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 1ehk_1_A DATA FIRST_RESID 14 DATA SEQUENCE AYPEKKATLY FLVLGFLALI VGSLFGPFQA LNYGNVDAYP LLKRLLPFVQ DATA SEQUENCE SYYQGLTLHG VLNAIVFTQL FAQAIMVYLP ARELNMRPNM GLMWLSWWMA DATA SEQUENCE FIGLVVAALP LLANEATVLY TFYPPLKGHW AFYLGASVFV LSTWVSIYIV DATA SEQUENCE LDLWRRWKAA NPGKVTPLVT YMAVVFWLMW FLASLGLVLE AVLFLLPWSF DATA SEQUENCE GLVEGVDPLV ARTLFWWTGH PIVYFWLLPA YAIIYTILPK QAGGKLVSDP DATA SEQUENCE MARLAFLLFL LLSTPVGFHH QFADPGIDPT WKMIHSVLTL FVAVPSLMTA DATA SEQUENCE FTVAASLEFA GRLRGGRGLF GWIRALPWDN PAFVAPVLGL LGFIPGGAGG DATA SEQUENCE IVNASFTLDY VVHNTAWVPG HFHLQVASLV TLTAMGSLYW LLPNLTGKPI DATA SEQUENCE SDAQRRLGLA VVWLWFLGMM IMAVGLHWAG LLNVPRRAYI AQVPDAYPHA DATA SEQUENCE AVPMVFNVLA GIVLLVALLL FIYGLFSVLL SRXXXXXLAE APLPFAEVIS DATA SEQUENCE GPEDRRLVLA MDRIGFWFAV AAILVVLAYG PTLVQLFGHL NPVPGWRLW 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 14 A HA 0.000 nan 4.320 nan 0.000 0.244 14 A C 0.000 177.530 177.584 -0.091 0.000 1.274 14 A CA 0.000 52.081 52.037 0.073 0.000 0.836 14 A CB 0.000 19.183 19.000 0.305 0.000 0.831 15 Y N 1.367 121.706 120.300 0.065 0.000 2.495 15 Y HA 0.356 4.905 4.550 -0.001 0.000 0.362 15 Y C -1.924 174.025 175.900 0.083 0.000 0.956 15 Y CA -1.767 56.384 58.100 0.085 0.000 1.127 15 Y CB 0.795 39.316 38.460 0.101 0.000 1.173 15 Y HN 0.301 nan 8.280 nan 0.000 0.639 16 P HA -0.178 nan 4.420 nan 0.000 0.228 16 P C 0.847 178.218 177.300 0.118 0.000 1.151 16 P CA 1.270 64.457 63.100 0.146 0.000 0.770 16 P CB 0.477 32.265 31.700 0.147 0.000 0.786 17 E N 1.307 121.585 120.200 0.130 0.000 2.268 17 E HA -0.149 4.200 4.350 -0.001 0.000 0.195 17 E C 1.589 178.203 176.600 0.023 0.000 0.995 17 E CA 0.815 57.273 56.400 0.097 0.000 0.836 17 E CB -0.560 29.272 29.700 0.220 0.000 0.763 17 E HN 0.309 nan 8.360 nan 0.000 0.491 18 K N 1.230 121.664 120.400 0.057 0.000 2.026 18 K HA -0.129 4.190 4.320 -0.001 0.000 0.208 18 K C 2.328 178.819 176.600 -0.182 0.000 1.048 18 K CA 1.499 57.708 56.287 -0.130 0.000 0.929 18 K CB -0.148 32.340 32.500 -0.021 0.000 0.713 18 K HN 0.037 nan 8.250 nan 0.000 0.439 19 K N 0.960 121.293 120.400 -0.112 0.000 2.020 19 K HA -0.196 4.123 4.320 -0.001 0.000 0.212 19 K C 2.178 178.561 176.600 -0.362 0.000 1.050 19 K CA 1.567 57.742 56.287 -0.187 0.000 0.929 19 K CB -0.202 32.248 32.500 -0.083 0.000 0.714 19 K HN 0.141 nan 8.250 nan 0.000 0.443 20 A N 0.485 123.030 122.820 -0.458 0.000 1.908 20 A HA -0.173 4.146 4.320 -0.001 0.000 0.218 20 A C 2.216 179.625 177.584 -0.291 0.000 1.181 20 A CA 2.362 53.881 52.037 -0.864 0.000 0.627 20 A CB -1.125 17.240 19.000 -1.058 0.000 0.818 20 A HN 0.504 nan 8.150 nan 0.000 0.445 21 T N -0.050 114.381 114.554 -0.205 0.000 2.746 21 T HA -0.138 4.212 4.350 -0.001 0.000 0.267 21 T C 1.828 176.489 174.700 -0.066 0.000 1.039 21 T CA 1.509 63.528 62.100 -0.135 0.000 1.142 21 T CB -0.373 68.218 68.868 -0.461 0.000 0.866 21 T HN 0.324 nan 8.240 nan 0.000 0.444 22 L N 0.173 121.323 121.223 -0.120 0.000 2.046 22 L HA -0.038 4.302 4.340 -0.001 0.000 0.208 22 L C 2.034 178.993 176.870 0.148 0.000 1.077 22 L CA 1.645 56.480 54.840 -0.009 0.000 0.747 22 L CB -0.733 41.323 42.059 -0.005 0.000 0.896 22 L HN 0.407 nan 8.230 nan 0.000 0.432 23 Y N -2.228 117.943 120.300 -0.215 0.000 2.293 23 Y HA -0.263 4.287 4.550 -0.000 0.000 0.291 23 Y C 2.208 178.128 175.900 0.034 0.000 1.137 23 Y CA 0.758 58.664 58.100 -0.323 0.000 1.202 23 Y CB -0.141 37.699 38.460 -1.033 0.000 0.990 23 Y HN 0.165 nan 8.280 nan 0.000 0.537 24 F N -0.366 119.728 119.950 0.241 0.000 2.113 24 F HA -0.235 4.292 4.527 -0.001 0.000 0.297 24 F C 2.187 178.075 175.800 0.147 0.000 1.103 24 F CA 1.205 59.393 58.000 0.313 0.000 1.248 24 F CB -0.540 38.551 39.000 0.151 0.000 0.999 24 F HN -0.062 nan 8.300 nan 0.000 0.475 25 L N -0.621 120.734 121.223 0.219 0.000 1.989 25 L HA -0.255 4.085 4.340 -0.001 0.000 0.211 25 L C 2.350 179.246 176.870 0.043 0.000 1.071 25 L CA 1.102 55.963 54.840 0.035 0.000 0.749 25 L CB -0.717 41.358 42.059 0.026 0.000 0.890 25 L HN -0.022 nan 8.230 nan 0.000 0.431 26 V N -0.280 119.720 119.914 0.142 0.000 2.295 26 V HA -0.302 3.818 4.120 -0.001 0.000 0.246 26 V C 2.346 178.535 176.094 0.158 0.000 1.049 26 V CA 1.661 64.051 62.300 0.151 0.000 1.024 26 V CB -0.482 31.353 31.823 0.020 0.000 0.648 26 V HN 0.345 nan 8.190 nan 0.000 0.447 27 L N 1.321 122.653 121.223 0.182 0.000 2.127 27 L HA -0.054 4.285 4.340 -0.001 0.000 0.211 27 L C 2.247 179.242 176.870 0.209 0.000 1.089 27 L CA 2.351 57.320 54.840 0.216 0.000 0.757 27 L CB -1.195 41.042 42.059 0.297 0.000 0.899 27 L HN 0.275 nan 8.230 nan 0.000 0.434 28 G N -1.357 107.563 108.800 0.201 0.000 2.394 28 G HA2 -0.248 3.711 3.960 -0.001 0.000 0.214 28 G HA3 -0.248 3.711 3.960 -0.001 0.000 0.214 28 G C 1.552 176.632 174.900 0.299 0.000 1.176 28 G CA 0.760 46.005 45.100 0.241 0.000 0.786 28 G HN 0.452 nan 8.290 nan 0.000 0.533 29 F N 0.497 120.599 119.950 0.253 0.000 2.234 29 F HA 0.071 4.597 4.527 -0.001 0.000 0.299 29 F C 2.556 178.403 175.800 0.078 0.000 1.087 29 F CA 0.189 58.256 58.000 0.111 0.000 1.340 29 F CB -0.026 39.024 39.000 0.084 0.000 1.031 29 F HN 0.033 nan 8.300 nan 0.000 0.500 30 L N -0.520 120.861 121.223 0.263 0.000 2.093 30 L HA -0.174 4.166 4.340 -0.001 0.000 0.208 30 L C 2.731 179.704 176.870 0.172 0.000 1.085 30 L CA 0.953 55.913 54.840 0.199 0.000 0.755 30 L CB -0.886 41.273 42.059 0.165 0.000 0.904 30 L HN 0.104 nan 8.230 nan 0.000 0.435 31 A N -0.036 122.880 122.820 0.161 0.000 1.969 31 A HA -0.188 4.132 4.320 -0.001 0.000 0.218 31 A C 2.186 179.820 177.584 0.084 0.000 1.169 31 A CA 1.296 53.404 52.037 0.118 0.000 0.635 31 A CB -0.503 18.575 19.000 0.130 0.000 0.810 31 A HN 0.321 nan 8.150 nan 0.000 0.445 32 L N -0.071 121.169 121.223 0.028 0.000 2.093 32 L HA -0.054 4.286 4.340 -0.001 0.000 0.208 32 L C 2.143 179.024 176.870 0.018 0.000 1.085 32 L CA 1.557 56.295 54.840 -0.171 0.000 0.755 32 L CB -0.412 41.300 42.059 -0.579 0.000 0.904 32 L HN 0.427 nan 8.230 nan 0.000 0.435 33 I N -1.668 118.990 120.570 0.147 0.000 2.163 33 I HA -0.270 3.900 4.170 -0.001 0.000 0.240 33 I C 2.303 178.529 176.117 0.181 0.000 1.081 33 I CA 1.354 62.784 61.300 0.217 0.000 1.353 33 I CB -0.399 37.760 38.000 0.266 0.000 1.054 33 I HN 0.066 nan 8.210 nan 0.000 0.407 34 V N 1.096 121.112 119.914 0.170 0.000 2.261 34 V HA -0.236 3.883 4.120 -0.001 0.000 0.246 34 V C 2.626 178.890 176.094 0.284 0.000 1.047 34 V CA 2.278 64.692 62.300 0.190 0.000 1.015 34 V CB -1.667 30.262 31.823 0.177 0.000 0.642 34 V HN 0.583 nan 8.190 nan 0.000 0.446 35 G N -0.430 108.513 108.800 0.237 0.000 2.446 35 G HA2 -0.257 3.702 3.960 -0.001 0.000 0.217 35 G HA3 -0.257 3.702 3.960 -0.001 0.000 0.217 35 G C 1.760 176.919 174.900 0.431 0.000 1.168 35 G CA 1.253 46.517 45.100 0.275 0.000 0.771 35 G HN 0.523 nan 8.290 nan 0.000 0.551 36 S N 0.460 116.333 115.700 0.288 0.000 2.507 36 S HA 0.070 4.539 4.470 -0.001 0.000 0.235 36 S C 2.192 176.964 174.600 0.288 0.000 0.988 36 S CA 0.278 58.691 58.200 0.354 0.000 0.944 36 S CB -0.133 63.246 63.200 0.298 0.000 0.762 36 S HN 0.336 nan 8.310 nan 0.000 0.526 37 L N -0.185 121.146 121.223 0.180 0.000 2.131 37 L HA -0.102 4.237 4.340 -0.001 0.000 0.210 37 L C 1.683 178.519 176.870 -0.057 0.000 1.092 37 L CA 1.311 56.139 54.840 -0.021 0.000 0.759 37 L CB -0.592 41.308 42.059 -0.266 0.000 0.903 37 L HN 0.322 nan 8.230 nan 0.000 0.435 38 F N -0.377 119.685 119.950 0.186 0.000 2.558 38 F HA 0.047 4.574 4.527 -0.001 0.000 0.298 38 F C 2.416 178.238 175.800 0.036 0.000 1.119 38 F CA 0.635 58.695 58.000 0.101 0.000 1.451 38 F CB -1.016 37.996 39.000 0.021 0.000 1.091 38 F HN -0.022 nan 8.300 nan 0.000 0.563 39 G N 1.517 110.406 108.800 0.148 0.000 2.514 39 G HA2 -0.230 3.730 3.960 -0.001 0.000 0.217 39 G HA3 -0.230 3.730 3.960 -0.001 0.000 0.217 39 G C -0.588 174.298 174.900 -0.024 0.000 1.198 39 G CA 0.892 45.969 45.100 -0.039 0.000 0.780 39 G HN 0.218 nan 8.290 nan 0.000 0.565 40 P HA -0.115 nan 4.420 nan 0.000 0.215 40 P C 1.471 178.662 177.300 -0.181 0.000 1.157 40 P CA 1.061 64.053 63.100 -0.180 0.000 0.874 40 P CB -0.218 31.295 31.700 -0.311 0.000 0.790 41 F N -0.637 119.245 119.950 -0.114 0.000 2.250 41 F HA -0.166 4.361 4.527 -0.001 0.000 0.301 41 F C 2.433 178.318 175.800 0.141 0.000 1.077 41 F CA 1.364 59.275 58.000 -0.149 0.000 1.348 41 F CB -1.111 37.560 39.000 -0.550 0.000 1.040 41 F HN 0.009 nan 8.300 nan 0.000 0.509 42 Q N -0.315 119.687 119.800 0.337 0.000 2.137 42 Q HA -0.028 4.311 4.340 -0.001 0.000 0.198 42 Q C 2.534 178.715 176.000 0.301 0.000 0.960 42 Q CA 1.016 57.062 55.803 0.405 0.000 0.847 42 Q CB -0.305 28.532 28.738 0.164 0.000 0.915 42 Q HN 0.422 nan 8.270 nan 0.000 0.448 43 A N 0.788 123.676 122.820 0.113 0.000 1.898 43 A HA -0.125 4.194 4.320 -0.001 0.000 0.216 43 A C 2.014 179.658 177.584 0.100 0.000 1.181 43 A CA 0.935 53.007 52.037 0.058 0.000 0.620 43 A CB -0.563 18.401 19.000 -0.059 0.000 0.819 43 A HN 0.269 nan 8.150 nan 0.000 0.442 44 L N -0.339 120.926 121.223 0.070 0.000 2.056 44 L HA -0.205 4.135 4.340 -0.001 0.000 0.207 44 L C 2.528 179.469 176.870 0.118 0.000 1.078 44 L CA 1.645 56.518 54.840 0.055 0.000 0.749 44 L CB -0.635 41.426 42.059 0.004 0.000 0.901 44 L HN 0.590 nan 8.230 nan 0.000 0.433 45 N N 0.046 118.878 118.700 0.221 0.000 2.104 45 N HA -0.269 4.471 4.740 -0.001 0.000 0.190 45 N C 1.601 177.091 175.510 -0.033 0.000 1.024 45 N CA 1.608 54.754 53.050 0.160 0.000 0.853 45 N CB -0.261 38.371 38.487 0.242 0.000 1.008 45 N HN 0.241 nan 8.380 nan 0.000 0.424 46 Y N -0.894 119.426 120.300 0.032 0.000 2.502 46 Y HA 0.285 4.835 4.550 -0.000 0.000 0.295 46 Y C 1.810 177.696 175.900 -0.023 0.000 1.193 46 Y CA 0.440 58.528 58.100 -0.019 0.000 1.295 46 Y CB 0.068 38.510 38.460 -0.031 0.000 1.059 46 Y HN 0.212 nan 8.280 nan 0.000 0.514 47 G N -1.042 107.791 108.800 0.056 0.000 3.453 47 G HA2 0.006 3.966 3.960 -0.001 0.000 0.263 47 G HA3 0.006 3.966 3.960 -0.001 0.000 0.263 47 G C 0.599 175.498 174.900 -0.001 0.000 1.060 47 G CA 0.115 45.234 45.100 0.032 0.000 0.793 47 G HN 0.477 nan 8.290 nan 0.000 0.532 48 N N -1.193 117.489 118.700 -0.031 0.000 2.778 48 N HA -0.201 4.538 4.740 -0.001 0.000 0.249 48 N C -0.395 175.109 175.510 -0.010 0.000 1.069 48 N CA 0.206 53.232 53.050 -0.040 0.000 0.831 48 N CB -0.623 37.846 38.487 -0.030 0.000 1.142 48 N HN 0.088 nan 8.380 nan 0.000 0.573 49 V N 1.547 121.473 119.914 0.021 0.000 2.348 49 V HA 0.153 4.272 4.120 -0.001 0.000 0.270 49 V C 0.219 176.380 176.094 0.112 0.000 1.037 49 V CA -0.393 61.933 62.300 0.043 0.000 0.872 49 V CB 1.396 33.234 31.823 0.025 0.000 1.002 49 V HN 0.121 nan 8.190 nan 0.000 0.464 50 D N 4.788 125.262 120.400 0.124 0.000 2.402 50 D HA 0.312 4.952 4.640 -0.001 0.000 0.235 50 D C 0.631 177.084 176.300 0.254 0.000 1.226 50 D CA -0.003 54.143 54.000 0.243 0.000 0.918 50 D CB 1.611 42.505 40.800 0.158 0.000 1.043 50 D HN 0.632 nan 8.370 nan 0.000 0.506 51 A N 3.852 126.861 122.820 0.316 0.000 2.387 51 A HA 0.034 4.353 4.320 -0.001 0.000 0.234 51 A C 0.921 178.634 177.584 0.215 0.000 1.253 51 A CA -0.203 51.970 52.037 0.227 0.000 0.894 51 A CB -0.146 18.942 19.000 0.146 0.000 0.963 51 A HN 0.546 nan 8.150 nan 0.000 0.508 52 Y N 0.515 120.945 120.300 0.216 0.000 2.421 52 Y HA -0.048 4.502 4.550 -0.001 0.000 0.292 52 Y C -0.600 175.322 175.900 0.036 0.000 1.136 52 Y CA 1.462 59.610 58.100 0.080 0.000 1.255 52 Y CB -1.230 37.254 38.460 0.040 0.000 0.991 52 Y HN 0.341 nan 8.280 nan 0.000 0.552 53 P HA -0.180 nan 4.420 nan 0.000 0.217 53 P C 1.910 179.238 177.300 0.047 0.000 1.150 53 P CA 1.279 64.443 63.100 0.107 0.000 0.832 53 P CB 0.020 31.784 31.700 0.107 0.000 0.787 54 L N -0.961 120.297 121.223 0.058 0.000 2.005 54 L HA -0.131 4.209 4.340 -0.001 0.000 0.207 54 L C 2.222 179.076 176.870 -0.027 0.000 1.072 54 L CA 1.422 56.291 54.840 0.048 0.000 0.744 54 L CB -0.860 41.268 42.059 0.114 0.000 0.895 54 L HN -0.085 nan 8.230 nan 0.000 0.433 55 L N 0.125 121.254 121.223 -0.156 0.000 2.013 55 L HA -0.315 4.025 4.340 -0.001 0.000 0.212 55 L C 2.641 179.304 176.870 -0.345 0.000 1.073 55 L CA 1.872 56.377 54.840 -0.557 0.000 0.753 55 L CB -0.311 41.021 42.059 -1.212 0.000 0.890 55 L HN 0.360 nan 8.230 nan 0.000 0.432 56 K N -0.838 119.439 120.400 -0.205 0.000 2.209 56 K HA -0.224 4.096 4.320 -0.001 0.000 0.204 56 K C 2.154 178.693 176.600 -0.101 0.000 1.048 56 K CA 1.065 57.265 56.287 -0.145 0.000 0.940 56 K CB -0.166 32.300 32.500 -0.056 0.000 0.729 56 K HN 0.312 nan 8.250 nan 0.000 0.451 57 R N 0.677 121.136 120.500 -0.069 0.000 2.115 57 R HA -0.089 4.250 4.340 -0.001 0.000 0.226 57 R C 1.804 178.076 176.300 -0.046 0.000 1.100 57 R CA 0.897 56.974 56.100 -0.038 0.000 0.980 57 R CB 0.056 30.347 30.300 -0.015 0.000 0.875 57 R HN 0.029 nan 8.270 nan 0.000 0.445 58 L N 0.261 121.439 121.223 -0.075 0.000 2.068 58 L HA 0.022 4.362 4.340 -0.001 0.000 0.204 58 L C 0.861 177.687 176.870 -0.072 0.000 1.076 58 L CA 1.304 56.104 54.840 -0.068 0.000 0.753 58 L CB -0.148 41.863 42.059 -0.079 0.000 0.910 58 L HN 0.071 nan 8.230 nan 0.000 0.439 59 L N 1.710 122.841 121.223 -0.153 0.000 2.435 59 L HA 0.262 4.602 4.340 -0.001 0.000 0.253 59 L C -1.385 175.336 176.870 -0.249 0.000 1.087 59 L CA -1.076 53.660 54.840 -0.172 0.000 0.950 59 L CB 1.091 42.938 42.059 -0.353 0.000 1.304 59 L HN -0.015 nan 8.230 nan 0.000 0.453 60 P HA -0.234 nan 4.420 nan 0.000 0.222 60 P C 1.359 178.649 177.300 -0.016 0.000 1.142 60 P CA 1.365 64.447 63.100 -0.031 0.000 0.788 60 P CB 0.015 31.737 31.700 0.037 0.000 0.767 61 F N -0.317 119.640 119.950 0.012 0.000 2.367 61 F HA 0.109 4.636 4.527 -0.000 0.000 0.298 61 F C 0.775 176.592 175.800 0.029 0.000 1.094 61 F CA -0.322 57.689 58.000 0.018 0.000 1.409 61 F CB -1.712 37.296 39.000 0.013 0.000 1.064 61 F HN -0.401 nan 8.300 nan 0.000 0.528 62 V N 3.803 123.201 119.914 -0.860 0.000 2.434 62 V HA -0.063 4.056 4.120 -0.001 0.000 0.281 62 V C 0.881 176.875 176.094 -0.167 0.000 1.005 62 V CA 0.154 62.145 62.300 -0.515 0.000 1.089 62 V CB 0.504 32.032 31.823 -0.492 0.000 0.978 62 V HN 0.407 nan 8.190 nan 0.000 0.474 63 Q N 2.890 122.659 119.800 -0.050 0.000 2.376 63 Q HA 0.138 4.478 4.340 -0.001 0.000 0.206 63 Q C 0.844 176.871 176.000 0.045 0.000 0.921 63 Q CA 0.669 56.488 55.803 0.026 0.000 0.911 63 Q CB 0.766 29.554 28.738 0.083 0.000 1.032 63 Q HN 0.941 nan 8.270 nan 0.000 0.510 64 S N -2.318 113.386 115.700 0.006 0.000 2.636 64 S HA 0.235 4.705 4.470 -0.001 0.000 0.268 64 S C 0.133 174.625 174.600 -0.180 0.000 1.159 64 S CA -0.735 57.461 58.200 -0.007 0.000 0.815 64 S CB 0.182 63.457 63.200 0.125 0.000 1.130 64 S HN 0.043 nan 8.310 nan 0.000 0.471 65 Y N 1.158 121.079 120.300 -0.631 0.000 2.145 65 Y HA -0.090 4.460 4.550 -0.000 0.000 0.286 65 Y C 1.889 177.354 175.900 -0.726 0.000 1.145 65 Y CA 1.897 59.307 58.100 -1.150 0.000 1.148 65 Y CB -0.767 36.515 38.460 -1.962 0.000 0.981 65 Y HN 0.757 nan 8.280 nan 0.000 0.507 66 Y N 0.282 120.411 120.300 -0.284 0.000 2.224 66 Y HA -0.258 4.292 4.550 -0.001 0.000 0.289 66 Y C 2.834 178.532 175.900 -0.338 0.000 1.146 66 Y CA 1.710 59.645 58.100 -0.274 0.000 1.182 66 Y CB -0.778 37.624 38.460 -0.097 0.000 0.983 66 Y HN 0.252 nan 8.280 nan 0.000 0.524 67 Q N 0.412 120.100 119.800 -0.186 0.000 2.079 67 Q HA -0.118 4.222 4.340 -0.001 0.000 0.200 67 Q C 2.502 178.269 176.000 -0.388 0.000 0.974 67 Q CA 1.567 57.219 55.803 -0.252 0.000 0.840 67 Q CB -0.542 28.103 28.738 -0.155 0.000 0.898 67 Q HN 0.495 nan 8.270 nan 0.000 0.430 68 G N 1.289 109.819 108.800 -0.450 0.000 2.442 68 G HA2 -0.269 3.690 3.960 -0.001 0.000 0.219 68 G HA3 -0.269 3.690 3.960 -0.001 0.000 0.219 68 G C 1.330 175.769 174.900 -0.769 0.000 1.141 68 G CA 0.907 45.542 45.100 -0.773 0.000 0.763 68 G HN 0.395 nan 8.290 nan 0.000 0.554 69 L N 0.845 121.736 121.223 -0.553 0.000 2.109 69 L HA 0.075 4.415 4.340 -0.001 0.000 0.207 69 L C 2.869 179.614 176.870 -0.209 0.000 1.086 69 L CA 2.266 56.886 54.840 -0.366 0.000 0.760 69 L CB -0.835 40.983 42.059 -0.403 0.000 0.910 69 L HN 0.158 nan 8.230 nan 0.000 0.437 70 T N -0.135 114.272 114.554 -0.246 0.000 2.708 70 T HA -0.171 4.178 4.350 -0.001 0.000 0.266 70 T C 1.959 176.557 174.700 -0.169 0.000 1.037 70 T CA 1.843 63.837 62.100 -0.177 0.000 1.146 70 T CB -0.325 68.386 68.868 -0.262 0.000 0.865 70 T HN 0.288 nan 8.240 nan 0.000 0.435 71 L N -0.049 120.997 121.223 -0.295 0.000 2.083 71 L HA -0.134 4.206 4.340 -0.001 0.000 0.209 71 L C 2.561 179.336 176.870 -0.159 0.000 1.083 71 L CA 1.500 56.182 54.840 -0.263 0.000 0.752 71 L CB -0.536 41.234 42.059 -0.480 0.000 0.899 71 L HN 0.344 nan 8.230 nan 0.000 0.433 72 H N -0.071 118.832 119.070 -0.279 0.000 2.293 72 H HA -0.128 4.428 4.556 -0.000 0.000 0.300 72 H C 2.093 177.362 175.328 -0.099 0.000 1.082 72 H CA 1.881 57.877 56.048 -0.088 0.000 1.308 72 H CB -0.292 29.433 29.762 -0.061 0.000 1.375 72 H HN 0.206 nan 8.280 nan 0.000 0.495 73 G N -0.492 108.200 108.800 -0.181 0.000 2.402 73 G HA2 -0.171 3.788 3.960 -0.001 0.000 0.216 73 G HA3 -0.171 3.788 3.960 -0.001 0.000 0.216 73 G C 1.824 176.614 174.900 -0.183 0.000 1.162 73 G CA 0.975 45.843 45.100 -0.387 0.000 0.777 73 G HN 0.373 nan 8.290 nan 0.000 0.539 74 V N 0.926 120.837 119.914 -0.005 0.000 2.307 74 V HA -0.067 4.052 4.120 -0.001 0.000 0.245 74 V C 2.855 178.934 176.094 -0.024 0.000 1.045 74 V CA 1.314 63.663 62.300 0.083 0.000 1.024 74 V CB -0.402 31.485 31.823 0.107 0.000 0.651 74 V HN 0.313 nan 8.190 nan 0.000 0.449 75 L N -0.215 120.969 121.223 -0.066 0.000 2.217 75 L HA -0.098 4.241 4.340 -0.001 0.000 0.211 75 L C 2.097 178.946 176.870 -0.034 0.000 1.107 75 L CA 1.538 56.346 54.840 -0.053 0.000 0.783 75 L CB -0.527 41.526 42.059 -0.011 0.000 0.919 75 L HN 0.466 nan 8.230 nan 0.000 0.442 76 N N -0.458 118.165 118.700 -0.128 0.000 2.420 76 N HA 0.026 4.765 4.740 -0.001 0.000 0.185 76 N C 1.862 177.274 175.510 -0.164 0.000 1.033 76 N CA 0.771 53.747 53.050 -0.124 0.000 0.879 76 N CB 0.029 38.331 38.487 -0.309 0.000 1.071 76 N HN 0.164 nan 8.380 nan 0.000 0.437 77 A N 0.618 123.246 122.820 -0.321 0.000 2.067 77 A HA 0.106 4.426 4.320 -0.001 0.000 0.217 77 A C 1.831 179.254 177.584 -0.268 0.000 1.156 77 A CA 0.803 52.511 52.037 -0.547 0.000 0.683 77 A CB -0.183 18.551 19.000 -0.444 0.000 0.808 77 A HN 0.180 nan 8.150 nan 0.000 0.455 78 I N -1.816 118.785 120.570 0.052 0.000 3.132 78 I HA -0.026 4.143 4.170 -0.001 0.000 0.255 78 I C 2.116 178.384 176.117 0.251 0.000 1.118 78 I CA 0.433 61.894 61.300 0.268 0.000 1.463 78 I CB -0.059 38.129 38.000 0.312 0.000 1.356 78 I HN 0.079 nan 8.210 nan 0.000 0.463 79 V N 1.274 121.224 119.914 0.060 0.000 2.255 79 V HA -0.263 3.857 4.120 -0.001 0.000 0.243 79 V C 2.304 178.539 176.094 0.235 0.000 1.038 79 V CA 1.933 64.268 62.300 0.059 0.000 1.008 79 V CB -0.759 30.921 31.823 -0.238 0.000 0.645 79 V HN 0.395 nan 8.190 nan 0.000 0.449 80 F N 2.594 122.541 119.950 -0.005 0.000 2.069 80 F HA -0.271 