C 2.255 179.847 177.584 0.014 0.000 1.175 700 A CA 1.790 53.833 52.037 0.010 0.000 0.628 700 A CB -0.841 18.160 19.000 0.000 0.000 0.814 700 A HN 0.295 nan 8.150 nan 0.000 0.444 701 V N -1.769 118.153 119.914 0.014 0.000 2.720 701 V HA -0.171 3.943 4.120 -0.011 0.000 0.256 701 V C 0.899 177.008 176.094 0.026 0.000 1.082 701 V CA 1.151 63.461 62.300 0.017 0.000 1.101 701 V CB -1.320 30.512 31.823 0.016 0.000 0.693 701 V HN 0.637 nan 8.190 nan 0.000 0.479 702 Q N 0.387 120.211 119.800 0.039 0.000 2.368 702 Q HA 0.531 4.865 4.340 -0.011 0.000 0.237 702 Q C 1.148 177.172 176.000 0.041 0.000 0.987 702 Q CA 0.522 56.359 55.803 0.058 0.000 0.896 702 Q CB 1.095 29.893 28.738 0.100 0.000 1.241 702 Q HN 0.530 nan 8.270 nan 0.000 0.485 703 G N 0.060 108.884 108.800 0.040 0.000 3.330 703 G HA2 -0.125 3.829 3.960 -0.011 0.000 0.197 703 G HA3 -0.125 3.829 3.960 -0.011 0.000 0.197 703 G C 0.179 175.091 174.900 0.019 0.000 1.284 703 G CA -0.377 44.737 45.100 0.023 0.000 0.921 703 G HN 0.877 nan 8.290 nan 0.000 0.466 704 G N 0.297 109.109 108.800 0.018 0.000 2.667 704 G HA2 0.785 4.739 3.960 -0.011 0.000 0.310 704 G HA3 0.785 4.739 3.960 -0.011 0.000 0.310 704 G C 0.381 175.291 174.900 0.016 0.000 1.259 704 G CA 0.469 45.577 45.100 0.014 0.000 1.019 704 G HN 1.531 nan 8.290 nan 0.000 0.496 705 A N -0.480 122.347 122.820 0.012 0.000 2.555 705 A HA 0.517 4.831 4.320 -0.011 0.000 0.233 705 A C 0.470 178.059 177.584 0.009 0.000 1.060 705 A CA 0.644 52.688 52.037 0.012 0.000 0.759 705 A CB -0.121 18.884 19.000 0.009 0.000 0.995 705 A HN 0.713 nan 8.150 nan 0.000 0.506 706 T N 1.344 115.902 114.554 0.008 0.000 2.893 706 T HA 0.482 4.826 4.350 -0.011 0.000 0.293 706 T C -1.286 173.412 174.700 -0.003 0.000 1.027 706 T CA -0.366 61.734 62.100 0.000 0.000 0.988 706 T CB 1.520 70.386 68.868 -0.003 0.000 1.043 706 T HN 0.722 nan 8.240 nan 0.000 0.461 707 D N 2.217 122.612 120.400 -0.009 0.000 2.414 707 D HA 0.330 4.963 4.640 -0.011 0.000 0.232 707 D C 0.648 176.932 176.300 -0.027 0.000 1.070 707 D CA -0.643 53.351 54.000 -0.010 0.000 0.839 707 D CB 0.724 41.521 40.800 -0.006 0.000 1.079 707 D HN 0.354 nan 8.370 nan 0.000 0.521 708 L N 3.122 124.323 121.223 -0.035 0.000 2.558 708 L HA 0.269 4.602 4.340 -0.011 0.000 0.225 708 L C 1.772 178.609 176.870 -0.056 0.000 1.128 708 L CA 0.350 55.148 54.840 -0.070 0.000 0.868 708 L CB -0.154 41.842 42.059 -0.105 0.000 1.006 708 L HN 0.779 nan 8.230 nan 0.000 0.454 709 G N 0.049 108.836 108.800 -0.022 0.000 2.153 709 G HA2 -0.103 3.851 3.960 -0.011 0.000 