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 3kzw_1_C DATA FIRST_RESID -2 DATA SEQUENCE SNAMNFKLNN TLSNEINTLI IGIPEHLNQL ERISFNHIDI TESLERLKHQ DATA SEQUENCE HIIGSKVGKI YTTAFDVQDQ TYRLITVGLG NLKTRSYQDM LKIWGHLFQY DATA SEQUENCE IKSEHIEDTY LLMDSFISKY DQLSDVLMAC GIQSERATYE FDHYKSSKKA DATA SEQUENCE PFKTNLNLIS ESLIELDFIH EGISIGQSIN LARDFSNMPP NVLTPQTFAE DATA SEQUENCE DIVNHFKNTK VKVDVKDYDT LVSEGFGLLQ AVGKGSKHKP RLVTITYNGK DATA SEQUENCE DKDEAPIALV GKGITYDSGG YSIKTKNGMA TMKFDMCGAA NVVGIIEAAS DATA SEQUENCE RLQLPVNIVG VLACAENMIN EASMKPDDVF TALSGETVEV MNTDAEGRLV DATA SEQUENCE LADAVFYANQ YQPSVIMDFA TLTGAAIVAL GDDKAAAFES NSKVILNDIL DATA SEQUENCE QISSEVDEMV FELPITATER ASIKHSDIAD LVNHTNGQGK ALFAASFVTH DATA SEQUENCE FSGQTPHIHF DIAGPATTNK ASYNGPKGPT GFMIPTIVQW LKQQ VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f -2 S HA 0.000 nan 4.470 nan 0.000 0.327 -2 S C 0.000 174.577 174.600 -0.039 0.000 1.055 -2 S CA 0.000 58.180 58.200 -0.034 0.000 1.107 -2 S CB 0.000 63.175 63.200 -0.041 0.000 0.593 -1 N N 1.801 120.477 118.700 -0.039 0.000 2.508 -1 N HA 0.507 5.247 4.740 -0.000 0.000 0.264 -1 N C 1.135 176.593 175.510 -0.087 0.000 1.216 -1 N CA 0.432 53.458 53.050 -0.040 0.000 0.943 -1 N CB 0.904 39.387 38.487 -0.006 0.000 1.113 -1 N HN 0.714 nan 8.380 nan 0.000 0.447 0 A N 1.694 124.448 122.820 -0.109 0.000 1.930 0 A HA 0.072 4.392 4.320 -0.000 0.000 0.215 0 A C 0.452 177.893 177.584 -0.237 0.000 1.176 0 A CA 1.057 52.981 52.037 -0.189 0.000 0.632 0 A CB -0.020 18.874 19.000 -0.177 0.000 0.819 0 A HN 0.528 nan 8.150 nan 0.000 0.445 1 M N -0.535 118.942 119.600 -0.206 0.000 2.528 1 M HA 0.342 4.822 4.480 -0.000 0.000 0.321 1 M C -1.283 174.893 176.300 -0.206 0.000 1.153 1 M CA -0.666 54.450 55.300 -0.307 0.000 0.951 1 M CB 1.260 33.533 32.600 -0.546 0.000 1.705 1 M HN 0.186 nan 8.290 nan 0.000 0.451 2 N N 2.019 120.564 118.700 -0.257 0.000 2.558 2 N HA 0.418 5.157 4.740 -0.000 0.000 0.242 2 N C -1.894 173.519 175.510 -0.162 0.000 0.979 2 N CA -0.145 52.839 53.050 -0.111 0.000 0.931 2 N CB 0.310 38.757 38.487 -0.066 0.000 1.122 2 N HN 0.353 nan 8.380 nan 0.000 0.508 3 F N 2.427 122.383 119.950 0.011 0.000 2.424 3 F HA 0.367 4.894 4.527 -0.000 0.000 0.356 3 F C 0.808 176.630 175.800 0.036 0.000 1.110 3 F CA -0.257 57.747 58.000 0.005 0.000 1.161 3 F CB 0.937 39.904 39.000 -0.055 0.000 1.115 3 F HN 0.087 nan 8.300 nan 0.000 0.507 4 K N 3.966 124.471 120.400 0.174 0.000 2.345 4 K HA 0.543 4.863 4.320 -0.000 0.000 0.255 4 K C -1.471 175.218 176.600 0.147 0.000 0.934 4 K CA -1.059 55.312 56.287 0.140 0.000 0.801 4 K CB 2.553 35.111 32.500 0.097 0.000 1.137 4 K HN 0.392 nan 8.250 nan 0.000 0.424 5 L N 3.690 124.989 121.223 0.126 0.000 2.282 5 L HA 0.328 4.668 4.340 -0.000 0.000 0.288 5 L C -0.166 176.768 176.870 0.106 0.000 1.033 5 L CA 0.170 55.079 54.840 0.115 0.000 0.807 5 L CB 0.648 42.760 42.059 0.088 0.000 1.209 5 L HN 0.617 nan 8.230 nan 0.000 0.423 6 N N 2.408 121.177 118.700 0.115 0.000 2.701 6 N HA -0.282 4.457 4.740 -0.000 0.000 0.250 6 N C -0.221 175.352 175.510 0.105 0.000 1.046 6 N CA 0.664 53.775 53.050 0.102 0.000 0.733 6 N CB -1.200 37.329 38.487 0.071 0.000 0.973 6 N HN 0.710 nan 8.380 nan 0.000 0.541 7 N N 0.614 119.391 118.700 0.129 0.000 2.453 7 N HA 0.057 4.797 4.740 -0.000 0.000 0.253 7 N C -0.220 175.377 175.510 0.145 0.000 1.252 7 N CA 0.354 53.478 53.050 0.123 0.000 0.917 7 N CB 0.536 39.096 38.487 0.120 0.000 1.117 7 N HN 0.094 nan 8.380 nan 0.000 0.442 8 T N 3.011 117.637 114.554 0.118 0.000 2.867 8 T HA -0.035 4.315 4.350 -0.000 0.000 0.290 8 T C 0.375 175.183 174.700 0.179 0.000 1.025 8 T CA -0.285 61.886 62.100 0.118 0.000 1.146 8 T CB 0.077 69.000 68.868 0.092 0.000 1.024 8 T HN 0.182 nan 8.240 nan 0.000 0.519 9 L N 3.651 124.969 121.223 0.158 0.000 2.623 9 L HA 0.193 4.533 4.340 -0.000 0.000 0.281 9 L C 0.942 177.965 176.870 0.255 0.000 1.150 9 L CA 0.469 55.440 54.840 0.218 0.000 0.965 9 L CB -1.113 40.965 42.059 0.031 0.000 1.303 9 L HN 0.671 nan 8.230 nan 0.000 0.467 10 S N 2.290 118.196 115.700 0.344 0.000 2.585 10 S HA 0.326 4.795 4.470 -0.000 0.000 0.277 10 S C 1.271 176.016 174.600 0.241 0.000 1.241 10 S CA -0.646 57.687 58.200 0.222 0.000 1.041 10 S CB 0.820 64.105 63.200 0.142 0.000 0.987 10 S HN 0.594 nan 8.310 nan 0.000 0.512 11 N N 2.478 121.271 118.700 0.154 0.000 2.494 11 N HA -0.036 4.704 4.740 -0.000 0.000 0.182 11 N C 1.331 176.888 175.510 0.078 0.000 1.076 11 N CA 0.666 53.792 53.050 0.126 0.000 0.908 11 N CB -0.152 38.386 38.487 0.085 0.000 0.967 11 N HN 0.853 nan 8.380 nan 0.000 0.449 12 E N 0.206 120.444 120.200 0.063 0.000 2.418 12 E HA -0.009 4.341 4.350 -0.000 0.000 0.197 12 E C 0.012 176.615 176.600 0.006 0.000 1.026 12 E CA 0.562 56.977 56.400 0.025 0.000 0.862 12 E CB 0.020 29.730 29.700 0.016 0.000 0.799 12 E HN 0.260 nan 8.360 nan 0.000 0.518 13 I N 2.790 123.375 120.570 0.026 0.000 2.339 13 I HA 0.178 4.348 4.170 -0.000 0.000 0.290 13 I C -0.278 175.895 176.117 0.093 0.000 0.994 13 I CA -0.908 60.372 61.300 -0.032 0.000 1.191 13 I CB 1.281 39.100 38.000 -0.303 0.000 1.343 13 I HN 0.096 nan 8.210 nan 0.000 0.458 14 N N 3.060 121.779 118.700 0.032 0.000 2.365 14 N HA 0.125 4.865 4.740 -0.000 0.000 0.257 14 N C -0.687 174.928 175.510 0.175 0.000 1.287 14 N CA -0.399 52.617 53.050 -0.057 0.000 0.882 14 N CB 0.736 39.085 38.487 -0.230 0.000 1.250 14 N HN 0.359 nan 8.380 nan 0.000 0.507 15 T N 0.839 115.545 114.554 0.255 0.000 2.861 15 T HA 0.577 4.926 4.350 -0.000 0.000 0.287 15 T C -1.115 173.733 174.700 0.246 0.000 1.003 15 T CA -0.564 61.670 62.100 0.223 0.000 0.977 15 T CB 2.137 71.072 68.868 0.111 0.000 0.996 15 T HN 0.161 nan 8.240 nan 0.000 0.448 16 L N 3.351 124.675 121.223 0.170 0.000 2.436 16 L HA 0.703 5.043 4.340 -0.000 0.000 0.268 16 L C -1.662 175.215 176.870 0.011 0.000 0.974 16 L CA -0.636 54.224 54.840 0.035 0.000 0.826 16 L CB 1.401 43.336 42.059 -0.206 0.000 1.291 16 L HN 0.676 nan 8.230 nan 0.000 0.406 17 I N 6.082 126.680 120.570 0.046 0.000 2.389 17 I HA 0.508 4.678 4.170 -0.000 0.000 0.288 17 I C -0.736 175.435 176.117 0.090 0.000 0.999 17 I CA -0.345 61.005 61.300 0.083 0.000 1.129 17 I CB 1.538 39.636 38.000 0.164 0.000 1.288 17 I HN 0.447 nan 8.210 nan 0.000 0.444 18 I N 4.584 125.150 120.570 -0.006 0.000 2.582 18 I HA 0.475 4.645 4.170 -0.000 0.000 0.292 18 I C 0.399 176.341 176.117 -0.292 0.000 1.066 18 I CA -0.701 60.536 61.300 -0.105 0.000 1.053 18 I CB 2.210 40.081 38.000 -0.214 0.000 1.241 18 I HN 0.599 nan 8.210 nan 0.000 0.421 19 G N 6.343 114.699 108.800 -0.740 0.000 2.372 19 G HA2 0.583 4.543 3.960 -0.000 0.000 0.283 19 G HA3 0.583 4.543 3.960 -0.000 0.000 0.283 19 G C -0.541 174.016 174.900 -0.571 0.000 1.177 19 G CA -0.268 44.210 45.100 -1.036 0.000 0.842 19 G HN 0.339 nan 8.290 nan 0.000 0.503 20 I N 4.442 124.767 120.570 -0.408 0.000 2.382 20 I HA 0.339 4.509 4.170 -0.000 0.000 0.286 20 I C -2.188 173.784 176.117 -0.242 0.000 1.002 20 I CA -2.810 58.316 61.300 -0.289 0.000 1.135 20 I CB 1.768 39.613 38.000 -0.258 0.000 1.288 20 I HN 0.304 nan 8.210 nan 0.000 0.448 21 P HA 0.286 nan 4.420 nan 0.000 0.281 21 P C 0.584 177.786 177.300 -0.162 0.000 1.281 21 P CA -0.389 62.617 63.100 -0.156 0.000 0.811 21 P CB 1.699 33.335 31.700 -0.106 0.000 1.154 22 E N -0.652 119.442 120.200 -0.177 0.000 2.110 22 E HA -0.158 4.192 4.350 -0.000 0.000 0.193 22 E C 0.041 176.347 176.600 -0.489 0.000 0.988 22 E CA 1.057 57.265 56.400 -0.321 0.000 0.804 22 E CB 0.011 29.507 29.700 -0.340 0.000 0.745 22 E HN 0.456 nan 8.360 nan 0.000 0.458 23 H N -0.120 118.923 119.070 -0.045 0.000 2.708 23 H HA 0.153 4.709 4.556 -0.000 0.000 0.320 23 H C 0.607 175.910 175.328 -0.041 0.000 0.991 23 H CA -0.308 55.719 56.048 -0.035 0.000 1.243 23 H CB 1.625 31.377 29.762 -0.017 0.000 1.446 23 H HN 0.101 nan 8.280 nan 0.000 0.502 24 L N 2.302 123.549 121.223 0.040 0.000 2.201 24 L HA -0.214 4.126 4.340 -0.000 0.000 0.212 24 L C 1.852 178.730 176.870 0.014 0.000 1.105 24 L CA 1.059 55.896 54.840 -0.004 0.000 0.775 24 L CB -0.111 41.928 42.059 -0.032 0.000 0.913 24 L HN 0.555 nan 8.230 nan 0.000 0.440 25 N N -1.353 117.370 118.700 0.038 0.000 2.512 25 N HA -0.188 4.552 4.740 -0.000 0.000 0.183 25 N C 1.563 177.086 175.510 0.023 0.000 1.073 25 N CA 0.671 53.734 53.050 0.021 0.000 0.911 25 N CB -0.322 38.173 38.487 0.014 0.000 0.964 25 N HN 0.279 nan 8.380 nan 0.000 0.447 26 Q N -0.081 119.748 119.800 0.049 0.000 2.369 26 Q HA 0.156 4.496 4.340 -0.000 0.000 0.206 26 Q C 0.355 176.371 176.000 0.027 0.000 0.963 26 Q CA 0.391 56.229 55.803 0.058 0.000 0.894 26 Q CB 0.235 29.044 28.738 0.118 0.000 0.965 26 Q HN 0.502 nan 8.270 nan 0.000 0.475 27 L N 1.333 122.561 121.223 0.008 0.000 2.375 27 L HA 0.167 4.507 4.340 -0.000 0.000 0.268 27 L C 0.626 177.489 176.870 -0.012 0.000 1.058 27 L CA -0.762 54.073 54.840 -0.010 0.000 0.803 27 L CB 0.829 42.872 42.059 -0.027 0.000 1.212 27 L HN -0.064 nan 8.230 nan 0.000 0.451 28 E N 1.679 121.872 120.200 -0.012 0.000 2.452 28 E HA -0.002 4.347 4.350 -0.000 0.000 0.261 28 E C -0.315 176.282 176.600 -0.005 0.000 0.987 28 E CA 0.063 56.458 56.400 -0.008 0.000 0.926 28 E CB 0.289 29.987 29.700 -0.003 0.000 0.934 28 E HN 0.331 nan 8.360 nan 0.000 0.452 29 R N 2.255 122.754 120.500 -0.002 0.000 2.501 29 R HA -0.050 4.290 4.340 -0.000 0.000 0.319 29 R C 0.206 176.510 176.300 0.007 0.000 0.913 29 R CA 0.220 56.321 56.100 0.002 0.000 1.104 29 R CB -0.323 29.981 30.300 0.007 0.000 0.901 29 R HN 0.363 nan 8.270 nan 0.000 0.407 30 I N 2.754 123.327 120.570 0.004 0.000 2.533 30 I HA -0.020 4.150 4.170 -0.000 0.000 0.284 30 I C 0.506 176.645 176.117 0.036 0.000 1.109 30 I CA 0.520 61.827 61.300 0.011 0.000 1.412 30 I CB 0.720 38.711 38.000 -0.014 0.000 1.396 30 I HN 0.605 nan 8.210 nan 0.000 0.543 31 S N 6.540 122.267 115.700 0.046 0.000 2.557 31 S HA 0.635 5.105 4.470 -0.000 0.000 0.291 31 S C -0.921 173.740 174.600 0.102 0.000 1.116 31 S CA -0.794 57.443 58.200 0.060 0.000 0.992 31 S CB 1.883 65.093 63.200 0.017 0.000 1.028 31 S HN 0.405 nan 8.310 nan 0.000 0.484 32 F N 3.302 123.216 119.950 -0.061 0.000 2.495 32 F HA 0.598 5.125 4.527 -0.000 0.000 0.327 32 F C 0.796 176.521 175.800 -0.126 0.000 1.103 32 F CA -0.277 57.652 58.000 -0.117 0.000 0.949 32 F CB 1.099 40.029 39.000 -0.117 0.000 1.142 32 F HN 0.871 nan 8.300 nan 0.000 0.457 33 N N 2.411 120.563 118.700 -0.914 0.000 3.594 33 N HA -0.349 4.390 4.740 -0.000 0.000 0.203 33 N C 0.194 175.426 175.510 -0.464 0.000 0.298 33 N CA 2.591 55.248 53.050 -0.655 0.000 2.288 33 N CB -1.005 37.155 38.487 -0.545 0.000 1.381 33 N HN 0.893 nan 8.380 nan 0.000 0.377 34 H N -1.705 117.258 119.070 -0.178 0.000 3.726 34 H HA 0.485 5.041 4.556 -0.000 0.000 0.262 34 H C -0.730 174.566 175.328 -0.053 0.000 1.181 34 H CA -0.395 55.599 56.048 -0.090 0.000 1.143 34 H CB 0.676 30.393 29.762 -0.074 0.000 1.627 34 H HN 0.147 nan 8.280 nan 0.000 0.750 35 I N 1.975 122.563 120.570 0.030 0.000 2.496 35 I HA 0.001 4.171 4.170 -0.000 0.000 0.285 35 I C 0.428 176.578 176.117 0.055 0.000 1.080 35 I CA -0.074 61.250 