4.256 4.527 -0.000 0.000 0.298 80 F C 2.640 178.411 175.800 -0.048 0.000 1.113 80 F CA 2.507 60.484 58.000 -0.039 0.000 1.214 80 F CB -1.139 37.791 39.000 -0.118 0.000 0.978 80 F HN 0.319 nan 8.300 nan 0.000 0.474 81 T N -1.251 112.923 114.554 -0.634 0.000 2.684 81 T HA -0.332 4.018 4.350 -0.001 0.000 0.267 81 T C 1.989 176.486 174.700 -0.338 0.000 1.036 81 T CA 1.706 63.358 62.100 -0.745 0.000 1.148 81 T CB -1.091 67.244 68.868 -0.889 0.000 0.863 81 T HN 0.623 nan 8.240 nan 0.000 0.436 82 Q N 0.806 120.611 119.800 0.007 0.000 2.061 82 Q HA -0.065 4.275 4.340 -0.001 0.000 0.204 82 Q C 2.461 178.514 176.000 0.090 0.000 0.984 82 Q CA 1.448 57.357 55.803 0.177 0.000 0.846 82 Q CB -0.411 28.585 28.738 0.429 0.000 0.902 82 Q HN 0.640 nan 8.270 nan 0.000 0.421 83 L N -0.220 121.102 121.223 0.165 0.000 2.083 83 L HA -0.168 4.171 4.340 -0.001 0.000 0.209 83 L C 2.423 179.338 176.870 0.075 0.000 1.083 83 L CA 1.090 56.076 54.840 0.243 0.000 0.752 83 L CB -0.537 41.713 42.059 0.319 0.000 0.899 83 L HN 0.306 nan 8.230 nan 0.000 0.433 84 F N 0.875 120.645 119.950 -0.299 0.000 2.186 84 F HA -0.149 4.378 4.527 -0.000 0.000 0.299 84 F C 2.400 178.013 175.800 -0.312 0.000 1.090 84 F CA 1.037 58.803 58.000 -0.389 0.000 1.307 84 F CB -0.239 38.359 39.000 -0.670 0.000 1.019 84 F HN -0.021 nan 8.300 nan 0.000 0.489 85 A N -0.107 122.496 122.820 -0.361 0.000 1.898 85 A HA -0.187 4.133 4.320 -0.001 0.000 0.216 85 A C 2.131 179.591 177.584 -0.207 0.000 1.181 85 A CA 1.576 53.336 52.037 -0.461 0.000 0.620 85 A CB -0.767 17.808 19.000 -0.707 0.000 0.819 85 A HN 0.560 nan 8.150 nan 0.000 0.442 86 Q N -0.532 119.222 119.800 -0.077 0.000 2.170 86 Q HA -0.085 4.255 4.340 -0.001 0.000 0.203 86 Q C 2.384 178.170 176.000 -0.357 0.000 0.976 86 Q CA 1.247 56.984 55.803 -0.111 0.000 0.858 86 Q CB -0.356 28.104 28.738 -0.463 0.000 0.907 86 Q HN 0.694 nan 8.270 nan 0.000 0.433 87 A N 1.092 123.695 122.820 -0.362 0.000 1.840 87 A HA -0.150 4.170 4.320 -0.001 0.000 0.214 87 A C 2.004 179.457 177.584 -0.218 0.000 1.198 87 A CA 1.002 52.872 52.037 -0.278 0.000 0.608 87 A CB -0.433 18.447 19.000 -0.200 0.000 0.839 87 A HN 0.196 nan 8.150 nan 0.000 0.443 88 I N -0.171 120.162 120.570 -0.395 0.000 2.142 88 I HA -0.185 3.985 4.170 -0.001 0.000 0.240 88 I C 2.036 178.059 176.117 -0.156 0.000 1.078 88 I CA 1.383 62.484 61.300 -0.332 0.000 1.343 88 I CB -1.156 36.451 38.000 -0.656 0.000 1.046 88 I HN 0.267 nan 8.210 nan 0.000 0.405 89 M N -0.220 119.271 119.600 -0.182 0.000 2.722 89 M HA -0.004 4.475 4.480 -0.001 0.000 0.238 89 M C 1.765 178.265 176.300 0.333 0.000 1.098 89 M CA 0.555 55.839 55.300 -0.026 0.000 1.062 89 M CB -0.901 31.465 32.600 -0.392 0.000 1.573 89 M HN 0.060 nan 8.290 nan 0.000 0.531 90 V N -2.204 117.820 119.914 0.183 0.000 2.996 90 V HA -0.079 4.040 4.120 -0.001 0.000 0.235 90 V C 1.811 177.972 176.094 0.112 0.000 1.205 90 V CA 0.321 62.697 62.300 0.126 0.000 1.225 90 V CB -0.422 31.394 31.823 -0.011 0.000 0.995 90 V HN 0.216 nan 8.190 nan 0.000 0.484 91 Y N 1.106 121.391 120.300 -0.026 0.000 2.200 91 Y HA -0.093 4.457 4.550 -0.001 0.000 0.290 91 Y C 2.101 178.042 175.900 0.069 0.000 1.137 91 Y CA 1.599 59.700 58.100 0.002 0.000 1.163 91 Y CB -0.153 38.285 38.460 -0.036 0.000 0.988 91 Y HN 0.120 nan 8.280 nan 0.000 0.518 92 L N 0.866 122.108 121.223 0.033 0.000 2.027 92 L HA -0.145 4.195 4.340 -0.001 0.000 0.206 92 L C -0.243 176.666 176.870 0.065 0.000 1.074 92 L CA 1.451 56.342 54.840 0.086 0.000 0.745 92 L CB -2.072 40.098 42.059 0.184 0.000 0.898 92 L HN 0.195 nan 8.230 nan 0.000 0.433 93 P HA -0.180 nan 4.420 nan 0.000 0.217 93 P C 1.461 178.730 177.300 -0.052 0.000 1.150 93 P CA 1.938 65.007 63.100 -0.052 0.000 0.832 93 P CB 0.082 31.772 31.700 -0.017 0.000 0.787 94 A N 0.911 123.709 122.820 -0.037 0.000 1.873 94 A HA -0.220 4.100 4.320 -0.001 0.000 0.218 94 A C 2.420 179.975 177.584 -0.048 0.000 1.193 94 A CA 1.781 53.799 52.037 -0.031 0.000 0.629 94 A CB -1.070 17.922 19.000 -0.014 0.000 0.826 94 A HN 0.008 nan 8.150 nan 0.000 0.447 95 R N -0.289 120.135 120.500 -0.126 0.000 2.081 95 R HA -0.134 4.205 4.340 -0.001 0.000 0.235 95 R C 2.113 178.473 176.300 0.100 0.000 1.131 95 R CA 1.551 57.630 56.100 -0.035 0.000 0.960 95 R CB -1.036 29.159 30.300 -0.176 0.000 0.856 95 R HN 0.887 nan 8.270 nan 0.000 0.436 96 E N 0.412 120.638 120.200 0.042 0.000 2.085 96 E HA -0.171 4.178 4.350 -0.001 0.000 0.194 96 E C 1.213 177.736 176.600 -0.127 0.000 0.994 96 E CA 1.004 57.289 56.400 -0.192 0.000 0.801 96 E CB 0.085 29.485 29.700 -0.499 0.000 0.743 96 E HN 0.043 nan 8.360 nan 0.000 0.453 97 L N 1.251 122.418 121.223 -0.093 0.000 2.492 97 L HA 0.054 4.394 4.340 -0.001 0.000 0.223 97 L C 0.735 177.651 176.870 0.076 0.000 1.132 97 L CA 0.884 55.709 54.840 -0.025 0.000 0.850 97 L CB -1.142 40.904 42.059 -0.021 0.000 0.966 97 L HN 0.284 nan 8.230 nan 0.000 0.454 98 N N -0.112 118.623 118.700 0.059 0.000 2.740 98 N HA -0.256 4.484 4.740 -0.001 0.000 0.248 98 N C -0.439 175.097 175.510 0.044 0.000 1.062 98 N CA 0.686 53.781 53.050 0.075 0.000 0.704 98 N CB -0.767 37.778 38.487 0.097 0.000 0.968 98 N HN 0.311 nan 8.380 nan 0.000 0.547 99 M N 0.000 119.624 119.600 0.039 0.000 2.530 99 M HA 0.319 4.799 4.480 -0.001 0.000 0.307 99 M C 0.374 176.678 176.300 0.008 0.000 1.161 99 M CA -0.786 54.533 55.300 0.031 0.000 0.903 99 M CB 2.322 34.972 32.600 0.083 0.000 1.711 99 M HN 0.118 nan 8.290 nan 0.000 0.451 100 R N 2.342 122.838 120.500 -0.007 0.000 2.340 100 R HA 0.450 4.790 4.340 -0.001 0.000 0.300 100 R C -2.585 173.734 176.300 0.032 0.000 1.069 100 R CA -1.238 54.861 56.100 -0.000 0.000 0.984 100 R CB 0.704 30.992 30.300 -0.020 0.000 1.003 100 R HN 0.267 nan 8.270 nan 0.000 0.459 101 P HA -0.008 nan 4.420 nan 0.000 0.274 101 P C -1.087 176.250 177.300 0.061 0.000 1.237 101 P CA -0.481 62.648 63.100 0.049 0.000 0.793 101 P CB 0.493 32.217 31.700 0.040 0.000 0.977 102 N N 2.483 121.231 118.700 0.081 0.000 2.416 102 N HA -0.018 4.722 4.740 -0.001 0.000 0.271 102 N C 0.820 176.390 175.510 0.100 0.000 1.245 102 N CA 0.222 53.331 53.050 0.098 0.000 0.940 102 N CB 0.196 38.762 38.487 0.131 0.000 1.175 102 N HN 0.230 nan 8.380 nan 0.000 0.483 103 M N 2.755 122.423 119.600 0.112 0.000 2.374 103 M HA -0.019 4.461 4.480 -0.001 0.000 0.264 103 M C 1.933 178.383 176.300 0.250 0.000 1.067 103 M CA 0.668 56.062 55.300 0.157 0.000 1.103 103 M CB -1.369 31.352 32.600 0.202 0.000 1.402 103 M HN 0.608 nan 8.290 nan 0.000 0.444 104 G N 0.273 109.194 108.800 0.203 0.000 2.402 104 G HA2 -0.111 3.849 3.960 -0.001 0.000 0.216 104 G HA3 -0.111 3.849 3.960 -0.001 0.000 0.216 104 G C 1.700 176.732 174.900 0.221 0.000 1.162 104 G CA 0.306 45.536 45.100 0.218 0.000 0.777 104 G HN 0.404 nan 8.290 nan 0.000 0.539 105 L N -0.331 120.984 121.223 0.154 0.000 2.072 105 L HA 0.050 4.390 4.340 -0.001 0.000 0.205 105 L C 2.881 179.854 176.870 0.171 0.000 1.079 105 L CA 1.028 55.948 54.840 0.134 0.000 0.752 105 L CB -0.355 41.752 42.059 0.080 0.000 0.906 105 L HN 0.243 nan 8.230 nan 0.000 0.436 106 M N -0.939 118.737 119.600 0.127 0.000 2.108 106 M HA -0.276 4.204 4.480 -0.001 0.000 0.261 106 M C 2.111 178.474 176.300 0.105 0.000 1.066 106 M CA 2.256 57.595 55.300 0.064 0.000 1.107 106 M CB -0.190 32.368 32.600 -0.071 0.000 1.356 106 M HN 0.209 nan 8.290 nan 0.000 0.406 107 W N -0.244 121.217 121.300 0.268 0.000 2.418 107 W HA -0.146 4.513 4.660 -0.001 0.000 0.292 107 W C 2.080 178.879 176.519 0.467 0.000 1.213 107 W CA 0.455 57.999 57.345 0.333 0.000 1.283 107 W CB -0.272 29.357 29.460 0.282 0.000 1.119 107 W HN 0.267 nan 8.180 nan 0.000 0.542 108 L N 0.931 122.491 121.223 0.561 0.000 2.083 108 L HA -0.205 4.135 4.340 -0.001 0.000 0.209 108 L C 2.553 179.670 176.870 0.412 0.000 1.083 108 L CA 2.628 57.745 54.840 0.461 0.000 0.752 108 L CB -1.236 40.990 42.059 0.278 0.000 0.899 108 L HN -0.024 nan 8.230 nan 0.000 0.433 109 S N -1.762 114.154 115.700 0.359 0.000 2.383 109 S HA -0.277 4.193 4.470 -0.001 0.000 0.227 109 S C 1.919 176.752 174.600 0.388 0.000 1.026 109 S CA 1.024 59.428 58.200 0.340 0.000 0.981 109 S CB -1.494 61.893 63.200 0.313 0.000 0.818 109 S HN 0.687 nan 8.310 nan 0.000 0.472 110 W N 0.870 122.289 121.300 0.199 0.000 2.388 110 W HA 0.132 4.792 4.660 -0.001 0.000 0.294 110 W C 1.595 178.048 176.519 -0.110 0.000 1.212 110 W CA 0.770 57.930 57.345 -0.309 0.000 1.271 110 W CB -0.437 28.655 29.460 -0.613 0.000 1.126 110 W HN 0.324 nan 8.180 nan 0.000 0.535 111 W N -0.173 121.315 121.300 0.314 0.000 2.436 111 W HA -0.114 4.545 4.660 -0.001 0.000 0.284 111 W C 2.487 179.052 176.519 0.077 0.000 1.225 111 W CA 1.332 58.810 57.345 0.221 0.000 1.271 111 W CB -0.639 29.015 29.460 0.323 0.000 1.114 111 W HN -0.213 nan 8.180 nan 0.000 0.559 112 M N -0.333 119.425 119.600 0.264 0.000 2.132 112 M HA -0.165 4.315 4.480 -0.001 0.000 0.263 112 M C 2.412 178.750 176.300 0.063 0.000 1.065 112 M CA 1.891 57.286 55.300 0.159 0.000 1.122 112 M CB -0.880 31.793 32.600 0.123 0.000 1.365 112 M HN 0.040 nan 8.290 nan 0.000 0.411 113 A N 0.224 123.013 122.820 -0.051 0.000 1.865 113 A HA -0.217 4.103 4.320 -0.001 0.000 0.217 113 A C 2.041 179.623 177.584 -0.002 0.000 1.191 113 A CA 1.598 53.596 52.037 -0.065 0.000 0.623 113 A CB -1.127 17.735 19.000 -0.229 0.000 0.826 113 A HN 0.532 nan 8.150 nan 0.000 0.444 114 F N 0.450 120.084 119.950 -0.527 0.000 2.134 114 F HA -0.148 4.379 4.527 -0.001 0.000 0.299 114 F C 1.977 177.682 175.800 -0.159 0.000 1.097 114 F CA 1.865 59.543 58.000 -0.537 0.000 1.264 114 F CB -0.107 38.201 39.000 -1.154 0.000 1.001 114 F HN 0.184 nan 8.300 nan 0.000 0.479 115 I N -0.148 120.406 120.570 -0.027 0.000 2.233 115 I HA -0.164 4.006 4.170 -0.001 0.000 0.243 115 I C 2.773 178.848 176.117 -0.069 0.000 1.093 115 I CA 1.219 62.508 61.300 -0.017 0.000 1.380 115 I CB -1.320 36.792 38.000 0.186 0.000 1.067 115 I HN 0.274 nan 8.210 nan 0.000 0.413 116 G N 1.350 110.159 108.800 0.015 0.000 2.446 116 G HA2 -0.280 3.680 3.960 -0.001 0.000 0.217 116 G HA3 -0.280 3.680 3.960 -0.001 0.000 0.217 116 G C 1.652 176.511 174.900 -0.068 0.000 1.168 116 G CA 0.775 45.896 45.100 0.036 0.000 0.771 116 G HN 0.245 nan 8.290 nan 0.000 0.551 117 L N 0.888 122.049 121.223 -0.102 0.000 1.989 117 L HA -0.057 4.283 4.340 -0.001 0.000 0.211 117 L C 2.938 179.628 176.870 -0.300 0.000 1.071 117 L CA 1.675 56.348 54.840 -0.277 0.000 0.749 117 L CB -0.798 41.089 42.059 -0.287 0.000 0.890 117 L HN 0.087 nan 8.230 nan 0.000 0.431 118 V N -0.934 118.749 119.914 -0.385 0.000 2.332 118 V HA -0.288 3.832 4.120 -0.001 0.000 0.248 118 V C 2.526 178.486 176.094 -0.224 0.000 1.055 118 V CA 1.681 63.772 62.300 -0.347 0.000 1.038 118 V CB -0.524 31.038 31.823 -0.433 0.000 0.651 118 V HN 0.395 nan 8.190 nan 0.000 0.450 119 V N 0.014 119.821 119.914 -0.178 0.000 2.515 119 V HA -0.177 3.943 4.120 -0.001 0.000 0.250 119 V C 2.535 178.524 176.094 -0.175 0.000 1.058 119 V CA 1.829 64.044 62.300 -0.142 0.000 1.064 119 V CB -0.835 30.948 31.823 -0.066 0.000 0.675 119 V HN 0.563 nan 8.190 nan 0.000 0.461 120 A N -0.238 122.473 122.820 -0.182 0.000 1.935 120 A HA 0.144 4.464 4.320 -0.001 0.000 0.214 120 A C 2.409 179.922 177.584 -0.117 0.000 1.178 120 A CA 1.393 53.331 52.037 -0.165 0.000 0.640 120 A CB -0.565 18.282 19.000 -0.255 0.000 0.825 120 A HN 0.495 nan 8.150 nan 0.000 0.447 121 A N 0.484 123.206 122.820 -0.164 0.000 1.865 121 A HA -0.129 4.191 4.320 -0.001 0.000 0.217 121 A C 2.132 179.615 177.584 -0.168 0.000 1.191 121 A CA 1.606 53.549 52.037 -0.157 0.000 0.623 121 A CB -0.817 18.075 19.000 -0.180 0.000 0.826 121 A HN 0.478 nan 8.150 nan 0.000 0.444 122 L N -0.579 120.530 121.223 -0.190 0.000 1.976 122 L HA -0.225 4.115 4.340 -0.001 0.000 0.223 122 L C -0.178 176.552 176.870 -0.234 0.000 1.081 122 L CA 2.328 57.043 54.840 -0.208 0.000 0.784 122 L CB -1.899 40.028 42.059 -0.219 0.000 0.896 122 L HN 0.255 nan 8.230 nan 0.000 0.438 123 P HA -0.167 nan 4.420 nan 0.000 0.215 123 P C 1.963 179.147 177.300 -0.194 0.000 1.153 123 P CA 1.336 64.243 63.100 -0.322 0.000 0.853 123 P CB 0.048 31.543 31.700 -0.343 0.000 0.788 124 L N -1.418 119.709 121.223 -0.161 0.000 1.989 124 L HA -0.187 4.153 4.340 -0.001 0.000 0.211 124 L C 2.389 179.199 176.870 -0.101 0.000 1.071 124 L CA 1.516 56.262 54.840 -0.157 0.000 0.749 124 L CB -1.103 40.886 42.059 -0.118 0.000 0.890 124 L HN -0.054 nan 8.230 nan 0.000 0.431 125 L N -0.534 120.625 121.223 -0.106 0.000 2.362 125 L HA -0.085 4.255 4.340 -0.001 0.000 0.219 125 L C 2.185 179.053 176.870 -0.003 0.000 1.134 125 L CA 0.531 55.317 54.840 -0.090 0.000 0.807 125 L CB -0.468 41.405 42.059 -0.310 0.000 0.927 125 L HN 0.223 nan 8.230 nan 0.000 0.447 126 A N -0.730 122.060 122.820 -0.049 0.000 2.379 126 A HA 0.043 4.363 4.320 -0.001 0.000 0.236 126 A C 0.992 178.598 177.584 0.037 0.000 1.272 126 A CA 0.133 52.161 52.037 -0.015 0.000 0.886 126 A CB -0.421 18.528 19.000 -0.086 0.000 0.962 126 A HN 0.514 nan 8.150 nan 0.000 0.504 127 N N -0.424 118.304 118.700 0.046 0.000 2.725 127 N HA -0.157 4.583 4.740 -0.001 0.000 0.249 127 N C 0.281 175.920 175.510 0.216 0.000 1.103 127 N CA 1.232 54.336 53.050 0.091 0.000 0.707 127 N CB -0.760 37.821 38.487 0.156 0.000 1.043 127 N HN 0.502 nan 8.380 nan 0.000 0.553 128 E N -1.007 119.257 120.200 0.107 0.000 2.481 128 E HA 0.363 4.713 4.350 -0.001 0.000 0.198 128 E C 0.259 176.985 176.600 0.211 0.000 1.027 128 E CA 0.767 57.293 56.400 0.209 0.000 0.900 128 E CB 0.439 30.152 29.700 0.022 0.000 0.993 128 E HN 0.507 nan 8.360 nan 0.000 0.482 129 A N 0.774 123.523 122.820 -0.119 0.000 3.292 129 A HA 0.211 4.531 4.320 -0.001 0.000 0.231 129 A C 0.026 177.105 177.584 -0.841 0.000 0.952 129 A CA -0.437 51.321 52.037 -0.466 0.000 1.044 129 A CB -0.149 18.446 19.000 -0.675 0.000 1.236 129 A HN -0.120 nan 8.150 nan 0.000 0.525 130 T N 1.921 115.689 114.554 -1.311 0.000 4.104 130 T HA 0.292 4.641 4.350 -0.001 0.000 0.285 130 T C 1.130 175.120 174.700 -1.184 0.000 1.346 130 T CA 0.821 62.192 62.100 -1.214 0.000 1.158 130 T CB -0.440 67.667 68.868 -1.268 0.000 1.290 130 T HN 1.000 nan 8.240 nan 0.000 0.975 131 V N -0.229 119.238 119.914 -0.745 0.000 3.432 131 V HA 0.484 4.604 4.120 -0.001 0.000 0.298 131 V C 0.237 176.226 176.094 -0.176 0.000 1.464 131 V CA -0.676 61.392 62.300 -0.388 0.000 1.046 131 V CB -0.837 30.849 31.823 -0.229 0.000 0.887 131 V HN 0.660 nan 8.190 nan 0.000 0.441 132 L N -0.974 120.146 121.223 -0.170 0.000 0.584 132 L HA -0.226 4.114 4.340 -0.001 0.000 0.356 132 L C 1.132 178.095 176.870 0.154 0.000 0.953 132 L CA 0.476 55.322 54.840 0.010 0.000 1.223 132 L CB -1.044 41.051 42.059 0.061 0.000 0.011 132 L HN 0.637 nan 8.230 nan 0.000 0.091 133 Y N -0.148 120.174 120.300 0.036 0.000 2.651 133 Y HA -0.068 4.482 4.550 -0.001 0.000 0.296 133 Y C 1.911 177.824 175.900 0.022 0.000 1.150 133 Y CA 1.447 59.656 58.100 0.181 0.000 1.348 133 Y CB -1.101 37.449 38.460 0.150 0.000 0.983 133 Y HN 0.636 nan 8.280 nan 0.000 0.555 134 T N -3.046 111.142 114.554 -0.610 0.000 3.022 134 T HA 0.087 4.437 4.350 -0.001 0.000 0.250 134 T C 0.604 174.106 174.700 -1.996 0.000 1.060 134 T CA 0.064 61.179 62.100 -1.642 0.000 1.013 134 T CB -1.333 66.464 68.868 -1.785 0.000 0.982 134 T HN 0.541 nan 8.240 nan 0.000 0.508 135 F N 0.683 120.368 119.950 -0.442 0.000 2.642 135 F HA -0.220 4.307 4.527 -0.001 0.000 0.200 135 F C -0.670 175.099 175.800 -0.052 0.000 1.041 135 F CA -1.371 56.550 58.000 -0.131 0.000 0.851 135 F CB -2.889 36.238 39.000 0.211 0.000 0.727 135 F HN 0.296 nan 8.300 nan 0.000 0.848 136 Y N 1.085 121.322 120.300 -0.105 0.000 2.537 136 Y HA 0.327 4.876 4.550 -0.001 0.000 0.339 136 Y C -1.460 174.502 175.900 0.103 0.000 1.066 136 Y CA -2.375 55.672 58.100 -0.089 0.000 1.357 136 Y CB 0.280 38.676 38.460 -0.105 0.000 1.175 136 Y HN 0.074 nan 8.280 nan 0.000 0.525 137 P HA 0.009 nan 4.420 nan 0.000 0.269 137 P C -2.033 175.347 177.300 0.133 0.000 1.215 137 P CA -1.055 62.169 63.100 0.207 0.000 0.780 137 P CB 0.459 32.033 31.700 -0.209 0.000 0.898 138 P HA 0.019 nan 4.420 nan 0.000 0.237 138 P C -0.133 177.540 177.300 0.621 0.000 1.178 138 P CA 0.521 63.872 63.100 0.418 0.000 0.766 138 P CB 0.038 31.959 31.700 0.368 0.000 0.876 139 L N 0.585 122.104 121.223 0.493 0.000 2.584 139 L HA -0.033 4.307 4.340 -0.001 0.000 0.272 139 L C 0.947 178.192 176.870 0.624 0.000 1.195 139 L CA 0.452 55.609 54.840 0.528 0.000 0.920 139 L CB -0.115 42.190 42.059 0.411 0.000 1.173 139 L HN -0.055 nan 8.230 nan 0.000 0.489 140 K N 3.278 123.982 120.400 0.507 0.000 2.389 140 K HA 0.425 4.744 4.320 -0.001 0.000 0.261 140 K C 0.123 176.920 176.600 0.328 0.000 1.014 140 K CA -0.441 55.964 56.287 0.196 0.000 0.920 140 K CB 1.193 33.531 32.500 -0.270 0.000 1.149 140 K HN 0.657 nan 8.250 nan 0.000 0.444 141 G N 1.560 110.614 108.800 0.423 0.000 2.580 141 G HA2 0.035 3.994 3.960 -0.001 0.000 0.278 141 G HA3 0.035 3.994 3.960 -0.001 0.000 0.278 141 G C -0.793 174.288 174.900 0.302 0.000 1.212 141 G CA -0.446 44.814 45.100 0.267 0.000 0.939 141 G HN 0.713 nan 8.290 nan 0.000 0.513 142 H N 0.549 119.664 119.070 0.075 0.000 2.732 142 H HA -0.021 4.535 4.556 -0.001 0.000 0.351 142 H C 1.571 176.970 175.328 0.119 0.000 1.090 142 H CA -0.276 55.801 56.048 0.048 0.000 1.431 142 H CB 0.507 30.202 29.762 -0.113 0.000 1.447 142 H HN 0.738 nan 8.280 nan 0.000 0.582 143 W N 4.011 125.328 121.300 0.029 0.000 2.308 143 W HA -0.243 4.416 4.660 -0.000 0.000 0.301 143 W C 1.263 178.044 176.519 0.436 0.000 1.220 143 W CA 1.125 58.679 57.345 0.349 0.000 1.240 143 W CB -1.374 28.301 29.460 0.359 0.000 1.142 143 W HN 0.605 nan 8.180 nan 0.000 0.521 144 A N 0.787 123.403 122.820 -0.339 0.000 2.015 144 A HA -0.117 4.203 4.320 -0.001 0.000 0.219 144 A C 1.879 179.408 177.584 -0.092 0.000 1.163 144 A CA 1.405 53.219 52.037 -0.371 0.000 0.646 144 A CB -1.237 17.299 19.000 -0.774 0.000 0.806 144 A HN 0.367 nan 8.150 nan 0.000 0.448 145 F N -0.273 119.550 119.950 -0.211 0.000 2.060 145 F HA -0.154 4.372 4.527 -0.000 0.000 0.295 145 F C 2.079 177.665 175.800 -0.357 0.000 1.120 145 F CA 1.657 59.442 58.000 -0.358 0.000 1.205 145 F CB -0.657 38.013 39.000 -0.550 0.000 0.986 145 F HN 0.304 nan 8.300 nan 0.000 0.470 146 Y N -0.179 120.025 120.300 -0.159 0.000 2.181 146 Y HA -0.200 4.349 4.550 -0.001 0.000 0.288 146 Y C 2.311 178.099 175.900 -0.186 0.000 1.146 146 Y CA 1.266 59.185 58.100 -0.301 0.000 1.164 146 Y CB -0.944 37.475 38.460 -0.069 0.000 0.982 146 Y HN 0.224 nan 8.280 nan 0.000 0.515 147 L N 0.334 121.671 121.223 0.190 0.000 2.017 147 L HA -0.079 4.261 4.340 -0.001 0.000 0.208 147 L C 2.380 179.288 176.870 0.063 0.000 1.073 147 L CA 2.296 57.273 54.840 0.228 0.000 0.745 147 L CB -1.220 41.147 42.059 0.513 0.000 0.894 147 L HN 0.194 nan 8.230 nan 0.000 0.432 148 G N -1.241 107.541 108.800 -0.030 0.000 2.422 148 G HA2 -0.209 3.751 3.960 -0.001 0.000 0.218 148 G HA3 -0.209 3.751 3.960 -0.001 0.000 0.218 148 G C 1.582 176.408 