0.252 709 G HA3 -0.103 3.851 3.960 -0.011 0.000 0.252 709 G C 0.446 175.352 174.900 0.010 0.000 0.994 709 G CA 0.125 45.222 45.100 -0.005 0.000 0.698 709 G HN 0.781 nan 8.290 nan 0.000 0.521 710 G N -2.569 106.239 108.800 0.013 0.000 2.345 710 G HA2 0.535 4.489 3.960 -0.011 0.000 0.285 710 G HA3 0.535 4.489 3.960 -0.011 0.000 0.285 710 G C -0.404 174.523 174.900 0.044 0.000 1.297 710 G CA 0.227 45.355 45.100 0.046 0.000 0.875 710 G HN 1.070 nan 8.290 nan 0.000 0.506 711 Y N -1.605 118.635 120.300 -0.100 0.000 3.199 711 Y HA 0.359 4.903 4.550 -0.011 0.000 0.211 711 Y C 2.378 178.085 175.900 -0.323 0.000 0.959 711 Y CA 0.756 58.701 58.100 -0.258 0.000 1.528 711 Y CB 0.067 38.295 38.460 -0.386 0.000 1.487 711 Y HN 0.423 nan 8.280 nan 0.000 0.403 712 Y N -0.828 119.564 120.300 0.154 0.000 2.475 712 Y HA 0.181 4.725 4.550 -0.011 0.000 0.289 712 Y C 1.218 177.114 175.900 -0.007 0.000 1.121 712 Y CA 1.049 59.183 58.100 0.057 0.000 1.257 712 Y CB 0.511 39.034 38.460 0.104 0.000 1.026 712 Y HN 0.028 nan 8.280 nan 0.000 0.555 713 S N 1.669 117.447 115.700 0.130 0.000 2.204 713 S HA 0.282 4.745 4.470 -0.011 0.000 0.178 713 S C -2.728 171.894 174.600 0.036 0.000 1.493 713 S CA -1.671 56.574 58.200 0.075 0.000 1.266 713 S CB -0.164 63.096 63.200 0.099 0.000 1.232 713 S HN -0.075 nan 8.310 nan 0.000 0.406 714 P HA 0.054 nan 4.420 nan 0.000 0.271 714 P C -0.539 176.734 177.300 -0.045 0.000 1.233 714 P CA -0.378 62.678 63.100 -0.073 0.000 0.789 714 P CB 0.457 32.050 31.700 -0.177 0.000 0.951 715 N N 1.232 119.904 118.700 -0.046 0.000 2.430 715 N HA -0.048 4.685 4.740 -0.011 0.000 0.265 715 N C 1.067 176.550 175.510 -0.046 0.000 1.100 715 N CA -0.021 53.017 53.050 -0.020 0.000 0.961 715 N CB 0.683 39.164 38.487 -0.010 0.000 1.075 715 N HN 0.320 nan 8.380 nan 0.000 0.478 716 E N 3.582 123.788 120.200 0.010 0.000 2.086 716 E HA -0.250 4.094 4.350 -0.011 0.000 0.200 716 E C 0.850 177.481 176.600 0.051 0.000 1.012 716 E CA 1.984 58.422 56.400 0.063 0.000 0.812 716 E CB 0.146 29.915 29.700 0.116 0.000 0.743 716 E HN 0.683 nan 8.360 nan 0.000 0.453 717 E N 0.123 120.342 120.200 0.032 0.000 2.072 717 E HA -0.097 4.247 4.350 -0.011 0.000 0.191 717 E C 1.982 178.581 176.600 -0.001 0.000 0.985 717 E CA 1.207 57.622 56.400 0.026 0.000 0.801 717 E CB -0.071 29.641 29.700 0.020 0.000 0.750 717 E HN 0.225 nan 8.360 nan 0.000 0.452 718 K N 0.167 120.551 120.400 -0.028 0.000 2.057 718 K HA -0.026 4.287 4.320 -0.011 0.000 0.206 718 K C 2.120 178.669 176.600 -0.085 0.000 1.050 718 K CA 0.780 57.039 