61.300 0.040 0.000 1.404 35 I CB 0.507 38.526 38.000 0.032 0.000 1.403 35 I HN 0.202 nan 8.210 nan 0.000 0.539 36 D N 7.282 127.712 120.400 0.050 0.000 2.339 36 D HA 0.127 4.766 4.640 -0.000 0.000 0.256 36 D C 0.668 177.010 176.300 0.070 0.000 1.214 36 D CA -0.078 53.954 54.000 0.052 0.000 0.877 36 D CB 0.817 41.638 40.800 0.035 0.000 1.111 36 D HN 0.555 nan 8.370 nan 0.000 0.478 37 I N 0.698 121.328 120.570 0.101 0.000 3.941 37 I HA 0.092 4.262 4.170 -0.000 0.000 0.335 37 I C 1.292 177.480 176.117 0.118 0.000 1.402 37 I CA -0.503 60.891 61.300 0.157 0.000 1.112 37 I CB 0.320 38.496 38.000 0.294 0.000 1.043 37 I HN 0.040 nan 8.210 nan 0.000 0.395 38 T N 2.170 116.760 114.554 0.060 0.000 2.684 38 T HA -0.203 4.147 4.350 -0.000 0.000 0.267 38 T C 1.673 176.387 174.700 0.024 0.000 1.036 38 T CA 2.465 64.580 62.100 0.025 0.000 1.148 38 T CB -0.306 68.568 68.868 0.011 0.000 0.863 38 T HN 0.735 nan 8.240 nan 0.000 0.436 39 E N 2.118 122.336 120.200 0.029 0.000 2.150 39 E HA -0.115 4.234 4.350 -0.000 0.000 0.193 39 E C 2.276 178.894 176.600 0.031 0.000 0.985 39 E CA 1.477 57.886 56.400 0.016 0.000 0.814 39 E CB -0.433 29.272 29.700 0.008 0.000 0.752 39 E HN 0.599 nan 8.360 nan 0.000 0.466 40 S N 1.147 116.892 115.700 0.074 0.000 2.406 40 S HA -0.036 4.434 4.470 -0.000 0.000 0.228 40 S C 2.070 176.759 174.600 0.148 0.000 1.020 40 S CA 0.574 58.846 58.200 0.120 0.000 0.965 40 S CB -0.499 62.798 63.200 0.162 0.000 0.798 40 S HN 0.246 nan 8.310 nan 0.000 0.488 41 L N 0.977 122.264 121.223 0.108 0.000 2.156 41 L HA 0.035 4.375 4.340 -0.000 0.000 0.208 41 L C 2.939 179.788 176.870 -0.035 0.000 1.095 41 L CA 1.461 56.300 54.840 -0.001 0.000 0.770 41 L CB -0.494 41.519 42.059 -0.076 0.000 0.914 41 L HN 0.322 nan 8.230 nan 0.000 0.439 42 E N 0.566 120.755 120.200 -0.019 0.000 2.106 42 E HA -0.185 4.165 4.350 -0.000 0.000 0.192 42 E C 2.288 178.876 176.600 -0.019 0.000 0.984 42 E CA 1.265 57.646 56.400 -0.031 0.000 0.806 42 E CB 0.093 29.776 29.700 -0.028 0.000 0.750 42 E HN 0.228 nan 8.360 nan 0.000 0.458 43 R N -0.427 120.071 120.500 -0.003 0.000 2.090 43 R HA 0.006 4.346 4.340 -0.000 0.000 0.228 43 R C 2.441 178.756 176.300 0.024 0.000 1.110 43 R CA 1.166 57.274 56.100 0.013 0.000 0.973 43 R CB -0.260 30.049 30.300 0.014 0.000 0.869 43 R HN 0.256 nan 8.270 nan 0.000 0.440 44 L N 0.630 121.858 121.223 0.009 0.000 2.093 44 L HA -0.149 4.191 4.340 -0.000 0.000 0.208 44 L C 2.574 179.386 176.870 -0.097 0.000 1.085 44 L CA 1.249 56.078 54.840 -0.019 0.000 0.755 44 L CB -0.326 41.730 42.059 -0.005 0.000 0.904 44 L HN 0.134 nan 8.230 nan 0.000 0.435 45 K N -0.455 119.872 120.400 -0.122 0.000 2.097 45 K HA -0.241 4.078 4.320 -0.000 0.000 0.205 45 K C 2.189 178.648 176.600 -0.236 0.000 1.050 45 K CA 1.355 57.526 56.287 -0.193 0.000 0.938 45 K CB -0.044 32.356 32.500 -0.166 0.000 0.718 45 K HN 0.252 nan 8.250 nan 0.000 0.442 46 H N 0.336 119.258 119.070 -0.247 0.000 2.423 46 H HA 0.016 4.572 4.556 -0.000 0.000 0.297 46 H C 1.373 176.476 175.328 -0.375 0.000 1.075 46 H CA 1.614 57.488 56.048 -0.291 0.000 1.342 46 H CB 0.328 29.996 29.762 -0.158 0.000 1.395 46 H HN 0.267 nan 8.280 nan 0.000 0.530 47 Q N -0.697 118.984 119.800 -0.198 0.000 2.403 47 Q HA 0.023 4.363 4.340 -0.000 0.000 0.203 47 Q C -0.323 175.621 176.000 -0.093 0.000 0.932 47 Q CA 0.514 56.237 55.803 -0.134 0.000 0.945 47 Q CB 0.297 29.030 28.738 -0.008 0.000 1.045 47 Q HN 0.709 nan 8.270 nan 0.000 0.511 48 H N -2.648 116.366 119.070 -0.093 0.000 2.958 48 H HA -0.207 4.348 4.556 -0.000 0.000 0.274 48 H C 0.764 176.055 175.328 -0.061 0.000 1.184 48 H CA 0.771 56.763 56.048 -0.093 0.000 1.143 48 H CB -1.834 27.891 29.762 -0.061 0.000 1.297 48 H HN 0.301 nan 8.280 nan 0.000 0.356 49 I N 0.056 120.623 120.570 -0.005 0.000 2.406 49 I HA -0.038 4.132 4.170 -0.000 0.000 0.249 49 I C 1.443 177.521 176.117 -0.065 0.000 1.122 49 I CA 1.250 62.559 61.300 0.016 0.000 1.431 49 I CB 0.133 38.145 38.000 0.021 0.000 1.087 49 I HN 0.290 nan 8.210 nan 0.000 0.424 50 I N -2.265 118.133 120.570 -0.287 0.000 3.067 50 I HA 0.881 5.051 4.170 -0.000 0.000 0.312 50 I C -0.097 175.421 176.117 -0.999 0.000 1.073 50 I CA -0.747 60.122 61.300 -0.718 0.000 1.016 50 I CB 1.938 39.685 38.000 -0.422 0.000 1.227 50 I HN -0.111 nan 8.210 nan 0.000 0.456 51 G N 0.661 108.535 108.800 -1.543 0.000 2.721 51 G HA2 0.468 4.427 3.960 -0.000 0.000 0.296 51 G HA3 0.468 4.427 3.960 -0.000 0.000 0.296 51 G C -0.360 174.318 174.900 -0.370 0.000 1.383 51 G CA -0.012 44.608 45.100 -0.800 0.000 0.788 51 G HN 0.875 nan 8.290 nan 0.000 0.500 52 S N -1.363 114.248 115.700 -0.148 0.000 2.603 52 S HA 0.248 4.718 4.470 -0.000 0.000 0.232 52 S C 0.697 175.277 174.600 -0.032 0.000 1.016 52 S CA -0.003 58.134 58.200 -0.105 0.000 0.976 52 S CB 0.072 63.183 63.200 -0.149 0.000 0.921 52 S HN 0.534 nan 8.310 nan 0.000 0.516 53 K N 2.656 123.083 120.400 0.046 0.000 2.491 53 K HA 0.094 4.413 4.320 -0.000 0.000 0.279 53 K C -0.470 176.139 176.600 0.015 0.000 1.026 53 K CA -0.080 56.230 56.287 0.037 0.000 1.070 53 K CB 0.282 32.824 32.500 0.070 0.000 0.887 53 K HN 0.152 nan 8.250 nan 0.000 0.481 54 V N 4.665 124.567 119.914 -0.020 0.000 2.506 54 V HA -0.034 4.085 4.120 -0.000 0.000 0.296 54 V C 1.481 177.566 176.094 -0.015 0.000 1.004 54 V CA 1.460 63.732 62.300 -0.047 0.000 1.150 54 V CB -0.028 31.756 31.823 -0.065 0.000 0.911 54 V HN 1.170 nan 8.190 nan 0.000 0.476 55 G N 3.639 112.424 108.800 -0.024 0.000 2.162 55 G HA2 -0.293 3.666 3.960 -0.000 0.000 0.260 55 G HA3 -0.293 3.666 3.960 -0.000 0.000 0.260 55 G C 0.302 175.280 174.900 0.131 0.000 0.976 55 G CA 0.478 45.625 45.100 0.078 0.000 0.655 55 G HN 0.740 nan 8.290 nan 0.000 0.533 56 K N 0.669 121.072 120.400 0.005 0.000 2.234 56 K HA 0.533 4.853 4.320 -0.000 0.000 0.282 56 K C 0.442 176.912 176.600 -0.216 0.000 1.039 56 K CA -0.866 55.336 56.287 -0.141 0.000 0.928 56 K CB 0.255 32.649 32.500 -0.176 0.000 1.039 56 K HN 0.049 nan 8.250 nan 0.000 0.470 57 I N 5.382 125.734 120.570 -0.364 0.000 2.342 57 I HA 0.178 4.348 4.170 -0.000 0.000 0.291 57 I C -0.590 175.208 176.117 -0.532 0.000 1.010 57 I CA -0.417 60.646 61.300 -0.394 0.000 1.308 57 I CB 0.317 37.994 38.000 -0.539 0.000 1.400 57 I HN 0.556 nan 8.210 nan 0.000 0.488 58 Y N 3.477 123.639 120.300 -0.230 0.000 2.409 58 Y HA 0.519 5.069 4.550 -0.000 0.000 0.343 58 Y C 0.680 176.479 175.900 -0.168 0.000 0.973 58 Y CA -0.792 57.206 58.100 -0.169 0.000 1.064 58 Y CB 2.141 40.528 38.460 -0.122 0.000 1.207 58 Y HN 0.570 nan 8.280 nan 0.000 0.452 59 T N -1.146 113.428 114.554 0.033 0.000 2.893 59 T HA 0.803 5.153 4.350 -0.000 0.000 0.291 59 T C -0.600 174.146 174.700 0.076 0.000 1.028 59 T CA -0.777 61.348 62.100 0.042 0.000 0.995 59 T CB 2.114 71.023 68.868 0.069 0.000 1.051 59 T HN 0.666 nan 8.240 nan 0.000 0.470 60 T N 0.037 114.640 114.554 0.081 0.000 2.840 60 T HA 0.638 4.988 4.350 -0.000 0.000 0.317 60 T C -1.052 173.735 174.700 0.144 0.000 1.401 60 T CA -0.265 61.897 62.100 0.103 0.000 1.028 60 T CB 1.194 70.120 68.868 0.097 0.000 1.317 60 T HN 1.234 nan 8.240 nan 0.000 0.495 61 A N 2.607 125.517 122.820 0.149 0.000 2.450 61 A HA 0.636 4.956 4.320 -0.000 0.000 0.255 61 A C -0.873 176.872 177.584 0.269 0.000 1.096 61 A CA -0.057 52.086 52.037 0.177 0.000 0.778 61 A CB -0.401 18.671 19.000 0.120 0.000 1.031 61 A HN 0.727 nan 8.150 nan 0.000 0.494 62 F N 2.127 122.137 119.950 0.100 0.000 2.579 62 F HA 0.374 4.901 4.527 -0.000 0.000 0.325 62 F C -1.134 174.757 175.800 0.152 0.000 1.162 62 F CA -1.143 56.914 58.000 0.096 0.000 0.946 62 F CB 1.790 40.829 39.000 0.065 0.000 1.211 62 F HN 0.524 nan 8.300 nan 0.000 0.447 63 D N 4.737 124.941 120.400 -0.327 0.000 2.313 63 D HA 0.345 4.984 4.640 -0.000 0.000 0.239 63 D C -0.929 175.127 176.300 -0.406 0.000 1.142 63 D CA 0.375 54.243 54.000 -0.218 0.000 0.847 63 D CB 1.999 42.719 40.800 -0.132 0.000 1.082 63 D HN 0.310 nan 8.370 nan 0.000 0.480 64 V N 4.531 124.387 119.914 -0.098 0.000 2.443 64 V HA 0.264 4.383 4.120 -0.000 0.000 0.293 64 V C 0.012 176.163 176.094 0.097 0.000 1.021 64 V CA -0.063 62.216 62.300 -0.035 0.000 0.848 64 V CB 0.452 32.316 31.823 0.070 0.000 0.998 64 V HN 0.768 nan 8.190 nan 0.000 0.424 65 Q N 3.409 123.231 119.800 0.035 0.000 1.437 65 Q HA -0.268 4.072 4.340 -0.000 0.000 0.341 65 Q C 0.454 176.484 176.000 0.050 0.000 0.937 65 Q CA 1.914 57.745 55.803 0.046 0.000 0.776 65 Q CB -0.931 27.846 28.738 0.066 0.000 3.953 65 Q HN 1.047 nan 8.270 nan 0.000 0.583 66 D N 0.096 120.536 120.400 0.067 0.000 2.271 66 D HA 0.019 4.659 4.640 -0.000 0.000 0.206 66 D C 0.558 176.895 176.300 0.061 0.000 0.967 66 D CA 0.895 54.925 54.000 0.050 0.000 0.867 66 D CB -0.013 40.810 40.800 0.039 0.000 0.960 66 D HN 0.323 nan 8.370 nan 0.000 0.509 67 Q N 0.177 120.042 119.800 0.109 0.000 2.235 67 Q HA 0.338 4.678 4.340 -0.000 0.000 0.250 67 Q C -0.841 175.221 176.000 0.104 0.000 0.909 67 Q CA -0.404 55.438 55.803 0.066 0.000 0.910 67 Q CB 1.083 29.835 28.738 0.023 0.000 1.223 67 Q HN -0.035 nan 8.270 nan 0.000 0.432 68 T N 3.816 118.375 114.554 0.009 0.000 2.771 68 T HA 0.306 4.656 4.350 -0.000 0.000 0.291 68 T C -1.089 173.614 174.700 0.006 0.000 0.954 68 T CA -0.041 62.097 62.100 0.063 0.000 1.045 68 T CB 0.114 69.004 68.868 0.038 0.000 0.917 68 T HN 0.340 nan 8.240 nan 0.000 0.484 69 Y N 1.323 121.705 120.300 0.136 0.000 2.457 69 Y HA 0.459 5.009 4.550 -0.000 0.000 0.333 69 Y C 0.804 176.797 175.900 0.155 0.000 1.119 69 Y CA -1.246 56.951 58.100 0.162 0.000 1.143 69 Y CB 1.267 39.849 38.460 0.203 0.000 1.230 69 Y HN 0.423 nan 8.280 nan 0.000 0.469 70 R N 3.191 123.852 120.500 0.267 0.000 2.220 70 R HA 0.324 4.664 4.340 -0.000 0.000 0.340 70 R C -1.463 174.949 176.300 0.187 0.000 1.076 70 R CA -0.639 55.579 56.100 0.196 0.000 0.920 70 R CB 0.007 30.393 30.300 0.144 0.000 1.062 70 R HN 0.608 nan 8.270 nan 0.000 0.469 71 L N 6.760 128.068 121.223 0.142 0.000 2.276 71 L HA 0.409 4.748 4.340 -0.000 0.000 0.286 71 L C -0.859 176.016 176.870 0.007 0.000 1.061 71 L CA -0.071 54.775 54.840 0.010 0.000 0.807 71 L CB 1.134 43.104 42.059 -0.149 0.000 1.177 71 L HN 0.586 nan 8.230 nan 0.000 0.429 72 I N 4.677 125.246 120.570 -0.002 0.000 2.362 72 I HA 0.324 4.494 4.170 -0.000 0.000 0.289 72 I C -0.155 175.935 176.117 -0.046 0.000 0.994 72 I CA -0.246 61.056 61.300 0.003 0.000 1.158 72 I CB 1.655 39.709 38.000 0.089 0.000 1.315 72 I HN 0.522 nan 8.210 nan 0.000 0.451 73 T N 5.855 120.372 114.554 -0.061 0.000 2.797 73 T HA 0.449 4.799 4.350 -0.000 0.000 0.279 73 T C -0.852 173.829 174.700 -0.032 0.000 0.991 73 T CA -0.404 61.656 62.100 -0.067 0.000 0.979 73 T CB 1.972 70.799 68.868 -0.070 0.000 0.943 73 T HN 0.282 nan 8.240 nan 0.000 0.444 74 V N 3.659 123.525 119.914 -0.080 0.000 2.487 74 V HA 0.805 4.925 4.120 -0.000 0.000 0.298 74 V C 0.444 176.460 176.094 -0.129 0.000 1.028 74 V CA -0.414 61.839 62.300 -0.078 0.000 0.860 74 V CB 1.374 33.150 31.823 -0.078 0.000 0.991 74 V HN 0.975 nan 8.190 nan 0.000 0.427 75 G N 5.142 113.916 108.800 -0.044 0.000 2.441 75 G HA2 0.408 4.367 3.960 -0.000 0.000 0.243 75 G HA3 0.408 4.367 3.960 -0.000 0.000 0.243 75 G C 0.290 175.102 174.900 -0.146 0.000 1.281 75 G CA -0.312 44.745 45.100 -0.073 0.000 0.854 75 G HN 0.866 nan 8.290 nan 0.000 0.560 76 L N 1.783 122.900 121.223 -0.176 0.000 2.701 76 L HA 0.333 4.672 4.340 -0.000 0.000 0.238 76 L C 1.682 178.476 176.870 -0.126 0.000 1.106 76 L CA 0.378 55.108 54.840 -0.183 0.000 0.898 76 L CB -0.509 41.410 42.059 -0.233 0.000 1.188 76 L HN 0.967 nan 8.230 nan 0.000 0.508 77 G N 1.346 110.080 108.800 -0.109 0.000 2.562 77 G HA2 -0.308 3.652 3.960 -0.000 0.000 0.250 77 G HA3 -0.308 3.652 3.960 -0.000 0.000 0.250 77 G C -0.189 174.661 174.900 -0.084 0.000 1.269 77 G CA -0.280 44.767 45.100 -0.088 0.000 0.919 77 G HN 0.243 nan 8.290 nan 0.000 0.574 78 N N 0.847 119.510 118.700 -0.062 0.000 2.442 78 N HA 0.267 5.007 4.740 -0.000 0.000 0.265 78 N C 1.800 177.287 175.510 -0.038 0.000 1.138 78 N CA -0.007 53.021 53.050 -0.036 0.000 0.956 78 N CB 0.830 39.302 38.487 -0.024 0.000 1.067 78 N HN 0.473 nan 8.380 nan 0.000 0.474 79 L N 3.645 124.863 121.223 -0.008 0.000 2.275 79 L HA -0.107 4.233 4.340 -0.000 0.000 0.215 79 L C 2.058 178.896 176.870 -0.052 0.000 1.119 79 L CA 0.951 55.804 54.840 0.021 0.000 0.790 79 L CB -0.051 42.076 42.059 0.114 0.000 0.919 79 L HN 0.518 nan 8.230 nan 0.000 0.443 80 K N -0.291 119.982 120.400 -0.212 0.000 2.057 80 K HA -0.094 4.226 4.320 -0.000 0.000 0.206 80 K C 1.262 177.708 176.600 -0.257 0.000 1.050 80 K CA 1.720 57.711 56.287 -0.494 0.000 0.935 80 K CB -0.207 32.021 32.500 -0.454 0.000 0.715 80 K HN 0.338 nan 8.250 nan 0.000 0.439 81 T N -0.786 113.686 114.554 -0.137 0.000 3.256 81 T HA 0.239 4.588 4.350 -0.000 0.000 0.249 81 T C -0.168 174.503 174.700 -0.048 0.000 0.975 81 T CA -0.642 61.410 62.100 -0.080 0.000 1.011 81 T CB -0.045 68.786 68.868 -0.061 0.000 1.127 81 T HN -0.025 nan 8.240 nan 0.000 0.543 82 R N 2.288 122.766 120.500 -0.038 0.000 2.215 82 R HA 0.440 4.780 4.340 -0.000 0.000 0.337 82 R C 0.288 176.594 176.300 0.009 0.000 1.010 82 R CA -0.245 55.843 56.100 -0.020 0.000 0.871 82 R CB 0.573 30.864 30.300 -0.016 0.000 1.134 82 R HN 0.570 nan 8.270 nan 0.000 0.477 83 S N 2.984 118.689 115.700 0.008 0.000 2.655 83 S HA -0.006 4.464 4.470 -0.000 0.000 0.265 83 S C 0.925 175.572 174.600 0.078 0.000 1.240 83 S CA -0.624 57.607 58.200 0.051 0.000 0.986 83 S CB 0.551 63.779 63.200 0.046 0.000 0.985 83 S HN 0.698 nan 8.310 nan 0.000 0.562 84 Y N 0.519 120.823 120.300 0.006 0.000 2.242 84 Y HA -0.110 4.440 4.550 -0.000 0.000 0.291 84 Y C 2.795 178.695 175.900 -0.000 0.000 1.137 84 Y CA 2.105 60.216 58.100 0.018 0.000 1.181 84 Y CB -0.436 38.039 38.460 0.025 0.000 0.989 84 Y HN 0.880 nan 8.280 nan 0.000 0.527 85 Q N 0.057 119.853 119.800 -0.006 0.000 2.096 85 Q HA -0.230 4.110 4.340 -0.000 0.000 0.204 85 Q C 1.593 177.420 176.000 -0.289 0.000 0.982 85 Q CA 2.034 57.764 55.803 -0.123 0.000 0.850 85 Q CB -0.156 28.581 28.738 -0.002 0.000 0.901 85 Q HN 0.482 nan 8.270 nan 0.000 0.422 86 D N 0.146 120.430 120.400 -0.195 0.000 2.123 86 D HA -0.197 4.443 4.640 -0.000 0.000 0.196 86 D C 1.947 178.090 176.300 -0.261 0.000 0.992 86 D CA 1.444 55.313 54.000 -0.219 0.000 0.833 86 D CB -0.236 40.489 40.800 -0.125 0.000 0.954 86 D HN 0.386 nan 8.370 nan 0.000 0.455 87 M N 0.005 119.475 119.600 -0.216 0.000 2.108 87 M HA -0.129 4.351 4.480 -0.000 0.000 0.261 87 M C 2.337 178.543 176.300 -0.157 0.000 1.066 87 M CA 1.061 56.260 55.300 -0.167 0.000 1.107 87 M CB -0.215 32.348 32.600 -0.062 0.000 1.356 87 M HN -0.003 nan 8.290 nan 0.000 0.406 88 L N -0.281 120.753 121.223 -0.316 0.000 2.093 88 L HA -0.209 4.131 4.340 -0.000 0.000 0.208 88 L C 2.571 179.236 176.870 -0.343 0.000 1.085 88 L CA 1.237 55.933 54.840 -0.239 0.000 0.755 88 L CB -0.643 41.263 42.059 -0.256 0.000 0.904 88 L HN 0.315 nan 8.230 nan 0.000 0.435 89 K N 0.700 120.680 120.400 -0.701 0.000 2.097 89 K HA -0.140 4.180 4.320 -0.000 0.000 0.205 89 K C 2.086 178.405 176.600 -0.470 0.000 1.050 89 K CA 1.134 56.907 56.287 -0.857 0.000 0.938 89 K CB 0.012 32.002 32.500 -0.849 0.000 0.718 89 K HN 0.181 nan 8.250 nan 0.000 0.442 90 I N -0.482 119.887 120.570 -0.336 0.000 2.113 90 I HA -0.275 3.895 4.170 -0.000 0.000 0.238 90 I C 1.960 177.921 176.117 -0.260 0.000 1.070 90 I CA 1.540 62.661 61.300 -0.297 0.000 1.332 90 I CB -0.315 37.445 38.000 -0.399 0.000 1.044 90 I HN 0.310 nan 8.210 nan 0.000 0.402 91 W N 0.677 121.900 121.300 -0.128 0.000 2.388 91 W HA -0.075 4.585 4.660 -0.000 0.000 0.294 91 W C 2.585 179.051 176.519 -0.088 0.000 1.212 91 W CA 0.847 58.068 57.345 -0.205 0.000 1.271 91 W CB -0.857 28.584 29.460 -0.032 0.000 1.126 91 W HN 0.132 nan 8.180 nan 0.000 0.535 92 G N -0.178 108.752 108.800 0.218 0.000 2.480 92 G HA2 -0.297 3.663 3.960 -0.000 0.000 0.216 92 G HA3 -0.297 3.663 3.960 -0.000 0.000 0.216 92 G C 0.948 176.006 174.900 0.264 0.000 1.200 92 G CA 1.438 46.688 45.100 0.249 0.000 0.782 92 G HN 0.392 nan 8.290 nan 0.000 0.554 93 H N -0.692 118.468 119.070 0.150 0.000 2.421 93 H HA -0.013 4.543 4.556 -0.000 0.000 0.298 93 H C 2.436 177.828 175.328 0.105 0.000 1.087 93 H CA 0.625 56.744 56.048 0.118 0.000 1.330 93 H CB 0.085 29.877 29.762 0.050 0.000 1.388 93 H HN 0.282 nan 8.280 nan 0.000 0.526 94 L N 0.206 121.511 121.223 0.136 0.000 1.976 94 L HA -0.167 4.172 4.340 -0.000 0.000 0.209 94 L C 1.635 178.587 176.870 0.136 0.000 1.071 94 L CA 1.612 56.473 54.840 0.035 0.000 0.746 94 L CB -0.625 41.319 42.059 -0.192 0.000 0.890 94 L HN 0.075 nan 8.230 nan 0.000 0.432 95 F N -0.064 120.045 119.950 0.265 0.000 2.216 95 F HA -0.158 4.369 4.527 -0.000 0.000 0.300 95 F C 2.620 178.528 175.800 0.180 0.000 1.085 95 F CA 1.208 59.329 58.000 0.202 0.000 1.326 95 F CB -0.989 38.117 39.000 0.177 0.000 1.027 95 F HN 0.259 nan 8.300 nan 0.000 0.497 96 Q N -1.392 118.633 119.800 0.375 0.000 2.079 96 Q HA -0.241 4.099 4.340 -0.000 0.000 0.200 96 Q C 2.082 178.234 176.000 0.253 0.000 0.974 96 Q CA 1.711 57.684 55.803 0.285 0.000 0.840 96 Q CB -0.497 28.412 28.738 0.285 0.000 0.898 96 Q HN 0.513 nan 8.270 nan 0.000 0.430 97 Y N 0.982 121.374 120.300 0.153 0.000 2.200 97 Y HA -0.231 4.319 4.550 -0.000 0.000 0.290 97 Y C 1.898 177.877 175.900 0.132 0.000 1.137 97 Y CA 1.079 59.245 58.100 0.111 0.000 1.163 97 Y CB -0.018 38.486 38.460 0.073 0.000 0.988 97 Y HN 0.043 nan 8.280 nan 0.000 0.518 98 I N 0.523 121.232 120.570 0.231 0.000 2.163 98 I HA -0.306 3.864 4.170 -0.000 0.000 0.243 98 I C 2.205 178.403 176.117 0.135 0.000 1.085 98 I CA 1.549 62.952 61.300 0.172 0.000 1.347 98 I CB -1.202 36.961 38.000 0.272 0.000 1.044 98 I HN 0.239 nan 8.210 nan 0.000 0.408 99 K N 0.834 121.336 120.400 0.169 0.000 2.062 99 K HA -0.052 4.268 4.320 -0.000 0.000 0.205 99 K C 2.230 178.968 176.600 0.230 0.000 1.051 99 K CA 1.569 57.989 56.287 0.221 0.000 0.941 99 K CB -0.485 32.083 32.500 0.113 0.000 0.719 99 K HN 0.461 nan 8.250 nan 0.000 0.440 100 S N 1.011 116.765 115.700 0.091 0.000 2.447 100 S HA -0.048 4.422 4.470 -0.000 0.000 0.233 100 S C 1.418 175.990 174.600 -0.047 0.000 1.006 100 S CA 0.777 58.997 58.200 0.034 0.000 0.957 100 S CB 0.016 63.217 63.200 0.002 0.000 0.773 100 S HN 0.157 nan 8.310 nan 0.000 0.507 101 E N 0.404 120.515 120.200 -0.147 0.000 2.479 101 E HA 0.065 4.415 4.350 -0.000 0.000 0.193 101 E C -0.150 176.428 176.600 -0.037 0.000 1.049 101 E CA 0.077 56.365 56.400 -0.186 0.000 0.870 101 E CB -0.443 29.002 29.700 -0.425 0.000 0.944 101 E HN 0.802 nan 8.360 nan 0.000 0.492 102 H N -0.160 118.842 119.070 -0.113 0.000 2.713 102 H HA -0.179 4.376 4.556 -0.000 0.000 0.311 102 H C -0.555 174.631 175.328 -0.238 0.000 1.175 102 H CA 0.190 56.037 56.048 -0.335 0.000 1.143 102 H CB -1.894 27.592 29.762 -0.461 0.000 1.434 102 H HN 0.120 nan 8.280 nan 0.000 0.418 103 I N 0.849 121.395 120.570 -0.040 0.000 2.416 103 I HA 0.030 4.200 4.170 -0.000 0.000 0.288 103 I C 1.391 177.524 176.117 0.027 0.000 1.051 103 I CA 0.422 61.720 61.300 -0.004 0.000 1.375 103 I CB 1.139 39.168 38.000 0.048 0.000 1.407 103 I HN 0.449 nan 8.210 nan 0.000 0.516 104 E N 3.346 123.531 120.200 -0.025 0.000 2.372 104 E HA 0.109 4.458 4.350 -0.000 0.000 0.201 104 E C -0.514 176.079 176.600 -0.011 0.000 0.938 104 E CA 0.335 56.735 56.400 0.001 0.000 0.944 104 E CB 0.661 30.336 29.700 -0.042 0.000 0.937 104 E HN 0.572 nan 8.360 nan 0.000 0.495 105 D N 0.432 120.815 120.400 -0.029 0.000 2.788 105 D HA 0.225 4.865 4.640 -0.000 0.000 0.247 105 D C -0.992 175.259 176.300 -0.082 0.000 1.236 105 D CA 0.027 53.988 54.000 -0.065 0.000 0.898 105 D CB 2.371 43.126 40.800 -0.076 0.000 1.401 105 D HN -0.104 nan 8.370 nan 0.000 0.549 106 T N 1.042 115.531 114.554 -0.108 0.000 2.889 106 T HA 0.408 4.758 4.350 -0.000 0.000 0.315 106 T C -1.527 173.107 174.700 -0.109 0.000 1.291 106 T CA -0.478 61.570 62.100 -0.087 0.000 1.028 106 T CB 0.776 69.665 68.868 0.035 0.000 1.235 106 T HN 0.096 nan 8.240 nan 0.000 0.491 107 Y N 2.160 122.524 120.300 0.106 0.000 2.301 107 Y HA 0.695 5.245 4.550 -0.000 0.000 0.325 107 Y C 0.098 176.047 175.900 0.082 0.000 1.203 107 Y CA -1.081 57.081 58.100 0.103 0.000 1.255 107 Y CB 1.120 39.639 38.460 0.099 0.000 1.232 107 Y HN 0.423 nan 8.280 nan 0.000 0.501 108 L N 4.030 125.428 121.223 0.292 0.000 2.406 108 L HA 0.457 4.797 4.340 -0.000 0.000 0.270 108 L C -1.649 175.369 176.870 0.246 0.000 0.982 108 L CA -0.911 54.073 54.840 0.240 0.000 0.843 108 L CB 1.027 43.215 42.059 0.216 0.000 1.225 108 L HN 0.458 nan 8.230 nan 0.000 0.412 109 L N 5.918 127.285 121.223 0.239 0.000 2.404 109 L HA 0.199 4.538 4.340 -0.000 0.000 0.277 109 L C 1.351 178.418 176.870 0.327 0.000 1.184 109 L CA 0.283 55.254 54.840 0.219 0.000 1.013 109 L CB 0.602 42.735 42.059 0.124 0.000 1.318 109 L HN 0.803 nan 8.230 nan 0.000 0.435 110 M N 0.639 120.414 119.600 0.291 0.000 2.279 110 M HA -0.136 4.344 4.480 -0.000 0.000 0.264 110 M C 1.359 177.855 176.300 0.326 0.000 1.062 110 M CA 1.452 56.953 55.300 0.334 0.000 1.099 110 M CB -0.261 32.471 32.600 0.219 0.000 1.394 110 M HN 0.471 nan 8.290 nan 0.000 0.426 111 D N -0.707 119.819 120.400 0.209 0.000 2.263 111 D HA -0.095 4.545 4.640 -0.000 0.000 0.208 111 D C 2.015 178.381 176.300 0.109 0.000 0.971 111 D CA 1.535 55.617 54.000 0.137 0.000 0.867 111 D CB -0.325 40.525 40.800 0.084 0.000 0.929 111 D HN 0.574 nan 8.370 nan 0.000 0.492 112 S N -0.941 114.823 115.700 0.106 0.000 2.522 112 S HA -0.024 4.445 4.470 -0.000 0.000 0.227 112 S C 1.579 176.059 174.600 -0.200 0.000 0.986 112 S CA 0.113 58.270 58.200 -0.072 0.000 0.929 112 S CB -0.394 62.702 63.200 -0.174 0.000 0.769 112 S HN 0.116 nan 8.310 nan 0.000 0.529 113 F N 1.255 121.201 119.950 -0.007 0.000 2.656 113 F HA 0.504 5.030 4.527 -0.000 0.000 0.291 113 F C 0.671 176.485 175.800 0.024 0.000 1.122 113 F CA -0.465 57.517 58.000 -0.030 0.000 1.427 113 F CB 0.128 39.138 39.000 0.017 0.000 1.125 113 F HN 0.104 nan 8.300 nan 0.000 0.583 114 I N 0.527 121.220 120.570 0.205 0.000 2.331 114 I HA 0.238 4.408 4.170 -0.000 0.000 0.292 114 I C 0.378 176.536 176.117 0.068 0.000 0.998 114 I CA -0.436 