174.900 -0.123 0.000 1.146 148 G CA 0.783 45.833 45.100 -0.084 0.000 0.769 148 G HN 0.658 nan 8.290 nan 0.000 0.547 149 A N 0.843 123.481 122.820 -0.304 0.000 1.898 149 A HA 0.038 4.358 4.320 -0.001 0.000 0.216 149 A C 2.710 180.254 177.584 -0.067 0.000 1.181 149 A CA 2.186 54.051 52.037 -0.286 0.000 0.620 149 A CB -0.610 17.984 19.000 -0.677 0.000 0.819 149 A HN 0.303 nan 8.150 nan 0.000 0.442 150 S N -0.303 115.338 115.700 -0.098 0.000 2.359 150 S HA -0.147 4.323 4.470 -0.001 0.000 0.224 150 S C 1.886 176.455 174.600 -0.052 0.000 1.035 150 S CA 1.552 59.710 58.200 -0.071 0.000 1.018 150 S CB -0.540 62.620 63.200 -0.068 0.000 0.876 150 S HN 0.339 nan 8.310 nan 0.000 0.448 151 V N 1.264 121.175 119.914 -0.004 0.000 2.427 151 V HA -0.139 3.981 4.120 -0.001 0.000 0.248 151 V C 1.878 177.999 176.094 0.044 0.000 1.051 151 V CA 1.665 63.973 62.300 0.013 0.000 1.048 151 V CB -0.756 31.097 31.823 0.051 0.000 0.666 151 V HN 0.479 nan 8.190 nan 0.000 0.456 152 F N 0.768 120.685 119.950 -0.055 0.000 2.095 152 F HA -0.183 4.344 4.527 -0.000 0.000 0.298 152 F C 2.178 177.998 175.800 0.032 0.000 1.104 152 F CA 1.898 59.885 58.000 -0.023 0.000 1.232 152 F CB -0.284 38.687 39.000 -0.048 0.000 0.987 152 F HN -0.026 nan 8.300 nan 0.000 0.475 153 V N 0.617 120.561 119.914 0.049 0.000 2.453 153 V HA -0.257 3.863 4.120 -0.001 0.000 0.247 153 V C 2.406 178.442 176.094 -0.097 0.000 1.048 153 V CA 1.599 63.902 62.300 0.005 0.000 1.049 153 V CB -0.671 31.209 31.823 0.094 0.000 0.672 153 V HN 0.352 nan 8.190 nan 0.000 0.457 154 L N 0.289 121.386 121.223 -0.210 0.000 2.353 154 L HA -0.145 4.194 4.340 -0.001 0.000 0.220 154 L C 2.626 179.424 176.870 -0.120 0.000 1.133 154 L CA 1.337 55.952 54.840 -0.374 0.000 0.798 154 L CB -0.613 41.222 42.059 -0.374 0.000 0.922 154 L HN 0.414 nan 8.230 nan 0.000 0.445 155 S N -0.026 115.639 115.700 -0.058 0.000 2.383 155 S HA -0.218 4.251 4.470 -0.001 0.000 0.229 155 S C 2.176 176.845 174.600 0.114 0.000 1.030 155 S CA 2.061 60.274 58.200 0.021 0.000 1.002 155 S CB -0.301 62.854 63.200 -0.075 0.000 0.829 155 S HN 0.655 nan 8.310 nan 0.000 0.467 156 T N -2.430 112.233 114.554 0.181 0.000 2.929 156 T HA -0.098 4.251 4.350 -0.001 0.000 0.271 156 T C 1.421 176.381 174.700 0.434 0.000 1.085 156 T CA 1.018 63.335 62.100 0.363 0.000 1.125 156 T CB -0.632 68.645 68.868 0.681 0.000 0.874 156 T HN 0.540 nan 8.240 nan 0.000 0.494 157 W N 1.168 122.543 121.300 0.125 0.000 2.425 157 W HA 0.183 4.843 4.660 -0.000 0.000 0.277 157 W C 2.396 178.948 176.519 0.055 0.000 1.231 157 W CA -0.730 56.683 57.345 0.113 0.000 1.248 157 W CB -0.952 28.579 29.460 0.118 0.000 1.117 157 W HN 0.161 nan 8.180 nan 0.000 0.568 158 V N -0.579 119.485 119.914 0.249 0.000 2.407 158 V HA -0.232 3.888 4.120 -0.001 0.000 0.245 158 V C 2.254 178.368 176.094 0.032 0.000 1.041 158 V CA 2.055 64.439 62.300 0.139 0.000 1.040 158 V CB -1.102 30.795 31.823 0.122 0.000 0.671 158 V HN 0.007 nan 8.190 nan 0.000 0.455 159 S N 0.158 115.799 115.700 -0.099 0.000 2.370 159 S HA -0.148 4.321 4.470 -0.001 0.000 0.226 159 S C 1.895 176.086 174.600 -0.682 0.000 1.033 159 S CA 1.686 59.630 58.200 -0.428 0.000 1.011 159 S CB -0.350 62.461 63.200 -0.649 0.000 0.852 159 S HN 0.488 nan 8.310 nan 0.000 0.457 160 I N 0.090 120.356 120.570 -0.507 0.000 2.127 160 I HA -0.242 3.928 4.170 -0.001 0.000 0.241 160 I C 2.294 178.278 176.117 -0.221 0.000 1.075 160 I CA 1.655 62.730 61.300 -0.375 0.000 1.334 160 I CB -0.443 37.529 38.000 -0.045 0.000 1.040 160 I HN 0.282 nan 8.210 nan 0.000 0.405 161 Y N 1.632 121.823 120.300 -0.181 0.000 2.128 161 Y HA -0.262 4.287 4.550 -0.001 0.000 0.284 161 Y C 2.359 178.199 175.900 -0.101 0.000 1.154 161 Y CA 1.631 59.662 58.100 -0.115 0.000 1.149 161 Y CB -0.324 38.102 38.460 -0.057 0.000 0.976 161 Y HN 0.046 nan 8.280 nan 0.000 0.505 162 I N -1.135 119.499 120.570 0.105 0.000 2.264 162 I HA -0.321 3.848 4.170 -0.001 0.000 0.248 162 I C 2.137 178.210 176.117 -0.073 0.000 1.111 162 I CA 1.331 62.658 61.300 0.046 0.000 1.382 162 I CB -0.425 37.572 38.000 -0.005 0.000 1.060 162 I HN 0.125 nan 8.210 nan 0.000 0.418 163 V N 0.640 120.446 119.914 -0.180 0.000 2.407 163 V HA -0.180 3.940 4.120 -0.001 0.000 0.245 163 V C 2.273 178.362 176.094 -0.009 0.000 1.041 163 V CA 1.226 63.472 62.300 -0.091 0.000 1.040 163 V CB -0.303 31.453 31.823 -0.112 0.000 0.671 163 V HN 0.346 nan 8.190 nan 0.000 0.455 164 L N 0.340 121.518 121.223 -0.076 0.000 2.131 164 L HA -0.199 4.140 4.340 -0.001 0.000 0.210 164 L C 2.320 179.200 176.870 0.016 0.000 1.092 164 L CA 2.039 56.896 54.840 0.028 0.000 0.759 164 L CB -0.622 41.378 42.059 -0.098 0.000 0.903 164 L HN 0.452 nan 8.230 nan 0.000 0.435 165 D N 0.320 120.615 120.400 -0.175 0.000 2.117 165 D HA -0.180 4.459 4.640 -0.001 0.000 0.198 165 D C 2.313 178.615 176.300 0.003 0.000 0.982 165 D CA 1.083 54.983 54.000 -0.166 0.000 0.828 165 D CB 0.064 40.747 40.800 -0.195 0.000 0.967 165 D HN 0.180 nan 8.370 nan 0.000 0.464 166 L N -0.652 120.604 121.223 0.056 0.000 2.046 166 L HA -0.079 4.260 4.340 -0.001 0.000 0.208 166 L C 2.181 179.180 176.870 0.215 0.000 1.077 166 L CA 1.077 55.985 54.840 0.113 0.000 0.747 166 L CB -0.500 41.615 42.059 0.095 0.000 0.896 166 L HN 0.325 nan 8.230 nan 0.000 0.432 167 W N 1.237 122.546 121.300 0.015 0.000 2.355 167 W HA -0.218 4.442 4.660 -0.000 0.000 0.309 167 W C 2.885 179.473 176.519 0.114 0.000 1.206 167 W CA 1.788 59.169 57.345 0.061 0.000 1.284 167 W CB -0.359 29.106 29.460 0.008 0.000 1.145 167 W HN 0.007 nan 8.180 nan 0.000 0.502 168 R N 0.570 121.063 120.500 -0.011 0.000 2.096 168 R HA -0.228 4.112 4.340 -0.001 0.000 0.240 168 R C 2.287 178.501 176.300 -0.142 0.000 1.139 168 R CA 2.308 58.270 56.100 -0.230 0.000 0.952 168 R CB -0.594 29.627 30.300 -0.133 0.000 0.854 168 R HN 0.174 nan 8.270 nan 0.000 0.436 169 R N -0.928 119.556 120.500 -0.028 0.000 2.096 169 R HA -0.174 4.166 4.340 -0.001 0.000 0.235 169 R C 1.975 178.280 176.300 0.010 0.000 1.127 169 R CA 1.782 57.876 56.100 -0.011 0.000 0.968 169 R CB -0.457 29.861 30.300 0.029 0.000 0.861 169 R HN 0.424 nan 8.270 nan 0.000 0.440 170 W N 1.834 123.084 121.300 -0.084 0.000 2.388 170 W HA -0.102 4.558 4.660 -0.000 0.000 0.294 170 W C 1.671 178.121 176.519 -0.115 0.000 1.212 170 W CA 1.058 58.365 57.345 -0.064 0.000 1.271 170 W CB 0.171 29.631 29.460 0.000 0.000 1.126 170 W HN -0.197 nan 8.180 nan 0.000 0.535 171 K N 0.459 120.854 120.400 -0.009 0.000 2.002 171 K HA -0.163 4.156 4.320 -0.001 0.000 0.209 171 K C 2.182 178.596 176.600 -0.310 0.000 1.048 171 K CA 1.687 57.853 56.287 -0.202 0.000 0.930 171 K CB -1.348 30.946 32.500 -0.344 0.000 0.714 171 K HN 0.250 nan 8.250 nan 0.000 0.438 172 A N 1.435 124.107 122.820 -0.247 0.000 1.903 172 A HA -0.196 4.124 4.320 -0.001 0.000 0.219 172 A C 2.307 179.747 177.584 -0.241 0.000 1.191 172 A CA 2.552 54.465 52.037 -0.207 0.000 0.638 172 A CB -0.680 18.228 19.000 -0.153 0.000 0.823 172 A HN 0.363 nan 8.150 nan 0.000 0.451 173 A N -1.326 121.313 122.820 -0.302 0.000 2.206 173 A HA 0.119 4.439 4.320 -0.001 0.000 0.211 173 A C 0.627 177.935 177.584 -0.460 0.000 1.158 173 A CA 1.014 52.853 52.037 -0.329 0.000 0.761 173 A CB -0.331 18.488 19.000 -0.301 0.000 0.801 173 A HN 0.573 nan 8.150 nan 0.000 0.473 174 N N 0.118 118.448 118.700 -0.616 0.000 2.672 174 N HA 0.216 4.956 4.740 -0.001 0.000 0.295 174 N C -3.110 172.147 175.510 -0.421 0.000 1.924 174 N CA -0.925 51.730 53.050 -0.658 0.000 0.851 174 N CB 1.287 38.975 38.487 -1.332 0.000 1.281 174 N HN 0.207 nan 8.380 nan 0.000 0.494 175 P HA 0.099 nan 4.420 nan 0.000 0.267 175 P C 0.933 178.168 177.300 -0.109 0.000 1.200 175 P CA 0.839 63.841 63.100 -0.164 0.000 0.772 175 P CB 0.913 32.534 31.700 -0.132 0.000 0.855 176 G N 1.663 110.428 108.800 -0.058 0.000 2.184 176 G HA2 -0.242 3.717 3.960 -0.001 0.000 0.264 176 G HA3 -0.242 3.717 3.960 -0.001 0.000 0.264 176 G C 0.059 174.967 174.900 0.013 0.000 0.975 176 G CA 0.167 45.255 45.100 -0.020 0.000 0.642 176 G HN 0.601 nan 8.290 nan 0.000 0.536 177 K N 0.046 120.462 120.400 0.028 0.000 2.156 177 K HA 0.616 4.936 4.320 -0.001 0.000 0.254 177 K C 0.332 177.093 176.600 0.268 0.000 0.950 177 K CA -0.925 55.440 56.287 0.129 0.000 0.849 177 K CB 2.613 35.188 32.500 0.124 0.000 1.100 177 K HN 0.002 nan 8.250 nan 0.000 0.434 178 V N 2.476 122.527 119.914 0.229 0.000 2.637 178 V HA -0.012 4.108 4.120 -0.001 0.000 0.296 178 V C 0.283 176.508 176.094 0.220 0.000 1.046 178 V CA -0.038 62.377 62.300 0.193 0.000 1.066 178 V CB 1.110 32.974 31.823 0.068 0.000 0.968 178 V HN 0.782 nan 8.190 nan 0.000 0.483 179 T N 8.356 123.033 114.554 0.205 0.000 2.871 179 T HA 0.110 4.460 4.350 -0.001 0.000 0.296 179 T C -2.172 172.417 174.700 -0.186 0.000 0.998 179 T CA -0.340 61.780 62.100 0.033 0.000 1.162 179 T CB 0.420 69.476 68.868 0.315 0.000 0.947 179 T HN 0.528 nan 8.240 nan 0.000 0.536 180 P HA 0.026 nan 4.420 nan 0.000 0.267 180 P C 1.052 178.186 177.300 -0.276 0.000 1.201 180 P CA -0.464 62.405 63.100 -0.386 0.000 0.775 180 P CB 0.441 31.808 31.700 -0.555 0.000 0.854 181 L N 4.759 125.825 121.223 -0.261 0.000 1.963 181 L HA -0.242 4.098 4.340 -0.001 0.000 0.220 181 L C 2.022 178.733 176.870 -0.265 0.000 1.076 181 L CA 2.188 56.880 54.840 -0.246 0.000 0.772 181 L CB -1.193 40.708 42.059 -0.263 0.000 0.892 181 L HN 0.188 nan 8.230 nan 0.000 0.435 182 V N -1.064 118.651 119.914 -0.333 0.000 2.407 182 V HA -0.293 3.827 4.120 -0.001 0.000 0.248 182 V C 2.393 178.331 176.094 -0.260 0.000 1.055 182 V CA 2.166 64.278 62.300 -0.313 0.000 1.049 182 V CB -1.090 30.528 31.823 -0.343 0.000 0.662 182 V HN 0.586 nan 8.190 nan 0.000 0.455 183 T N -1.140 113.262 114.554 -0.253 0.000 2.904 183 T HA -0.157 4.192 4.350 -0.001 0.000 0.267 183 T C 1.724 176.292 174.700 -0.220 0.000 1.059 183 T CA 1.485 63.461 62.100 -0.206 0.000 1.137 183 T CB -0.312 68.421 68.868 -0.226 0.000 0.879 183 T HN 0.591 nan 8.240 nan 0.000 0.467 184 Y N 1.680 121.799 120.300 -0.302 0.000 2.224 184 Y HA -0.070 4.479 4.550 -0.001 0.000 0.289 184 Y C 2.190 177.933 175.900 -0.263 0.000 1.146 184 Y CA 1.228 59.159 58.100 -0.282 0.000 1.182 184 Y CB -0.379 37.947 38.460 -0.223 0.000 0.983 184 Y HN 0.125 nan 8.280 nan 0.000 0.524 185 M N -0.437 118.976 119.600 -0.312 0.000 2.086 185 M HA -0.177 4.303 4.480 -0.001 0.000 0.261 185 M C 2.502 178.683 176.300 -0.199 0.000 1.067 185 M CA 1.721 56.729 55.300 -0.487 0.000 1.116 185 M CB -0.537 31.449 32.600 -1.024 0.000 1.348 185 M HN 0.393 nan 8.290 nan 0.000 0.407 186 A N -0.165 122.542 122.820 -0.188 0.000 1.902 186 A HA -0.089 4.230 4.320 -0.001 0.000 0.217 186 A C 2.250 179.910 177.584 0.126 0.000 1.181 186 A CA 1.539 53.568 52.037 -0.012 0.000 0.623 186 A CB -0.944 18.100 19.000 0.074 0.000 0.818 186 A HN 0.295 nan 8.150 nan 0.000 0.443 187 V N 0.289 120.118 119.914 -0.142 0.000 2.307 187 V HA -0.233 3.886 4.120 -0.001 0.000 0.245 187 V C 2.760 178.701 176.094 -0.255 0.000 1.045 187 V CA 2.043 64.168 62.300 -0.291 0.000 1.024 187 V CB -0.859 30.441 31.823 -0.872 0.000 0.651 187 V HN 0.602 nan 8.190 nan 0.000 0.449 188 V N -1.741 117.969 119.914 -0.339 0.000 2.515 188 V HA -0.216 3.903 4.120 -0.001 0.000 0.250 188 V C 2.235 178.349 176.094 0.033 0.000 1.058 188 V CA 2.051 64.233 62.300 -0.198 0.000 1.064 188 V CB -1.145 30.518 31.823 -0.266 0.000 0.675 188 V HN 0.449 nan 8.190 nan 0.000 0.461 189 F N 0.958 120.875 119.950 -0.055 0.000 2.075 189 F HA -0.071 4.456 4.527 -0.001 0.000 0.297 189 F C 1.988 177.766 175.800 -0.037 0.000 1.113 189 F CA 1.884 59.843 58.000 -0.068 0.000 1.218 189 F CB -0.555 38.321 39.000 -0.207 0.000 0.984 189 F HN 0.198 nan 8.300 nan 0.000 0.472 190 W N 0.559 121.934 121.300 0.126 0.000 2.402 190 W HA -0.103 4.557 4.660 -0.001 0.000 0.286 190 W C 2.291 178.796 176.519 -0.022 0.000 1.221 190 W CA 0.805 58.172 57.345 0.037 0.000 1.257 190 W CB -0.473 29.056 29.460 0.115 0.000 1.120 190 W HN 0.056 nan 8.180 nan 0.000 0.551 191 L N -0.314 120.958 121.223 0.083 0.000 2.093 191 L HA -0.232 4.108 4.340 -0.001 0.000 0.208 191 L C 2.646 179.610 176.870 0.156 0.000 1.085 191 L CA 0.780 55.559 54.840 -0.102 0.000 0.755 191 L CB -0.753 41.019 42.059 -0.479 0.000 0.904 191 L HN 0.093 nan 8.230 nan 0.000 0.435 192 M N -0.485 119.187 119.600 0.121 0.000 2.086 192 M HA -0.295 4.185 4.480 -0.001 0.000 0.261 192 M C 2.260 178.639 176.300 0.132 0.000 1.067 192 M CA 1.999 57.384 55.300 0.142 0.000 1.116 192 M CB -0.790 31.864 32.600 0.090 0.000 1.348 192 M HN 0.472 nan 8.290 nan 0.000 0.407 193 W N 0.492 121.698 121.300 -0.156 0.000 2.338 193 W HA -0.328 4.331 4.660 -0.001 0.000 0.304 193 W C 2.091 178.590 176.519 -0.032 0.000 1.212 193 W CA 1.302 58.523 57.345 -0.205 0.000 1.264 193 W CB -0.691 28.557 29.460 -0.354 0.000 1.142 193 W HN 0.290 nan 8.180 nan 0.000 0.512 194 F N 1.617 121.430 119.950 -0.228 0.000 2.095 194 F HA -0.293 4.233 4.527 -0.001 0.000 0.298 194 F C 2.262 177.899 175.800 -0.271 0.000 1.104 194 F CA 2.243 60.024 58.000 -0.365 0.000 1.232 194 F CB -1.146 37.693 39.000 -0.269 0.000 0.987 194 F HN -0.104 nan 8.300 nan 0.000 0.475 195 L N 0.912 122.072 121.223 -0.105 0.000 2.083 195 L HA -0.004 4.336 4.340 -0.001 0.000 0.209 195 L C 2.336 179.140 176.870 -0.109 0.000 1.083 195 L CA 2.109 56.887 54.840 -0.103 0.000 0.752 195 L CB -1.499 40.634 42.059 0.124 0.000 0.899 195 L HN 0.186 nan 8.230 nan 0.000 0.433 196 A N -0.894 121.815 122.820 -0.185 0.000 1.929 196 A HA -0.148 4.172 4.320 -0.001 0.000 0.216 196 A C 2.441 179.759 177.584 -0.443 0.000 1.176 196 A CA 1.624 53.574 52.037 -0.144 0.000 0.628 196 A CB -1.002 17.968 19.000 -0.049 0.000 0.816 196 A HN 0.658 nan 8.150 nan 0.000 0.444 197 S N 0.273 115.367 115.700 -1.011 0.000 2.423 197 S HA -0.076 4.394 4.470 -0.001 0.000 0.231 197 S C 1.798 176.046 174.600 -0.588 0.000 1.014 197 S CA 1.196 58.812 58.200 -0.974 0.000 0.965 197 S CB -0.803 61.786 63.200 -1.018 0.000 0.785 197 S HN 0.464 nan 8.310 nan 0.000 0.495 198 L N 1.468 122.350 121.223 -0.568 0.000 2.081 198 L HA -0.087 4.253 4.340 -0.001 0.000 0.212 198 L C 2.963 179.236 176.870 -0.995 0.000 1.080 198 L CA 1.313 55.781 54.840 -0.620 0.000 0.754 198 L CB -1.439 40.316 42.059 -0.507 0.000 0.893 198 L HN 0.541 nan 8.230 nan 0.000 0.433 199 G N 0.320 108.181 108.800 -1.564 0.000 2.433 199 G HA2 -0.287 3.673 3.960 -0.001 0.000 0.216 199 G HA3 -0.287 3.673 3.960 -0.001 0.000 0.216 199 G C 1.554 176.080 174.900 -0.623 0.000 1.186 199 G CA 0.873 45.085 45.100 -1.479 0.000 0.779 199 G HN 0.250 nan 8.290 nan 0.000 0.543 200 L N 0.835 121.782 121.223 -0.460 0.000 2.093 200 L HA 0.062 4.402 4.340 -0.001 0.000 0.208 200 L C 2.868 179.627 176.870 -0.186 0.000 1.085 200 L CA 1.326 56.034 54.840 -0.219 0.000 0.755 200 L CB -0.461 41.497 42.059 -0.169 0.000 0.904 200 L HN 0.075 nan 8.230 nan 0.000 0.435 201 V N -0.299 119.445 119.914 -0.283 0.000 2.407 201 V HA -0.295 3.825 4.120 -0.001 0.000 0.248 201 V C 2.574 178.527 176.094 -0.234 0.000 1.055 201 V CA 1.988 64.130 62.300 -0.264 0.000 1.049 201 V CB -0.603 31.042 31.823 -0.297 0.000 0.662 201 V HN 0.433 nan 8.190 nan 0.000 0.455 202 L N -0.287 120.763 121.223 -0.288 0.000 2.093 202 L HA -0.168 4.171 4.340 -0.001 0.000 0.208 202 L C 2.619 179.385 176.870 -0.173 0.000 1.085 202 L CA 1.794 56.480 54.840 -0.257 0.000 0.755 202 L CB -0.475 41.388 42.059 -0.327 0.000 0.904 202 L HN 0.418 nan 8.230 nan 0.000 0.435 203 E N 0.287 120.440 120.200 -0.078 0.000 2.077 203 E HA -0.241 4.109 4.350 -0.001 0.000 0.193 203 E C 2.166 178.804 176.600 0.063 0.000 0.989 203 E CA 1.207 57.674 56.400 0.112 0.000 0.800 203 E CB 0.055 29.865 29.700 0.183 0.000 0.746 203 E HN 0.458 nan 8.360 nan 0.000 0.452 204 A N 0.552 123.368 122.820 -0.007 0.000 1.832 204 A HA -0.136 4.184 4.320 -0.001 0.000 0.214 204 A C 2.433 179.939 177.584 -0.130 0.000 1.200 204 A CA 1.579 53.590 52.037 -0.045 0.000 0.610 204 A CB -0.906 18.061 19.000 -0.057 0.000 0.842 204 A HN 0.213 nan 8.150 nan 0.000 0.444 205 V N 0.170 119.984 119.914 -0.165 0.000 2.332 205 V HA -0.256 3.864 4.120 -0.001 0.000 0.248 205 V C 2.476 178.425 176.094 -0.241 0.000 1.055 205 V CA 2.084 64.273 62.300 -0.186 0.000 1.038 205 V CB -0.763 30.958 31.823 -0.170 0.000 0.651 205 V HN 0.536 nan 8.190 nan 0.000 0.450 206 L N -2.477 118.522 121.223 -0.373 0.000 2.375 206 L HA 0.096 4.436 4.340 -0.001 0.000 0.215 206 L C 1.880 178.289 176.870 -0.769 0.000 1.108 206 L CA 0.968 55.419 54.840 -0.649 0.000 0.830 206 L CB -0.148 41.310 42.059 -1.002 0.000 0.959 206 L HN 0.298 nan 8.230 nan 0.000 0.457 207 F N -1.932 117.970 119.950 -0.080 0.000 2.102 207 F HA 0.163 4.690 4.527 -0.001 0.000 0.254 207 F C 1.870 177.615 175.800 -0.090 0.000 0.975 207 F CA -0.367 57.565 58.000 -0.113 0.000 1.176 207 F CB -0.542 38.352 39.000 -0.177 0.000 1.358 207 F HN -0.304 nan 8.300 nan 0.000 0.728 208 L N 0.495 121.772 121.223 0.089 0.000 2.013 208 L HA -0.230 4.110 4.340 -0.001 0.000 0.212 208 L C 2.294 179.022 176.870 -0.236 0.000 1.073 208 L CA 1.568 56.352 54.840 -0.093 0.000 0.753 208 L CB -1.003 40.906 42.059 -0.250 0.000 0.890 208 L HN 0.201 nan 8.230 nan 0.000 0.432 209 L N -0.101 120.948 121.223 -0.289 0.000 1.988 209 L HA -0.116 4.223 4.340 -0.001 0.000 0.207 209 L C 0.033 176.484 176.870 -0.699 0.000 1.071 209 L CA 1.404 55.863 54.840 -0.634 0.000 0.744 209 L CB -1.936 39.792 42.059 -0.552 0.000 0.893 209 L HN 0.223 nan 8.230 nan 0.000 0.433 210 P HA -0.232 nan 4.420 nan 0.000 0.219 210 P C 1.202 178.559 177.300 0.094 0.000 1.146 210 P CA 1.493 64.549 63.100 -0.074 0.000 0.808 210 P CB -0.116 31.580 31.700 -0.006 0.000 0.779 211 W N 2.626 123.858 121.300 -0.114 0.000 2.408 211 W HA -0.117 4.543 4.660 -0.001 0.000 0.311 211 W C 2.527 179.049 176.519 0.005 0.000 1.190 211 W CA 2.371 59.691 57.345 -0.041 0.000 1.321 211 W CB -1.118 28.308 29.460 -0.057 0.000 1.143 211 W HN 0.016 nan 8.180 nan 0.000 0.501 212 S N -0.860 114.814 115.700 -0.044 0.000 2.447 212 S HA -0.142 4.327 4.470 -0.001 0.000 0.233 212 S C 1.906 176.672 174.600 0.277 0.000 1.006 212 S CA 0.975 59.165 58.200 -0.016 0.000 0.957 212 S CB -1.379 61.944 63.200 0.206 0.000 0.773 212 S HN 0.371 nan 8.310 nan 0.000 0.507 213 F N 1.752 121.715 119.950 0.022 0.000 2.710 213 F HA 0.254 4.781 4.527 -0.001 0.000 0.298 213 F C 2.123 177.875 175.800 -0.080 0.000 1.137 213 F CA -0.057 57.901 58.000 -0.070 0.000 1.444 213 F CB -0.060 38.895 39.000 -0.074 0.000 1.111 213 F HN 0.506 nan 8.300 nan 0.000 0.580 214 G N 0.896 109.784 108.800 0.147 0.000 2.157 214 G HA2 -0.282 3.678 3.960 -0.001 0.000 0.239 214 G HA3 -0.282 3.678 3.960 -0.001 0.000 0.239 214 G C 0.802 175.758 174.900 0.092 0.000 0.982 214 G CA 0.195 45.341 45.100 0.076 0.000 0.650 214 G HN 0.348 nan 8.290 nan 0.000 0.527 215 L N -0.272 121.028 121.223 0.127 0.000 2.313 215 L HA 0.268 4.607 4.340 -0.001 0.000 0.214 215 L C 1.362 178.298 176.870 0.110 0.000 1.119 215 L CA 1.310 56.212 54.840 0.104 0.000 0.809 215 L CB -0.379 