56.287 -0.046 0.000 0.935 718 K CB -0.146 32.325 32.500 -0.049 0.000 0.715 718 K HN 0.094 nan 8.250 nan 0.000 0.439 719 L N 0.668 121.791 121.223 -0.167 0.000 2.017 719 L HA -0.208 4.126 4.340 -0.011 0.000 0.208 719 L C 2.387 179.162 176.870 -0.158 0.000 1.073 719 L CA 1.448 56.098 54.840 -0.317 0.000 0.745 719 L CB -0.800 40.778 42.059 -0.802 0.000 0.894 719 L HN 0.264 nan 8.230 nan 0.000 0.432 720 T N -0.781 113.773 114.554 0.001 0.000 2.708 720 T HA -0.212 4.131 4.350 -0.011 0.000 0.266 720 T C 1.663 176.401 174.700 0.063 0.000 1.037 720 T CA 1.867 64.054 62.100 0.145 0.000 1.146 720 T CB -0.355 68.607 68.868 0.156 0.000 0.865 720 T HN 0.280 nan 8.240 nan 0.000 0.435 721 N N 0.668 119.383 118.700 0.025 0.000 2.166 721 N HA 0.002 4.736 4.740 -0.011 0.000 0.186 721 N C 1.674 177.190 175.510 0.010 0.000 1.019 721 N CA 1.016 54.074 53.050 0.015 0.000 0.856 721 N CB -0.295 38.194 38.487 0.004 0.000 0.993 721 N HN 0.390 nan 8.380 nan 0.000 0.426 722 I N -0.431 120.134 120.570 -0.007 0.000 2.286 722 I HA -0.154 4.009 4.170 -0.011 0.000 0.245 722 I C 1.558 177.682 176.117 0.011 0.000 1.104 722 I CA 0.723 62.017 61.300 -0.010 0.000 1.397 722 I CB -0.097 37.878 38.000 -0.041 0.000 1.072 722 I HN 0.198 nan 8.210 nan 0.000 0.417 723 M N 0.149 119.764 119.600 0.026 0.000 2.506 723 M HA 0.040 4.514 4.480 -0.011 0.000 0.260 723 M C 0.661 177.022 176.300 0.101 0.000 1.104 723 M CA 1.175 56.518 55.300 0.072 0.000 1.112 723 M CB -0.605 32.065 32.600 0.117 0.000 1.401 723 M HN 0.122 nan 8.290 nan 0.000 0.473 724 R N 0.724 121.271 120.500 0.079 0.000 2.738 724 R HA 0.224 4.558 4.340 -0.011 0.000 0.280 724 R C -1.853 174.478 176.300 0.053 0.000 1.456 724 R CA -0.861 55.279 56.100 0.067 0.000 1.612 724 R CB 0.447 30.765 30.300 0.030 0.000 1.286 724 R HN 0.046 nan 8.270 nan 0.000 0.660 725 P HA -0.015 nan 4.420 nan 0.000 0.236 725 P C 0.237 177.562 177.300 0.040 0.000 1.177 725 P CA 0.590 63.714 63.100 0.040 0.000 0.773 725 P CB 0.481 32.200 31.700 0.032 0.000 0.878 726 V N 1.129 121.084 119.914 0.068 0.000 2.294 726 V HA 0.355 4.468 4.120 -0.011 0.000 0.272 726 V C 1.804 177.942 176.094 0.073 0.000 1.027 726 V CA -0.089 62.249 62.300 0.063 0.000 0.823 726 V CB 0.391 32.253 31.823 0.064 0.000 1.030 726 V HN -0.001 nan 8.190 nan 0.000 0.457 727 A N 3.328 126.170 122.820 0.036 0.000 1.948 727 A HA -0.246 4.068 4.320 -0.011 0.000 0.220 727 A C 2.075 179.684 177.584 0.041 0.000 1.177 727 A CA 2.189 54.241 52.037 0.025 0.000 0.636 727 A CB -0.336 18.671 19.000 0.011 0.000 0.815 727 A HN 0.841 