60.945 61.300 0.136 0.000 1.267 114 I CB 1.050 39.123 38.000 0.122 0.000 1.386 114 I HN -0.057 nan 8.210 nan 0.000 0.476 115 S N 4.778 120.513 115.700 0.059 0.000 2.766 115 S HA 0.443 4.912 4.470 -0.000 0.000 0.307 115 S C 0.607 175.192 174.600 -0.025 0.000 1.121 115 S CA -0.894 57.324 58.200 0.030 0.000 0.980 115 S CB 1.591 64.849 63.200 0.096 0.000 1.159 115 S HN 0.735 nan 8.310 nan 0.000 0.546 116 K N -0.754 119.560 120.400 -0.143 0.000 2.459 116 K HA 0.066 4.385 4.320 -0.000 0.000 0.193 116 K C 0.537 176.961 176.600 -0.293 0.000 1.030 116 K CA 0.690 56.824 56.287 -0.255 0.000 1.026 116 K CB -0.414 31.860 32.500 -0.378 0.000 0.809 116 K HN 0.619 nan 8.250 nan 0.000 0.504 117 Y N 1.785 122.089 120.300 0.007 0.000 2.436 117 Y HA 0.149 4.699 4.550 -0.000 0.000 0.288 117 Y C 0.486 176.393 175.900 0.011 0.000 1.112 117 Y CA -0.198 57.907 58.100 0.008 0.000 1.220 117 Y CB 0.282 38.747 38.460 0.008 0.000 1.073 117 Y HN 0.041 nan 8.280 nan 0.000 0.552 118 D N 0.224 120.715 120.400 0.152 0.000 2.277 118 D HA 0.131 4.771 4.640 -0.000 0.000 0.250 118 D C -0.584 175.746 176.300 0.050 0.000 1.032 118 D CA -0.482 53.579 54.000 0.102 0.000 0.947 118 D CB 1.270 42.135 40.800 0.108 0.000 1.159 118 D HN 0.062 nan 8.370 nan 0.000 0.460 119 Q N 0.847 120.665 119.800 0.030 0.000 2.286 119 Q HA 0.115 4.455 4.340 -0.000 0.000 0.257 119 Q C 0.982 176.951 176.000 -0.051 0.000 0.941 119 Q CA -0.436 55.354 55.803 -0.022 0.000 0.912 119 Q CB 1.268 29.983 28.738 -0.039 0.000 1.192 119 Q HN 0.370 nan 8.270 nan 0.000 0.410 120 L N 3.243 124.409 121.223 -0.094 0.000 2.043 120 L HA -0.274 4.065 4.340 -0.000 0.000 0.212 120 L C 1.963 178.678 176.870 -0.258 0.000 1.075 120 L CA 2.629 57.393 54.840 -0.127 0.000 0.752 120 L CB -0.489 41.489 42.059 -0.134 0.000 0.891 120 L HN 0.877 nan 8.230 nan 0.000 0.432 121 S N -1.665 113.756 115.700 -0.464 0.000 2.382 121 S HA -0.180 4.290 4.470 -0.000 0.000 0.228 121 S C 1.674 176.129 174.600 -0.242 0.000 1.027 121 S CA 1.154 58.927 58.200 -0.711 0.000 0.991 121 S CB -0.759 61.941 63.200 -0.834 0.000 0.823 121 S HN 0.514 nan 8.310 nan 0.000 0.469 122 D N 1.493 121.842 120.400 -0.085 0.000 2.144 122 D HA 0.017 4.657 4.640 -0.000 0.000 0.200 122 D C 2.106 178.506 176.300 0.167 0.000 0.978 122 D CA 0.816 54.869 54.000 0.087 0.000 0.833 122 D CB -0.490 40.386 40.800 0.127 0.000 0.961 122 D HN 0.354 nan 8.370 nan 0.000 0.470 123 V N 0.872 120.864 119.914 0.130 0.000 2.307 123 V HA -0.164 3.956 4.120 -0.000 0.000 0.245 123 V C 2.525 178.708 176.094 0.150 0.000 1.045 123 V CA 1.099 63.549 62.300 0.251 0.000 1.024 123 V CB -0.422 31.561 31.823 0.267 0.000 0.651 123 V HN 0.188 nan 8.190 nan 0.000 0.449 124 L N -1.269 119.953 121.223 -0.002 0.000 2.217 124 L HA -0.136 4.203 4.340 -0.000 0.000 0.211 124 L C 2.423 179.208 176.870 -0.141 0.000 1.107 124 L CA 1.179 55.944 54.840 -0.126 0.000 0.783 124 L CB -0.489 41.526 42.059 -0.073 0.000 0.919 124 L HN 0.348 nan 8.230 nan 0.000 0.442 125 M N 0.399 119.986 119.600 -0.021 0.000 2.067 125 M HA -0.138 4.342 4.480 -0.000 0.000 0.260 125 M C 2.388 178.691 176.300 0.004 0.000 1.069 125 M CA 2.158 57.477 55.300 0.032 0.000 1.117 125 M CB -0.402 32.269 32.600 0.119 0.000 1.334 125 M HN 0.177 nan 8.290 nan 0.000 0.407 126 A N -0.960 121.894 122.820 0.057 0.000 1.908 126 A HA -0.234 4.086 4.320 -0.000 0.000 0.218 126 A C 2.479 179.940 177.584 -0.204 0.000 1.181 126 A CA 1.919 53.970 52.037 0.022 0.000 0.627 126 A CB -1.789 17.279 19.000 0.114 0.000 0.818 126 A HN 0.754 nan 8.150 nan 0.000 0.445 127 C N -0.669 118.215 119.300 -0.694 0.000 2.413 127 C HA -0.027 4.433 4.460 -0.000 0.000 0.276 127 C C 2.955 177.673 174.990 -0.454 0.000 1.236 127 C CA 1.345 59.653 59.018 -1.184 0.000 1.735 127 C CB -1.579 25.233 27.740 -1.547 0.000 2.031 127 C HN 0.621 nan 8.230 nan 0.000 0.474 128 G N 0.194 108.759 108.800 -0.392 0.000 2.404 128 G HA2 -0.120 3.840 3.960 -0.000 0.000 0.215 128 G HA3 -0.120 3.840 3.960 -0.000 0.000 0.215 128 G C 1.521 176.330 174.900 -0.152 0.000 1.174 128 G CA 1.160 46.076 45.100 -0.308 0.000 0.780 128 G HN 0.593 nan 8.290 nan 0.000 0.537 129 I N 0.313 120.836 120.570 -0.077 0.000 2.142 129 I HA -0.180 3.989 4.170 -0.000 0.000 0.240 129 I C 2.917 179.048 176.117 0.023 0.000 1.078 129 I CA 1.040 62.335 61.300 -0.008 0.000 1.343 129 I CB -0.192 37.834 38.000 0.043 0.000 1.046 129 I HN 0.104 nan 8.210 nan 0.000 0.405 130 Q N 0.498 120.346 119.800 0.081 0.000 2.291 130 Q HA -0.129 4.211 4.340 -0.000 0.000 0.205 130 Q C 2.402 178.498 176.000 0.161 0.000 0.970 130 Q CA 1.686 57.616 55.803 0.211 0.000 0.876 130 Q CB -0.489 28.484 28.738 0.392 0.000 0.935 130 Q HN 0.645 nan 8.270 nan 0.000 0.455 131 S N 0.011 115.628 115.700 -0.139 0.000 2.442 131 S HA -0.097 4.373 4.470 -0.000 0.000 0.236 131 S C 1.495 175.959 174.600 -0.227 0.000 1.007 131 S CA 0.868 58.722 58.200 -0.577 0.000 0.965 131 S CB 0.144 62.969 63.200 -0.624 0.000 0.773 131 S HN 0.229 nan 8.310 nan 0.000 0.504 132 E N 0.819 120.973 120.200 -0.076 0.000 2.306 132 E HA 0.187 4.537 4.350 -0.000 0.000 0.201 132 E C 2.172 178.812 176.600 0.066 0.000 0.874 132 E CA 0.148 56.543 56.400 -0.008 0.000 0.972 132 E CB -0.299 29.398 29.700 -0.005 0.000 0.957 132 E HN 0.546 nan 8.360 nan 0.000 0.492 133 R N 1.103 121.642 120.500 0.065 0.000 2.075 133 R HA 0.018 4.357 4.340 -0.000 0.000 0.232 133 R C 2.117 178.502 176.300 0.142 0.000 1.126 133 R CA 1.377 57.525 56.100 0.079 0.000 0.963 133 R CB -0.081 30.252 30.300 0.055 0.000 0.858 133 R HN 0.083 nan 8.270 nan 0.000 0.435 134 A N -0.147 122.776 122.820 0.173 0.000 2.014 134 A HA -0.081 4.239 4.320 -0.000 0.000 0.218 134 A C 1.834 179.543 177.584 0.209 0.000 1.163 134 A CA 1.577 53.742 52.037 0.213 0.000 0.652 134 A CB -0.369 18.802 19.000 0.284 0.000 0.808 134 A HN 0.573 nan 8.150 nan 0.000 0.449 135 T N -4.262 110.399 114.554 0.178 0.000 3.122 135 T HA 0.198 4.548 4.350 -0.000 0.000 0.250 135 T C 0.320 175.095 174.700 0.125 0.000 1.067 135 T CA -0.407 61.772 62.100 0.132 0.000 0.966 135 T CB -0.643 68.260 68.868 0.058 0.000 1.002 135 T HN 0.297 nan 8.240 nan 0.000 0.542 136 Y N 3.746 124.078 120.300 0.054 0.000 2.610 136 Y HA 0.312 4.862 4.550 -0.000 0.000 0.332 136 Y C 0.220 176.172 175.900 0.087 0.000 1.201 136 Y CA -0.597 57.540 58.100 0.062 0.000 1.465 136 Y CB 0.446 38.946 38.460 0.067 0.000 1.283 136 Y HN 0.503 nan 8.280 nan 0.000 0.563 137 E N 5.475 125.301 120.200 -0.623 0.000 2.343 137 E HA 0.282 4.632 4.350 -0.000 0.000 0.278 137 E C -2.122 174.166 176.600 -0.521 0.000 0.910 137 E CA -0.884 55.239 56.400 -0.462 0.000 0.757 137 E CB 1.415 31.014 29.700 -0.167 0.000 1.218 137 E HN 0.562 nan 8.360 nan 0.000 0.435 138 F N 3.752 123.489 119.950 -0.355 0.000 2.319 138 F HA 0.259 4.786 4.527 -0.000 0.000 0.356 138 F C -0.415 175.433 175.800 0.079 0.000 1.100 138 F CA -0.718 57.255 58.000 -0.046 0.000 1.220 138 F CB 0.733 39.779 39.000 0.076 0.000 1.506 138 F HN 0.520 nan 8.300 nan 0.000 0.512 139 D N 0.352 120.639 120.400 -0.188 0.000 2.559 139 D HA 0.030 4.670 4.640 -0.000 0.000 0.234 139 D C 0.911 177.022 176.300 -0.315 0.000 1.226 139 D CA 0.006 53.899 54.000 -0.178 0.000 0.830 139 D CB -0.739 39.963 40.800 -0.162 0.000 1.028 139 D HN 0.463 nan 8.370 nan 0.000 0.492 140 H N -0.533 118.210 119.070 -0.544 0.000 2.491 140 H HA 0.021 4.577 4.556 -0.000 0.000 0.290 140 H C 0.364 175.350 175.328 -0.569 0.000 1.050 140 H CA 1.194 56.877 56.048 -0.609 0.000 1.309 140 H CB -0.109 29.123 29.762 -0.883 0.000 1.392 140 H HN 0.238 nan 8.280 nan 0.000 0.554 141 Y N 0.141 120.393 120.300 -0.079 0.000 2.507 141 Y HA 0.193 4.742 4.550 -0.000 0.000 0.254 141 Y C 0.350 176.240 175.900 -0.016 0.000 1.171 141 Y CA -0.374 57.718 58.100 -0.014 0.000 1.238 141 Y CB 0.553 39.042 38.460 0.049 0.000 1.148 141 Y HN -0.128 nan 8.280 nan 0.000 0.525 142 K N 0.102 120.530 120.400 0.047 0.000 2.205 142 K HA 0.238 4.558 4.320 -0.000 0.000 0.279 142 K C 0.804 177.393 176.600 -0.020 0.000 1.027 142 K CA -0.026 56.273 56.287 0.020 0.000 0.932 142 K CB 1.877 34.375 32.500 -0.003 0.000 1.032 142 K HN 0.026 nan 8.250 nan 0.000 0.466 143 S N 0.798 116.495 115.700 -0.005 0.000 2.406 143 S HA -0.098 4.372 4.470 -0.000 0.000 0.228 143 S C 1.195 175.777 174.600 -0.030 0.000 1.020 143 S CA 0.988 59.177 58.200 -0.019 0.000 0.965 143 S CB 0.065 63.262 63.200 -0.006 0.000 0.798 143 S HN 0.713 nan 8.310 nan 0.000 0.488 144 S N 2.292 117.977 115.700 -0.025 0.000 2.704 144 S HA 0.234 4.704 4.470 -0.000 0.000 0.241 144 S C -0.146 174.430 174.600 -0.040 0.000 1.264 144 S CA -0.880 57.302 58.200 -0.029 0.000 1.236 144 S CB -0.677 62.512 63.200 -0.019 0.000 0.928 144 S HN 0.461 nan 8.310 nan 0.000 0.492 145 K N 1.682 122.046 120.400 -0.061 0.000 2.297 145 K HA 0.298 4.618 4.320 -0.000 0.000 0.286 145 K C 0.005 176.565 176.600 -0.067 0.000 1.053 145 K CA -0.804 55.433 56.287 -0.083 0.000 0.940 145 K CB 0.708 33.122 32.500 -0.145 0.000 1.019 145 K HN 0.415 nan 8.250 nan 0.000 0.475 146 K N 1.708 122.082 120.400 -0.043 0.000 2.237 146 K HA 0.301 4.621 4.320 -0.000 0.000 0.270 146 K C -0.283 176.320 176.600 0.004 0.000 1.015 146 K CA -0.679 55.602 56.287 -0.010 0.000 0.949 146 K CB 0.901 33.417 32.500 0.028 0.000 0.976 146 K HN 0.631 nan 8.250 nan 0.000 0.472 147 A N 3.671 126.509 122.820 0.031 0.000 2.488 147 A HA 0.217 4.537 4.320 -0.000 0.000 0.249 147 A C -1.792 175.869 177.584 0.129 0.000 1.083 147 A CA -1.234 50.831 52.037 0.045 0.000 0.768 147 A CB -0.645 18.381 19.000 0.044 0.000 1.017 147 A HN 0.703 nan 8.150 nan 0.000 0.496 148 P HA 0.400 nan 4.420 nan 0.000 0.271 148 P C -0.928 176.436 177.300 0.107 0.000 1.216 148 P CA 0.243 63.358 63.100 0.026 0.000 0.771 148 P CB 0.332 31.990 31.700 -0.069 0.000 0.864 149 F N 0.069 119.979 119.950 -0.067 0.000 2.588 149 F HA 0.654 5.181 4.527 -0.000 0.000 0.314 149 F C -0.532 175.198 175.800 -0.117 0.000 1.069 149 F CA -1.420 56.521 58.000 -0.100 0.000 0.931 149 F CB 1.575 40.470 39.000 -0.175 0.000 1.260 149 F HN -0.070 nan 8.300 nan 0.000 0.465 150 K N 1.917 122.308 120.400 -0.015 0.000 2.183 150 K HA 0.381 4.701 4.320 -0.000 0.000 0.274 150 K C -0.888 175.696 176.600 -0.028 0.000 1.009 150 K CA -0.503 55.723 56.287 -0.102 0.000 0.888 150 K CB 1.800 34.267 32.500 -0.054 0.000 1.078 150 K HN 0.806 nan 8.250 nan 0.000 0.459 151 T N 3.173 117.655 114.554 -0.120 0.000 2.743 151 T HA 0.213 4.563 4.350 -0.000 0.000 0.292 151 T C -0.011 174.617 174.700 -0.119 0.000 0.972 151 T CA -0.733 61.330 62.100 -0.062 0.000 0.967 151 T CB 0.234 69.064 68.868 -0.064 0.000 0.926 151 T HN 0.244 nan 8.240 nan 0.000 0.459 152 N N 4.129 122.782 118.700 -0.079 0.000 2.401 152 N HA 0.210 4.950 4.740 -0.000 0.000 0.255 152 N C -0.671 174.773 175.510 -0.110 0.000 1.110 152 N CA -0.176 52.818 53.050 -0.093 0.000 0.949 152 N CB 0.883 39.338 38.487 -0.054 0.000 1.110 152 N HN 0.527 nan 8.380 nan 0.000 0.490 153 L N 2.801 123.918 121.223 -0.177 0.000 2.259 153 L HA 0.264 4.604 4.340 -0.000 0.000 0.288 153 L C 0.433 177.289 176.870 -0.024 0.000 1.051 153 L CA -0.444 54.310 54.840 -0.145 0.000 