41.743 42.059 0.106 0.000 0.933 215 L HN 0.483 nan 8.230 nan 0.000 0.449 216 V N -5.336 114.675 119.914 0.161 0.000 2.962 216 V HA 0.410 4.530 4.120 -0.001 0.000 0.313 216 V C 0.499 176.751 176.094 0.263 0.000 1.099 216 V CA -0.793 61.614 62.300 0.178 0.000 0.971 216 V CB 2.351 34.278 31.823 0.173 0.000 1.028 216 V HN -0.110 nan 8.190 nan 0.000 0.430 217 E N 2.191 122.516 120.200 0.208 0.000 2.190 217 E HA 0.266 4.616 4.350 -0.001 0.000 0.191 217 E C 0.819 177.624 176.600 0.341 0.000 0.978 217 E CA 1.313 57.857 56.400 0.239 0.000 0.839 217 E CB 0.779 30.556 29.700 0.129 0.000 0.787 217 E HN 1.013 nan 8.360 nan 0.000 0.473 218 G N -0.192 108.704 108.800 0.160 0.000 2.680 218 G HA2 0.539 4.498 3.960 -0.001 0.000 0.290 218 G HA3 0.539 4.498 3.960 -0.001 0.000 0.290 218 G C -1.229 173.432 174.900 -0.399 0.000 1.355 218 G CA -0.414 44.659 45.100 -0.045 0.000 0.903 218 G HN -0.065 nan 8.290 nan 0.000 0.474 219 V N 0.346 119.871 119.914 -0.649 0.000 2.925 219 V HA 0.389 4.509 4.120 -0.001 0.000 0.311 219 V C -1.088 174.648 176.094 -0.597 0.000 1.104 219 V CA -0.914 60.916 62.300 -0.783 0.000 0.954 219 V CB 2.123 33.224 31.823 -1.204 0.000 1.022 219 V HN 0.797 nan 8.190 nan 0.000 0.427 220 D N 4.465 124.468 120.400 -0.662 0.000 2.325 220 D HA 0.243 4.883 4.640 -0.001 0.000 0.251 220 D C -1.805 174.222 176.300 -0.456 0.000 1.196 220 D CA -1.596 52.104 54.000 -0.499 0.000 0.866 220 D CB 2.298 42.781 40.800 -0.529 0.000 1.101 220 D HN 0.173 nan 8.370 nan 0.000 0.476 221 P HA -0.145 nan 4.420 nan 0.000 0.215 221 P C 1.563 178.735 177.300 -0.214 0.000 1.157 221 P CA 0.390 63.348 63.100 -0.237 0.000 0.868 221 P CB 0.267 31.865 31.700 -0.169 0.000 0.788 222 L N 0.220 121.318 121.223 -0.208 0.000 2.046 222 L HA -0.113 4.227 4.340 -0.001 0.000 0.208 222 L C 2.185 178.964 176.870 -0.151 0.000 1.077 222 L CA 1.744 56.485 54.840 -0.165 0.000 0.747 222 L CB -1.358 40.603 42.059 -0.163 0.000 0.896 222 L HN -0.102 nan 8.230 nan 0.000 0.432 223 V N -2.617 117.149 119.914 -0.246 0.000 2.626 223 V HA -0.053 4.067 4.120 -0.001 0.000 0.252 223 V C 2.446 178.457 176.094 -0.139 0.000 1.067 223 V CA 1.309 63.472 62.300 -0.228 0.000 1.081 223 V CB -1.691 29.839 31.823 -0.488 0.000 0.686 223 V HN 0.402 nan 8.190 nan 0.000 0.468 224 A N 1.226 123.914 122.820 -0.221 0.000 1.898 224 A HA -0.095 4.225 4.320 -0.001 0.000 0.216 224 A C 2.428 180.044 177.584 0.054 0.000 1.181 224 A CA 1.709 53.689 52.037 -0.095 0.000 0.620 224 A CB -0.502 18.392 19.000 -0.176 0.000 0.819 224 A HN 0.573 nan 8.150 nan 0.000 0.442 225 R N -0.795 119.721 120.500 0.027 0.000 2.115 225 R HA -0.051 4.288 4.340 -0.001 0.000 0.226 225 R C 2.052 178.547 176.300 0.326 0.000 1.100 225 R CA 1.622 57.805 56.100 0.137 0.000 0.980 225 R CB -0.918 29.405 30.300 0.038 0.000 0.875 225 R HN 0.496 nan 8.270 nan 0.000 0.445 226 T N 2.040 116.748 114.554 0.256 0.000 2.777 226 T HA -0.021 4.329 4.350 -0.001 0.000 0.266 226 T C 2.010 176.981 174.700 0.451 0.000 1.040 226 T CA 0.931 63.270 62.100 0.398 0.000 1.141 226 T CB -0.082 68.970 68.868 0.307 0.000 0.868 226 T HN 0.117 nan 8.240 nan 0.000 0.444 227 L N -0.249 121.148 121.223 0.291 0.000 2.156 227 L HA 0.069 4.409 4.340 -0.001 0.000 0.208 227 L C 2.214 179.127 176.870 0.072 0.000 1.095 227 L CA 0.937 55.872 54.840 0.158 0.000 0.770 227 L CB -0.482 41.637 42.059 0.099 0.000 0.914 227 L HN 0.193 nan 8.230 nan 0.000 0.439 228 F N -0.134 119.789 119.950 -0.045 0.000 2.102 228 F HA -0.223 4.304 4.527 -0.000 0.000 0.298 228 F C 1.907 177.528 175.800 -0.299 0.000 1.105 228 F CA 1.500 59.349 58.000 -0.251 0.000 1.239 228 F CB -0.367 38.383 39.000 -0.418 0.000 0.991 228 F HN -0.022 nan 8.300 nan 0.000 0.474 229 W N -0.612 120.802 121.300 0.191 0.000 2.825 229 W HA -0.127 4.532 4.660 -0.001 0.000 0.243 229 W C 2.142 178.740 176.519 0.131 0.000 1.293 229 W CA 0.285 57.678 57.345 0.080 0.000 1.403 229 W CB -0.511 29.086 29.460 0.228 0.000 1.134 229 W HN 0.300 nan 8.180 nan 0.000 0.666 230 W N 0.811 122.138 121.300 0.045 0.000 2.381 230 W HA -0.135 4.525 4.660 -0.001 0.000 0.301 230 W C 1.299 177.695 176.519 -0.205 0.000 1.205 230 W CA 2.066 59.264 57.345 -0.245 0.000 1.285 230 W CB -0.939 28.211 29.460 -0.517 0.000 1.133 230 W HN -0.273 nan 8.180 nan 0.000 0.521 231 T N 0.001 114.616 114.554 0.101 0.000 3.031 231 T HA 0.067 4.417 4.350 -0.001 0.000 0.254 231 T C 1.979 176.572 174.700 -0.179 0.000 1.060 231 T CA 1.203 63.259 62.100 -0.074 0.000 1.135 231 T CB -0.692 67.989 68.868 -0.311 0.000 0.896 231 T HN 0.216 nan 8.240 nan 0.000 0.472 232 G N 0.884 109.439 108.800 -0.408 0.000 2.503 232 G HA2 -0.333 3.627 3.960 -0.001 0.000 0.221 232 G HA3 -0.333 3.627 3.960 -0.001 0.000 0.221 232 G C 1.307 176.238 174.900 0.050 0.000 1.131 232 G CA 1.551 46.389 45.100 -0.437 0.000 0.756 232 G HN 0.578 nan 8.290 nan 0.000 0.572 233 H N 1.564 120.757 119.070 0.205 0.000 2.306 233 H HA 0.052 4.607 4.556 -0.001 0.000 0.307 233 H C 0.163 175.627 175.328 0.228 0.000 1.061 233 H CA 1.343 57.573 56.048 0.303 0.000 1.359 233 H CB -0.393 29.605 29.762 0.394 0.000 1.407 233 H HN 0.252 nan 8.280 nan 0.000 0.517 234 P HA -0.160 nan 4.420 nan 0.000 0.221 234 P C 1.712 179.002 177.300 -0.016 0.000 1.145 234 P CA 1.224 64.436 63.100 0.186 0.000 0.795 234 P CB -0.001 31.844 31.700 0.243 0.000 0.775 235 I N 0.585 121.043 120.570 -0.188 0.000 2.493 235 I HA -0.167 4.003 4.170 -0.001 0.000 0.254 235 I C 2.168 177.590 176.117 -1.159 0.000 1.160 235 I CA 0.972 61.993 61.300 -0.465 0.000 1.445 235 I CB 0.013 37.758 38.000 -0.424 0.000 1.086 235 I HN -0.160 nan 8.210 nan 0.000 0.433 236 V N -2.020 117.145 119.914 -1.249 0.000 2.871 236 V HA -0.207 3.912 4.120 -0.001 0.000 0.256 236 V C 2.093 177.719 176.094 -0.780 0.000 1.082 236 V CA 1.109 62.638 62.300 -1.286 0.000 1.105 236 V CB -1.272 30.018 31.823 -0.889 0.000 0.713 236 V HN 0.346 nan 8.190 nan 0.000 0.473 237 Y N -0.033 120.021 120.300 -0.411 0.000 2.395 237 Y HA 0.123 4.673 4.550 -0.000 0.000 0.293 237 Y C 2.204 177.968 175.900 -0.227 0.000 1.123 237 Y CA 1.356 59.249 58.100 -0.345 0.000 1.227 237 Y CB -0.527 37.758 38.460 -0.292 0.000 1.012 237 Y HN 0.353 nan 8.280 nan 0.000 0.552 238 F N -0.925 118.839 119.950 -0.310 0.000 2.186 238 F HA -0.216 4.311 4.527 -0.001 0.000 0.299 238 F C 1.513 177.281 175.800 -0.054 0.000 1.090 238 F CA 1.134 58.947 58.000 -0.311 0.000 1.307 238 F CB -0.159 38.373 39.000 -0.779 0.000 1.019 238 F HN -0.027 nan 8.300 nan 0.000 0.489 239 W N 0.175 121.286 121.300 -0.316 0.000 2.409 239 W HA -0.069 4.591 4.660 -0.001 0.000 0.299 239 W C 2.169 178.482 176.519 -0.344 0.000 1.203 239 W CA 0.436 57.547 57.345 -0.389 0.000 1.298 239 W CB -1.468 27.840 29.460 -0.253 0.000 1.127 239 W HN 0.144 nan 8.180 nan 0.000 0.528 240 L N 0.350 121.506 121.223 -0.111 0.000 2.005 240 L HA -0.151 4.189 4.340 -0.001 0.000 0.207 240 L C 2.294 178.920 176.870 -0.407 0.000 1.072 240 L CA 1.615 56.263 54.840 -0.321 0.000 0.744 240 L CB -1.309 40.444 42.059 -0.510 0.000 0.895 240 L HN -0.211 nan 8.230 nan 0.000 0.433 241 L N 0.009 121.007 121.223 -0.376 0.000 2.089 241 L HA -0.196 4.144 4.340 -0.001 0.000 0.213 241 L C -0.389 176.379 176.870 -0.170 0.000 1.079 241 L CA 2.257 56.936 54.840 -0.268 0.000 0.758 241 L CB -2.244 39.706 42.059 -0.181 0.000 0.891 241 L HN 0.248 nan 8.230 nan 0.000 0.433 242 P HA -0.137 nan 4.420 nan 0.000 0.218 242 P C 1.472 178.748 177.300 -0.040 0.000 1.149 242 P CA 1.711 64.598 63.100 -0.355 0.000 0.817 242 P CB 0.002 31.427 31.700 -0.459 0.000 0.785 243 A N -1.790 121.055 122.820 0.042 0.000 1.929 243 A HA -0.161 4.158 4.320 -0.001 0.000 0.216 243 A C 2.156 179.879 177.584 0.231 0.000 1.176 243 A CA 1.091 53.214 52.037 0.142 0.000 0.628 243 A CB -1.758 17.265 19.000 0.039 0.000 0.816 243 A HN 0.178 nan 8.150 nan 0.000 0.444 244 Y N -0.349 120.000 120.300 0.081 0.000 2.242 244 Y HA -0.190 4.359 4.550 -0.001 0.000 0.291 244 Y C 2.953 179.096 175.900 0.406 0.000 1.137 244 Y CA 0.308 58.543 58.100 0.226 0.000 1.181 244 Y CB -0.092 38.574 38.460 0.342 0.000 0.989 244 Y HN 0.426 nan 8.280 nan 0.000 0.527 245 A N 0.504 123.615 122.820 0.484 0.000 1.902 245 A HA -0.198 4.122 4.320 -0.001 0.000 0.217 245 A C 2.078 179.771 177.584 0.183 0.000 1.181 245 A CA 1.597 53.772 52.037 0.230 0.000 0.623 245 A CB -0.912 18.096 19.000 0.014 0.000 0.818 245 A HN 0.487 nan 8.150 nan 0.000 0.443 246 I N -0.585 120.091 120.570 0.176 0.000 2.353 246 I HA -0.184 3.985 4.170 -0.001 0.000 0.248 246 I C 2.147 178.309 176.117 0.075 0.000 1.119 246 I CA 1.038 62.422 61.300 0.141 0.000 1.417 246 I CB -0.229 37.913 38.000 0.237 0.000 1.078 246 I HN 0.270 nan 8.210 nan 0.000 0.421 247 I N -0.593 120.027 120.570 0.084 0.000 2.493 247 I HA -0.276 3.893 4.170 -0.001 0.000 0.254 247 I C 2.153 178.222 176.117 -0.079 0.000 1.160 247 I CA 1.579 62.857 61.300 -0.037 0.000 1.445 247 I CB -0.205 37.740 38.000 -0.092 0.000 1.086 247 I HN 0.194 nan 8.210 nan 0.000 0.433 248 Y N 0.352 120.655 120.300 0.005 0.000 2.262 248 Y HA -0.149 4.400 4.550 -0.001 0.000 0.295 248 Y C 2.905 178.778 175.900 -0.044 0.000 1.121 248 Y CA 1.528 59.611 58.100 -0.028 0.000 1.144 248 Y CB -0.047 38.406 38.460 -0.012 0.000 1.043 248 Y HN 0.168 nan 8.280 nan 0.000 0.528 249 T N -2.777 111.869 114.554 0.152 0.000 3.065 249 T HA 0.154 4.504 4.350 -0.001 0.000 0.252 249 T C 1.276 176.025 174.700 0.082 0.000 1.099 249 T CA 0.600 62.758 62.100 0.097 0.000 1.063 249 T CB -0.106 68.824 68.868 0.103 0.000 0.948 249 T HN 0.272 nan 8.240 nan 0.000 0.506 250 I N -0.847 119.712 120.570 -0.017 0.000 4.033 250 I HA 0.282 4.452 4.170 -0.001 0.000 0.296 250 I C 1.823 177.824 176.117 -0.194 0.000 1.210 250 I CA -0.062 61.132 61.300 -0.177 0.000 1.341 250 I CB 0.149 37.891 38.000 -0.431 0.000 1.369 250 I HN 0.101 nan 8.210 nan 0.000 0.453 251 L N 3.137 124.278 121.223 -0.137 0.000 2.079 251 L HA -0.060 4.280 4.340 -0.001 0.000 0.210 251 L C -0.771 176.088 176.870 -0.018 0.000 1.081 251 L CA 2.468 57.259 54.840 -0.082 0.000 0.752 251 L CB -1.406 40.611 42.059 -0.070 0.000 0.896 251 L HN 0.039 nan 8.230 nan 0.000 0.433 252 P HA -0.210 nan 4.420 nan 0.000 0.216 252 P C 1.464 178.757 177.300 -0.011 0.000 1.150 252 P CA 1.577 64.673 63.100 -0.006 0.000 0.837 252 P CB -0.033 31.654 31.700 -0.022 0.000 0.786 253 K N -0.081 120.296 120.400 -0.040 0.000 2.062 253 K HA -0.144 4.176 4.320 -0.001 0.000 0.205 253 K C 2.121 178.681 176.600 -0.068 0.000 1.051 253 K CA 1.235 57.493 56.287 -0.048 0.000 0.941 253 K CB -0.222 32.240 32.500 -0.064 0.000 0.719 253 K HN 0.063 nan 8.250 nan 0.000 0.440 254 Q N -0.346 119.403 119.800 -0.085 0.000 2.226 254 Q HA -0.084 4.256 4.340 -0.001 0.000 0.204 254 Q C 1.824 177.777 176.000 -0.079 0.000 0.975 254 Q CA 1.297 57.058 55.803 -0.070 0.000 0.866 254 Q CB 0.003 28.702 28.738 -0.065 0.000 0.915 254 Q HN 0.393 nan 8.270 nan 0.000 0.440 255 A N -0.123 122.666 122.820 -0.052 0.000 2.119 255 A HA 0.214 4.533 4.320 -0.001 0.000 0.216 255 A C 1.475 178.926 177.584 -0.222 0.000 1.152 255 A CA 0.934 52.838 52.037 -0.222 0.000 0.708 255 A CB -0.199 18.812 19.000 0.019 0.000 0.805 255 A HN 0.444 nan 8.150 nan 0.000 0.460 256 G N -2.698 106.035 108.800 -0.112 0.000 2.140 256 G HA2 0.180 4.139 3.960 -0.001 0.000 0.211 256 G HA3 0.180 4.139 3.960 -0.001 0.000 0.211 256 G C 0.568 175.464 174.900 -0.008 0.000 1.013 256 G CA 0.389 45.443 45.100 -0.077 0.000 0.705 256 G HN 1.495 nan 8.290 nan 0.000 0.508 257 G N -0.998 107.832 108.800 0.049 0.000 3.137 257 G HA2 0.785 4.745 3.960 -0.001 0.000 0.196 257 G HA3 0.785 4.745 3.960 -0.001 0.000 0.196 257 G C -0.642 174.337 174.900 0.132 0.000 1.135 257 G CA -0.142 45.072 45.100 0.191 0.000 0.803 257 G HN 0.490 nan 8.290 nan 0.000 0.619 258 K N -0.991 119.457 120.400 0.079 0.000 2.509 258 K HA 0.495 4.814 4.320 -0.001 0.000 0.266 258 K C -1.678 174.822 176.600 -0.167 0.000 0.987 258 K CA -0.883 55.359 56.287 -0.076 0.000 0.868 258 K CB 2.610 35.030 32.500 -0.134 0.000 1.421 258 K HN 0.341 nan 8.250 nan 0.000 0.444 259 L N 2.673 123.819 121.223 -0.129 0.000 2.369 259 L HA 0.066 4.406 4.340 -0.001 0.000 0.279 259 L C 0.864 177.619 176.870 -0.192 0.000 1.108 259 L CA 0.115 54.889 54.840 -0.110 0.000 0.852 259 L CB 1.063 43.092 42.059 -0.050 0.000 1.169 259 L HN 0.636 nan 8.230 nan 0.000 0.452 260 V N 1.742 121.516 119.914 -0.232 0.000 2.913 260 V HA 0.109 4.229 4.120 -0.001 0.000 0.260 260 V C 0.849 176.846 176.094 -0.162 0.000 1.098 260 V CA 1.080 63.213 62.300 -0.279 0.000 1.121 260 V CB -0.676 30.973 31.823 -0.289 0.000 0.714 260 V HN 0.869 nan 8.190 nan 0.000 0.487 261 S N -0.310 115.329 115.700 -0.101 0.000 2.616 261 S HA 0.230 4.700 4.470 -0.001 0.000 0.276 261 S C 0.229 174.775 174.600 -0.091 0.000 1.159 261 S CA -0.101 58.052 58.200 -0.079 0.000 1.000 261 S CB 1.476 64.651 63.200 -0.041 0.000 1.117 261 S HN 0.545 nan 8.310 nan 0.000 0.464 262 D N 4.625 124.954 120.400 -0.117 0.000 2.091 262 D HA 0.024 4.663 4.640 -0.001 0.000 0.199 262 D C -1.091 175.103 176.300 -0.178 0.000 0.980 262 D CA 1.195 55.102 54.000 -0.156 0.000 0.831 262 D CB -0.727 39.984 40.800 -0.149 0.000 0.987 262 D HN 0.442 nan 8.370 nan 0.000 0.460 263 P HA -0.119 nan 4.420 nan 0.000 0.216 263 P C 1.740 178.960 177.300 -0.135 0.000 1.153 263 P CA 1.336 64.347 63.100 -0.149 0.000 0.858 263 P CB -0.062 31.573 31.700 -0.109 0.000 0.789 264 M N -1.323 118.220 119.600 -0.096 0.000 2.229 264 M HA -0.043 4.437 4.480 -0.001 0.000 0.264 264 M C 2.062 178.295 176.300 -0.110 0.000 1.063 264 M CA 1.530 56.794 55.300 -0.059 0.000 1.114 264 M CB -1.902 30.708 32.600 0.017 0.000 1.387 264 M HN -0.105 nan 8.290 nan 0.000 0.420 265 A N 0.281 122.955 122.820 -0.245 0.000 1.898 265 A HA -0.146 4.173 4.320 -0.001 0.000 0.216 265 A C 2.354 179.769 177.584 -0.282 0.000 1.181 265 A CA 1.342 53.019 52.037 -0.600 0.000 0.620 265 A CB -0.516 18.030 19.000 -0.757 0.000 0.819 265 A HN 0.439 nan 8.150 nan 0.000 0.442 266 R N -1.105 119.274 120.500 -0.202 0.000 2.081 266 R HA -0.119 4.221 4.340 -0.001 0.000 0.235 266 R C 2.108 178.445 176.300 0.061 0.000 1.131 266 R CA 1.432 57.490 56.100 -0.070 0.000 0.960 266 R CB -0.595 29.489 30.300 -0.361 0.000 0.856 266 R HN 0.481 nan 8.270 nan 0.000 0.436 267 L N 0.909 122.100 121.223 -0.054 0.000 2.046 267 L HA -0.110 4.230 4.340 -0.001 0.000 0.208 267 L C 2.256 179.100 176.870 -0.044 0.000 1.077 267 L CA 1.972 56.769 54.840 -0.071 0.000 0.747 267 L CB -0.745 41.255 42.059 -0.097 0.000 0.896 267 L HN 0.139 nan 8.230 nan 0.000 0.432 268 A N -0.842 121.979 122.820 0.001 0.000 1.865 268 A HA -0.245 4.075 4.320 -0.001 0.000 0.217 268 A C 2.148 179.745 177.584 0.021 0.000 1.191 268 A CA 2.137 54.160 52.037 -0.024 0.000 0.623 268 A CB -1.206 17.888 19.000 0.157 0.000 0.826 268 A HN 0.458 nan 8.150 nan 0.000 0.444 269 F N -0.831 119.183 119.950 0.108 0.000 2.216 269 F HA -0.105 4.422 4.527 -0.001 0.000 0.300 269 F C 2.034 177.911 175.800 0.128 0.000 1.085 269 F CA 1.331 59.477 58.000 0.243 0.000 1.326 269 F CB -0.433 38.660 39.000 0.154 0.000 1.027 269 F HN 0.264 nan 8.300 nan 0.000 0.497 270 L N -0.117 121.214 121.223 0.180 0.000 2.056 270 L HA -0.130 4.210 4.340 -0.001 0.000 0.207 270 L C 1.988 178.808 176.870 -0.083 0.000 1.078 270 L CA 1.708 56.548 54.840 0.001 0.000 0.749 270 L CB -0.819 41.154 42.059 -0.142 0.000 0.901 270 L HN 0.102 nan 8.230 nan 0.000 0.433 271 L N -1.709 119.425 121.223 -0.148 0.000 2.131 271 L HA -0.208 4.131 4.340 -0.001 0.000 0.210 271 L C 2.412 179.195 176.870 -0.146 0.000 1.092 271 L CA 1.278 55.998 54.840 -0.200 0.000 0.759 271 L CB -0.598 41.283 42.059 -0.297 0.000 0.903 271 L HN 0.228 nan 8.230 nan 0.000 0.435 272 F N -0.472 119.442 119.950 -0.059 0.000 2.186 272 F HA -0.237 4.290 4.527 -0.001 0.000 0.299 272 F C 2.345 178.109 175.800 -0.060 0.000 1.090 272 F CA 0.594 58.533 58.000 -0.101 0.000 1.307 272 F CB -0.091 38.836 39.000 -0.122 0.000 1.019 272 F HN 0.051 nan 8.300 nan 0.000 0.489 273 L N -0.113 121.210 121.223 0.166 0.000 2.083 273 L HA -0.180 4.160 4.340 -0.001 0.000 0.209 273 L C 1.767 178.700 176.870 0.104 0.000 1.083 273 L CA 1.750 56.670 54.840 0.133 0.000 0.752 273 L CB -0.662 41.471 42.059 0.122 0.000 0.899 273 L HN -0.008 nan 8.230 nan 0.000 0.433 274 L N -0.987 120.274 121.223 0.064 0.000 2.179 274 L HA 0.012 4.351 4.340 -0.001 0.000 0.208 274 L C 2.082 178.962 176.870 0.016 0.000 1.096 274 L CA 1.418 56.286 54.840 0.047 0.000 0.779 274 L CB -0.691 41.389 42.059 0.036 0.000 0.922 274 L HN 0.264 nan 8.230 nan 0.000 0.443 275 L N -2.583 118.643 121.223 0.005 0.000 2.664 275 L HA 0.175 4.514 4.340 -0.001 0.000 0.233 275 L C 2.026 178.872 176.870 -0.039 0.000 1.113 275 L CA -0.037 54.793 54.840 -0.017 0.000 0.896 275 L CB -0.063 41.990 42.059 -0.010 0.000 1.163 275 L HN -0.015 nan 8.230 nan 0.000 0.497 276 S N -0.168 115.520 115.700 -0.019 0.000 2.402 276 S HA -0.113 4.357 4.470 -0.001 0.000 0.229 276 S C 1.960 176.665 174.600 0.174 0.000 1.021 276 S CA 1.814 60.015 58.200 0.002 0.000 0.974 276 S CB -0.054 63.157 63.200 0.018 0.000 0.800 276 S HN 0.427 nan 8.310 nan 0.000 0.484 277 T N 1.944 116.524 114.554 0.044 0.000 2.939 277 T HA 0.039 4.389 4.350 -0.001 0.000 0.254 277 T C -1.423 173.206 174.700 -0.117 0.000 1.041 277 T CA 0.481 62.555 62.100 -0.043 0.000 1.142 277 T CB -0.927 67.838 68.868 -0.172 0.000 0.874 277 T HN 0.358 nan 8.240 nan 0.000 0.452 278 P HA 0.198 nan 4.420 nan 0.000 0.243 278 P C 0.357 177.348 177.300 -0.516 0.000 1.668 278 P CA 0.331 63.277 63.100 -0.256 0.000 0.898 278 P CB -0.473 31.063 31.700 -0.274 0.000 1.637 279 V N -5.166 114.586 119.914 -0.269 0.000 3.398 279 V HA 0.381 4.501 4.120 -0.001 0.000 0.298 279 V C 2.157 178.172 176.094 -0.132 0.000 1.496 279 V CA 0.672 62.813 62.300 -0.264 0.000 1.044 279 V CB -0.458 31.296 31.823 -0.114 0.000 0.880 279 V HN 0.095 nan 8.190 nan 0.000 0.443 280 G N 1.038 109.877 108.800 0.066 0.000 2.550 280 G HA2 -0.267 3.692 3.960 -0.001 0.000 0.222 280 G HA3 -0.267 3.692 3.960 -0.001 0.000 0.222 280 G C 1.246 176.194 174.900 0.081 0.000 1.113 280 G CA 1.506 46.708 45.100 0.171 0.000 0.748 280 G HN 0.602 nan 8.290 nan 0.000 0.585 281 F N 0.962 120.833 119.950 -0.131 0.000 2.494 281 F HA -0.081 4.446 4.527 -0.001 0.000 0.298 281 F C 2.517 177.856 175.800 -0.770 0.000 1.106 281 F CA 0.689 58.413 58.000 -0.461 0.000 1.452 281 F CB -0.207 38.356 39.000 -0.727 0.000 1.085 281 F HN 0.458 nan 8.300 nan 0.000 0.569 282 H N -1.733 116.961 119.070 -0.626 0.000 2.563 282 H HA -0.024 4.532 4.556 -0.001 0.000 0.272 282 H C 0.879 175.463 175.328 -1.239 0.000 1.005 282 H CA 0.669 55.832 56.048 -1.475 0.000 1.171 282 H CB -0.453 28.866 29.762 -0.738 0.000 1.351 282 H HN 0.435 nan 8.280 nan 0.000 0.602 283 H N 0.469 119.122 119.070 -0.695 0.000 2.652 283 H HA 0.183 4.738 4.556 -0.001 0.000 0.274 283 H C 0.497 175.477 175.328 -0.580 0.000 1.021 283 H CA 0.076 55.675 56.048 -0.747 0.000 1.187 283 H CB 1.003 29.744 29.762 -1.702 0.000 1.505 283 H HN 0.556 nan 