nan 8.150 nan 0.000 0.449 728 Q N -1.920 117.909 119.800 0.049 0.000 2.096 728 Q HA -0.207 4.127 4.340 -0.011 0.000 0.204 728 Q C 1.866 177.951 176.000 0.142 0.000 0.982 728 Q CA 1.928 57.766 55.803 0.058 0.000 0.850 728 Q CB -0.257 28.492 28.738 0.018 0.000 0.901 728 Q HN 0.659 nan 8.270 nan 0.000 0.422 729 F N 1.630 121.562 119.950 -0.031 0.000 2.098 729 F HA -0.101 4.419 4.527 -0.011 0.000 0.294 729 F C 1.742 177.564 175.800 0.038 0.000 1.107 729 F CA 1.388 59.398 58.000 0.016 0.000 1.234 729 F CB -0.720 38.281 39.000 0.002 0.000 1.002 729 F HN 0.146 nan 8.300 nan 0.000 0.472 730 N N 0.783 119.444 118.700 -0.064 0.000 2.137 730 N HA -0.222 4.512 4.740 -0.011 0.000 0.190 730 N C 1.782 177.232 175.510 -0.101 0.000 1.017 730 N CA 1.554 54.494 53.050 -0.183 0.000 0.859 730 N CB -0.639 37.789 38.487 -0.098 0.000 1.002 730 N HN 0.353 nan 8.380 nan 0.000 0.428 731 E N 1.055 121.239 120.200 -0.026 0.000 2.150 731 E HA 0.035 4.379 4.350 -0.011 0.000 0.193 731 E C 1.946 178.538 176.600 -0.012 0.000 0.985 731 E CA 0.528 56.917 56.400 -0.018 0.000 0.814 731 E CB -0.236 29.463 29.700 -0.001 0.000 0.752 731 E HN 0.388 nan 8.360 nan 0.000 0.466 732 I N -0.566 120.022 120.570 0.031 0.000 2.252 732 I HA -0.225 3.939 4.170 -0.011 0.000 0.245 732 I C 2.132 178.249 176.117 0.001 0.000 1.102 732 I CA 0.688 62.016 61.300 0.046 0.000 1.385 732 I CB -0.217 37.875 38.000 0.154 0.000 1.064 732 I HN 0.015 nan 8.210 nan 0.000 0.414 733 V N 0.902 120.797 119.914 -0.031 0.000 2.295 733 V HA -0.279 3.835 4.120 -0.011 0.000 0.246 733 V C 2.048 178.096 176.094 -0.076 0.000 1.049 733 V CA 1.978 64.242 62.300 -0.060 0.000 1.024 733 V CB -0.691 31.018 31.823 -0.190 0.000 0.648 733 V HN 0.398 nan 8.190 nan 0.000 0.447 734 D N 0.613 120.961 120.400 -0.085 0.000 2.178 734 D HA -0.120 4.513 4.640 -0.011 0.000 0.201 734 D C 2.175 178.430 176.300 -0.076 0.000 0.980 734 D CA 1.560 55.514 54.000 -0.076 0.000 0.842 734 D CB -0.287 40.473 40.800 -0.067 0.000 0.948 734 D HN 0.465 nan 8.370 nan 0.000 0.472 735 A N 0.753 123.528 122.820 -0.076 0.000 2.015 735 A HA -0.050 4.264 4.320 -0.011 0.000 0.219 735 A C 1.490 179.000 177.584 -0.124 0.000 1.163 735 A CA 0.264 52.249 52.037 -0.086 0.000 0.646 735 A CB -0.433 18.522 19.000 -0.075 0.000 0.806 735 A HN 0.193 nan 8.150 nan 0.000 0.448 736 L N 0.000 121.131 121.223 -0.154 0.000 2.949 736 L HA 0.000 4.334 4.340 -0.011 0.000 0.249 736 L CA 0.000 54.699 54.840 -0.236 0.000 0.813 736 L CB 0.000 41.885 42.059 -0.291 0.000 0.961 736 L HN 0.000 nan 8.230 nan 0.000 0.502