0.824 153 L CB 0.506 42.349 42.059 -0.360 0.000 1.206 153 L HN 0.244 nan 8.230 nan 0.000 0.429 154 N N 5.977 124.707 118.700 0.049 0.000 2.482 154 N HA 0.256 4.996 4.740 -0.000 0.000 0.242 154 N C -0.579 175.081 175.510 0.251 0.000 1.100 154 N CA -0.276 52.870 53.050 0.160 0.000 0.946 154 N CB 1.053 39.656 38.487 0.193 0.000 1.227 154 N HN 0.437 nan 8.380 nan 0.000 0.508 155 L N 3.282 124.631 121.223 0.210 0.000 2.410 155 L HA 0.350 4.690 4.340 -0.000 0.000 0.273 155 L C 0.422 177.411 176.870 0.197 0.000 1.152 155 L CA 0.010 54.977 54.840 0.212 0.000 0.855 155 L CB 0.450 42.628 42.059 0.198 0.000 1.129 155 L HN 0.283 nan 8.230 nan 0.000 0.463 156 I N 2.871 123.557 120.570 0.194 0.000 2.382 156 I HA 0.293 4.463 4.170 -0.000 0.000 0.286 156 I C -0.075 176.115 176.117 0.120 0.000 1.002 156 I CA 0.079 61.465 61.300 0.144 0.000 1.135 156 I CB 1.807 39.891 38.000 0.141 0.000 1.288 156 I HN 0.539 nan 8.210 nan 0.000 0.448 157 S N 3.898 119.651 115.700 0.088 0.000 2.547 157 S HA 0.294 4.764 4.470 -0.000 0.000 0.281 157 S C 0.446 175.071 174.600 0.043 0.000 1.118 157 S CA -0.535 57.710 58.200 0.075 0.000 0.947 157 S CB 1.952 65.203 63.200 0.086 0.000 1.053 157 S HN 0.746 nan 8.310 nan 0.000 0.482 158 E N 1.712 121.931 120.200 0.031 0.000 2.216 158 E HA 0.049 4.399 4.350 -0.000 0.000 0.192 158 E C 0.023 176.636 176.600 0.021 0.000 0.988 158 E CA 0.642 57.049 56.400 0.012 0.000 0.834 158 E CB 0.275 29.977 29.700 0.005 0.000 0.772 158 E HN 0.593 nan 8.360 nan 0.000 0.479 159 S N 0.534 116.252 115.700 0.031 0.000 2.440 159 S HA 0.371 4.841 4.470 -0.000 0.000 0.142 159 S C -0.877 173.747 174.600 0.039 0.000 1.578 159 S CA -0.917 57.301 58.200 0.031 0.000 1.260 159 S CB 0.747 63.961 63.200 0.024 0.000 1.407 159 S HN 0.077 nan 8.310 nan 0.000 0.392 160 L N 2.426 123.676 121.223 0.045 0.000 2.513 160 L HA 0.604 4.943 4.340 -0.000 0.000 0.261 160 L C -1.226 175.675 176.870 0.051 0.000 0.945 160 L CA -0.585 54.287 54.840 0.052 0.000 0.848 160 L CB 2.009 44.105 42.059 0.062 0.000 1.334 160 L HN 0.538 nan 8.230 nan 0.000 0.407 161 I N 1.863 122.465 120.570 0.052 0.000 4.193 161 I HA 0.085 4.255 4.170 -0.000 0.000 0.287 161 I C 0.538 176.681 176.117 0.044 0.000 1.175 161 I CA 0.037 61.365 61.300 0.046 0.000 1.320 161 I CB 0.365 38.389 38.000 0.041 0.000 1.523 161 I HN 0.619 nan 8.210 nan 0.000 0.450 162 E N 2.637 122.870 120.200 0.056 0.000 2.316 162 E HA 0.182 4.531 4.350 -0.000 0.000 0.275 162 E C 0.074 176.695 176.600 0.035 0.000 1.029 162 E CA -0.058 56.369 56.400 0.046 0.000 0.871 162 E CB 1.549 31.291 29.700 0.069 0.000 1.022 162 E HN 0.157 nan 8.360 nan 0.000 0.418 163 L N 2.885 124.090 121.223 -0.030 0.000 2.959 163 L HA 0.148 4.488 4.340 -0.000 0.000 0.259 163 L C 0.575 177.302 176.870 -0.238 0.000 1.185 163 L CA 0.284 55.043 54.840 -0.136 0.000 0.998 163 L CB 0.410 42.375 42.059 -0.156 0.000 1.337 163 L HN 0.564 nan 8.230 nan 0.000 0.555 164 D N -0.664 119.641 120.400 -0.159 0.000 2.224 164 D HA -0.112 4.528 4.640 -0.000 0.000 0.205 164 D C 1.756 177.893 176.300 -0.272 0.000 0.965 164 D CA 1.256 55.132 54.000 -0.207 0.000 0.852 164 D CB 0.068 40.696 40.800 -0.286 0.000 0.947 164 D HN 0.306 nan 8.370 nan 0.000 0.494 165 F N 0.695 120.568 119.950 -0.128 0.000 2.293 165 F HA 0.026 4.553 4.527 -0.000 0.000 0.300 165 F C 2.287 177.964 175.800 -0.205 0.000 1.086 165 F CA 0.417 58.340 58.000 -0.127 0.000 1.375 165 F CB -0.287 38.654 39.000 -0.098 0.000 1.045 165 F HN -0.056 nan 8.300 nan 0.000 0.516 166 I N -1.123 119.333 120.570 -0.190 0.000 2.277 166 I HA -0.238 3.932 4.170 -0.000 0.000 0.243 166 I C 2.360 178.258 176.117 -0.365 0.000 1.094 166 I CA 0.879 61.915 61.300 -0.440 0.000 1.393 166 I CB -0.566 36.934 38.000 -0.832 0.000 1.078 166 I HN 0.094 nan 8.210 nan 0.000 0.417 167 H N 0.549 119.473 119.070 -0.243 0.000 2.456 167 H HA -0.175 4.381 4.556 -0.000 0.000 0.296 167 H C 2.009 177.259 175.328 -0.130 0.000 1.079 167 H CA 1.333 57.275 56.048 -0.176 0.000 1.322 167 H CB -0.241 29.440 29.762 -0.135 0.000 1.388 167 H HN 0.463 nan 8.280 nan 0.000 0.538 168 E N 0.186 120.379 120.200 -0.012 0.000 2.072 168 E HA -0.090 4.260 4.350 -0.000 0.000 0.191 168 E C 2.466 179.055 176.600 -0.019 0.000 0.985 168 E CA 0.817 57.204 56.400 -0.022 0.000 0.801 168 E CB -0.118 29.563 29.700 -0.032 0.000 0.750 168 E HN 0.461 nan 8.360 nan 0.000 0.452 169 G N 1.041 109.816 108.800 -0.041 0.000 2.408 169 G HA2 -0.211 3.749 3.960 -0.000 0.000 0.217 169 G HA3 -0.211 3.749 3.960 -0.000 0.000 0.217 169 G C 1.565 176.434 174.900 -0.052 0.000 1.150 169 G CA 0.681 45.753 45.100 -0.046 0.000 0.776 169 G HN 0.224 nan 8.290 nan 0.000 0.542 170 I N 1.868 122.397 120.570 -0.069 0.000 2.163 170 I HA -0.229 3.941 4.170 -0.000 0.000 0.243 170 I C 3.178 179.285 176.117 -0.018 0.000 1.085 170 I CA 1.641 62.917 61.300 -0.040 0.000 1.347 170 I CB -0.206 37.790 38.000 -0.007 0.000 1.044 170 I HN 0.328 nan 8.210 nan 0.000 0.408 171 S N 0.827 116.519 115.700 -0.013 0.000 2.402 171 S HA -0.090 4.380 4.470 -0.000 0.000 0.229 171 S C 1.961 176.555 174.600 -0.010 0.000 1.021 171 S CA 0.804 58.998 58.200 -0.010 0.000 0.974 171 S CB -0.739 62.453 63.200 -0.014 0.000 0.800 171 S HN 0.402 nan 8.310 nan 0.000 0.484 172 I N 2.250 122.813 120.570 -0.012 0.000 2.202 172 I HA -0.028 4.142 4.170 -0.000 0.000 0.242 172 I C 2.952 179.060 176.117 -0.016 0.000 1.091 172 I CA 1.141 62.433 61.300 -0.013 0.000 1.368 172 I CB -1.049 36.947 38.000 -0.006 0.000 1.058 172 I HN 0.469 nan 8.210 nan 0.000 0.410 173 G N -0.048 108.744 108.800 -0.013 0.000 2.440 173 G HA2 -0.260 3.700 3.960 -0.000 0.000 0.218 173 G HA3 -0.260 3.700 3.960 -0.000 0.000 0.218 173 G C 1.579 176.469 174.900 -0.017 0.000 1.154 173 G CA 0.470 45.562 45.100 -0.013 0.000 0.767 173 G HN 0.404 nan 8.290 nan 0.000 0.552 174 Q N 0.222 120.017 119.800 -0.009 0.000 2.224 174 Q HA -0.018 4.322 4.340 -0.000 0.000 0.203 174 Q C 2.919 178.913 176.000 -0.011 0.000 0.970 174 Q CA 1.137 56.940 55.803 -0.000 0.000 0.865 174 Q CB 0.007 28.749 28.738 0.007 0.000 0.922 174 Q HN 0.459 nan 8.270 nan 0.000 0.445 175 S N 0.665 116.358 115.700 -0.013 0.000 2.387 175 S HA -0.058 4.412 4.470 -0.000 0.000 0.226 175 S C 1.886 176.463 174.600 -0.039 0.000 1.026 175 S CA 0.717 58.910 58.200 -0.013 0.000 0.972 175 S CB -0.051 63.146 63.200 -0.005 0.000 0.814 175 S HN 0.294 nan 8.310 nan 0.000 0.477 176 I N 2.201 122.735 120.570 -0.059 0.000 2.252 176 I HA -0.177 3.993 4.170 -0.000 0.000 0.245 176 I C 1.905 177.924 176.117 -0.163 0.000 1.102 176 I CA 0.873 62.114 61.300 -0.097 0.000 1.385 176 I CB -0.400 37.545 38.000 -0.092 0.000 1.064 176 I HN 0.203 nan 8.210 nan 0.000 0.414 177 N N 0.712 119.313 118.700 -0.164 0.000 2.244 177 N HA -0.147 4.593 4.740 -0.000 0.000 0.183 177 N C 1.738 177.173 175.510 -0.124 0.000 1.016 177 N CA 0.934 53.839 53.050 -0.242 0.000 0.866 177 N CB -0.377 38.099 38.487 -0.019 0.000 0.980 177 N HN 0.222 nan 8.380 nan 0.000 0.430 178 L N 0.876 122.046 121.223 -0.087 0.000 2.046 178 L HA -0.007 4.333 4.340 -0.000 0.000 0.208 178 L C 2.016 178.848 176.870 -0.063 0.000 1.077 178 L CA 1.494 56.258 54.840 -0.127 0.000 0.747 178 L CB -0.820 41.158 42.059 -0.135 0.000 0.896 178 L HN 0.120 nan 8.230 nan 0.000 0.432 179 A N -0.411 122.419 122.820 0.016 0.000 1.902 179 A HA -0.217 4.103 4.320 -0.000 0.000 0.217 179 A C 2.422 180.028 177.584 0.037 0.000 1.181 179 A CA 1.783 53.882 52.037 0.105 0.000 0.623 179 A CB -0.560 18.456 19.000 0.026 0.000 0.818 179 A HN 0.496 nan 8.150 nan 0.000 0.443 180 R N -0.421 120.009 120.500 -0.116 0.000 2.091 180 R HA -0.133 4.207 4.340 -0.000 0.000 0.238 180 R C 1.657 177.925 176.300 -0.053 0.000 1.136 180 R CA 1.506 57.496 56.100 -0.183 0.000 0.959 180 R CB -0.373 29.568 30.300 -0.598 0.000 0.856 180 R HN 0.469 nan 8.270 nan 0.000 0.437 181 D N -0.055 120.342 120.400 -0.005 0.000 2.117 181 D HA -0.151 4.489 4.640 -0.000 0.000 0.197 181 D C 1.656 177.901 176.300 -0.092 0.000 0.987 181 D CA 1.224 55.241 54.000 0.028 0.000 0.829 181 D CB -0.182 40.586 40.800 -0.053 0.000 0.961 181 D HN 0.072 nan 8.370 nan 0.000 0.460 182 F N 1.224 121.179 119.950 0.009 0.000 2.134 182 F HA -0.109 4.418 4.527 -0.000 0.000 0.299 182 F C 2.721 178.450 175.800 -0.118 0.000 1.097 182 F CA 0.758 58.739 58.000 -0.032 0.000 1.264 182 F CB -0.658 38.361 39.000 0.033 0.000 1.001 182 F HN -0.128 nan 8.300 nan 0.000 0.479 183 S N -0.234 115.531 115.700 0.109 0.000 2.368 183 S HA -0.143 4.327 4.470 -0.000 0.000 0.224 183 S C 1.791 176.461 174.600 0.118 0.000 1.029 183 S CA 1.051 59.330 58.200 0.131 0.000 0.988 183 S CB -0.346 62.950 63.200 0.160 0.000 0.838 183 S HN 0.350 nan 8.310 nan 0.000 0.462 184 N N 0.694 119.336 118.700 -0.096 0.000 2.459 184 N HA 0.115 4.855 4.740 -0.000 0.000 0.181 184 N C 0.386 175.585 175.510 -0.518 0.000 1.046 184 N CA 0.226 53.037 53.050 -0.397 0.000 0.904 184 N CB -0.340 37.504 38.487 -1.073 0.000 0.964 184 N HN 0.333 nan 8.380 nan 0.000 0.444 185 M N 1.913 121.337 119.600 -0.293 0.000 2.260 185 M HA 0.069 4.549 4.480 -0.000 0.000 0.348 185 M C -2.264 173.967 176.300 -0.115 0.000 1.342 185 M CA -1.277 54.002 55.300 -0.036 0.000 1.040 185 M CB 0.549 33.195 32.600 0.077 0.000 1.810 185 M HN -0.139 nan 8.290 nan 0.000 0.453 186 P HA 0.087 nan 4.420 nan 0.000 0.268 186 P C -2.219 174.988 177.300 -0.156 0.000 1.205 186 P CA -0.946 62.030 63.100 -0.206 0.000 0.771 186 P CB 0.005 31.517 31.700 -0.313 0.000 0.858 187 P HA -0.164 nan 4.420 nan 0.000 0.222 187 P C 0.762 177.956 177.300 -0.176 0.000 1.147 187 P CA 1.412 64.426 63.100 -0.143 0.000 0.790 187 P CB -0.165 31.446 31.700 -0.148 0.000 0.780 188 N N -0.055 118.534 118.700 -0.185 0.000 2.494 188 N HA -0.035 4.705 4.740 -0.000 0.000 0.182 188 N C 1.301 176.734 175.510 -0.130 0.000 1.076 188 N CA 0.624 53.580 53.050 -0.156 0.000 0.908 188 N CB -0.913 37.495 38.487 -0.131 0.000 0.967 188 N HN 0.089 nan 8.380 nan 0.000 0.449 189 V N 0.210 120.063 119.914 -0.102 0.000 2.627 189 V HA 0.163 4.283 4.120 -0.000 0.000 0.239 189 V C 0.822 176.897 176.094 -0.032 0.000 1.077 189 V CA 0.090 62.370 62.300 -0.032 0.000 1.103 189 V CB -0.146 31.709 31.823 0.054 0.000 0.802 189 V HN 0.145 nan 8.190 nan 0.000 0.482 190 L N 2.845 124.048 121.223 -0.033 0.000 2.328 190 L HA 0.386 4.726 4.340 -0.000 0.000 0.280 190 L C 0.481 177.304 176.870 -0.078 0.000 1.111 190 L CA 0.357 55.189 54.840 -0.012 0.000 0.909 190 L CB 0.166 42.225 42.059 -0.000 0.000 1.277 190 L HN 0.470 nan 8.230 nan 0.000 0.433 191 T N 1.270 115.767 114.554 -0.096 0.000 2.912 191 T HA 0.497 4.847 4.350 -0.000 0.000 0.280 191 T C -1.838 172.872 174.700 0.017 0.000 0.989 191 T CA -1.879 60.143 62.100 -0.130 0.000 0.995 191 T CB 1.242 69.889 68.868 -0.368 0.000 1.077 191 T HN 0.226 nan 8.240 nan 0.000 0.531 192 P HA -0.166 nan 4.420 nan 0.000 0.216 192 P C 1.714 179.079 177.300 0.109 0.000 1.153 192 P CA 1.194 64.365 63.100 0.118 0.000 0.858 192 P CB 0.057 31.802 31.700 0.075 0.000 0.789 193 Q N -0.453 119.386 119.800 0.066 0.000 2.020 193 Q HA -0.156 4.184 4.340 -0.000 0.000 0.202 193 Q C 2.012 178.051 