8.280 nan 0.000 0.530 284 Q N -0.223 119.337 119.800 -0.399 0.000 2.135 284 Q HA 0.163 4.503 4.340 -0.001 0.000 0.231 284 Q C 0.722 176.609 176.000 -0.188 0.000 0.817 284 Q CA -0.269 55.401 55.803 -0.222 0.000 1.073 284 Q CB 0.505 29.168 28.738 -0.125 0.000 1.176 284 Q HN 0.329 nan 8.270 nan 0.000 0.478 285 F N 0.563 120.379 119.950 -0.223 0.000 2.216 285 F HA -0.151 4.375 4.527 -0.001 0.000 0.300 285 F C 1.963 177.782 175.800 0.031 0.000 1.085 285 F CA 0.691 58.570 58.000 -0.201 0.000 1.326 285 F CB 0.299 39.084 39.000 -0.357 0.000 1.027 285 F HN 0.197 nan 8.300 nan 0.000 0.497 286 A N -0.945 121.945 122.820 0.117 0.000 2.370 286 A HA 0.096 4.416 4.320 -0.001 0.000 0.238 286 A C -0.439 177.219 177.584 0.123 0.000 1.289 286 A CA -0.034 52.135 52.037 0.220 0.000 0.885 286 A CB -0.570 18.492 19.000 0.104 0.000 0.961 286 A HN 0.027 nan 8.150 nan 0.000 0.499 287 D N 1.325 121.760 120.400 0.058 0.000 2.163 287 D HA 0.452 5.092 4.640 -0.001 0.000 0.248 287 D C -2.336 173.959 176.300 -0.009 0.000 1.035 287 D CA -1.369 52.632 54.000 0.003 0.000 0.872 287 D CB 1.395 42.162 40.800 -0.054 0.000 1.183 287 D HN 0.174 nan 8.370 nan 0.000 0.445 288 P HA 0.234 nan 4.420 nan 0.000 0.278 288 P C 0.591 177.850 177.300 -0.068 0.000 1.266 288 P CA -0.368 62.712 63.100 -0.034 0.000 0.807 288 P CB 0.936 32.613 31.700 -0.038 0.000 1.094 289 G N 0.268 109.031 108.800 -0.061 0.000 2.168 289 G HA2 -0.235 3.725 3.960 -0.001 0.000 0.263 289 G HA3 -0.235 3.725 3.960 -0.001 0.000 0.263 289 G C 0.050 174.887 174.900 -0.106 0.000 0.977 289 G CA 0.117 45.170 45.100 -0.078 0.000 0.659 289 G HN 0.524 nan 8.290 nan 0.000 0.533 290 I N 0.990 121.485 120.570 -0.125 0.000 2.410 290 I HA 0.228 4.397 4.170 -0.001 0.000 0.286 290 I C 0.092 176.155 176.117 -0.089 0.000 1.009 290 I CA -0.885 60.285 61.300 -0.218 0.000 1.111 290 I CB 1.473 39.215 38.000 -0.432 0.000 1.262 290 I HN 0.115 nan 8.210 nan 0.000 0.443 291 D N 8.198 128.604 120.400 0.009 0.000 2.583 291 D HA -0.044 4.595 4.640 -0.001 0.000 0.232 291 D C -1.616 174.768 176.300 0.140 0.000 1.128 291 D CA -0.441 53.637 54.000 0.129 0.000 0.859 291 D CB 1.137 42.116 40.800 0.299 0.000 1.169 291 D HN 0.266 nan 8.370 nan 0.000 0.481 292 P HA -0.113 nan 4.420 nan 0.000 0.218 292 P C 1.092 178.526 177.300 0.223 0.000 1.149 292 P CA 1.011 64.263 63.100 0.253 0.000 0.817 292 P CB 0.224 32.067 31.700 0.238 0.000 0.785 293 T N -1.870 112.744 114.554 0.101 0.000 2.708 293 T HA -0.176 4.174 4.350 -0.001 0.000 0.266 293 T C 1.379 176.049 174.700 -0.050 0.000 1.037 293 T CA 1.315 63.399 62.100 -0.026 0.000 1.146 293 T CB -1.018 67.737 68.868 -0.188 0.000 0.865 293 T HN 0.201 nan 8.240 nan 0.000 0.435 294 W N 1.740 123.088 121.300 0.080 0.000 2.363 294 W HA -0.019 4.641 4.660 -0.001 0.000 0.296 294 W C 2.465 179.073 176.519 0.149 0.000 1.212 294 W CA 0.532 57.957 57.345 0.134 0.000 1.260 294 W CB -0.083 29.460 29.460 0.138 0.000 1.131 294 W HN 0.207 nan 8.180 nan 0.000 0.530 295 K N -0.688 119.847 120.400 0.224 0.000 2.097 295 K HA -0.205 4.114 4.320 -0.001 0.000 0.205 295 K C 1.941 178.510 176.600 -0.051 0.000 1.050 295 K CA 1.520 57.811 56.287 0.007 0.000 0.938 295 K CB -0.453 31.833 32.500 -0.357 0.000 0.718 295 K HN 0.080 nan 8.250 nan 0.000 0.442 296 M N 1.397 121.015 119.600 0.030 0.000 2.132 296 M HA -0.081 4.398 4.480 -0.001 0.000 0.263 296 M C 1.760 178.108 176.300 0.081 0.000 1.065 296 M CA 1.473 56.849 55.300 0.126 0.000 1.122 296 M CB -0.146 32.575 32.600 0.201 0.000 1.365 296 M HN 0.062 nan 8.290 nan 0.000 0.411 297 I N -0.681 119.940 120.570 0.085 0.000 2.163 297 I HA -0.350 3.820 4.170 -0.001 0.000 0.243 297 I C 2.140 178.299 176.117 0.070 0.000 1.085 297 I CA 1.482 62.812 61.300 0.050 0.000 1.347 297 I CB -0.829 37.213 38.000 0.071 0.000 1.044 297 I HN 0.342 nan 8.210 nan 0.000 0.408 298 H N -0.406 118.668 119.070 0.007 0.000 2.421 298 H HA -0.133 4.423 4.556 -0.001 0.000 0.298 298 H C 2.510 177.830 175.328 -0.013 0.000 1.087 298 H CA 1.503 57.510 56.048 -0.069 0.000 1.330 298 H CB -0.213 29.471 29.762 -0.129 0.000 1.388 298 H HN 0.182 nan 8.280 nan 0.000 0.526 299 S N -0.612 115.194 115.700 0.177 0.000 2.356 299 S HA -0.128 4.342 4.470 -0.001 0.000 0.223 299 S C 2.346 176.934 174.600 -0.021 0.000 1.032 299 S CA 1.160 59.461 58.200 0.168 0.000 1.005 299 S CB -0.502 62.784 63.200 0.144 0.000 0.867 299 S HN 0.191 nan 8.310 nan 0.000 0.449 300 V N 2.312 122.148 119.914 -0.130 0.000 2.255 300 V HA -0.168 3.951 4.120 -0.001 0.000 0.247 300 V C 2.425 178.116 176.094 -0.672 0.000 1.051 300 V CA 1.997 64.070 62.300 -0.377 0.000 1.018 300 V CB -0.706 30.872 31.823 -0.408 0.000 0.641 300 V HN 0.491 nan 8.190 nan 0.000 0.445 301 L N -0.376 120.541 121.223 -0.511 0.000 2.127 301 L HA -0.203 4.137 4.340 -0.001 0.000 0.211 301 L C 2.559 179.314 176.870 -0.192 0.000 1.089 301 L CA 1.954 56.544 54.840 -0.417 0.000 0.757 301 L CB -0.975 40.911 42.059 -0.287 0.000 0.899 301 L HN 0.392 nan 8.230 nan 0.000 0.434 302 T N 0.102 114.586 114.554 -0.118 0.000 2.821 302 T HA -0.112 4.238 4.350 -0.001 0.000 0.267 302 T C 1.965 176.667 174.700 0.002 0.000 1.046 302 T CA 1.017 63.098 62.100 -0.032 0.000 1.139 302 T CB -0.148 68.722 68.868 0.003 0.000 0.871 302 T HN 0.211 nan 8.240 nan 0.000 0.454 303 L N -0.195 121.020 121.223 -0.013 0.000 2.093 303 L HA 0.024 4.364 4.340 -0.001 0.000 0.208 303 L C 2.293 179.316 176.870 0.255 0.000 1.085 303 L CA 1.300 56.196 54.840 0.093 0.000 0.755 303 L CB -0.606 41.503 42.059 0.082 0.000 0.904 303 L HN 0.315 nan 8.230 nan 0.000 0.435 304 F N -1.165 118.783 119.950 -0.004 0.000 2.102 304 F HA -0.237 4.290 4.527 -0.001 0.000 0.298 304 F C 2.567 178.344 175.800 -0.038 0.000 1.105 304 F CA 0.734 58.720 58.000 -0.023 0.000 1.239 304 F CB -0.295 38.684 39.000 -0.035 0.000 0.991 304 F HN -0.134 nan 8.300 nan 0.000 0.474 305 V N 0.354 120.365 119.914 0.160 0.000 3.026 305 V HA -0.214 3.905 4.120 -0.001 0.000 0.265 305 V C 2.095 178.263 176.094 0.124 0.000 1.121 305 V CA 1.562 63.894 62.300 0.054 0.000 1.142 305 V CB -0.524 31.283 31.823 -0.027 0.000 0.730 305 V HN 0.296 nan 8.190 nan 0.000 0.503 306 A N -0.879 122.042 122.820 0.168 0.000 2.067 306 A HA -0.025 4.295 4.320 -0.001 0.000 0.217 306 A C 2.230 179.910 177.584 0.159 0.000 1.156 306 A CA 1.404 53.569 52.037 0.213 0.000 0.683 306 A CB -0.342 18.764 19.000 0.178 0.000 0.808 306 A HN 0.417 nan 8.150 nan 0.000 0.455 307 V N 0.684 120.646 119.914 0.081 0.000 2.287 307 V HA -0.191 3.929 4.120 -0.001 0.000 0.248 307 V C -0.051 176.029 176.094 -0.023 0.000 1.053 307 V CA 2.604 64.914 62.300 0.016 0.000 1.027 307 V CB -1.588 30.203 31.823 -0.054 0.000 0.646 307 V HN 0.364 nan 8.190 nan 0.000 0.447 308 P HA -0.132 nan 4.420 nan 0.000 0.216 308 P C 1.967 179.280 177.300 0.021 0.000 1.150 308 P CA 1.878 64.799 63.100 -0.300 0.000 0.843 308 P CB -0.067 30.964 31.700 -1.114 0.000 0.787 309 S N -1.325 114.527 115.700 0.254 0.000 2.414 309 S HA -0.004 4.466 4.470 -0.001 0.000 0.227 309 S C 1.757 176.541 174.600 0.305 0.000 1.022 309 S CA 0.770 59.257 58.200 0.479 0.000 0.958 309 S CB -0.878 62.757 63.200 0.724 0.000 0.797 309 S HN 0.095 nan 8.310 nan 0.000 0.493 310 L N 0.728 122.079 121.223 0.214 0.000 2.056 310 L HA -0.089 4.250 4.340 -0.001 0.000 0.207 310 L C 2.501 179.460 176.870 0.149 0.000 1.078 310 L CA 1.197 56.138 54.840 0.168 0.000 0.749 310 L CB -0.458 41.670 42.059 0.115 0.000 0.901 310 L HN 0.335 nan 8.230 nan 0.000 0.433 311 M N -0.960 118.707 119.600 0.112 0.000 2.117 311 M HA -0.193 4.287 4.480 -0.001 0.000 0.262 311 M C 2.291 178.692 176.300 0.168 0.000 1.065 311 M CA 1.919 57.288 55.300 0.114 0.000 1.114 311 M CB -0.514 32.122 32.600 0.060 0.000 1.361 311 M HN 0.211 nan 8.290 nan 0.000 0.408 312 T N 0.674 115.313 114.554 0.142 0.000 2.788 312 T HA -0.117 4.232 4.350 -0.001 0.000 0.268 312 T C 1.839 176.527 174.700 -0.020 0.000 1.044 312 T CA 1.429 63.551 62.100 0.037 0.000 1.139 312 T CB -0.357 68.410 68.868 -0.168 0.000 0.867 312 T HN 0.511 nan 8.240 nan 0.000 0.454 313 A N 0.808 123.686 122.820 0.097 0.000 1.908 313 A HA -0.094 4.226 4.320 -0.001 0.000 0.218 313 A C 2.018 179.664 177.584 0.103 0.000 1.181 313 A CA 1.538 53.645 52.037 0.117 0.000 0.627 313 A CB -0.938 18.178 19.000 0.193 0.000 0.818 313 A HN 0.529 nan 8.150 nan 0.000 0.445 314 F N 0.880 120.836 119.950 0.010 0.000 2.128 314 F HA -0.096 4.431 4.527 -0.001 0.000 0.295 314 F C 2.584 178.365 175.800 -0.032 0.000 1.100 314 F CA 2.151 60.147 58.000 -0.007 0.000 1.260 314 F CB -0.417 38.584 39.000 0.002 0.000 1.009 314 F HN 0.207 nan 8.300 nan 0.000 0.476 315 T N 0.025 114.620 114.554 0.067 0.000 2.720 315 T HA -0.181 4.169 4.350 -0.001 0.000 0.268 315 T C 2.098 176.705 174.700 -0.155 0.000 1.037 315 T CA 1.664 63.756 62.100 -0.013 0.000 1.144 315 T CB -0.671 68.311 68.868 0.189 0.000 0.864 315 T HN 0.115 nan 8.240 nan 0.000 0.444 316 V N 1.542 121.337 119.914 -0.199 0.000 2.307 316 V HA -0.108 4.012 4.120 -0.001 0.000 0.245 316 V C 2.905 178.881 176.094 -0.196 0.000 1.045 316 V CA 1.575 63.730 62.300 -0.240 0.000 1.024 316 V CB -1.212 30.422 31.823 -0.316 0.000 0.651 316 V HN 0.526 nan 8.190 nan 0.000 0.449 317 A N 0.151 122.849 122.820 -0.203 0.000 1.908 317 A HA -0.159 4.161 4.320 -0.001 0.000 0.218 317 A C 2.426 179.771 177.584 -0.398 0.000 1.181 317 A CA 2.206 54.115 52.037 -0.213 0.000 0.627 317 A CB -0.853 18.045 19.000 -0.170 0.000 0.818 317 A HN 0.577 nan 8.150 nan 0.000 0.445 318 A N -0.650 121.853 122.820 -0.528 0.000 1.933 318 A HA -0.077 4.243 4.320 -0.001 0.000 0.218 318 A C 2.425 179.818 177.584 -0.319 0.000 1.175 318 A CA 2.097 53.810 52.037 -0.539 0.000 0.628 318 A CB -0.799 17.809 19.000 -0.652 0.000 0.814 318 A HN 0.460 nan 8.150 nan 0.000 0.444 319 S N -0.252 115.305 115.700 -0.239 0.000 2.383 319 S HA -0.034 4.436 4.470 -0.001 0.000 0.227 319 S C 1.754 176.330 174.600 -0.040 0.000 1.026 319 S CA 1.327 59.449 58.200 -0.131 0.000 0.981 319 S CB -0.363 62.767 63.200 -0.117 0.000 0.818 319 S HN 0.527 nan 8.310 nan 0.000 0.472 320 L N 1.058 122.238 121.223 -0.072 0.000 2.156 320 L HA -0.018 4.322 4.340 -0.001 0.000 0.208 320 L C 2.651 179.504 176.870 -0.028 0.000 1.095 320 L CA 1.071 55.945 54.840 0.058 0.000 0.770 320 L CB -0.418 41.759 42.059 0.195 0.000 0.914 320 L HN 0.371 nan 8.230 nan 0.000 0.439 321 E N 0.526 120.424 120.200 -0.504 0.000 2.047 321 E HA -0.261 4.088 4.350 -0.001 0.000 0.191 321 E C 2.196 178.588 176.600 -0.346 0.000 0.987 321 E CA 1.152 56.949 56.400 -1.006 0.000 0.799 321 E CB -0.121 28.767 29.700 -1.353 0.000 0.752 321 E HN 0.352 nan 8.360 nan 0.000 0.449 322 F N 1.360 121.110 119.950 -0.334 0.000 2.126 322 F HA -0.191 4.336 4.527 -0.001 0.000 0.299 322 F C 2.074 177.810 175.800 -0.107 0.000 1.096 322 F CA 1.857 59.742 58.000 -0.193 0.000 1.255 322 F CB -0.422 38.477 39.000 -0.167 0.000 0.997 322 F HN 0.104 nan 8.300 nan 0.000 0.479 323 A N 0.125 123.014 122.820 0.115 0.000 1.969 323 A HA 0.027 4.346 4.320 -0.001 0.000 0.218 323 A C 2.446 180.014 177.584 -0.027 0.000 1.169 323 A CA 1.469 53.527 52.037 0.034 0.000 0.635 323 A CB -1.727 17.310 19.000 0.061 0.000 0.810 323 A HN 0.524 nan 8.150 nan 0.000 0.445 324 G N -0.347 108.497 108.800 0.073 0.000 2.434 324 G HA2 -0.201 3.758 3.960 -0.001 0.000 0.214 324 G HA3 -0.201 3.758 3.960 -0.001 0.000 0.214 324 G C 1.715 176.668 174.900 0.088 0.000 1.202 324 G CA 0.760 45.967 45.100 0.179 0.000 0.788 324 G HN 0.535 nan 8.290 nan 0.000 0.539 325 R N -0.545 119.975 120.500 0.033 0.000 2.159 325 R HA -0.007 4.333 4.340 -0.001 0.000 0.237 325 R C 2.423 178.640 176.300 -0.139 0.000 1.131 325 R CA 0.796 56.871 56.100 -0.041 0.000 0.982 325 R CB -0.406 29.827 30.300 -0.111 0.000 0.868 325 R HN 0.327 nan 8.270 nan 0.000 0.453 326 L N 1.602 122.677 121.223 -0.246 0.000 2.141 326 L HA -0.129 4.211 4.340 -0.001 0.000 0.209 326 L C 1.275 178.062 176.870 -0.139 0.000 1.094 326 L CA 1.656 56.330 54.840 -0.276 0.000 0.763 326 L CB -0.061 41.764 42.059 -0.390 0.000 0.908 326 L HN 0.071 nan 8.230 nan 0.000 0.437 327 R N -1.508 118.939 120.500 -0.089 0.000 3.311 327 R HA 0.507 4.846 4.340 -0.001 0.000 0.332 327 R C 0.709 176.996 176.300 -0.022 0.000 1.317 327 R CA 0.422 56.489 56.100 -0.054 0.000 1.192 327 R CB -0.309 29.957 30.300 -0.057 0.000 1.454 327 R HN 0.177 nan 8.270 nan 0.000 0.605 328 G N -0.115 108.673 108.800 -0.020 0.000 2.176 328 G HA2 -0.262 3.698 3.960 -0.001 0.000 0.232 328 G HA3 -0.262 3.698 3.960 -0.001 0.000 0.232 328 G C 0.539 175.459 174.900 0.033 0.000 0.986 328 G CA -0.473 44.630 45.100 0.004 0.000 0.643 328 G HN 0.714 nan 8.290 nan 0.000 0.522 329 G N 0.413 109.244 108.800 0.051 0.000 2.113 329 G HA2 0.246 4.206 3.960 -0.001 0.000 0.263 329 G HA3 0.246 4.206 3.960 -0.001 0.000 0.263 329 G C 1.013 175.979 174.900 0.110 0.000 0.954 329 G CA 0.976 46.151 45.100 0.125 0.000 0.996 329 G HN 0.712 nan 8.290 nan 0.000 0.381 330 R N 2.357 122.924 120.500 0.113 0.000 2.088 330 R HA 0.130 4.470 4.340 -0.001 0.000 0.195 330 R C 2.139 178.512 176.300 0.122 0.000 1.137 330 R CA 0.832 56.988 56.100 0.093 0.000 1.057 330 R CB -0.432 29.910 30.300 0.068 0.000 0.748 330 R HN 0.558 nan 8.270 nan 0.000 0.511 331 G N 0.181 109.066 108.800 0.141 0.000 3.022 331 G HA2 0.124 4.084 3.960 -0.001 0.000 0.157 331 G HA3 0.124 4.084 3.960 -0.001 0.000 0.157 331 G C 0.576 175.638 174.900 0.270 0.000 1.468 331 G CA -0.397 44.806 45.100 0.171 0.000 1.058 331 G HN 0.218 nan 8.290 nan 0.000 0.581 332 L N -1.659 119.748 121.223 0.307 0.000 2.275 332 L HA 0.316 4.656 4.340 -0.001 0.000 0.215 332 L C 1.265 178.448 176.870 0.522 0.000 1.119 332 L CA 1.646 56.739 54.840 0.421 0.000 0.790 332 L CB -0.181 42.155 42.059 0.461 0.000 0.919 332 L HN 0.313 nan 8.230 nan 0.000 0.443 333 F N -1.992 118.021 119.950 0.106 0.000 2.856 333 F HA 0.394 4.920 4.527 -0.001 0.000 0.338 333 F C 1.978 177.558 175.800 -0.367 0.000 1.100 333 F CA 0.069 57.946 58.000 -0.204 0.000 1.150 333 F CB -0.421 38.499 39.000 -0.132 0.000 1.101 333 F HN -0.068 nan 8.300 nan 0.000 0.548 334 G N 1.230 110.058 108.800 0.046 0.000 2.432 334 G HA2 -0.246 3.714 3.960 -0.001 0.000 0.219 334 G HA3 -0.246 3.714 3.960 -0.001 0.000 0.219 334 G C 1.524 176.422 174.900 -0.002 0.000 1.135 334 G CA 0.909 46.026 45.100 0.029 0.000 0.767 334 G HN 0.554 nan 8.290 nan 0.000 0.550 335 W N 0.907 122.250 121.300 0.072 0.000 2.364 335 W HA 0.009 4.669 4.660 -0.000 0.000 0.281 335 W C 1.757 178.344 176.519 0.113 0.000 1.219 335 W CA 0.287 57.661 57.345 0.048 0.000 1.220 335 W CB -1.016 28.443 29.460 -0.001 0.000 1.127 335 W HN 0.224 nan 8.180 nan 0.000 0.556 336 I N 1.669 121.822 120.570 -0.695 0.000 2.113 336 I HA -0.284 3.886 4.170 -0.001 0.000 0.238 336 I C 2.887 179.129 176.117 0.209 0.000 1.070 336 I CA 1.736 62.780 61.300 -0.427 0.000 1.332 336 I CB -0.679 36.949 38.000 -0.621 0.000 1.044 336 I HN -0.139 nan 8.210 nan 0.000 0.402 337 R N 0.796 121.334 120.500 0.064 0.000 2.193 337 R HA -0.093 4.247 4.340 -0.001 0.000 0.229 337 R C 2.205 178.656 176.300 0.253 0.000 1.110 337 R CA 1.135 57.308 56.100 0.122 0.000 0.988 337 R CB -0.353 29.938 30.300 -0.016 0.000 0.871 337 R HN 0.396 nan 8.270 nan 0.000 0.458 338 A N 0.946 123.878 122.820 0.186 0.000 2.119 338 A HA 0.014 4.334 4.320 -0.001 0.000 0.217 338 A C 0.778 178.410 177.584 0.081 0.000 1.153 338 A CA 0.412 52.527 52.037 0.130 0.000 0.692 338 A CB -0.055 19.005 19.000 0.100 0.000 0.799 338 A HN -0.003 nan 8.150 nan 0.000 0.458 339 L N -0.701 120.571 121.223 0.082 0.000 2.479 339 L HA 0.168 4.508 4.340 -0.001 0.000 0.270 339 L C -2.187 174.369 176.870 -0.524 0.000 1.236 339 L CA -1.719 52.892 54.840 -0.380 0.000 0.823 339 L CB -0.657 41.003 42.059 -0.666 0.000 1.098 339 L HN -0.006 nan 8.230 nan 0.000 0.500 340 P HA -0.007 nan 4.420 nan 0.000 0.235 340 P C -0.061 177.062 177.300 -0.295 0.000 1.720 340 P CA 0.250 63.044 63.100 -0.510 0.000 1.003 340 P CB -0.527 30.845 31.700 -0.546 0.000 1.968 341 W N 0.768 122.098 121.300 0.049 0.000 2.982 341 W HA -0.061 4.599 4.660 -0.001 0.000 0.239 341 W C 1.477 178.102 176.519 0.177 0.000 1.303 341 W CA 0.382 57.866 57.345 0.231 0.000 1.448 341 W CB -0.539 29.053 29.460 0.221 0.000 1.133 341 W HN 0.298 nan 8.180 nan 0.000 0.698 342 D N -1.056 119.480 120.400 0.226 0.000 2.327 342 D HA -0.056 4.584 4.640 -0.001 0.000 0.205 342 D C 0.300 176.665 176.300 0.108 0.000 0.989 342 D CA 0.330 54.420 54.000 0.149 0.000 0.873 342 D CB -0.419 40.430 40.800 0.082 0.000 0.955 342 D HN 0.025 nan 8.370 nan 0.000 0.515 343 N N 1.874 120.637 118.700 0.104 0.000 2.426 343 N HA 0.113 4.853 4.740 -0.001 0.000 0.257 343 N C -1.637 173.932 175.510 0.098 0.000 1.002 343 N CA -1.881 51.220 53.050 0.084 0.000 0.942 343 N CB 2.240 40.777 38.487 0.084 0.000 1.112 343 N HN -0.156 nan 8.380 nan 0.000 0.499 344 P HA -0.119 nan 4.420 nan 0.000 0.218 344 P C 0.836 178.159 177.300 0.039 0.000 1.149 344 P CA 0.882 63.919 63.100 -0.104 0.000 0.817 344 P CB 0.297 31.657 31.700 -0.566 0.000 0.785 345 A N -0.498 122.422 122.820 0.167 0.000 1.978 345 A HA -0.182 4.138 4.320 -0.001 0.000 0.220 345 A C 2.067 179.739 177.584 0.146 0.000 1.170 345 A CA 1.386 53.604 52.037 0.302 0.000 0.636 345 A CB -1.684 17.549 19.000 0.388 0.000 0.810 345 A HN 0.226 nan 8.150 nan 0.000 0.448 346 F N 0.053 119.981 119.950 -0.036 0.000 2.262 346 F HA 0.010 4.537 4.527 -0.001 0.000 0.292 346 F C 2.096 177.781 175.800 -0.190 0.000 1.081 346 F CA 1.366 59.282 58.000 -0.139 0.000 1.355 346 F CB -0.243 38.632 39.000 -0.209 0.000 1.069 346 F HN -0.007 nan 8.300 nan 0.000 0.506 347 V N 1.290 121.024 119.914 -0.300 0.000 2.261 347 V HA -0.302 3.818 4.120 -0.001 0.000 0.246 347 V C 2.843 178.688 176.094 -0.414 0.000 1.047 347 V CA 1.858 63.930 62.300 -0.380 0.000 1.015 347 V CB -1.778 30.035 31.823 -0.017 0.000 0.642 347 V HN 0.490 nan 8.190 nan 0.000 0.446 348 A N 1.463 124.138 122.820 -0.242 0.000 1.870 348 A HA -0.231 4.089 4.320 -0.001 0.000 0.219 348 A C 0.902 178.351 177.584 -0.226 0.000 1.224 348 A CA 2.732 54.656 52.037 -0.190 0.000 0.650 348 A CB -2.260 16.708 19.000 -0.052 0.000 0.836 348 A HN 0.583 nan 8.150 nan 0.000 0.454 349 P HA -0.091 nan 4.420 nan 0.000 0.217 349 P C 1.569 178.701 177.300 -0.280 0.000 1.150 349 P CA 1.763 64.744 63.100 -0.199 0.000 0.832 349 P CB -0.268 31.341 31.700 -0.152 0.000 0.787 350 V N 0.458 120.091 119.914 -0.470 0.000 2.358 350 V HA -0.197 3.923 4.120 -0.001 0.000 0.246 350 V C 2.879 178.769 176.094 -0.340 0.000 1.047 350 V CA 1.453 63.483 62.300 -0.449 0.000 1.035 350 V CB -1.253 30.114 31.823 -0.760 0.000 0.658 350 V HN 0.001 nan 8.190 nan 0.000 0.452 351 L N 0.581 121.517 121.223 -0.478 0.000 2.046 351 L HA -0.084 4.256 4.340 -0.001 0.000 0.208 351 L C 2.684 179.307 176.870 -0.412 0.000 1.077 351 L CA 1.721 56.096 54.840 -0.775 0.000 0.747 351 L CB -1.188 40.154 42.059 -1.195 0.000 0.896 351 L HN 0.479 nan 8.230 nan 0.000 0.432 352 G N 0.159 108.858 108.800 -0.168 0.000 2.442 352 G HA2 -0.235 3.725 