176.000 0.065 0.000 0.982 193 Q CA 2.758 58.594 55.803 0.055 0.000 0.838 193 Q CB -0.674 28.096 28.738 0.053 0.000 0.899 193 Q HN 0.282 nan 8.270 nan 0.000 0.423 194 T N -1.275 113.322 114.554 0.072 0.000 2.867 194 T HA -0.136 4.214 4.350 -0.000 0.000 0.268 194 T C 1.613 176.423 174.700 0.184 0.000 1.057 194 T CA 0.889 63.049 62.100 0.100 0.000 1.136 194 T CB -0.503 68.410 68.868 0.076 0.000 0.874 194 T HN 0.304 nan 8.240 nan 0.000 0.466 195 F N 3.020 122.969 119.950 -0.002 0.000 2.102 195 F HA 0.218 4.744 4.527 -0.000 0.000 0.298 195 F C 2.637 178.394 175.800 -0.072 0.000 1.105 195 F CA 0.408 58.379 58.000 -0.048 0.000 1.239 195 F CB -1.182 37.760 39.000 -0.097 0.000 0.991 195 F HN 0.284 nan 8.300 nan 0.000 0.474 196 A N 0.079 122.830 122.820 -0.114 0.000 1.877 196 A HA -0.215 4.104 4.320 -0.000 0.000 0.216 196 A C 2.163 179.696 177.584 -0.084 0.000 1.186 196 A CA 1.869 53.793 52.037 -0.187 0.000 0.620 196 A CB -0.966 17.980 19.000 -0.090 0.000 0.822 196 A HN 0.533 nan 8.150 nan 0.000 0.443 197 E N -0.322 119.878 120.200 0.000 0.000 2.110 197 E HA -0.199 4.151 4.350 -0.000 0.000 0.193 197 E C 1.477 178.117 176.600 0.066 0.000 0.988 197 E CA 1.231 57.654 56.400 0.038 0.000 0.804 197 E CB -0.194 29.539 29.700 0.055 0.000 0.745 197 E HN 0.537 nan 8.360 nan 0.000 0.458 198 D N 0.381 120.845 120.400 0.107 0.000 2.144 198 D HA -0.102 4.538 4.640 -0.000 0.000 0.200 198 D C 1.863 178.268 176.300 0.175 0.000 0.978 198 D CA 0.765 54.883 54.000 0.198 0.000 0.833 198 D CB -0.069 40.984 40.800 0.422 0.000 0.961 198 D HN 0.177 nan 8.370 nan 0.000 0.470 199 I N 0.046 120.629 120.570 0.023 0.000 2.252 199 I HA -0.208 3.962 4.170 -0.000 0.000 0.245 199 I C 2.320 178.537 176.117 0.167 0.000 1.102 199 I CA 0.477 61.794 61.300 0.029 0.000 1.385 199 I CB -0.123 37.769 38.000 -0.181 0.000 1.064 199 I HN -0.109 nan 8.210 nan 0.000 0.414 200 V N 1.309 121.283 119.914 0.101 0.000 2.255 200 V HA -0.297 3.823 4.120 -0.000 0.000 0.247 200 V C 2.177 178.343 176.094 0.120 0.000 1.051 200 V CA 2.067 64.437 62.300 0.116 0.000 1.018 200 V CB -0.821 31.040 31.823 0.064 0.000 0.641 200 V HN 0.462 nan 8.190 nan 0.000 0.445 201 N N -0.569 118.189 118.700 0.096 0.000 2.223 201 N HA -0.181 4.558 4.740 -0.000 0.000 0.185 201 N C 1.812 177.354 175.510 0.053 0.000 1.016 201 N CA 1.717 54.811 53.050 0.073 0.000 0.863 201 N CB -0.489 38.040 38.487 0.069 0.000 0.983 201 N HN 0.729 nan 8.380 nan 0.000 0.429 202 H N -0.475 118.562 119.070 -0.054 0.000 2.357 202 H HA 0.021 4.577 4.556 -0.000 0.000 0.301 202 H C 0.815 175.986 175.328 -0.262 0.000 1.082 202 H CA 1.499 57.422 56.048 -0.208 0.000 1.342 202 H CB -0.160 29.394 29.762 -0.347 0.000 1.389 202 H HN 0.065 nan 8.280 nan 0.000 0.511 203 F N 0.437 120.399 119.950 0.019 0.000 2.732 203 F HA 0.227 4.754 4.527 -0.000 0.000 0.303 203 F C 2.073 177.854 175.800 -0.032 0.000 1.110 203 F CA 0.028 58.005 58.000 -0.037 0.000 1.355 203 F CB -0.051 38.976 39.000 0.045 0.000 1.081 203 F HN 0.107 nan 8.300 nan 0.000 0.565 204 K N 0.573 121.030 120.400 0.095 0.000 2.032 204 K HA -0.158 4.162 4.320 -0.000 0.000 0.209 204 K C 0.977 177.606 176.600 0.048 0.000 1.048 204 K CA 1.505 57.833 56.287 0.068 0.000 0.927 204 K CB 0.005 32.527 32.500 0.037 0.000 0.712 204 K HN 0.108 nan 8.250 nan 0.000 0.441 205 N N 0.906 119.617 118.700 0.020 0.000 2.279 205 N HA 0.006 4.746 4.740 -0.000 0.000 0.226 205 N C -0.427 175.097 175.510 0.024 0.000 1.126 205 N CA 0.253 53.311 53.050 0.013 0.000 0.846 205 N CB 0.990 39.471 38.487 -0.009 0.000 1.050 205 N HN 0.352 nan 8.380 nan 0.000 0.502 206 T N -3.521 111.070 114.554 0.063 0.000 2.870 206 T HA 0.322 4.671 4.350 -0.000 0.000 0.277 206 T C 1.081 175.834 174.700 0.089 0.000 1.000 206 T CA -0.639 61.513 62.100 0.087 0.000 0.982 206 T CB 2.148 71.115 68.868 0.165 0.000 1.249 206 T HN -0.197 nan 8.240 nan 0.000 0.589 207 K N -0.376 120.085 120.400 0.102 0.000 2.439 207 K HA 0.158 4.478 4.320 -0.000 0.000 0.197 207 K C 0.107 176.765 176.600 0.097 0.000 1.041 207 K CA 0.150 56.498 56.287 0.100 0.000 0.970 207 K CB -0.154 32.434 32.500 0.148 0.000 0.773 207 K HN 0.450 nan 8.250 nan 0.000 0.479 208 V N 3.527 123.484 119.914 0.071 0.000 2.455 208 V HA 0.077 4.197 4.120 -0.000 0.000 0.273 208 V C 0.003 176.055 176.094 -0.069 0.000 1.045 208 V CA -0.337 61.917 62.300 -0.077 0.000 0.976 208 V CB 1.135 32.667 31.823 -0.486 0.000 0.993 208 V HN 0.087 nan 8.190 nan 0.000 0.475 209 K N 4.033 124.393 120.400 -0.065 0.000 2.172 209 K HA 0.629 4.948 4.320 -0.000 0.000 0.276 209 K C -0.801 175.770 176.600 -0.049 0.000 1.013 209 K CA -0.472 55.799 56.287 -0.027 0.000 0.913 209 K CB 2.147 34.643 32.500 -0.007 0.000 1.055 209 K HN 0.410 nan 8.250 nan 0.000 0.461 210 V N 1.967 121.882 119.914 0.002 0.000 2.531 210 V HA 0.173 4.293 4.120 -0.000 0.000 0.301 210 V C -0.741 175.367 176.094 0.023 0.000 1.034 210 V CA -0.925 61.380 62.300 0.009 0.000 0.865 210 V CB 1.882 33.743 31.823 0.063 0.000 0.995 210 V HN 0.725 nan 8.190 nan 0.000 0.424 211 D N 3.223 123.635 120.400 0.021 0.000 2.375 211 D HA 0.629 5.269 4.640 -0.000 0.000 0.247 211 D C -1.082 175.219 176.300 0.002 0.000 1.061 211 D CA -0.242 53.776 54.000 0.030 0.000 0.834 211 D CB 2.102 42.942 40.800 0.067 0.000 1.247 211 D HN 0.301 nan 8.370 nan 0.000 0.489 212 V N 4.273 124.182 119.914 -0.008 0.000 2.417 212 V HA 0.350 4.470 4.120 -0.000 0.000 0.291 212 V C -0.067 176.000 176.094 -0.045 0.000 1.024 212 V CA -0.849 61.429 62.300 -0.037 0.000 0.861 212 V CB 1.542 33.347 31.823 -0.029 0.000 0.985 212 V HN 0.493 nan 8.190 nan 0.000 0.436 213 K N 4.085 124.428 120.400 -0.095 0.000 2.292 213 K HA 0.321 4.641 4.320 -0.000 0.000 0.270 213 K C -0.154 176.387 176.600 -0.099 0.000 1.062 213 K CA -0.617 55.595 56.287 -0.124 0.000 0.916 213 K CB 0.542 32.884 32.500 -0.263 0.000 1.166 213 K HN 0.902 nan 8.250 nan 0.000 0.458 214 D N 2.088 122.465 120.400 -0.039 0.000 2.384 214 D HA -0.140 4.499 4.640 -0.000 0.000 0.244 214 D C 1.014 177.342 176.300 0.047 0.000 1.251 214 D CA -0.126 53.884 54.000 0.016 0.000 0.961 214 D CB 0.293 41.116 40.800 0.038 0.000 1.116 214 D HN 0.432 nan 8.370 nan 0.000 0.484 215 Y N 0.261 120.538 120.300 -0.038 0.000 2.165 215 Y HA -0.209 4.341 4.550 -0.000 0.000 0.286 215 Y C 1.519 177.410 175.900 -0.015 0.000 1.155 215 Y CA 2.204 60.286 58.100 -0.030 0.000 1.164 215 Y CB -0.455 37.998 38.460 -0.011 0.000 0.978 215 Y HN 0.340 nan 8.280 nan 0.000 0.513 216 D N -1.221 119.138 120.400 -0.068 0.000 2.178 216 D HA -0.136 4.503 4.640 -0.000 0.000 0.201 216 D C 2.115 178.354 176.300 -0.103 0.000 0.980 216 D CA 1.900 55.821 54.000 -0.132 0.000 0.842 216 D CB -0.389 40.393 40.800 -0.031 0.000 0.948 216 D HN 0.381 nan 8.370 nan 0.000 0.472 217 T N 0.558 115.075 114.554 -0.060 0.000 2.851 217 T HA 0.020 4.370 4.350 -0.000 0.000 0.262 217 T C 2.214 176.895 174.700 -0.031 0.000 1.043 217 T CA 0.282 62.361 62.100 -0.035 0.000 1.140 217 T CB -0.199 68.651 68.868 -0.030 0.000 0.872 217 T HN 0.105 nan 8.240 nan 0.000 0.446 218 L N 1.633 122.798 121.223 -0.096 0.000 2.013 218 L HA -0.143 4.197 4.340 -0.000 0.000 0.212 218 L C 2.876 179.785 176.870 0.064 0.000 1.073 218 L CA 1.435 56.229 54.840 -0.078 0.000 0.753 218 L CB -0.959 41.019 42.059 -0.134 0.000 0.890 218 L HN 0.273 nan 8.230 nan 0.000 0.432 219 V N -3.414 116.437 119.914 -0.105 0.000 2.453 219 V HA -0.135 3.985 4.120 -0.000 0.000 0.247 219 V C 2.450 178.531 176.094 -0.022 0.000 1.048 219 V CA 1.662 63.900 62.300 -0.105 0.000 1.049 219 V CB -0.686 30.968 31.823 -0.281 0.000 0.672 219 V HN 0.526 nan 8.190 nan 0.000 0.457 220 S N -0.310 115.381 115.700 -0.016 0.000 2.527 220 S HA 0.053 4.523 4.470 -0.000 0.000 0.222 220 S C 1.590 176.221 174.600 0.052 0.000 0.985 220 S CA 0.941 59.147 58.200 0.011 0.000 0.921 220 S CB -0.374 62.827 63.200 0.001 0.000 0.772 220 S HN 0.766 nan 8.310 nan 0.000 0.529 221 E N 0.556 120.822 120.200 0.110 0.000 2.481 221 E HA 0.293 4.643 4.350 -0.000 0.000 0.198 221 E C 0.848 177.499 176.600 0.086 0.000 1.027 221 E CA 0.159 56.650 56.400 0.151 0.000 0.900 221 E CB 0.361 30.234 29.700 0.288 0.000 0.993 221 E HN 0.670 nan 8.360 nan 0.000 0.482 222 G N 1.512 110.363 108.800 0.084 0.000 2.142 222 G HA2 -0.257 3.703 3.960 -0.000 0.000 0.225 222 G HA3 -0.257 3.703 3.960 -0.000 0.000 0.225 222 G C -0.067 174.795 174.900 -0.064 0.000 1.015 222 G CA -0.470 44.629 45.100 -0.002 0.000 0.716 222 G HN 0.216 nan 8.290 nan 0.000 0.508 223 F N 2.120 122.064 119.950 -0.011 0.000 2.651 223 F HA 0.398 4.925 4.527 -0.000 0.000 0.369 223 F C 2.018 177.803 175.800 -0.026 0.000 1.187 223 F CA 0.597 58.588 58.000 -0.015 0.000 1.335 223 F CB 0.198 39.178 39.000 -0.033 0.000 1.707 223 F HN 0.159 nan 8.300 nan 0.000 0.637 224 G N 0.747 109.588 108.800 0.067 0.000 2.440 224 G HA2 -0.215 3.745 3.960 -0.000 0.000 0.218 224 G HA3 -0.215 3.745 3.960 -0.000 0.000 0.218 224 G C 1.649 176.529 174.900 -0.034 0.000 1.154 224 G CA 0.566 45.692 45.100 0.043 0.000 0.767 224 G HN 0.485 nan 8.290 nan 0.000 0.552 225 L N -0.494 120.724 121.223 -0.008 0.000 2.072 225 L HA 0.058 4.398 4.340 -0.000 0.000 0.205 225 L C 2.659 179.495 176.870 -0.057 0.000 1.079 225 L CA 0.341 55.148 54.840 -0.054 0.000 0.752 225 L CB -0.450 41.611 42.059 0.005 0.000 0.906 225 L HN 0.211 nan 8.230 nan 0.000 0.436 226 L N 0.087 121.334 121.223 0.039 0.000 2.083 226 L HA -0.227 4.113 4.340 -0.000 0.000 0.209 226 L C 2.584 179.476 176.870 0.037 0.000 1.083 226 L CA 1.703 56.575 54.840 0.054 0.000 0.752 226 L CB -0.735 41.391 42.059 0.112 0.000 0.899 226 L HN 0.292 nan 8.230 nan 0.000 0.433 227 Q N -0.641 119.189 119.800 0.049 0.000 2.050 227 Q HA -0.229 4.111 4.340 -0.000 0.000 0.202 227 Q C 2.119 178.094 176.000 -0.042 0.000 0.980 227 Q CA 1.969 57.823 55.803 0.085 0.000 0.840 227 Q CB -0.219 28.555 28.738 0.059 0.000 0.898 227 Q HN 0.622 nan 8.270 nan 0.000 0.424 228 A N 0.136 122.786 122.820 -0.283 0.000 1.908 228 A HA -0.151 4.169 4.320 -0.000 0.000 0.218 228 A C 2.211 179.635 177.584 -0.268 0.000 1.181 228 A CA 1.719 53.409 52.037 -0.579 0.000 0.627 228 A CB -0.755 17.376 19.000 -1.450 0.000 0.818 228 A HN 0.323 nan 8.150 nan 0.000 0.445 229 V N -0.658 119.159 119.914 -0.162 0.000 2.379 229 V HA -0.092 4.028 4.120 -0.000 0.000 0.245 229 V C 2.540 178.615 176.094 -0.032 0.000 1.044 229 V CA 1.919 64.178 62.300 -0.067 0.000 1.036 229 V CB -0.945 30.856 31.823 -0.036 0.000 0.664 229 V HN 0.624 nan 8.190 nan 0.000 0.453 230 G N 0.244 109.029 108.800 -0.025 0.000 2.986 230 G HA2 -0.049 3.911 3.960 -0.000 0.000 0.213 230 G HA3 -0.049 3.911 3.960 -0.000 0.000 0.213 230 G C 1.382 176.238 174.900 -0.073 0.000 1.156 230 G CA 0.402 45.483 45.100 -0.032 0.000 0.763 230 G HN 0.639 nan 8.290 nan 0.000 0.547 231 K N 0.141 120.520 120.400 -0.035 0.000 2.283 231 K HA 0.103 4.423 4.320 -0.000 0.000 0.202 231 K C 2.113 178.690 176.600 -0.038 0.000 1.048 231 K CA 1.051 57.318 56.287 -0.034 0.000 0.948 231 K CB -0.187 32.361 32.500 0.080 0.000 0.742 231 K HN 0.065 nan 8.250 nan 0.000 0.458 232 G N 0.899 109.689 108.800 -0.017 0.000 2.744 232 G HA2 -0.098 3.862 3.960 -0.000 0.000 0.211 232 G HA3 -0.098 3.862 3.960 -0.000 0.000 0.211 232 G C 0.242 175.115 174.900 -0.045 0.000 1.143 232 G CA -0.026 45.070 45.100 -0.007 0.000 0.788 232 G HN 0.342 nan 8.290 nan 0.000 0.534 233 S N -0.904 114.752 115.700 -0.073 0.000 2.608 233 S HA 0.355 4.825 4.470 -0.000 0.000 0.291 233 S C 1.307 175.804 174.600 -0.172 0.000 1.146 233 S CA -0.565 57.579 58.200 -0.094 0.000 1.043 233 S CB 1.835 65.011 63.200 -0.040 0.000 1.037 233 S HN 0.206 nan 8.310 nan 0.000 0.520 234 K N 1.266 121.507 120.400 -0.264 0.000 2.097 234 K HA -0.040 4.280 4.320 -0.000 0.000 0.205 234 K C 0.041 176.389 176.600 -0.421 0.000 1.050 234 K CA 1.029 57.088 56.287 -0.381 0.000 0.938 234 K CB -0.163 32.026 32.500 -0.518 0.000 0.718 234 K HN 0.688 nan 8.250 nan 0.000 0.442 235 H N 2.084 121.100 119.070 -0.091 0.000 2.872 235 H HA 0.132 4.688 4.556 -0.000 0.000 0.273 235 H C -0.284 174.963 175.328 -0.135 0.000 1.205 235 H CA -0.342 55.653 56.048 -0.088 0.000 1.342 235 H CB 0.479 30.210 29.762 -0.051 0.000 1.469 235 H HN -0.026 nan 8.280 nan 0.000 0.487 236 K N 3.831 124.145 120.400 -0.143 0.000 2.276 236 K HA 0.148 4.468 4.320 -0.000 0.000 0.259 236 K C -2.094 174.417 176.600 -0.147 0.000 1.001 236 K CA -1.702 54.379 56.287 -0.344 0.000 0.927 236 K CB 0.307 32.348 32.500 -0.764 0.000 0.969 236 K HN 0.406 nan 8.250 nan 0.000 0.490 237 P HA 0.112 nan 4.420 nan 0.000 0.271 237 P C -0.353 176.967 177.300 0.034 0.000 1.233 237 P CA -0.020 63.084 63.100 0.007 0.000 0.789 237 P CB 0.672 32.399 31.700 0.045 0.000 0.951 238 R N 0.317 120.820 120.500 0.005 0.000 2.771 238 R HA 0.581 4.921 4.340 -0.000 0.000 0.274 238 R C -0.978 175.261 176.300 -0.102 0.000 0.987 238 R CA -1.090 54.987 56.100 -0.038 0.000 0.908 238 R CB 1.516 31.805 30.300 -0.018 0.000 1.213 238 R HN 0.423 nan 8.270 nan 0.000 0.468 239 L N 1.575 122.682 121.223 -0.193 0.000 2.325 239 L HA 0.480 4.820 4.340 -0.000 0.000 0.281 239 L C -1.122 175.643 176.870 -0.176 0.000 1.004 239 L CA -0.614 54.078 54.840 -0.247 0.000 0.823 239 L CB 1.907 43.647 42.059 -0.531 0.000 1.236 239 L HN 0.308 nan 8.230 nan 0.000 0.415 240 V N 3.659 123.503 119.914 -0.118 0.000 2.370 240 V HA 0.505 4.624 4.120 -0.000 0.000 0.283 240 V C -0.020 176.052 176.094 -0.036 0.000 1.023 240 V CA -0.465 61.778 62.300 -0.095 0.000 0.857 240 V CB 1.539 33.268 31.823 -0.158 0.000 0.985 240 V HN 0.803 nan 8.190 nan 0.000 0.443 241 T N 6.626 121.181 114.554 0.002 0.000 2.771 241 T HA 0.683 5.032 4.350 -0.000 0.000 0.281 241 T C -0.275 174.416 174.700 -0.016 0.000 0.982 241 T CA -0.106 62.025 62.100 0.052 0.000 0.978 241 T CB 0.867 69.844 68.868 0.183 0.000 0.930 241 T HN 0.408 nan 8.240 nan 0.000 0.447 242 I N 3.720 124.252 120.570 -0.064 0.000 2.410 242 I HA 0.358 4.528 4.170 -0.000 0.000 0.286 242 I C 0.360 176.398 176.117 -0.132 0.000 1.009 242 I CA -0.758 60.468 61.300 -0.123 0.000 1.111 242 I CB 1.762 39.661 38.000 -0.168 0.000 1.262 242 I HN 0.634 nan 8.210 nan 0.000 0.443 243 T N 2.413 116.898 114.554 -0.115 0.000 2.797 243 T HA 0.543 4.893 4.350 -0.000 0.000 0.279 243 T C -1.004 173.682 174.700 -0.022 0.000 0.991 243 T CA -0.768 61.282 62.100 -0.083 0.000 0.979 243 T CB 1.627 70.455 68.868 -0.067 0.000 0.943 243 T HN 0.414 nan 8.240 nan 0.000 0.444 244 Y N 2.756 122.975 120.300 -0.136 0.000 2.329 244 Y HA 0.461 5.011 4.550 -0.000 0.000 0.328 244 Y C -1.115 174.742 175.900 -0.071 0.000 0.992 244 Y CA -1.280 56.753 58.100 -0.113 0.000 1.151 244 Y CB 1.471 39.856 38.460 -0.124 0.000 1.150 244 Y HN 0.702 nan 8.280 nan 0.000 0.450 245 N N 4.638 123.004 118.700 -0.557 0.000 2.801 245 N HA 0.189 4.929 4.740 -0.000 0.000 0.235 245 N C 0.677 175.763 175.510 -0.706 0.000 1.069 245 N CA 0.314 53.066 53.050 -0.498 0.000 0.946 245 N CB 1.640 39.982 38.487 -0.241 0.000 1.212 245 N HN 1.076 nan 8.380 nan 0.000 0.509 246 G N 0.843 109.094 108.800 -0.916 0.000 2.712 246 G HA2 -0.162 3.798 3.960 -0.000 0.000 0.212 246 G HA3 -0.162 3.798 3.960 -0.000 0.000 0.212 246 G C 1.257 176.012 174.900 -0.243 0.000 1.142 246 G CA 0.513 45.227 45.100 -0.644 0.000 0.789 246 G HN 0.467 nan 8.290 nan 0.000 0.535 247 K N -2.139 118.140 120.400 -0.202 0.000 2.494 247 K HA 0.276 4.596 4.320 -0.000 0.000 0.201 247 K C -0.385 176.155 176.600 -0.100 0.000 1.338 247 K CA -0.152 56.066 56.287 -0.115 0.000 0.935 247 K CB 0.813 33.264 32.500 -0.082 0.000 1.514 247 K HN -0.016 nan 8.250 nan 0.000 0.490 248 D N 0.208 120.546 120.400 -0.103 0.000 2.602 248 D HA 0.098 4.738 4.640 -0.000 0.000 0.236 248 D C -0.441 175.815 176.300 -0.074 0.000 1.209 248 D CA -0.373 53.582 54.000 -0.075 0.000 0.831 248 D CB 2.590 43.357 40.800 -0.055 0.000 1.478 248 D HN 0.126 nan 8.370 nan 0.000 0.438 249 K N 0.807 121.174 120.400 -0.055 0.000 2.103 249 K HA -0.122 4.198 4.320 -0.000 0.000 0.204 249 K C 0.682 177.262 176.600 -0.033 0.000 1.052 249 K CA 1.738 57.999 56.287 -0.044 0.000 0.945 249 K CB 0.146 32.626 32.500 -0.034 0.000 0.722 249 K HN 0.325 nan 8.250 nan 0.000 0.443 250 D N -0.247 120.135 120.400 -0.030 0.000 2.417 250 D HA -0.034 4.605 4.640 -0.000 0.000 0.207 250 D C -0.020 176.269 176.300 -0.018 0.000 1.075 250 D CA -0.164 53.824 54.000 -0.021 0.000 0.851 250 D CB -0.160 40.628 40.800 -0.020 0.000 0.976 250 D HN 0.295 nan 8.370 nan 0.000 0.505 251 E N 1.033 121.219 120.200 -0.024 0.000 2.324 251 E HA 0.376 4.726 4.350 -0.000 0.000 0.271 251 E C -0.206 176.387 176.600 -0.011 0.000 1.028 251 E CA -0.453 55.935 56.400 -0.020 0.000 0.890 251 E CB 0.662 30.346 29.700 -0.027 0.000 1.004 251 E HN 0.243 nan 8.360 nan 0.000 0.431 252 A N 6.608 129.427 122.820 -0.002 0.000 2.592 252 A HA 0.018 4.338 4.320 -0.000 0.000 0.250 252 A C -2.028 175.565 177.584 0.016 0.000 1.017 252 A CA -0.673 51.371 52.037 0.011 0.000 0.794 252 A CB -0.511 18.496 19.000 0.013 0.000 0.917 252 A HN 0.515 nan 8.150 nan 0.000 0.515 253 P HA 0.410 nan 4.420 nan 0.000 0.276 253 P C -0.495 176.831 177.300 0.044 0.000 1.261 253 P CA -0.403 62.706 63.100 0.016 0.000 0.800 253 P CB 0.691 32.383 31.700 -0.013 0.000 1.066 254 I N 0.439 121.052 120.570 0.072 0.000 2.315 254 I HA 0.328 4.498 4.170 -0.000 0.000 0.291 254 I C 0.631 176.797 176.117 0.081 0.000 1.006 254 I CA -0.729 60.646 61.300 0.125 0.000 1.265 254 I CB 1.101 39.243 38.000 0.236 0.000 1.387 254 I HN 0.303 nan 8.210 nan 0.000 0.475 255 A N 8.297 131.149 122.820 0.054 0.000 2.309 255 A HA 0.672 4.992 4.320 -0.000 0.000 0.290 255 A C -0.481 177.150 177.584 0.079 0.000 1.206 255 A CA -0.309 51.741 52.037 0.021 0.000 0.850 255 A CB 0.117 19.106 19.000 -0.019 0.000 1.118 255 A HN 0.712 nan 8.150 nan 0.000 0.523 256 L N 4.075 125.365 121.223 0.111 0.000 2.316 256 L HA 0.424 4.764 4.340 -0.000 0.000 0.280 256 L C -0.806 176.191 176.870 0.211 0.000 1.006 256 L CA -0.708 54.269 54.840 0.227 0.000 0.836 256 L CB 1.576 43.778 42.059 0.239 0.000 1.221 256 L HN 0.403 nan 8.230 nan 0.000 0.418 257 V N 1.966 122.030 119.914 0.250 0.000 2.435 257 V HA 0.739 4.859 4.120 -0.000 0.000 0.290 257 V C 0.522 176.806 176.094 0.316 0.000 1.030 257 V CA -0.435 62.001 62.300 0.227 0.000 0.881 257 V CB 1.651 33.578 31.823 0.175 0.000 0.983 257 V HN 0.834 nan 8.190 nan 0.000 0.445 258 G N 2.869 111.821 108.800 0.254 0.000 2.566 258 G HA2 0.507 4.467 3.960 -0.000 0.000 0.311 258 G HA3 0.507 4.467 3.960 -0.000 0.000 0.311 258 G C -0.890 174.135 174.900 0.209 0.000 1.322 258 G CA -0.746 44.511 45.100 0.261 0.000 0.969 258 G HN 0.644 nan 8.290 nan 0.000 0.490 259 K N 1.478 122.004 120.400 0.210 0.000 2.349 259 K HA 0.359 4.679 4.320 -0.000 0.000 0.289 259 K C 0.689 177.372 176.600 0.138 0.000 1.064 259 K CA -0.256 56.129 56.287 0.162 0.000 0.947 259 K CB 0.477 33.072 32.500 0.158 0.000 1.007 259 K HN 0.460 nan 8.250 nan 0.000 0.478 260 G N 6.216 115.094 108.800 0.130 0.000 4.486 260 G HA2 0.194 4.154 3.960 -0.000 0.000 0.306 260 G HA3 0.194 4.154 3.960 -0.000 0.000 0.306 260 G C -0.023 174.914 174.900 0.061 0.000 1.331 260 G CA -0.473 44.705 45.100 0.129 0.000 1.113 260 G HN 0.550 nan 8.290 nan 0.000 0.594 261 I N 3.136 123.725 120.570 0.032 0.000 2.389 261 I HA 0.027 4.197 4.170 -0.000 0.000 0.295 261 I C 2.007 178.106 176.117 -0.030 0.000 1.117 261 I CA 0.223 61.527 61.300 0.007 0.000 1.317 261 I CB -0.079 37.920 38.000 -0.002 0.000 1.431 261 I HN 0.275 nan 8.210 nan 0.000 0.521 262 T N 3.498 118.035 114.554 -0.028 0.000 2.833 262 T HA -0.167 4.183 4.350 -0.000 0.000 0.269 262 T C 0.371 175.096 174.700 0.042 0.000 1.054 262 T CA 1.097 63.163 62.100 -0.057 0.000 1.135 262 T CB -0.067 68.765 68.868 -0.061 0.000 0.869 262 T HN 0.439 nan 8.240 nan 0.000 0.466 263 Y N 0.300 120.552 120.300 -0.080 0.000 2.482 263 Y HA 0.476 5.026 4.550 -0.000 0.000 0.334 263 Y C -2.144 173.723 175.900 -0.054 0.000 1.091 263 Y CA -1.819 56.234 58.100 -0.078 0.000 1.027 263 Y CB 2.057 40.468 38.460 -0.082 0.000 1.306 263 Y HN -0.004 nan 8.280 nan 0.000 0.446 264 D N 2.318 122.376 120.400 -0.570 0.000 2.462 264 D HA 0.241 4.881 4.640 -0.000 0.000 0.245 264 D C 0.238 176.297 176.300 -0.402 0.000 1.122 264 D CA 0.035 53.835 54.000 -0.333 0.000 0.864 264 D CB 1.383 42.041 40.800 -0.236 0.000 1.098 264 D HN 0.492 nan 8.370 nan 0.000 0.541 265 S N 2.113 117.744 115.700 -0.115 0.000 2.501 265 S HA 0.272 4.742 4.470 -0.000 0.000 0.220 265 S C 1.679 176.247 174.600 -0.055 0.000 0.997 265 S CA 0.584 58.773 58.200 -0.019 0.000 0.919 265 S CB 0.250 63.508 63.200 0.096 0.000 0.778 265 S HN 0.799 nan 8.310 nan 0.000 0.523 266 G N 0.483 109.245 108.800 -0.064 0.000 2.213 266 G HA2 0.186 4.146 3.960 -0.000 0.000 0.226 266 G HA3 0.186 4.146 3.960 -0.000 0.000 0.226 266 G C 1.167 176.048 174.900 -0.032 0.000 0.992 266 G CA 0.248 45.316 45.100 -0.053 0.000 0.632 266 G HN 1.766 nan 8.290 nan 0.000 0.511 267 G N -0.660 108.119 108.800 -0.036 0.000 2.539 267 G HA2 -0.197 3.763 3.960 -0.000 0.000 0.256 267 G HA3 -0.197 3.763 3.960 -0.000 0.000 0.256 267 G C 0.537 175.396 174.900 -0.067 0.000 1.233 267 G CA 0.629 45.707 45.100 -0.036 0.000 0.936 267 G HN 1.033 nan 8.290 nan 0.000 0.571 268 Y N 1.308 121.609 120.300 0.001 0.000 2.403 268 Y HA 0.112 4.662 4.550 -0.000 0.000 0.291 268 Y C 2.708 178.599 175.900 -0.015 0.000 1.143 268 Y CA 1.747 59.846 58.100 -0.002 0.000 1.257 268 Y CB 0.064 38.527 38.460 0.006 0.000 0.984 268 Y HN 0.275 nan 8.280 nan 0.000 0.550 269 S N 1.150 116.909 115.700 0.098 0.000 4.183 269 S HA 0.136 4.605 4.470 -0.000 0.000 0.195 269 S C 0.196 174.791 174.600 -0.009 0.000 1.421 269 S CA -0.358 57.855 58.200 0.021 0.000 0.920 269 S CB -1.112 62.070 63.200 -0.030 0.000 1.525 269 S HN 0.230 nan 8.310 nan 0.000 0.447 270 I N 2.204 122.770 120.570 -0.006 0.000 2.752 270 I HA 0.036 4.205 4.170 -0.000 0.000 0.287 270 I C 0.421 176.523 176.117 -0.025 0.000 1.188 270 I CA -0.103 61.180 61.300 -0.027 0.000 1.427 270 I CB 0.500 38.480 38.000 -0.034 0.000 1.365 270 I HN 0.279 nan 8.210 nan 0.000 0.585 271 K N 4.526 124.907 120.400 -0.030 0.000 2.168 271 K HA 0.214 4.534 4.320 -0.000 0.000 0.258 271 K C 0.228 176.818 176.600 -0.017 0.000 1.010 271 K CA -0.354 55.916 