3.960 -0.001 0.000 0.219 352 G HA3 -0.235 3.725 3.960 -0.001 0.000 0.219 352 G C 1.632 176.601 174.900 0.115 0.000 1.141 352 G CA 0.609 45.743 45.100 0.057 0.000 0.763 352 G HN 0.245 nan 8.290 nan 0.000 0.554 353 L N -0.176 121.057 121.223 0.018 0.000 2.141 353 L HA 0.077 4.417 4.340 -0.001 0.000 0.209 353 L C 2.841 179.840 176.870 0.214 0.000 1.094 353 L CA 0.256 55.155 54.840 0.098 0.000 0.763 353 L CB -0.245 41.816 42.059 0.004 0.000 0.908 353 L HN 0.191 nan 8.230 nan 0.000 0.437 354 L N -0.667 120.641 121.223 0.141 0.000 1.994 354 L HA -0.139 4.201 4.340 -0.001 0.000 0.208 354 L C 2.619 179.676 176.870 0.312 0.000 1.071 354 L CA 1.573 56.533 54.840 0.200 0.000 0.745 354 L CB -1.190 40.940 42.059 0.119 0.000 0.892 354 L HN 0.318 nan 8.230 nan 0.000 0.431 355 G N -0.985 108.077 108.800 0.437 0.000 2.471 355 G HA2 -0.297 3.663 3.960 -0.001 0.000 0.219 355 G HA3 -0.297 3.663 3.960 -0.001 0.000 0.219 355 G C 1.434 176.532 174.900 0.329 0.000 1.125 355 G CA 0.109 45.448 45.100 0.400 0.000 0.775 355 G HN 0.241 nan 8.290 nan 0.000 0.548 356 F N 1.215 121.281 119.950 0.192 0.000 2.408 356 F HA 0.097 4.624 4.527 -0.001 0.000 0.300 356 F C 2.308 178.213 175.800 0.176 0.000 1.090 356 F CA 0.351 58.459 58.000 0.180 0.000 1.427 356 F CB 0.026 39.136 39.000 0.183 0.000 1.070 356 F HN 0.097 nan 8.300 nan 0.000 0.549 357 I N 0.637 121.353 120.570 0.243 0.000 2.133 357 I HA -0.224 3.946 4.170 -0.001 0.000 0.238 357 I C -0.397 175.757 176.117 0.062 0.000 1.074 357 I CA 1.286 62.676 61.300 0.150 0.000 1.342 357 I CB -1.784 36.319 38.000 0.172 0.000 1.053 357 I HN 0.029 nan 8.210 nan 0.000 0.404 358 P HA -0.088 nan 4.420 nan 0.000 0.218 358 P C 1.577 178.870 177.300 -0.011 0.000 1.149 358 P CA 1.425 64.518 63.100 -0.011 0.000 0.817 358 P CB -0.201 31.466 31.700 -0.054 0.000 0.785 359 G N 0.044 108.848 108.800 0.006 0.000 2.446 359 G HA2 -0.238 3.721 3.960 -0.001 0.000 0.217 359 G HA3 -0.238 3.721 3.960 -0.001 0.000 0.217 359 G C 1.795 176.690 174.900 -0.008 0.000 1.168 359 G CA 1.005 46.119 45.100 0.022 0.000 0.771 359 G HN 0.354 nan 8.290 nan 0.000 0.551 360 G N 0.985 109.663 108.800 -0.203 0.000 2.402 360 G HA2 0.073 4.033 3.960 -0.001 0.000 0.216 360 G HA3 0.073 4.033 3.960 -0.001 0.000 0.216 360 G C 2.067 176.968 174.900 0.001 0.000 1.162 360 G CA 1.511 46.525 45.100 -0.145 0.000 0.777 360 G HN 0.659 nan 8.290 nan 0.000 0.539 361 A N 1.001 123.832 122.820 0.018 0.000 1.908 361 A HA 0.119 4.438 4.320 -0.001 0.000 0.218 361 A C 2.727 180.348 177.584 0.062 0.000 1.181 361 A CA 2.151 54.218 52.037 0.049 0.000 0.627 361 A CB -1.155 17.873 19.000 0.048 0.000 0.818 361 A HN 0.550 nan 8.150 nan 0.000 0.445 362 G N -0.629 108.192 108.800 0.035 0.000 2.440 362 G HA2 -0.030 3.930 3.960 -0.001 0.000 0.218 362 G HA3 -0.030 3.930 3.960 -0.001 0.000 0.218 362 G C 1.515 176.324 174.900 -0.153 0.000 1.154 362 G CA 1.346 46.441 45.100 -0.008 0.000 0.767 362 G HN 0.734 nan 8.290 nan 0.000 0.552 363 G N 0.985 109.679 108.800 -0.177 0.000 2.402 363 G HA2 -0.138 3.822 3.960 -0.001 0.000 0.216 363 G HA3 -0.138 3.822 3.960 -0.001 0.000 0.216 363 G C 1.760 176.643 174.900 -0.028 0.000 1.162 363 G CA 0.766 45.793 45.100 -0.121 0.000 0.777 363 G HN 0.450 nan 8.290 nan 0.000 0.539 364 I N 0.420 121.005 120.570 0.025 0.000 2.361 364 I HA -0.133 4.036 4.170 -0.001 0.000 0.251 364 I C 2.684 178.824 176.117 0.037 0.000 1.133 364 I CA 0.240 61.563 61.300 0.039 0.000 1.413 364 I CB -0.145 37.892 38.000 0.061 0.000 1.073 364 I HN 0.026 nan 8.210 nan 0.000 0.424 365 V N 1.287 121.241 119.914 0.066 0.000 2.244 365 V HA -0.260 3.859 4.120 -0.001 0.000 0.244 365 V C 2.160 178.279 176.094 0.041 0.000 1.042 365 V CA 1.971 64.318 62.300 0.079 0.000 1.006 365 V CB -0.786 31.155 31.823 0.197 0.000 0.641 365 V HN 0.454 nan 8.190 nan 0.000 0.446 366 N N 0.951 119.689 118.700 0.063 0.000 2.192 366 N HA -0.162 4.577 4.740 -0.001 0.000 0.188 366 N C 1.713 177.265 175.510 0.070 0.000 1.013 366 N CA 1.690 54.772 53.050 0.054 0.000 0.863 366 N CB -0.521 37.991 38.487 0.041 0.000 0.990 366 N HN 0.524 nan 8.380 nan 0.000 0.430 367 A N 0.218 123.041 122.820 0.006 0.000 2.168 367 A HA 0.043 4.363 4.320 -0.001 0.000 0.215 367 A C 1.644 179.290 177.584 0.103 0.000 1.152 367 A CA 0.478 52.544 52.037 0.050 0.000 0.716 367 A CB -0.253 18.700 19.000 -0.079 0.000 0.794 367 A HN 0.175 nan 8.150 nan 0.000 0.465 368 S N 0.251 115.950 115.700 -0.002 0.000 2.942 368 S HA 0.245 4.715 4.470 -0.001 0.000 0.244 368 S C 0.547 175.031 174.600 -0.193 0.000 1.011 368 S CA 0.025 58.186 58.200 -0.065 0.000 1.102 368 S CB -1.061 62.110 63.200 -0.049 0.000 0.812 368 S HN 0.562 nan 8.310 nan 0.000 0.486 369 F N 2.239 121.677 119.950 -0.853 0.000 2.338 369 F HA -0.480 4.047 4.527 -0.001 0.000 0.262 369 F C 2.253 177.418 175.800 -1.059 0.000 1.441 369 F CA 2.208 59.282 58.000 -1.543 0.000 2.000 369 F CB -1.938 36.590 39.000 -0.788 0.000 0.547 369 F HN 0.395 nan 8.300 nan 0.000 0.206 370 T N 0.367 114.681 114.554 -0.399 0.000 2.721 370 T HA -0.229 4.120 4.350 -0.001 0.000 0.268 370 T C 1.866 176.436 174.700 -0.216 0.000 1.038 370 T CA 2.403 64.325 62.100 -0.297 0.000 1.145 370 T CB -0.851 67.873 68.868 -0.241 0.000 0.858 370 T HN 0.369 nan 8.240 nan 0.000 0.459 371 L N 1.913 123.010 121.223 -0.209 0.000 2.265 371 L HA 0.034 4.374 4.340 -0.001 0.000 0.215 371 L C 2.392 179.151 176.870 -0.185 0.000 1.117 371 L CA 1.561 56.309 54.840 -0.154 0.000 0.782 371 L CB -1.008 40.978 42.059 -0.121 0.000 0.914 371 L HN 0.307 nan 8.230 nan 0.000 0.441 372 D N -1.112 119.123 120.400 -0.275 0.000 2.178 372 D HA -0.241 4.399 4.640 -0.001 0.000 0.201 372 D C 2.054 178.274 176.300 -0.133 0.000 0.980 372 D CA 1.195 55.078 54.000 -0.196 0.000 0.842 372 D CB -0.082 40.639 40.800 -0.131 0.000 0.948 372 D HN 0.470 nan 8.370 nan 0.000 0.472 373 Y N -0.842 119.465 120.300 0.012 0.000 2.483 373 Y HA -0.095 4.455 4.550 -0.001 0.000 0.291 373 Y C 2.275 178.177 175.900 0.003 0.000 1.143 373 Y CA -0.052 58.068 58.100 0.033 0.000 1.289 373 Y CB 0.087 38.548 38.460 0.001 0.000 0.983 373 Y HN -0.045 nan 8.280 nan 0.000 0.556 374 V N -0.709 119.230 119.914 0.041 0.000 2.407 374 V HA -0.191 3.929 4.120 -0.001 0.000 0.245 374 V C 2.004 178.024 176.094 -0.124 0.000 1.041 374 V CA 1.735 64.002 62.300 -0.055 0.000 1.040 374 V CB -0.070 31.656 31.823 -0.161 0.000 0.671 374 V HN 0.433 nan 8.190 nan 0.000 0.455 375 V N -2.968 116.815 119.914 -0.218 0.000 3.565 375 V HA 0.279 4.398 4.120 -0.001 0.000 0.260 375 V C 1.164 177.280 176.094 0.036 0.000 1.231 375 V CA -0.033 62.099 62.300 -0.281 0.000 1.100 375 V CB -0.878 30.369 31.823 -0.960 0.000 0.807 375 V HN 0.545 nan 8.190 nan 0.000 0.454 376 H N 2.581 121.670 119.070 0.032 0.000 3.167 376 H HA 0.087 4.642 4.556 -0.000 0.000 0.306 376 H C 1.031 176.461 175.328 0.171 0.000 0.965 376 H CA 1.544 57.673 56.048 0.135 0.000 1.408 376 H CB -0.712 29.145 29.762 0.159 0.000 1.406 376 H HN 0.622 nan 8.280 nan 0.000 0.576 377 N N 1.406 119.954 118.700 -0.253 0.000 2.753 377 N HA -0.258 4.482 4.740 -0.001 0.000 0.251 377 N C -0.500 175.044 175.510 0.058 0.000 1.097 377 N CA 0.775 53.736 53.050 -0.148 0.000 0.786 377 N CB -0.794 37.524 38.487 -0.283 0.000 1.137 377 N HN 0.811 nan 8.380 nan 0.000 0.566 378 T N -4.003 110.620 114.554 0.115 0.000 2.923 378 T HA 0.708 5.058 4.350 -0.001 0.000 0.281 378 T C 1.325 176.116 174.700 0.153 0.000 0.995 378 T CA -0.207 61.974 62.100 0.134 0.000 0.985 378 T CB 1.747 70.692 68.868 0.127 0.000 1.114 378 T HN 0.108 nan 8.240 nan 0.000 0.548 379 A N -0.082 122.810 122.820 0.121 0.000 2.178 379 A HA 0.001 4.320 4.320 -0.001 0.000 0.218 379 A C 1.828 179.406 177.584 -0.010 0.000 1.157 379 A CA 0.888 52.928 52.037 0.004 0.000 0.689 379 A CB -1.272 17.735 19.000 0.011 0.000 0.787 379 A HN 0.898 nan 8.150 nan 0.000 0.465 380 W N 0.823 122.057 121.300 -0.111 0.000 2.355 380 W HA -0.187 4.473 4.660 -0.001 0.000 0.309 380 W C 1.588 177.979 176.519 -0.214 0.000 1.206 380 W CA 2.086 59.312 57.345 -0.198 0.000 1.284 380 W CB -0.716 28.705 29.460 -0.066 0.000 1.145 380 W HN 0.190 nan 8.180 nan 0.000 0.502 381 V N 2.519 122.621 119.914 0.313 0.000 2.252 381 V HA -0.293 3.827 4.120 -0.001 0.000 0.249 381 V C -0.418 175.582 176.094 -0.158 0.000 1.056 381 V CA 2.917 65.415 62.300 0.329 0.000 1.022 381 V CB -2.342 29.783 31.823 0.502 0.000 0.641 381 V HN 0.016 nan 8.190 nan 0.000 0.445 382 P HA -0.102 nan 4.420 nan 0.000 0.216 382 P C 1.690 178.525 177.300 -0.776 0.000 1.150 382 P CA 1.793 64.147 63.100 -1.243 0.000 0.837 382 P CB -0.323 31.050 31.700 -0.545 0.000 0.786 383 G N -0.606 107.843 108.800 -0.585 0.000 2.418 383 G HA2 -0.304 3.656 3.960 -0.001 0.000 0.217 383 G HA3 -0.304 3.656 3.960 -0.001 0.000 0.217 383 G C 1.545 176.227 174.900 -0.364 0.000 1.158 383 G CA 1.277 46.074 45.100 -0.505 0.000 0.771 383 G HN 0.347 nan 8.290 nan 0.000 0.545 384 H N 1.196 119.864 119.070 -0.670 0.000 2.299 384 H HA -0.087 4.469 4.556 -0.001 0.000 0.302 384 H C 2.095 177.420 175.328 -0.006 0.000 1.078 384 H CA 1.766 57.639 56.048 -0.292 0.000 1.323 384 H CB -0.778 28.770 29.762 -0.357 0.000 1.381 384 H HN 0.424 nan 8.280 nan 0.000 0.498 385 F N -0.882 118.798 119.950 -0.450 0.000 2.604 385 F HA 0.127 4.654 4.527 -0.001 0.000 0.298 385 F C 1.414 177.113 175.800 -0.168 0.000 1.131 385 F CA 0.637 58.398 58.000 -0.399 0.000 1.457 385 F CB -1.046 37.833 39.000 -0.202 0.000 1.095 385 F HN 0.180 nan 8.300 nan 0.000 0.574 386 H N 0.278 119.325 119.070 -0.038 0.000 2.529 386 H HA 0.179 4.734 4.556 -0.000 0.000 0.277 386 H C 1.883 177.277 175.328 0.112 0.000 0.999 386 H CA 1.245 57.342 56.048 0.080 0.000 1.256 386 H CB -0.088 29.642 29.762 -0.052 0.000 1.402 386 H HN 0.340 nan 8.280 nan 0.000 0.566 387 L N -0.088 121.237 121.223 0.170 0.000 2.313 387 L HA -0.106 4.233 4.340 -0.001 0.000 0.214 387 L C 1.859 178.898 176.870 0.281 0.000 1.119 387 L CA 0.514 55.472 54.840 0.198 0.000 0.809 387 L CB 0.007 42.154 42.059 0.146 0.000 0.933 387 L HN 0.305 nan 8.230 nan 0.000 0.449 388 Q N -0.749 119.187 119.800 0.227 0.000 2.042 388 Q HA -0.059 4.281 4.340 -0.001 0.000 0.194 388 Q C 2.241 178.409 176.000 0.281 0.000 0.978 388 Q CA 1.320 57.326 55.803 0.339 0.000 0.828 388 Q CB -0.692 28.167 28.738 0.202 0.000 0.901 388 Q HN 0.308 nan 8.270 nan 0.000 0.461 389 V N 0.736 120.763 119.914 0.189 0.000 2.500 389 V HA 0.091 4.211 4.120 -0.001 0.000 0.243 389 V C 1.908 178.039 176.094 0.062 0.000 1.039 389 V CA 1.537 63.884 62.300 0.079 0.000 1.053 389 V CB -0.310 31.475 31.823 -0.064 0.000 0.695 389 V HN 0.345 nan 8.190 nan 0.000 0.463 390 A N -1.392 121.487 122.820 0.099 0.000 2.167 390 A HA 0.000 4.320 4.320 -0.001 0.000 0.214 390 A C 2.277 180.090 177.584 0.382 0.000 1.151 390 A CA 1.765 53.933 52.037 0.219 0.000 0.735 390 A CB -0.260 18.884 19.000 0.242 0.000 0.802 390 A HN 0.552 nan 8.150 nan 0.000 0.467 391 S N -1.462 114.420 115.700 0.303 0.000 3.036 391 S HA 0.130 4.600 4.470 -0.001 0.000 0.194 391 S C 1.686 176.422 174.600 0.226 0.000 0.797 391 S CA 0.475 58.883 58.200 0.346 0.000 0.822 391 S CB -0.670 62.731 63.200 0.335 0.000 0.810 391 S HN 0.388 nan 8.310 nan 0.000 0.629 392 L N 2.877 124.231 121.223 0.218 0.000 1.956 392 L HA -0.039 4.300 4.340 -0.001 0.000 0.216 392 L C 2.271 179.143 176.870 0.003 0.000 1.073 392 L CA 2.229 57.123 54.840 0.090 0.000 0.762 392 L CB -1.104 40.958 42.059 0.006 0.000 0.889 392 L HN 0.305 nan 8.230 nan 0.000 0.433 393 V N -0.519 119.395 119.914 0.001 0.000 2.233 393 V HA -0.337 3.783 4.120 -0.001 0.000 0.247 393 V C 2.488 178.522 176.094 -0.100 0.000 1.050 393 V CA 2.430 64.693 62.300 -0.061 0.000 1.010 393 V CB -1.215 30.567 31.823 -0.067 0.000 0.637 393 V HN 0.614 nan 8.190 nan 0.000 0.444 394 T N 0.243 114.780 114.554 -0.028 0.000 2.788 394 T HA -0.126 4.223 4.350 -0.001 0.000 0.268 394 T C 1.867 176.411 174.700 -0.260 0.000 1.044 394 T CA 1.413 63.458 62.100 -0.092 0.000 1.139 394 T CB -0.283 68.517 68.868 -0.113 0.000 0.867 394 T HN 0.275 nan 8.240 nan 0.000 0.454 395 L N 0.603 121.718 121.223 -0.179 0.000 2.156 395 L HA -0.076 4.264 4.340 -0.001 0.000 0.208 395 L C 2.837 179.638 176.870 -0.115 0.000 1.095 395 L CA 1.058 55.784 54.840 -0.189 0.000 0.770 395 L CB -0.795 41.224 42.059 -0.066 0.000 0.914 395 L HN 0.284 nan 8.230 nan 0.000 0.439 396 T N -0.225 114.281 114.554 -0.079 0.000 2.821 396 T HA -0.109 4.241 4.350 -0.001 0.000 0.267 396 T C 1.969 176.681 174.700 0.020 0.000 1.046 396 T CA 1.186 63.291 62.100 0.008 0.000 1.139 396 T CB -0.087 68.812 68.868 0.052 0.000 0.871 396 T HN 0.430 nan 8.240 nan 0.000 0.454 397 A N 1.261 123.933 122.820 -0.247 0.000 1.898 397 A HA 0.043 4.363 4.320 -0.001 0.000 0.216 397 A C 2.311 179.926 177.584 0.052 0.000 1.181 397 A CA 1.201 52.961 52.037 -0.462 0.000 0.620 397 A CB -0.603 17.815 19.000 -0.969 0.000 0.819 397 A HN 0.424 nan 8.150 nan 0.000 0.442 398 M N -0.532 119.035 119.600 -0.054 0.000 2.117 398 M HA -0.102 4.378 4.480 -0.001 0.000 0.262 398 M C 2.266 178.608 176.300 0.070 0.000 1.065 398 M CA 1.407 56.662 55.300 -0.076 0.000 1.114 398 M CB -0.525 31.910 32.600 -0.276 0.000 1.361 398 M HN 0.514 nan 8.290 nan 0.000 0.408 399 G N -0.117 108.760 108.800 0.130 0.000 2.432 399 G HA2 -0.220 3.740 3.960 -0.001 0.000 0.219 399 G HA3 -0.220 3.740 3.960 -0.001 0.000 0.219 399 G C 1.557 176.651 174.900 0.323 0.000 1.135 399 G CA 1.178 46.454 45.100 0.293 0.000 0.767 399 G HN 0.578 nan 8.290 nan 0.000 0.550 400 S N -0.017 115.780 115.700 0.162 0.000 2.507 400 S HA 0.055 4.524 4.470 -0.001 0.000 0.235 400 S C 2.140 176.441 174.600 -0.498 0.000 0.988 400 S CA 0.699 58.682 58.200 -0.363 0.000 0.944 400 S CB -0.143 62.947 63.200 -0.182 0.000 0.762 400 S HN 0.113 nan 8.310 nan 0.000 0.526 401 L N 0.311 121.350 121.223 -0.307 0.000 2.141 401 L HA 0.137 4.477 4.340 -0.001 0.000 0.209 401 L C 1.273 177.741 176.870 -0.670 0.000 1.094 401 L CA 1.376 55.887 54.840 -0.549 0.000 0.763 401 L CB -0.635 40.929 42.059 -0.825 0.000 0.908 401 L HN 0.411 nan 8.230 nan 0.000 0.437 402 Y N -1.517 118.772 120.300 -0.018 0.000 2.537 402 Y HA -0.030 4.520 4.550 -0.001 0.000 0.303 402 Y C 1.117 177.150 175.900 0.222 0.000 1.176 402 Y CA -0.017 58.134 58.100 0.085 0.000 1.273 402 Y CB -0.340 38.194 38.460 0.124 0.000 1.110 402 Y HN 0.384 nan 8.280 nan 0.000 0.518 403 W N -4.121 117.210 121.300 0.052 0.000 4.213 403 W HA 0.023 4.683 4.660 -0.001 0.000 0.153 403 W C 0.381 176.910 176.519 0.017 0.000 0.850 403 W CA -0.128 57.244 57.345 0.044 0.000 1.550 403 W CB -0.940 28.553 29.460 0.055 0.000 0.517 403 W HN -0.001 nan 8.180 nan 0.000 0.995 404 L N 2.411 123.110 121.223 -0.873 0.000 2.109 404 L HA 0.194 4.534 4.340 -0.001 0.000 0.207 404 L C 2.380 179.046 176.870 -0.339 0.000 1.086 404 L CA 1.833 56.204 54.840 -0.782 0.000 0.760 404 L CB -1.021 40.297 42.059 -1.235 0.000 0.910 404 L HN 0.063 nan 8.230 nan 0.000 0.437 405 L N -0.398 120.642 121.223 -0.307 0.000 2.027 405 L HA -0.122 4.217 4.340 -0.001 0.000 0.206 405 L C -0.237 176.561 176.870 -0.121 0.000 1.074 405 L CA 1.300 56.025 54.840 -0.192 0.000 0.745 405 L CB -1.407 40.529 42.059 -0.206 0.000 0.898 405 L HN 0.227 nan 8.230 nan 0.000 0.433 406 P HA -0.173 nan 4.420 nan 0.000 0.215 406 P C 0.966 178.261 177.300 -0.009 0.000 1.153 406 P CA 1.466 64.552 63.100 -0.023 0.000 0.853 406 P CB -0.038 31.680 31.700 0.031 0.000 0.788 407 N N -0.682 118.023 118.700 0.008 0.000 2.120 407 N HA -0.119 4.621 4.740 -0.001 0.000 0.188 407 N C 1.482 176.988 175.510 -0.007 0.000 1.024 407 N CA 1.151 54.221 53.050 0.034 0.000 0.852 407 N CB -0.708 37.845 38.487 0.110 0.000 1.003 407 N HN 0.031 nan 8.380 nan 0.000 0.424 408 L N -0.983 120.201 121.223 -0.066 0.000 2.341 408 L HA 0.083 4.422 4.340 -0.001 0.000 0.214 408 L C 1.920 178.745 176.870 -0.074 0.000 1.115 408 L CA 1.256 56.032 54.840 -0.105 0.000 0.820 408 L CB -0.319 41.624 42.059 -0.195 0.000 0.944 408 L HN 0.415 nan 8.230 nan 0.000 0.452 409 T N -5.385 109.133 114.554 -0.060 0.000 3.018 409 T HA 0.314 4.664 4.350 -0.001 0.000 0.246 409 T C 1.514 176.197 174.700 -0.030 0.000 1.026 409 T CA 0.656 62.730 62.100 -0.043 0.000 1.081 409 T CB 0.975 69.814 68.868 -0.047 0.000 0.970 409 T HN 0.306 nan 8.240 nan 0.000 0.475 410 G N 1.767 110.551 108.800 -0.026 0.000 2.232 410 G HA2 -0.187 3.773 3.960 -0.001 0.000 0.226 410 G HA3 -0.187 3.773 3.960 -0.001 0.000 0.226 410 G C -0.047 174.847 174.900 -0.010 0.000 0.996 410 G CA -0.196 44.894 45.100 -0.016 0.000 0.626 410 G HN 0.658 nan 8.290 nan 0.000 0.509 411 K N 1.960 122.350 120.400 -0.016 0.000 2.312 411 K HA 0.449 4.769 4.320 -0.001 0.000 0.287 411 K C -2.373 174.223 176.600 -0.006 0.000 1.062 411 K CA -1.497 54.783 56.287 -0.012 0.000 0.934 411 K CB 1.271 33.758 32.500 -0.021 0.000 1.027 411 K HN 0.157 nan 8.250 nan 0.000 0.478 412 P HA 0.127 nan 4.420 nan 0.000 0.275 412 P C -0.641 176.679 177.300 0.034 0.000 1.266 412 P CA -0.508 62.608 63.100 0.027 0.000 0.793 412 P CB 0.482 32.198 31.700 0.028 0.000 1.074 413 I N 0.216 120.825 120.570 0.064 0.000 2.330 413 I HA 0.173 4.343 4.170 -0.001 0.000 0.289 413 I C 0.295 176.455 176.117 0.071 0.000 1.001 413 I CA 0.251 61.607 61.300 0.094 0.000 1.193 413 I CB 0.385 38.503 38.000 0.197 0.000 1.345 413 I HN 0.183 nan 8.210 nan 0.000 0.461 414 S N 4.170 119.899 115.700 0.049 0.000 2.580 414 S HA -0.038 4.432 4.470 -0.001 0.000 0.266 414 S C 1.267 175.886 174.600 0.031 0.000 1.354 414 S CA -0.385 57.834 58.200 0.032 0.000 1.008 414 S CB 0.455 63.665 63.200 0.018 0.000 0.898 414 S HN 0.721 nan 8.310 nan 0.000 0.555 415 D N 0.842 121.255 120.400 0.022 0.000 2.264 415 D HA -0.098 4.542 4.640 -0.001 0.000 0.208 415 D C 1.723 178.028 176.300 0.008 0.000 0.966 415 D CA 1.099 55.109 54.000 0.017 0.000 0.864 415 D CB -0.031 40.778 40.800 0.015 0.000 0.933 415 D HN 0.528 nan 8.370 nan 0.000 0.499 416 A N 0.752 123.575 122.820 0.006 0.000 1.840 416 A HA -0.155 4.164 4.320 -0.001 0.000 0.214 416 A C 2.223 179.796 177.584 -0.019 0.000 1.198 416 A CA 1.194 53.227 52.037 -0.006 0.000 0.608 416 A CB -0.670 18.325 19.000 -0.009 0.000 0.839 416 A HN 0.242 nan 8.150 nan 0.000 0.443 417 Q N -0.780 119.015 119.800 -0.008 0.000 2.152 417 Q HA -0.240 4.100 4.340 -0.001 0.000 0.206 417 Q C 2.314 178.339 176.000 0.041 0.000 0.985 417 Q CA 1.744 57.557 55.803 0.018 0.000 0.863 417 Q CB -0.264 28.511 28.738 0.062 0.000 0.904 417 Q HN 0.661 nan 8.270 nan 0.000 0.422 418 R N 0.996 121.501 120.500 0.008 0.000 2.073 418 R HA -0.149 4.190 4.340 -0.001 0.000 0.234 418 R C 2.317 178.551 176.300 -0.111 0.000 1.134 418 R CA 1.483 57.534 56.100 -0.082 0.000 0.952 418 R CB -0.084 30.203 30.300 -0.021 0.000 0.850 418 R HN 0.103 nan 8.270 nan 0.000 0.433 419 R N 0.285 120.761 120.500 -0.041 0.000 2.092 419 R HA -0.130 4.210 4.340 -0.001 0.000 0.231 419 R C 2.286 178.581 176.300 -0.009 0.000 1.119 419 R CA 1.203 57.294 56.100 -0.014 0.000 0.970 419 R CB -0.270 30.031 30.300 0.001 0.000 0.864 419 R HN 0.238 nan 8.270 nan 0.000 0.440 420 L N 0.355 121.564 121.223 -0.023 0.000 1.961 420 L HA 0.008 4.347 4.340 -0.001 0.000 0.210 420 L C 2.264 179.149 176.870 0.025 0.000 1.072 420 L CA 2.501 57.338 54.840 -0.005 0.000 0.749 420 L CB -1.266 40.751 42.059 -0.070 0.000 0.889 420 L HN 0.258 nan 8.230 nan 0.000 0.432 421 G N -0.427 108.369 108.800 -0.006 0.000 2.507 421 G HA2 -0.323 3.637 3.960 -0.001 0.000 0.221 421 G HA3 -0.323 3.637 3.960 -0.001 0.000 0.221 421 G C 1.598 176.461 174.900 -0.061 0.000 1.119 421 G CA 1.168 46.266 45.100 -0.003 0.000 0.751 421 G HN 0.416 nan 8.290 nan 0.000 0.574 422 L N 0.976 122.146 121.223 -0.089 0.000 2.141 422 L HA 0.237 4.576 4.340 -0.001 0.000 0.209 422 L C 2.974 179.988 176.870 0.240 0.000 1.094 422 L CA 1.855 56.738 54.840 0.071 0.000 0.763 422 L CB -0.506 41.599 42.059 0.076 0.000 0.908 422 L HN 0.232 nan 8.230 nan 0.000 0.437 423 A N -1.600 121.323 122.820 0.171 0.000 1.898 423 A HA -0.052 4.268 4.320 -0.001 0.000 0.214 423 A C 2.209 179.944 177.584 0.251 0.000 1.183 423 A CA 1.410 53.571 52.037 0.207 0.000 0.622 423 A CB -0.839 18.241 19.000 0.133 0.000 0.824 423 A HN 0.220 nan 8.150 nan 0.000 0.444 424 V N -0.091 119.955 119.914 0.219 0.000 2.287 424 V HA -0.258 3.862 4.120 -0.001 0.000 0.248 424 V C 2.577 178.844 176.094 0.289 0.000 1.053 424 V CA 2.157 64.616 62.300 0.264 0.000 1.027 424 V CB -0.915 31.072 31.823 0.272 0.000 0.646 424 V HN 0.362 nan 8.190 nan 0.000 0.447 425 V N -1.565 118.478 119.914 0.214 0.000 2.295 425 V HA -0.273 3.847 4.120 -0.001 0.000 0.246 425 V C 2.103 178.317 176.094 0.201 0.000 1.049 425 V CA 2.204 64.593 62.300 0.148 0.000 1.024 425 V CB -0.769 31.055 31.823 0.002 0.000 0.648 425 V HN 0.624 nan 8.190 nan 0.000 0.447 426 W N -0.265 121.162 121.300 0.213 0.000 2.381 426 W HA -0.043 4.617 4.660 -0.001 0.000 0.301 426 W C 2.338 179.020 176.519 0.272 0.000 1.205 426 W CA 0.967 58.461 57.345 0.248 0.000 1.285 426 W CB -0.398 29.164 29.460 0.171 0.000 1.133 426 W HN 0.128 nan 8.180 nan 0.000 0.521 427 L N -1.007 120.481 121.223 0.442 0.000 2.131 427 L HA -0.225 4.115 4.340 -0.001 0.000 0.210 427 L C 2.350 179.375 176.870 0.260 0.000 1.092 427 L CA 1.022 56.041 54.840 0.298 0.000 0.759 427 L CB -0.860 41.339 42.059 0.233 0.000 0.903 427 L HN 0.271 nan 8.230 nan 0.000 0.435 428 W N 0.594 121.981 121.300 0.144 0.000 2.407 428 W HA -0.263 4.396 4.660 -0.000 0.000 0.305 428 W C 2.468 179.051 176.519 0.107 0.000 1.196 428 W CA 1.415 58.813 57.345 0.088 0.000 1.311 428 W CB -0.475 29.013 29.460 0.047 0.000 1.135 428 W HN 0.154 nan 8.180 nan 0.000 0.514 429 F N 1.336 121.448 119.950 0.270 0.000 2.134 429 F HA -0.214 4.312 4.527 -0.000 0.000 0.299 429 F C 2.251 178.107 175.800 0.093 0.000 1.097 429 F CA 2.095 60.184 58.000 0.149 0.000 1.264 429 F CB -0.676 38.335 39.000 0.018 0.000 1.001 429 F HN -0.270 nan 8.300 nan 0.000 0.479 430 L N 0.102 121.346 121.223 0.035 0.000 2.056 430 L HA -0.111 4.229 4.340 -0.001 0.000 0.207 430 L C 2.867 179.646 176.870 -0.153 0.000 1.078 430 L CA 1.248 56.038 54.840 -0.083 0.000 0.749 430 L CB -1.614 40.530 42.059 0.141 0.000 0.901 430 L HN 0.348 nan 8.230 nan 0.000 0.433 431 G N -0.157 108.564 108.800 -0.131 0.000 2.446 431 G HA2 -0.268 3.692 3.960 -0.001 0.000 0.217 431 G HA3 -0.268 3.692 3.960 -0.001 0.000 0.217 431 G C 1.589 176.345 174.900 -0.240 0.000 1.168 431 G CA 0.641 45.623 45.100 -0.197 0.000 0.771 431 G HN 0.105 nan 8.290 nan 0.000 0.551 432 M N 0.055 119.483 119.600 -0.286 0.000 2.175 432 M HA 0.080 4.560 4.480 -0.001 0.000 0.264 432 M C 2.578 178.759 176.300 -0.198 0.000 1.063 432 M CA 0.903 56.069 55.300 -0.224 0.000 1.119 432 M CB -0.793 31.730 32.600 -0.127 0.000 1.377 432 M HN 0.177 nan 8.290 nan 0.000 0.415 433 M N -0.316 119.098 119.600 -0.310 0.000 2.156 433 M HA -0.062 4.418 4.480 -0.001 0.000 0.264 433 M C 2.282 178.519 176.300 -0.104 0.000 1.067 433 M CA 1.389 56.530 55.300 -0.265 0.000 1.131 433 M CB -1.117 31.218 32.600 -0.441 0.000 1.368 433 M HN 0.213 nan 8.290 nan 0.000 0.416 434 I N -0.219 120.305 120.570 -0.076 0.000 2.179 434 I HA -0.330 3.840 4.170 -0.001 0.000 0.242 434 I C 2.683 178.860 176.117 0.100 0.000 1.088 434 I CA 1.318 62.654 61.300 0.061 0.000 1.357 434 I CB -0.380 37.622 38.000 0.004 0.000 1.051 434 I HN 0.273 nan 8.210 nan 0.000 0.409 435 M N 0.536 120.124 119.600 -0.020 0.000 2.159 435 M HA -0.187 4.293 4.480 -0.001 0.000 0.263 435 M C 2.370 178.652 176.300 -0.030 0.000 1.063 435 M CA 1.966 57.238 55.300 -0.047 0.000 1.110 435 M CB -0.112 32.384 32.600 -0.172 0.000 1.374 435 M HN 0.279 nan 8.290 nan 0.000 0.411 436 A N -0.580 122.225 122.820 -0.025 0.000 1.978 436 A HA -0.113 4.207 4.320 -0.001 0.000 0.220 436 A C 1.991 179.645 177.584 0.118 0.000 1.170 436 A CA 1.767 53.841 52.037 0.062 0.000 0.636 436 A CB -0.955 18.055 19.000 0.017 0.000 0.810 436 A HN 0.421 nan 8.150 nan 0.000 0.448 437 V N -0.349 119.587 119.914 0.037 0.000 2.323 437 V HA -0.125 3.995 4.120 -0.001 0.000 0.244 437 V C 2.835 178.946 176.094 0.028 0.000 1.041 437 V CA 1.870 64.155 62.300 -0.026 0.000 1.025 437 V CB -1.437 30.354 31.823 -0.053 0.000 0.656 437 V HN 0.579 nan 8.190 nan 0.000 0.451 438 G N -0.040 108.803 108.800 0.072 0.000 2.422 438 G HA2 -0.168 3.792 3.960 -0.001 0.000 0.218 438 G HA3 -0.168 3.792 3.960 -0.001 0.000 0.218 438 G C 1.455 176.406 174.900 0.086 0.000 1.146 438 G CA 0.715 45.869 45.100 0.091 0.000 0.769 438 G HN 0.333 nan 8.290 nan 0.000 0.547 439 L N -0.048 121.201 121.223 0.044 0.000 2.102 439 L HA 0.113 4.453 4.340 -0.001 0.000 0.202 439 L C 2.504 179.410 176.870 0.058 0.000 1.076 439 L CA 1.453 56.278 54.840 -0.026 0.000 0.761 439 L CB -1.608 40.324 42.059 -0.211 0.000 0.921 439 L HN 0.241 nan 8.230 nan 0.000 0.444 440 H N -1.959 117.119 119.070 0.015 0.000 2.352 440 H HA -0.234 4.322 4.556 -0.001 0.000 0.299 440 H C 1.870 177.401 175.328 0.338 0.000 1.097 440 H CA 2.128 58.253 56.048 0.129 0.000 1.311 440 H CB -0.183 29.516 29.762 -0.105 0.000 1.377 440 H HN 0.265 nan 8.280 nan 0.000 0.504 441 W N 1.526 122.910 121.300 0.140 0.000 2.353 441 W HA -0.136 4.524 4.660 -0.000 0.000 0.319 441 W C 2.691 179.224 176.519 0.023 0.000 1.207 441 W CA 1.821 59.189 57.345 0.040 0.000 1.291 441 W CB -1.048 28.350 29.460 -0.103 0.000 1.159 441 W HN 0.198 nan 8.180 nan 0.000 0.478 442 A N 0.440 123.376 122.820 0.194 0.000 1.986 442 A HA -0.136 4.184 4.320 -0.001 0.000 0.220 442 A C 2.290 179.930 177.584 0.094 0.000 1.171 442 A CA 2.406 54.466 52.037 0.038 0.000 0.640 442 A CB -1.464 17.559 19.000 0.037 0.000 0.811 442 A HN 0.383 nan 8.150 nan 0.000 0.451 443 G N -0.598 108.313 108.800 0.185 0.000 2.403 443 G HA2 -0.063 3.897 3.960 -0.001 0.000 0.216 443 G HA3 -0.063 3.897 3.960 -0.001 0.000 0.216 443 G C 1.470 176.473 174.900 0.171 0.000 1.154 443 G CA 0.829 46.051 45.100 0.202 0.000 0.784 443 G HN 0.446 nan 8.290 nan 0.000 0.538 444 L N 0.013 121.372 121.223 0.227 0.000 2.291 444 L HA 0.163 4.503 4.340 -0.001 0.000 0.214 444 L C 2.151 179.085 176.870 0.105 0.000 1.120 444 L CA 0.270 55.196 54.840 0.144 0.000 0.799 444 L CB -0.095 42.085 42.059 0.201 0.000 0.925 444 L HN 0.174 nan 8.230 nan 0.000 0.446 445 L N -0.511 120.765 121.223 0.088 0.000 2.627 445 L HA 0.086 4.426 4.340 -0.001 0.000 0.232 445 L C 0.341 177.243 176.870 0.053 0.000 1.150 445 L CA 0.174 55.002 54.840 -0.021 0.000 0.917 445 L CB -0.582 41.357 42.059 -0.199 0.000 1.104 445 L HN 0.409 nan 8.230 nan 0.000 0.445 446 N N -1.815 116.932 118.700 0.078 0.000 2.800 446 N HA -0.158 4.582 4.740 -0.001 0.000 0.250 446 N C -0.001 175.561 175.510 0.087 0.000 1.078 446 N CA -0.150 52.961 53.050 0.101 0.000 0.804 446 N CB -1.141 37.425 38.487 0.132 0.000 1.135 446 N HN 0.045 nan 8.380 nan 0.000 0.565 447 V N 1.475 121.379 119.914 -0.016 0.000 2.529 447 V HA 0.157 4.276 4.120 -0.001 0.000 0.292 447 V C -1.689 174.379 176.094 -0.045 0.000 1.028 447 V CA -0.542 61.602 62.300 -0.261 0.000 1.074 447 V CB 0.701 32.329 31.823 -0.325 0.000 0.958 447 V HN -0.029 nan 8.190 nan 0.000 0.481 448 P HA 0.282 nan 4.420 nan 0.000 0.275 448 P C -0.485 176.947 177.300 0.221 0.000 1.228 448 P CA -0.557 62.613 63.100 0.116 0.000 0.786 448 P CB 0.620 32.407 31.700 0.144 0.000 0.927 449 R N 1.985 122.618 120.500 0.222 0.000 2.531 449 R HA 0.482 4.822 4.340 -0.001 0.000 0.260 449 R C 0.022 176.533 176.300 0.352 0.000 1.144 449 R CA -0.643 55.615 56.100 0.263 0.000 1.171 449 R CB 0.113 30.526 30.300 0.188 0.000 1.199 449 R HN 0.258 nan 8.270 nan 0.000 0.594 450 R N -1.682 119.053 120.500 0.392 0.000 3.627 450 R HA -0.227 4.113 4.340 -0.001 0.000 0.281 450 R C -1.081 175.561 176.300 0.570 0.000 1.140 450 R CA 0.889 57.263 56.100 0.455 0.000 0.761 450 R CB -2.084 28.443 30.300 0.378 0.000 1.181 450 R HN 0.698 nan 8.270 nan 0.000 0.472 451 A N 0.196 123.321 122.820 0.507 0.000 2.393 451 A HA 0.426 4.745 4.320 -0.001 0.000 0.306 451 A C -0.921 176.594 177.584 -0.114 0.000 1.050 451 A CA -0.574 51.655 52.037 0.321 0.000 0.724 451 A CB 1.046 20.172 19.000 0.210 0.000 1.248 451 A HN 0.366 nan 8.150 nan 0.000 0.424 452 Y N 4.839 124.854 120.300 -0.474 0.000 2.667 452 Y HA 0.208 4.758 4.550 -0.000 0.000 0.340 452 Y C 1.217 176.830 175.900 -0.478 0.000 1.303 452 Y CA -0.418 57.085 58.100 -0.994 0.000 1.769 452 Y CB -0.074 37.900 38.460 -0.810 0.000 1.804 452 Y HN 0.736 nan 8.280 nan 0.000 0.451 453 I N -0.063 120.299 120.570 -0.347 0.000 2.614 453 I HA -0.107 4.063 4.170 -0.001 0.000 0.258 453 I C 1.959 177.942 176.117 -0.224 0.000 1.189 453 I CA 1.363 62.529 61.300 -0.222 0.000 1.462 453 I CB -0.297 37.539 38.000 -0.273 0.000 1.092 453 I HN 0.436 nan 8.210 nan 0.000 0.442 454 A N 0.887 123.548 122.820 -0.265 0.000 2.125 454 A HA -0.211 4.109 4.320 -0.001 0.000 0.219 454 A C 2.387 179.777 177.584 -0.323 0.000 1.156 454 A CA 1.550 53.469 52.037 -0.196 0.000 0.671 454 A CB -0.677 18.292 19.000 -0.052 0.000 0.794 454 A HN 0.707 nan 8.150 nan 0.000 0.459 455 Q N -0.010 119.414 119.800 -0.626 0.000 2.389 455 Q HA 0.032 4.371 4.340 -0.001 0.000 0.204 455 Q C 0.063 175.870 176.000 -0.321 0.000 0.944 455 Q CA 1.153 56.561 55.803 -0.657 0.000 0.908 455 Q CB 0.127 28.200 28.738 -1.107 0.000 1.002 455 Q HN 0.567 nan 8.270 nan 0.000 0.493 456 V N -2.306 117.470 119.914 -0.230 0.000 2.361 456 V HA 0.363 4.482 4.120 -0.001 0.000 0.252 456 V C -2.420 173.618 176.094 -0.093 0.000 0.986 456 V CA -1.611 60.610 62.300 -0.131 0.000 1.033 456 V CB 0.792 32.560 31.823 -0.091 0.000 1.282 456 V HN -0.052 nan 8.190 nan 0.000 0.514 457 P HA -0.152 nan 4.420 nan 0.000 0.217 457 P C 0.791 178.065 177.300 -0.044 0.000 1.151 457 P CA 1.707 64.770 63.100 -0.062 0.000 0.849 457 P CB 0.173 31.836 31.700 -0.062 0.000 0.787 458 D N -1.938 118.424 120.400 -0.063 0.000 2.342 458 D HA 0.173 4.813 4.640 -0.001 0.000 0.221 458 D C 1.561 177.790 176.300 -0.119 0.000 1.101 458 D CA 0.169 54.128 54.000 -0.068 0.000 0.837 458 D CB 0.106 40.868 40.800 -0.064 0.000 0.938 458 D HN 0.105 nan 8.370 nan 0.000 0.508 459 A N 0.149 122.871 122.820 -0.164 0.000 1.930 459 A HA -0.124 4.196 4.320 -0.001 0.000 0.217 459 A C 0.407 177.577 177.584 -0.690 0.000 1.175 459 A CA 0.926 52.709 52.037 -0.422 0.000 0.627 459 A CB -0.221 18.513 19.000 -0.443 0.000 0.815 459 A HN 0.204 nan 8.150 nan 0.000 0.443 460 Y N -1.413 118.866 120.300 -0.036 0.000 2.584 460 Y HA 0.351 4.901 4.550 -0.001 0.000 0.358 460 Y C -2.088 173.807 175.900 -0.009 0.000 1.028 460 Y CA -2.127 55.964 58.100 -0.015 0.000 1.148 460 Y CB 0.573 39.014 38.460 -0.032 0.000 1.126 460 Y HN 0.162 nan 8.280 nan 0.000 0.658 461 P HA -0.212 nan 4.420 nan 0.000 0.216 461 P C 1.557 178.922 177.300 0.108 0.000 1.153 461 P CA 1.666 64.801 63.100 0.059 0.000 0.848 461 P CB 0.151 31.862 31.700 0.019 0.000 0.787 462 H N -0.306 118.772 119.070 0.013 0.000 2.460 462 H HA -0.090 4.466 4.556 -0.001 0.000 0.297 462 H C 0.955 176.252 175.328 -0.052 0.000 1.103 462 H CA 0.783 56.831 56.048 0.001 0.000 1.292 462 H CB 0.028 29.809 29.762 0.033 0.000 1.376 462 H HN 0.048 nan 8.280 nan 0.000 0.531 463 A N -0.099 122.719 122.820 -0.003 0.000 2.577 463 A HA 0.459 4.779 4.320 -0.001 0.000 0.280 463 A C 2.023 179.502 177.584 -0.174 0.000 1.331 463 A CA 0.483 52.403 52.037 -0.196 0.000 0.935 463 A CB -0.389 18.515 19.000 -0.161 0.000 1.082 463 A HN 0.534 nan 8.150 nan 0.000 0.525 464 A N -0.529 122.234 122.820 -0.095 0.000 1.940 464 A HA -0.090 4.230 4.320 -0.001 0.000 0.219 464 A C 2.167 179.687 177.584 -0.107 0.000 1.176 464 A CA 1.966 53.961 52.037 -0.070 0.000 0.631 464 A CB -0.653 18.331 19.000 -0.027 0.000 0.814 464 A HN 0.931 nan 8.150 nan 0.000 0.446 465 V N 0.179 119.970 119.914 -0.206 0.000 2.346 465 V HA -0.054 4.065 4.120 -0.001 0.000 0.244 465 V C -0.619 175.340 176.094 -0.225 0.000 1.037 465 V CA 2.096 64.278 62.300 -0.197 0.000 1.029 465 V CB -0.785 30.891 31.823 -0.245 0.000 0.663 465 V HN 0.414 nan 8.190 nan 0.000 0.454 466 P HA -0.103 nan 4.420 nan 0.000 0.218 466 P C 1.937 179.223 177.300 -0.023 0.000 1.149 466 P CA 1.636 64.473 63.100 -0.438 0.000 0.817 466 P CB -0.124 31.194 31.700 -0.636 0.000 0.785 467 M N -1.348 118.216 119.600 -0.060 0.000 2.279 467 M HA -0.124 4.355 4.480 -0.001 0.000 0.264 467 M C 1.721 178.062 176.300 0.068 0.000 1.062 467 M CA 1.393 56.702 55.300 0.014 0.000 1.099 467 M CB -0.728 31.858 32.600 -0.022 0.000 1.394 467 M HN -0.167 nan 8.290 nan 0.000 0.426 468 V N -0.313 119.661 119.914 0.099 0.000 2.427 468 V HA -0.234 3.886 4.120 -0.001 0.000 0.248 468 V C 2.017 178.152 176.094 0.070 0.000 1.051 468 V CA 1.723 64.061 62.300 0.064 0.000 1.048 468 V CB -0.819 31.028 31.823 0.040 0.000 0.666 468 V HN 0.262 nan 8.190 nan 0.000 0.456 469 F N 1.294 121.236 119.950 -0.013 0.000 2.102 469 F HA -0.143 4.384 4.527 -0.001 0.000 0.298 469 F C 2.239 178.028 175.800 -0.018 0.000 1.105 469 F CA 1.854 59.858 58.000 0.006 0.000 1.239 469 F CB -1.159 37.876 39.000 0.057 0.000 0.991 469 F HN 0.224 nan 8.300 nan 0.000 0.474 470 N N -0.049 118.764 118.700 0.187 0.000 2.104 470 N HA -0.166 4.574 4.740 -0.001 0.000 0.190 470 N C 1.809 177.336 175.510 0.029 0.000 1.024 470 N CA 1.334 54.436 53.050 0.087 0.000 0.853 470 N CB -0.279 38.274 38.487 0.109 0.000 1.008 470 N HN 0.042 nan 8.380 nan 0.000 0.424 471 V N 1.581 121.507 119.914 0.020 0.000 2.358 471 V HA -0.167 3.953 4.120 -0.001 0.000 0.246 471 V C 2.204 178.266 176.094 -0.053 0.000 1.047 471 V CA 1.166 63.453 62.300 -0.021 0.000 1.035 471 V CB -0.556 31.253 31.823 -0.023 0.000 0.658 471 V HN 0.348 nan 8.190 nan 0.000 0.452 472 L N 0.206 121.393 121.223 -0.061 0.000 1.994 472 L HA -0.193 4.147 4.340 -0.001 0.000 0.208 472 L C 2.640 179.459 176.870 -0.086 0.000 1.071 472 L CA 1.968 56.752 54.840 -0.092 0.000 0.745 472 L CB -0.561 41.409 42.059 -0.148 0.000 0.892 472 L HN 0.351 nan 8.230 nan 0.000 0.431 473 A N -0.179 122.600 122.820 -0.069 0.000 1.908 473 A HA -0.197 4.122 4.320 -0.001 0.000 0.218 473 A C 2.275 179.784 177.584 -0.125 0.000 1.181 473 A CA 1.764 53.744 52.037 -0.094 0.000 0.627 473 A CB -1.454 17.499 19.000 -0.078 0.000 0.818 473 A HN 0.571 nan 8.150 nan 0.000 0.445 474 G N -0.084 108.652 108.800 -0.107 0.000 2.442 474 G HA2 -0.201 3.758 3.960 -0.001 0.000 0.219 474 G HA3 -0.201 3.758 3.960 -0.001 0.000 0.219 474 G C 1.509 176.318 174.900 -0.152 0.000 1.141 474 G CA 1.203 46.224 45.100 -0.132 0.000 0.763 474 G HN 0.516 nan 8.290 nan 0.000 0.554 475 I N 0.192 120.687 120.570 -0.125 0.000 2.233 475 I HA -0.107 4.063 4.170 -0.001 0.000 0.243 475 I C 2.765 178.825 176.117 -0.096 0.000 1.093 475 I CA 0.358 61.589 61.300 -0.115 0.000 1.380 475 I CB -0.378 37.566 38.000 -0.093 0.000 1.067 475 I HN 0.009 nan 8.210 nan 0.000 0.413 476 V N 1.416 121.276 119.914 -0.089 0.000 2.287 476 V HA -0.291 3.828 4.120 -0.001 0.000 0.248 476 V C 2.401 178.447 176.094 -0.081 0.000 1.053 476 V CA 1.841 64.100 62.300 -0.068 0.000 1.027 476 V CB -0.641 31.140 31.823 -0.071 0.000 0.646 476 V HN 0.384 nan 8.190 nan 0.000 0.447 477 L N -0.875 120.254 121.223 -0.156 0.000 2.201 477 L HA -0.129 4.210 4.340 -0.001 0.000 0.212 477 L C 2.360 179.154 176.870 -0.126 0.000 1.105 477 L CA 1.083 55.784 54.840 -0.232 0.000 0.775 477 L CB -0.392 41.441 42.059 -0.376 0.000 0.913 477 L HN 0.347 nan 8.230 nan 0.000 0.440 478 L N -0.638 120.522 121.223 -0.105 0.000 2.109 478 L HA -0.160 4.180 4.340 -0.001 0.000 0.207 478 L C 2.450 179.322 176.870 0.004 0.000 1.086 478 L CA 0.841 55.638 54.840 -0.071 0.000 0.760 478 L CB 0.066 42.042 42.059 -0.138 0.000 0.910 478 L HN 0.022 nan 8.230 nan 0.000 0.437 479 V N 0.182 120.100 119.914 0.006 0.000 2.261 479 V HA -0.286 3.833 4.120 -0.001 0.000 0.246 479 V C 2.814 178.985 176.094 0.128 0.000 1.047 479 V CA 1.714 64.046 62.300 0.053 0.000 1.015 479 V CB -1.127 30.721 31.823 0.041 0.000 0.642 479 V HN 0.563 nan 8.190 nan 0.000 0.446 480 A N 0.075 122.984 122.820 0.149 0.000 1.873 480 A HA -0.260 4.060 4.320 -0.001 0.000 0.218 480 A C 2.208 180.031 177.584 0.398 0.000 1.193 480 A CA 2.407 54.617 52.037 0.288 0.000 0.629 480 A CB -0.756 18.435 19.000 0.318 0.000 0.826 480 A HN 0.455 nan 8.150 nan 0.000 0.447 481 L N -0.158 121.286 121.223 0.368 0.000 2.012 481 L HA -0.159 4.180 4.340 -0.001 0.000 0.210 481 L C 2.363 179.443 176.870 0.349 0.000 1.073 481 L CA 1.840 56.940 54.840 0.433 0.000 0.748 481 L CB -0.551 41.694 42.059 0.310 0.000 0.891 481 L HN 0.441 nan 8.230 nan 0.000 0.431 482 L N -1.335 120.022 121.223 0.223 0.000 2.012 482 L HA -0.263 4.076 4.340 -0.001 0.000 0.210 482 L C 2.559 179.556 176.870 0.211 0.000 1.073 482 L CA 1.470 56.409 54.840 0.165 0.000 0.748 482 L CB -0.654 41.462 42.059 0.094 0.000 0.891 482 L HN 0.313 nan 8.230 nan 0.000 0.431 483 L N -1.349 120.019 121.223 0.242 0.000 2.083 483 L HA -0.242 4.098 4.340 -0.001 0.000 0.209 483 L C 2.575 179.600 176.870 0.260 0.000 1.083 483 L CA 1.113 56.112 54.840 0.265 0.000 0.752 483 L CB -0.525 41.673 42.059 0.232 0.000 0.899 483 L HN 0.196 nan 8.230 nan 0.000 0.433 484 F N 1.138 121.178 119.950 0.151 0.000 2.075 484 F HA -0.208 4.319 4.527 -0.001 0.000 0.297 484 F C 2.291 178.146 175.800 0.092 0.000 1.113 484 F CA 1.463 59.506 58.000 0.073 0.000 1.218 484 F CB -0.287 38.725 39.000 0.019 0.000 0.984 484 F HN -0.124 nan 8.300 nan 0.000 0.472 485 I N -0.658 119.911 120.570 -0.001 0.000 2.264 485 I HA -0.368 3.802 4.170 -0.001 0.000 0.248 485 I C 2.434 178.635 176.117 0.141 0.000 1.111 485 I CA 1.833 63.139 61.300 0.010 0.000 1.382 485 I CB -0.836 37.251 38.000 0.144 0.000 1.060 485 I HN 0.334 nan 8.210 nan 0.000 0.418 486 Y N 1.613 121.898 120.300 -0.024 0.000 2.092 486 Y HA -0.222 4.328 4.550 -0.000 0.000 0.282 486 Y C 2.615 178.500 175.900 -0.025 0.000 1.126 486 Y CA 1.142 59.239 58.100 -0.004 0.000 1.111 486 Y CB -0.452 38.013 38.460 0.008 0.000 0.987 486 Y HN 0.137 nan 8.280 nan 0.000 0.489 487 G N 0.931 109.682 108.800 -0.083 0.000 2.469 487 G HA2 -0.353 3.607 3.960 -0.001 0.000 0.220 487 G HA3 -0.353 3.607 3.960 -0.001 0.000 0.220 487 G C 1.455 176.197 174.900 -0.265 0.000 1.136 487 G CA 1.196 46.165 45.100 -0.219 0.000 0.759 487 G HN 0.444 nan 8.290 nan 0.000 0.562 488 L N -0.354 120.603 121.223 -0.442 0.000 1.976 488 L HA 0.147 4.486 4.340 -0.001 0.000 0.209 488 L C 2.542 179.182 176.870 -0.383 0.000 1.071 488 L CA 1.686 56.167 54.840 -0.599 0.000 0.746 488 L CB -0.783 40.682 42.059 -0.991 0.000 0.890 488 L HN 0.190 nan 8.230 nan 0.000 0.432 489 F N -0.686 119.137 119.950 -0.213 0.000 2.269 489 F HA -0.139 4.387 4.527 -0.000 0.000 0.301 489 F C 2.888 178.651 175.800 -0.061 0.000 1.082 489 F CA 1.333 59.273 58.000 -0.101 0.000 1.360 489 F CB -1.077 37.896 39.000 -0.045 0.000 1.041 489 F HN 0.229 nan 8.300 nan 0.000 0.512 490 S N 0.094 115.852 115.700 0.097 0.000 2.345 490 S HA -0.132 4.338 4.470 -0.001 0.000 0.220 490 S C 2.174 176.750 174.600 -0.040 0.000 1.031 490 S CA 1.513 59.730 58.200 0.029 0.000 0.996 490 S CB -0.551 62.577 63.200 -0.119 0.000 0.882 490 S HN 0.092 nan 8.310 nan 0.000 0.445 491 V N 1.631 121.477 119.914 -0.113 0.000 2.759 491 V HA -0.059 4.060 4.120 -0.001 0.000 0.256 491 V C 2.152 178.176 176.094 -0.117 0.000 1.080 491 V CA 1.167 63.389 62.300 -0.130 0.000 1.101 491 V CB -0.614 31.076 31.823 -0.221 0.000 0.698 491 V HN 0.354 nan 8.190 nan 0.000 0.477 492 L N -1.067 120.082 121.223 -0.124 0.000 2.253 492 L HA 0.158 4.497 4.340 -0.001 0.000 0.205 492 L C 1.858 178.704 176.870 -0.041 0.000 1.078 492 L CA 1.480 56.258 54.840 -0.103 0.000 0.805 492 L CB -0.400 41.563 42.059 -0.160 0.000 0.963 492 L HN 0.197 nan 8.230 nan 0.000 0.459 493 L N -1.526 119.695 121.223 -0.003 0.000 2.591 493 L HA 0.134 4.474 4.340 -0.001 0.000 0.228 493 L C 1.120 178.003 176.870 0.021 0.000 1.133 493 L CA -0.123 54.733 54.840 0.027 0.000 0.880 493 L CB -0.249 41.853 42.059 0.070 0.000 1.033 493 L HN 0.093 nan 8.230 nan 0.000 0.450 494 S N 0.927 116.630 115.700 0.006 0.000 2.614 494 S HA 0.525 4.995 4.470 -0.001 0.000 0.265 494 S C 0.105 174.707 174.600 0.003 0.000 1.303 494 S CA -0.498 57.706 58.200 0.007 0.000 1.000 494 S CB 0.813 64.011 63.200 -0.003 0.000 0.935 494 S HN 0.500 nan 8.310 nan 0.000 0.551 502 A N 0.781 123.599 122.820 -0.004 0.000 1.933 502 A HA -0.143 4.176 4.320 -0.001 0.000 0.218 502 A C 1.742 179.299 177.584 -0.045 0.000 1.175 502 A CA 1.894 53.919 52.037 -0.019 0.000 0.628 502 A CB -0.288 18.696 19.000 -0.026 0.000 0.814 502 A HN 0.514 nan 8.150 nan 0.000 0.444 503 E N -0.183 119.991 120.200 -0.043 0.000 2.502 503 E HA 0.260 4.610 4.350 -0.001 0.000 0.194 503 E C 0.512 177.086 176.600 -0.044 0.000 1.062 503 E CA 0.059 56.422 56.400 -0.063 0.000 0.867 503 E CB -0.050 29.625 29.700 -0.041 0.000 0.888 503 E HN 0.576 nan 8.360 nan 0.000 0.510 504 A N 2.463 125.270 122.820 -0.021 0.000 2.309 504 A HA 0.398 4.717 4.320 -0.001 0.000 0.298 504 A C -2.271 175.310 177.584 -0.005 0.000 1.165 504 A CA -1.462 50.572 52.037 -0.005 0.000 0.821 504 A CB 0.330 19.335 19.000 0.008 0.000 1.102 504 A HN -0.113 nan 8.150 nan 0.000 0.500 505 P HA 0.211 nan 4.420 nan 0.000 0.272 505 P C -0.440 176.835 177.300 -0.040 0.000 1.254 505 P CA -0.364 62.736 63.100 0.001 0.000 0.795 505 P CB 0.324 32.047 31.700 0.038 0.000 1.022 506 L N 1.386 122.526 121.223 -0.138 0.000 2.439 506 L HA 0.157 4.497 4.340 -0.001 0.000 0.269 506 L C -1.584 175.056 176.870 -0.382 0.000 1.179 506 L CA -1.540 53.112 54.840 -0.314 0.000 0.828 506 L CB -0.020 41.603 42.059 -0.727 0.000 1.106 506 L HN 0.268 nan 8.230 nan 0.000 0.467 507 P HA -0.013 nan 4.420 nan 0.000 0.277 507 P C -0.533 176.623 177.300 -0.241 0.000 1.617 507 P CA 0.246 63.178 63.100 -0.281 0.000 0.829 507 P CB -0.512 30.975 31.700 -0.356 0.000 1.774 508 F N 0.855 120.743 119.950 -0.103 0.000 2.578 508 F HA 0.161 4.688 4.527 -0.001 0.000 0.376 508 F C 1.488 177.235 175.800 -0.088 0.000 1.085 508 F CA -0.870 57.070 58.000 -0.100 0.000 1.260 508 F CB 0.492 39.447 39.000 -0.076 0.000 1.095 508 F HN 0.070 nan 8.300 nan 0.000 0.573 509 A N 3.831 126.722 122.820 0.118 0.000 2.271 509 A HA 0.362 4.682 4.320 -0.001 0.000 0.288 509 A C -0.204 177.389 177.584 0.015 0.000 1.094 509 A CA -0.740 51.317 52.037 0.033 0.000 0.828 509 A CB 0.394 19.393 19.000 -0.001 0.000 1.091 509 A HN 0.785 nan 8.150 nan 0.000 0.493 510 E N -0.390 119.806 120.200 -0.006 0.000 2.349 510 E HA 0.465 4.814 4.350 -0.001 0.000 0.265 510 E C -0.994 175.571 176.600 -0.058 0.000 1.064 510 E CA -0.550 55.836 56.400 -0.024 0.000 0.886 510 E CB 1.290 30.983 29.700 -0.013 0.000 1.036 510 E HN 0.315 nan 8.360 nan 0.000 0.413 511 V N 2.635 122.506 119.914 -0.072 0.000 2.628 511 V HA 0.311 4.431 4.120 -0.001 0.000 0.306 511 V C -0.101 175.929 176.094 -0.106 0.000 1.045 511 V CA -0.753 61.487 62.300 -0.100 0.000 0.905 511 V CB 1.603 33.365 31.823 -0.102 0.000 0.997 511 V HN 0.541 nan 8.190 nan 0.000 0.436 512 I N 3.156 123.641 120.570 -0.142 0.000 2.301 512 I HA 0.280 4.449 4.170 -0.001 0.000 0.292 512 I C 0.614 176.669 176.117 -0.103 0.000 1.046 512 I CA 0.398 61.618 61.300 -0.133 0.000 1.282 512 I CB 1.268 39.147 38.000 -0.203 0.000 1.409 512 I HN 0.650 nan 8.210 nan 0.000 0.484 513 S N 4.343 119.998 115.700 -0.075 0.000 2.672 513 S HA 0.818 5.288 4.470 -0.001 0.000 0.276 513 S C -0.048 174.521 174.600 -0.051 0.000 1.207 513 S CA -0.333 57.829 58.200 -0.064 0.000 1.002 513 S CB 1.490 64.658 63.200 -0.053 0.000 0.998 513 S HN 0.763 nan 8.310 nan 0.000 0.542 514 G N 1.525 110.297 108.800 -0.046 0.000 2.672 514 G HA2 0.557 4.517 3.960 -0.001 0.000 0.292 514 G HA3 0.557 4.517 3.960 -0.001 0.000 0.292 514 G C -2.630 172.251 174.900 -0.030 0.000 1.375 514 G CA -1.222 43.857 45.100 -0.035 0.000 0.890 514 G HN 0.483 nan 8.290 nan 0.000 0.476 515 P HA -0.036 nan 4.420 nan 0.000 0.220 515 P C 1.314 178.602 177.300 -0.021 0.000 1.148 515 P CA 0.985 64.073 63.100 -0.020 0.000 0.803 515 P CB 0.506 32.197 31.700 -0.015 0.000 0.782 516 E N -0.424 119.762 120.200 -0.024 0.000 2.158 516 E HA -0.163 4.186 4.350 -0.001 0.000 0.191 516 E C 1.179 177.760 176.600 -0.032 0.000 0.982 516 E CA 0.658 57.043 56.400 -0.025 0.000 0.823 516 E CB -0.238 29.447 29.700 -0.025 0.000 0.766 516 E HN 0.101 nan 8.360 nan 0.000 0.468 517 D N 0.884 121.259 120.400 -0.041 0.000 2.269 517 D HA -0.305 4.335 4.640 -0.001 0.000 0.191 517 D C 1.833 178.102 176.300 -0.051 0.000 1.007 517 D CA 1.651 55.619 54.000 -0.054 0.000 0.855 517 D CB -0.591 40.173 40.800 -0.060 0.000 0.979 517 D HN 0.162 nan 8.370 nan 0.000 0.452 518 R N 0.641 121.117 120.500 -0.039 0.000 2.162 518 R HA -0.286 4.053 4.340 -0.001 0.000 0.245 518 R C 2.363 178.649 176.300 -0.022 0.000 1.129 518 R CA 2.294 58.377 56.100 -0.029 0.000 0.940 518 R CB -0.250 30.039 30.300 -0.018 0.000 0.875 518 R HN 0.168 nan 8.270 nan 0.000 0.437 519 R N -0.015 120.475 120.500 -0.017 0.000 2.094 519 R HA -0.190 4.150 4.340 -0.001 0.000 0.239 519 R C 2.347 178.644 176.300 -0.005 0.000 1.137 519 R CA 2.064 58.160 56.100 -0.007 0.000 0.943 519 R CB -0.374 29.922 30.300 -0.006 0.000 0.850 519 R HN 0.225 nan 8.270 nan 0.000 0.433 520 L N 0.257 121.468 121.223 -0.020 0.000 1.989 520 L HA -0.178 4.161 4.340 -0.001 0.000 0.211 520 L C 2.503 179.345 176.870 -0.047 0.000 1.071 520 L CA 1.357 56.180 54.840 -0.029 0.000 0.749 520 L CB -0.901 41.127 42.059 -0.052 0.000 0.890 520 L HN 0.044 nan 8.230 nan 0.000 0.431 521 V N -0.708 119.159 119.914 -0.078 0.000 2.332 521 V HA -0.287 3.832 4.120 -0.001 0.000 0.248 521 V C 2.440 178.496 176.094 -0.064 0.000 1.055 521 V CA 1.411 63.636 62.300 -0.125 0.000 1.038 521 V CB -0.524 31.223 31.823 -0.127 0.000 0.651 521 V HN 0.281 nan 8.190 nan 0.000 0.450 522 L N 0.211 121.431 121.223 -0.005 0.000 2.141 522 L HA -0.028 4.312 4.340 -0.001 0.000 0.209 522 L C 2.555 179.486 176.870 0.101 0.000 1.094 522 L CA 2.057 56.924 54.840 0.045 0.000 0.763 522 L CB -1.334 40.746 42.059 0.035 0.000 0.908 522 L HN 0.285 nan 8.230 nan 0.000 0.437 523 A N -0.937 121.948 122.820 0.108 0.000 1.898 523 A HA -0.176 4.144 4.320 -0.001 0.000 0.216 523 A C 2.268 180.101 177.584 0.415 0.000 1.181 523 A CA 1.660 53.826 52.037 0.215 0.000 0.620 523 A CB -0.441 18.671 19.000 0.187 0.000 0.819 523 A HN 0.378 nan 8.150 nan 0.000 0.442 524 M N -0.869 118.864 119.600 0.222 0.000 2.394 524 M HA -0.066 4.414 4.480 -0.001 0.000 0.264 524 M C 1.190 177.700 176.300 0.350 0.000 1.073 524 M CA 1.062 56.468 55.300 0.177 0.000 1.111 524 M CB -0.275 32.237 32.600 -0.148 0.000 1.401 524 M HN 0.245 nan 8.290 nan 0.000 0.448 525 D N 0.904 121.457 120.400 0.255 0.000 2.378 525 D HA -0.022 4.618 4.640 -0.001 0.000 0.227 525 D C 0.466 177.044 176.300 0.463 0.000 1.012 525 D CA 0.509 54.722 54.000 0.356 0.000 0.905 525 D CB 0.155 41.084 40.800 0.215 0.000 0.895 525 D HN 0.168 nan 8.370 nan 0.000 0.532 526 R N 0.548 121.351 120.500 0.505 0.000 4.496 526 R HA 0.208 4.548 4.340 -0.001 0.000 0.211 526 R C 1.385 178.011 176.300 0.544 0.000 1.738 526 R CA -0.208 56.134 56.100 0.403 0.000 1.528 526 R CB -0.020 30.397 30.300 0.195 0.000 1.414 526 R HN 0.280 nan 8.270 nan 0.000 0.812 527 I N 0.039 120.933 120.570 0.540 0.000 2.151 527 I HA -0.296 3.874 4.170 -0.001 0.000 0.243 527 I C 2.481 178.826 176.117 0.381 0.000 1.080 527 I CA 1.737 63.300 61.300 0.439 0.000 1.339 527 I CB -0.461 37.664 38.000 0.208 0.000 1.039 527 I HN 0.559 nan 8.210 nan 0.000 0.409 528 G N 0.735 109.751 108.800 0.360 0.000 2.476 528 G HA2 -0.334 3.625 3.960 -0.001 0.000 0.218 528 G HA3 -0.334 3.625 3.960 -0.001 0.000 0.218 528 G C 1.591 176.662 174.900 0.285 0.000 1.164 528 G CA 0.862 46.150 45.100 0.314 0.000 0.768 528 G HN 0.371 nan 8.290 nan 0.000 0.560 529 F N 0.358 120.339 119.950 0.052 0.000 2.075 529 F HA -0.016 4.511 4.527 -0.001 0.000 0.297 529 F C 2.421 178.151 175.800 -0.116 0.000 1.113 529 F CA 1.379 59.300 58.000 -0.132 0.000 1.218 529 F CB -0.438 38.344 39.000 -0.363 0.000 0.984 529 F HN 0.230 nan 8.300 nan 0.000 0.472 530 W N -0.568 120.785 121.300 0.088 0.000 2.350 530 W HA -0.183 4.477 4.660 -0.001 0.000 0.289 530 W C 2.505 179.034 176.519 0.017 0.000 1.215 530 W CA 1.181 58.509 57.345 -0.027 0.000 1.236 530 W CB -0.825 28.726 29.460 0.151 0.000 1.130 530 W HN 0.144 nan 8.180 nan 0.000 0.541 531 F N 0.913 120.934 119.950 0.118 0.000 2.113 531 F HA -0.202 4.324 4.527 -0.001 0.000 0.297 531 F C 2.423 178.213 175.800 -0.015 0.000 1.103 531 F CA 1.580 59.615 58.000 0.059 0.000 1.248 531 F CB -0.395 38.640 39.000 0.058 0.000 0.999 531 F HN -0.135 nan 8.300 nan 0.000 0.475 532 A N -0.148 122.591 122.820 -0.134 0.000 1.940 532 A HA -0.165 4.154 4.320 -0.001 0.000 0.219 532 A C 2.164 179.580 177.584 -0.280 0.000 1.176 532 A CA 1.886 53.761 52.037 -0.270 0.000 0.631 532 A CB -1.300 17.588 19.000 -0.186 0.000 0.814 532 A HN 0.298 nan 8.150 nan 0.000 0.446 533 V N -0.282 119.442 119.914 -0.316 0.000 2.358 533 V HA -0.229 3.891 4.120 -0.001 0.000 0.246 533 V C 3.032 179.057 176.094 -0.116 0.000 1.047 533 V CA 1.857 64.008 62.300 -0.249 0.000 1.035 533 V CB -1.153 30.503 31.823 -0.278 0.000 0.658 533 V HN 0.622 nan 8.190 nan 0.000 0.452 534 A N -0.027 122.754 122.820 -0.064 0.000 1.902 534 A HA -0.091 4.229 4.320 -0.001 0.000 0.217 534 A C 2.410 179.910 177.584 -0.141 0.000 1.181 534 A CA 2.016 54.029 52.037 -0.041 0.000 0.623 534 A CB -0.706 18.334 19.000 0.068 0.000 0.818 534 A HN 0.556 nan 8.150 nan 0.000 0.443 535 A N -0.152 122.515 122.820 -0.256 0.000 1.898 535 A HA -0.028 4.291 4.320 -0.001 0.000 0.216 535 A C 2.111 179.581 177.584 -0.190 0.000 1.181 535 A CA 1.387 53.259 52.037 -0.276 0.000 0.620 535 A CB -0.557 18.198 19.000 -0.409 0.000 0.819 535 A HN 0.482 nan 8.150 nan 0.000 0.442 536 I N -0.333 120.136 120.570 -0.167 0.000 2.226 536 I HA -0.264 3.905 4.170 -0.001 0.000 0.245 536 I C 2.374 178.435 176.117 -0.094 0.000 1.100 536 I CA 1.105 62.336 61.300 -0.115 0.000 1.374 536 I CB -0.294 37.643 38.000 -0.104 0.000 1.057 536 I HN 0.310 nan 8.210 nan 0.000 0.413 537 L N -0.168 120.996 121.223 -0.097 0.000 2.046 537 L HA -0.208 4.132 4.340 -0.001 0.000 0.208 537 L C 2.569 179.363 176.870 -0.127 0.000 1.077 537 L CA 1.060 55.849 54.840 -0.085 0.000 0.747 537 L CB -0.508 41.509 42.059 -0.070 0.000 0.896 537 L HN 0.085 nan 8.230 nan 0.000 0.432 538 V N -0.787 119.017 119.914 -0.182 0.000 2.343 538 V HA -0.239 3.881 4.120 -0.001 0.000 0.247 538 V C 2.390 178.350 176.094 -0.224 0.000 1.051 538 V CA 1.430 63.561 62.300 -0.282 0.000 1.036 538 V CB -0.144 31.412 31.823 -0.446 0.000 0.654 538 V HN 0.203 nan 8.190 nan 0.000 0.451 539 V N -0.245 119.577 119.914 -0.152 0.000 2.407 539 V HA -0.230 3.890 4.120 -0.001 0.000 0.248 539 V C 2.238 178.307 176.094 -0.041 0.000 1.055 539 V CA 1.802 64.055 62.300 -0.079 0.000 1.049 539 V CB -0.493 31.300 31.823 -0.051 0.000 0.662 539 V HN 0.451 nan 8.190 nan 0.000 0.455 540 L N -0.099 121.107 121.223 -0.028 0.000 2.156 540 L HA -0.066 4.274 4.340 -0.001 0.000 0.208 540 L C 2.607 179.510 176.870 0.056 0.000 1.095 540 L CA 1.373 56.239 54.840 0.044 0.000 0.770 540 L CB -0.645 41.451 42.059 0.061 0.000 0.914 540 L HN 0.353 nan 8.230 nan 0.000 0.439 541 A N -1.350 121.439 122.820 -0.051 0.000 1.975 541 A HA -0.115 4.204 4.320 -0.001 0.000 0.215 541 A C 1.794 179.109 177.584 -0.448 0.000 1.170 541 A CA 1.086 53.031 52.037 -0.154 0.000 0.656 541 A CB -0.296 18.487 19.000 -0.361 0.000 0.821 541 A HN 0.363 nan 8.150 nan 0.000 0.449 542 Y N -0.994 119.114 120.300 -0.320 0.000 2.558 542 Y HA 0.211 4.760 4.550 -0.001 0.000 0.273 542 Y C 2.612 178.426 175.900 -0.142 0.000 1.100 542 Y CA 0.077 58.034 58.100 -0.237 0.000 1.276 542 Y CB -0.466 37.840 38.460 -0.257 0.000 1.196 542 Y HN 0.296 nan 8.280 nan 0.000 0.527 543 G N 1.548 110.353 108.800 0.008 0.000 2.529 543 G HA2 -0.259 3.700 3.960 -0.001 0.000 0.219 543 G HA3 -0.259 3.700 3.960 -0.001 0.000 0.219 543 G C -0.649 174.237 174.900 -0.023 0.000 1.177 543 G CA 1.247 46.360 45.100 0.023 0.000 0.773 543 G HN 0.274 nan 8.290 nan 0.000 0.573 544 P HA -0.056 nan 4.420 nan 0.000 0.214 544 P C 2.145 179.371 177.300 -0.123 0.000 1.163 544 P CA 1.985 65.032 63.100 -0.089 0.000 0.883 544 P CB -0.273 31.395 31.700 -0.053 0.000 0.788 545 T N -0.310 114.055 114.554 -0.316 0.000 2.708 545 T HA -0.111 4.239 4.350 -0.001 0.000 0.266 545 T C 1.732 176.449 174.700 0.029 0.000 1.037 545 T CA 1.124 63.110 62.100 -0.190 0.000 1.146 545 T CB -0.944 67.773 68.868 -0.252 0.000 0.865 545 T HN 0.033 nan 8.240 nan 0.000 0.435 546 L N 0.614 121.925 121.223 0.146 0.000 2.141 546 L HA -0.049 4.291 4.340 -0.001 0.000 0.209 546 L C 2.585 179.652 176.870 0.328 0.000 1.094 546 L CA 0.705 55.736 54.840 0.317 0.000 0.763 546 L CB -0.503 41.804 42.059 0.415 0.000 0.908 546 L HN 0.155 nan 8.230 nan 0.000 0.437 547 V N -0.378 119.644 119.914 0.180 0.000 2.515 547 V HA -0.292 3.828 4.120 -0.001 0.000 0.250 547 V C 2.415 178.609 176.094 0.166 0.000 1.058 547 V CA 1.701 64.094 62.300 0.155 0.000 1.064 547 V CB -0.320 31.555 31.823 0.087 0.000 0.675 547 V HN 0.528 nan 8.190 nan 0.000 0.461 548 Q N -0.624 119.253 119.800 0.128 0.000 2.172 548 Q HA -0.097 4.242 4.340 -0.001 0.000 0.200 548 Q C 2.231 178.308 176.000 0.128 0.000 0.964 548 Q CA 1.211 57.082 55.803 0.113 0.000 0.855 548 Q CB 0.050 28.835 28.738 0.079 0.000 0.918 548 Q HN 0.586 nan 8.270 nan 0.000 0.444 549 L N -0.547 120.752 121.223 0.126 0.000 2.023 549 L HA -0.113 4.226 4.340 -0.001 0.000 0.205 549 L C 1.983 178.884 176.870 0.052 0.000 1.073 549 L CA 0.961 55.831 54.840 0.050 0.000 0.745 549 L CB -0.436 41.618 42.059 -0.008 0.000 0.900 549 L HN 0.221 nan 8.230 nan 0.000 0.435 550 F N 0.226 120.221 119.950 0.075 0.000 2.546 550 F HA -0.050 4.477 4.527 -0.000 0.000 0.298 550 F C 2.192 178.041 175.800 0.082 0.000 1.120 550 F CA 0.968 59.020 58.000 0.087 0.000 1.456 550 F CB -0.490 38.567 39.000 0.095 0.000 1.088 550 F HN 0.016 nan 8.300 nan 0.000 0.572 551 G N -2.734 106.208 108.800 0.236 0.000 3.042 551 G HA2 -0.065 3.895 3.960 -0.001 0.000 0.212 551 G HA3 -0.065 3.895 3.960 -0.001 0.000 0.212 551 G C 0.363 175.359 174.900 0.161 0.000 1.166 551 G CA 0.099 45.297 45.100 0.164 0.000 0.767 551 G HN 0.532 nan 8.290 nan 0.000 0.546 552 H N -0.376 118.711 119.070 0.029 0.000 3.186 552 H HA 0.323 4.878 4.556 -0.001 0.000 0.219 552 H C -0.307 174.991 175.328 -0.050 0.000 1.393 552 H CA -0.753 55.292 56.048 -0.005 0.000 1.183 552 H CB 0.082 29.840 29.762 -0.006 0.000 2.346 552 H HN -0.025 nan 8.280 nan 0.000 0.535 553 L N 1.477 122.730 121.223 0.051 0.000 2.461 553 L HA 0.064 4.404 4.340 -0.001 0.000 0.272 553 L C 0.508 177.326 176.870 -0.086 0.000 1.197 553 L CA 0.203 54.986 54.840 -0.094 0.000 0.836 553 L CB 0.362 42.359 42.059 -0.103 0.000 1.105 553 L HN 0.444 nan 8.230 nan 0.000 0.477 554 N N 3.294 121.895 118.700 -0.166 0.000 2.725 554 N HA 0.257 4.997 4.740 -0.001 0.000 0.248 554 N C -2.651 172.762 175.510 -0.162 0.000 1.402 554 N CA -1.463 51.508 53.050 -0.133 0.000 0.766 554 N CB 1.008 39.405 38.487 -0.150 0.000 1.223 554 N HN 0.180 nan 8.380 nan 0.000 0.515 555 P HA 0.072 nan 4.420 nan 0.000 0.268 555 P C -0.363 176.868 177.300 -0.114 0.000 1.205 555 P CA -0.158 62.826 63.100 -0.194 0.000 0.771 555 P CB 1.145 32.750 31.700 -0.159 0.000 0.858 556 V N -0.323 119.522 119.914 -0.116 0.000 2.914 556 V HA 0.654 4.773 4.120 -0.001 0.000 0.314 556 V C -2.851 173.298 176.094 0.092 0.000 1.084 556 V CA -3.247 59.054 62.300 0.003 0.000 0.963 556 V CB 1.413 33.246 31.823 0.016 0.000 1.025 556 V HN 0.273 nan 8.190 nan 0.000 0.432 557 P HA 0.348 nan 4.420 nan 0.000 0.272 557 P C 0.308 177.880 177.300 0.453 0.000 1.223 557 P CA 0.519 63.785 63.100 0.276 0.000 0.784 557 P CB 0.521 32.312 31.700 0.152 0.000 0.923 558 G N 0.662 109.769 108.800 0.512 0.000 2.599 558 G HA2 0.427 4.387 3.960 -0.001 0.000 0.264 558 G HA3 0.427 4.387 3.960 -0.001 0.000 0.264 558 G C -1.605 173.443 174.900 0.246 0.000 1.200 558 G CA -0.311 45.145 45.100 0.592 0.000 0.896 558 G HN 0.389 nan 8.290 nan 0.000 0.536 559 W N -1.395 119.996 121.300 0.151 0.000 3.107 559 W HA 0.612 5.271 4.660 -0.001 0.000 0.331 559 W C 0.076 176.566 176.519 -0.047 0.000 1.204 559 W CA -0.923 56.448 57.345 0.043 0.000 1.184 559 W CB 1.947 31.452 29.460 0.074 0.000 1.421 559 W HN 0.408 nan 8.180 nan 0.000 0.544 560 R N 2.984 123.459 120.500 -0.042 0.000 2.494 560 R HA 0.386 4.725 4.340 -0.001 0.000 0.284 560 R C -0.943 175.095 176.300 -0.437 0.000 1.525 560 R CA -0.310 55.413 56.100 -0.628 0.000 1.460 560 R CB 0.073 29.890 30.300 -0.806 0.000 1.134 560 R HN 0.717 nan 8.270 nan 0.000 0.592 561 L N 4.487 125.685 121.223 -0.043 0.000 2.955 561 L HA 0.281 4.620 4.340 -0.001 0.000 0.238 561 L C -0.712 176.281 176.870 0.206 0.000 1.359 561 L CA -0.279 54.630 54.840 0.115 0.000 1.214 561 L CB -0.497 41.678 42.059 0.194 0.000 1.600 561 L HN 0.516 nan 8.230 nan 0.000 0.442 562 W N 0.000 121.333 121.300 0.055 0.000 2.388 562 W HA 0.000 4.660 4.660 -0.001 0.000 0.303 562 W CA 0.000 57.369 57.345 0.041 0.000 1.226 562 W CB 0.000 29.475 29.460 0.026 0.000 1.126 562 W HN 0.000 nan 8.180 nan 0.000 0.535