56.287 -0.029 0.000 0.929 271 K CB 0.661 33.136 32.500 -0.042 0.000 0.998 271 K HN 0.714 nan 8.250 nan 0.000 0.479 272 T N -1.342 113.203 114.554 -0.014 0.000 2.726 272 T HA 0.098 4.448 4.350 -0.000 0.000 0.294 272 T C 1.102 175.800 174.700 -0.004 0.000 1.013 272 T CA -0.420 61.676 62.100 -0.007 0.000 0.996 272 T CB 0.673 69.538 68.868 -0.005 0.000 1.016 272 T HN 0.453 nan 8.240 nan 0.000 0.529 273 K N 0.590 120.989 120.400 -0.001 0.000 2.001 273 K HA -0.154 4.166 4.320 -0.000 0.000 0.214 273 K C 2.229 178.832 176.600 0.004 0.000 1.050 273 K CA 1.880 58.169 56.287 0.003 0.000 0.934 273 K CB -0.321 32.180 32.500 0.003 0.000 0.718 273 K HN 0.513 nan 8.250 nan 0.000 0.443 274 N N 0.110 118.811 118.700 0.003 0.000 2.381 274 N HA -0.087 4.653 4.740 -0.000 0.000 0.182 274 N C 1.739 177.249 175.510 -0.000 0.000 1.025 274 N CA 1.114 54.166 53.050 0.004 0.000 0.888 274 N CB -0.416 38.074 38.487 0.005 0.000 0.965 274 N HN 0.334 nan 8.380 nan 0.000 0.438 275 G N 0.460 109.256 108.800 -0.007 0.000 2.422 275 G HA2 -0.147 3.812 3.960 -0.000 0.000 0.218 275 G HA3 -0.147 3.812 3.960 -0.000 0.000 0.218 275 G C 1.478 176.357 174.900 -0.035 0.000 1.140 275 G CA 0.211 45.300 45.100 -0.018 0.000 0.775 275 G HN 0.220 nan 8.290 nan 0.000 0.545 276 M N 0.748 120.333 119.600 -0.025 0.000 2.447 276 M HA 0.237 4.717 4.480 -0.000 0.000 0.264 276 M C 1.632 177.921 176.300 -0.019 0.000 1.095 276 M CA -0.059 55.221 55.300 -0.035 0.000 1.125 276 M CB 0.025 32.647 32.600 0.036 0.000 1.389 276 M HN 0.213 nan 8.290 nan 0.000 0.459 277 A N 1.450 124.270 122.820 -0.000 0.000 2.565 277 A HA 0.144 4.464 4.320 -0.000 0.000 0.237 277 A C 1.233 178.811 177.584 -0.010 0.000 1.053 277 A CA 0.926 52.966 52.037 0.006 0.000 0.755 277 A CB -0.450 18.559 19.000 0.016 0.000 0.980 277 A HN 0.773 nan 8.150 nan 0.000 0.506 278 T N -0.022 114.511 114.554 -0.035 0.000 4.210 278 T HA -0.188 4.162 4.350 -0.000 0.000 0.329 278 T C 0.528 175.147 174.700 -0.134 0.000 0.793 278 T CA 1.561 63.613 62.100 -0.080 0.000 1.935 278 T CB -2.089 66.901 68.868 0.202 0.000 1.918 278 T HN 0.716 nan 8.240 nan 0.000 0.875 279 M N 0.536 120.014 119.600 -0.203 0.000 2.561 279 M HA 0.165 4.644 4.480 -0.000 0.000 0.238 279 M C 2.092 178.175 176.300 -0.361 0.000 1.131 279 M CA 1.201 56.297 55.300 -0.339 0.000 1.046 279 M CB -0.400 31.830 32.600 -0.617 0.000 1.532 279 M HN 0.835 nan 8.290 nan 0.000 0.497 280 K N -0.938 119.287 120.400 -0.292 0.000 2.365 280 K HA -0.059 4.261 4.320 -0.000 0.000 0.199 280 K C 0.806 177.251 176.600 -0.259 0.000 1.045 280 K CA 1.039 57.178 56.287 -0.246 0.000 0.962 280 K CB -0.325 31.968 32.500 -0.345 0.000 0.759 280 K HN 0.071 nan 8.250 nan 0.000 0.469 281 F N 1.805 121.709 119.950 -0.076 0.000 2.731 281 F HA 0.110 4.637 4.527 -0.000 0.000 0.304 281 F C 0.884 176.641 175.800 -0.071 0.000 1.133 281 F CA -0.326 57.629 58.000 -0.075 0.000 1.380 281 F CB -0.203 38.760 39.000 -0.062 0.000 1.079 281 F HN 0.067 nan 8.300 nan 0.000 0.550 282 D N 0.272 120.694 120.400 0.037 0.000 2.349 282 D HA -0.042 4.598 4.640 -0.000 0.000 0.224 282 D C 1.515 177.823 176.300 0.014 0.000 1.029 282 D CA 0.649 54.653 54.000 0.006 0.000 0.879 282 D CB 0.035 40.792 40.800 -0.072 0.000 0.906 282 D HN 0.214 nan 8.370 nan 0.000 0.528 283 M N -2.749 116.852 119.600 0.001 0.000 2.412 283 M HA 0.321 4.801 4.480 -0.000 0.000 0.315 283 M C 1.273 177.578 176.300 0.009 0.000 1.092 283 M CA -0.363 54.921 55.300 -0.027 0.000 0.974 283 M CB -0.584 31.909 32.600 -0.178 0.000 1.437 283 M HN -0.192 nan 8.290 nan 0.000 0.524 284 C N 1.536 120.872 119.300 0.060 0.000 2.403 284 C HA -0.059 4.401 4.460 -0.000 0.000 0.277 284 C C 2.852 177.892 174.990 0.083 0.000 1.248 284 C CA 1.820 60.879 59.018 0.068 0.000 1.762 284 C CB -1.538 26.237 27.740 0.058 0.000 2.014 284 C HN 0.850 nan 8.230 nan 0.000 0.486 285 G N 0.255 109.128 108.800 0.122 0.000 2.446 285 G HA2 -0.117 3.843 3.960 -0.000 0.000 0.217 285 G HA3 -0.117 3.843 3.960 -0.000 0.000 0.217 285 G C 1.878 176.872 174.900 0.157 0.000 1.168 285 G CA 1.166 46.376 45.100 0.182 0.000 0.771 285 G HN 0.633 nan 8.290 nan 0.000 0.551 286 A N 1.071 123.987 122.820 0.159 0.000 1.898 286 A HA 0.319 4.639 4.320 -0.000 0.000 0.216 286 A C 2.833 180.526 177.584 0.181 0.000 1.181 286 A CA 2.201 54.352 52.037 0.191 0.000 0.620 286 A CB -0.811 18.365 19.000 0.295 0.000 0.819 286 A HN 0.823 nan 8.150 nan 0.000 0.442 287 A N 0.437 123.356 122.820 0.165 0.000 1.908 287 A HA -0.214 4.106 4.320 -0.000 0.000 0.218 287 A C 1.862 179.506 177.584 0.100 0.000 1.181 287 A CA 1.977 54.118 52.037 0.173 0.000 0.627 287 A CB -0.652 18.442 19.000 0.155 0.000 0.818 287 A HN 0.539 nan 8.150 nan 0.000 0.445 288 N N -0.080 118.631 118.700 0.019 0.000 2.270 288 N HA -0.072 4.668 4.740 -0.000 0.000 0.181 288 N C 1.543 176.947 175.510 -0.178 0.000 1.016 288 N CA 1.286 54.282 53.050 -0.091 0.000 0.870 288 N CB -0.498 37.901 38.487 -0.146 0.000 0.979 288 N HN 0.261 nan 8.380 nan 0.000 0.431 289 V N 0.422 120.250 119.914 -0.143 0.000 2.295 289 V HA -0.158 3.962 4.120 -0.000 0.000 0.246 289 V C 2.309 178.384 176.094 -0.031 0.000 1.049 289 V CA 1.102 63.327 62.300 -0.126 0.000 1.024 289 V CB -0.475 31.348 31.823 0.001 0.000 0.648 289 V HN 0.069 nan 8.190 nan 0.000 0.447 290 V N 0.980 120.915 119.914 0.035 0.000 2.332 290 V HA -0.226 3.893 4.120 -0.000 0.000 0.248 290 V C 2.631 178.808 176.094 0.138 0.000 1.055 290 V CA 2.269 64.642 62.300 0.122 0.000 1.038 290 V CB -1.477 30.416 31.823 0.116 0.000 0.651 290 V HN 0.619 nan 8.190 nan 0.000 0.450 291 G N -0.212 108.628 108.800 0.066 0.000 2.418 291 G HA2 -0.222 3.738 3.960 -0.000 0.000 0.217 291 G HA3 -0.222 3.738 3.960 -0.000 0.000 0.217 291 G C 1.583 176.481 174.900 -0.004 0.000 1.158 291 G CA 1.064 46.181 45.100 0.029 0.000 0.771 291 G HN 0.492 nan 8.290 nan 0.000 0.545 292 I N 0.515 121.050 120.570 -0.058 0.000 2.179 292 I HA -0.150 4.020 4.170 -0.000 0.000 0.242 292 I C 2.647 178.735 176.117 -0.048 0.000 1.088 292 I CA 0.909 62.164 61.300 -0.075 0.000 1.357 292 I CB -0.178 37.740 38.000 -0.137 0.000 1.051 292 I HN 0.146 nan 8.210 nan 0.000 0.409 293 I N 0.398 120.949 120.570 -0.032 0.000 2.315 293 I HA -0.267 3.903 4.170 -0.000 0.000 0.248 293 I C 2.581 178.664 176.117 -0.057 0.000 1.117 293 I CA 1.224 62.473 61.300 -0.086 0.000 1.404 293 I CB -0.325 37.611 38.000 -0.106 0.000 1.071 293 I HN 0.228 nan 8.210 nan 0.000 0.419 294 E N 1.667 121.955 120.200 0.148 0.000 2.085 294 E HA -0.236 4.113 4.350 -0.000 0.000 0.194 294 E C 2.110 178.743 176.600 0.055 0.000 0.994 294 E CA 1.884 58.423 56.400 0.231 0.000 0.801 294 E CB -0.165 29.680 29.700 0.242 0.000 0.743 294 E HN 0.424 nan 8.360 nan 0.000 0.453 295 A N 0.765 123.585 122.820 0.000 0.000 1.873 295 A HA 0.033 4.352 4.320 -0.000 0.000 0.215 295 A C 2.476 180.012 177.584 -0.081 0.000 1.186 295 A CA 1.987 54.005 52.037 -0.032 0.000 0.616 295 A CB -1.086 17.896 19.000 -0.030 0.000 0.823 295 A HN 0.413 nan 8.150 nan 0.000 0.442 296 A N 0.372 123.109 122.820 -0.139 0.000 1.933 296 A HA -0.115 4.204 4.320 -0.000 0.000 0.218 296 A C 2.525 179.879 177.584 -0.383 0.000 1.175 296 A CA 2.482 54.392 52.037 -0.211 0.000 0.628 296 A CB -0.920 17.945 19.000 -0.224 0.000 0.814 296 A HN 0.965 nan 8.150 nan 0.000 0.444 297 S N -0.450 114.922 115.700 -0.546 0.000 2.387 297 S HA -0.099 4.370 4.470 -0.000 0.000 0.226 297 S C 1.987 176.510 174.600 -0.129 0.000 1.026 297 S CA 1.006 58.885 58.200 -0.535 0.000 0.972 297 S CB -0.401 62.540 63.200 -0.431 0.000 0.814 297 S HN 0.586 nan 8.310 nan 0.000 0.477 298 R N 0.647 121.102 120.500 -0.076 0.000 2.148 298 R HA 0.252 4.591 4.340 -0.000 0.000 0.223 298 R C 1.888 178.172 176.300 -0.027 0.000 1.088 298 R CA 1.001 57.086 56.100 -0.026 0.000 0.985 298 R CB -0.404 29.889 30.300 -0.011 0.000 0.880 298 R HN 0.426 nan 8.270 nan 0.000 0.451 299 L N 0.436 121.637 121.223 -0.037 0.000 2.558 299 L HA 0.027 4.367 4.340 -0.000 0.000 0.225 299 L C 0.216 177.087 176.870 0.001 0.000 1.128 299 L CA 0.244 55.069 54.840 -0.024 0.000 0.868 299 L CB -0.127 41.917 42.059 -0.026 0.000 1.006 299 L HN 0.229 nan 8.230 nan 0.000 0.454 300 Q N 0.803 120.620 119.800 0.030 0.000 2.451 300 Q HA -0.186 4.154 4.340 -0.000 0.000 0.305 300 Q C -0.449 175.623 176.000 0.120 0.000 1.345 300 Q CA 0.249 56.117 55.803 0.109 0.000 0.854 300 Q CB -1.618 27.159 28.738 0.065 0.000 1.162 300 Q HN 0.463 nan 8.270 nan 0.000 0.440 301 L N 1.586 122.894 121.223 0.141 0.000 2.416 301 L HA 0.177 4.517 4.340 -0.000 0.000 0.272 301 L C -1.257 175.693 176.870 0.134 0.000 1.161 301 L CA -1.616 53.289 54.840 0.108 0.000 0.845 301 L CB 0.055 42.161 42.059 0.079 0.000 1.119 301 L HN 0.016 nan 8.230 nan 0.000 0.464 302 P HA 0.074 nan 4.420 nan 0.000 0.226 302 P C -0.791 176.498 177.300 -0.018 0.000 1.783 302 P CA 0.105 63.202 63.100 -0.006 0.000 0.980 302 P CB -0.243 31.442 31.700 -0.026 0.000 1.967 303 V N -1.360 118.565 119.914 0.019 0.000 2.925 303 V HA 0.598 4.718 4.120 -0.000 0.000 0.311 303 V C -0.597 175.485 176.094 -0.021 0.000 1.104 303 V CA -1.181 61.127 62.300 0.014 0.000 0.954 303 V CB 2.432 34.288 31.823 0.056 0.000 1.022 303 V HN -0.078 nan 8.190 nan 0.000 0.427 304 N N 2.810 121.491 118.700 -0.033 0.000 2.426 304 N HA 0.725 5.465 4.740 -0.000 0.000 0.275 304 N C -0.916 174.615 175.510 0.034 0.000 1.019 304 N CA -0.155 52.862 53.050 -0.054 0.000 0.941 304 N CB 1.527 39.975 38.487 -0.065 0.000 1.123 304 N HN 0.790 nan 8.380 nan 0.000 0.486 305 I N 1.016 121.629 120.570 0.071 0.000 2.498 305 I HA 0.327 4.497 4.170 -0.000 0.000 0.290 305 I C -0.568 175.543 176.117 -0.010 0.000 1.032 305 I CA -1.098 60.250 61.300 0.081 0.000 1.073 305 I CB 2.415 40.507 38.000 0.153 0.000 1.251 305 I HN 0.025 nan 8.210 nan 0.000 0.426 306 V N 5.551 125.420 119.914 -0.075 0.000 2.409 306 V HA 0.785 4.905 4.120 -0.000 0.000 0.291 306 V C 0.019 176.040 176.094 -0.122 0.000 1.020 306 V CA -0.077 62.103 62.300 -0.199 0.000 0.848 306 V CB 1.499 33.033 31.823 -0.483 0.000 0.990 306 V HN 0.836 nan 8.190 nan 0.000 0.430 307 G N 5.533 114.275 108.800 -0.097 0.000 2.368 307 G HA2 0.597 4.557 3.960 -0.000 0.000 0.320 307 G HA3 0.597 4.557 3.960 -0.000 0.000 0.320 307 G C -1.208 173.690 174.900 -0.002 0.000 1.158 307 G CA -0.419 44.666 45.100 -0.026 0.000 0.912 307 G HN 0.810 nan 8.290 nan 0.000 0.456 308 V N 3.588 123.540 119.914 0.064 0.000 2.444 308 V HA 0.458 4.578 4.120 -0.000 0.000 0.294 308 V C -0.173 175.987 176.094 0.111 0.000 1.022 308 V CA -0.605 61.769 62.300 0.123 0.000 0.850 308 V CB 1.341 33.306 31.823 0.237 0.000 0.992 308 V HN 0.609 nan 8.190 nan 0.000 0.426 309 L N 4.262 125.524 121.223 0.065 0.000 2.325 309 L HA 0.798 5.137 4.340 -0.000 0.000 0.281 309 L C 0.285 177.184 176.870 0.049 0.000 1.004 309 L CA -0.695 54.184 54.840 0.065 0.000 0.823 309 L CB 1.841 43.907 42.059 0.012 0.000 1.236 309 L HN 0.687 nan 8.230 nan 0.000 0.415 310 A N 3.029 125.900 122.820 0.085 0.000 2.366 310 A HA 0.557 4.877 4.320 -0.000 0.000 0.322 310 A C -0.346 177.285 177.584 0.078 0.000 1.397 310 A CA -0.336 51.739 52.037 0.062 0.000 0.984 310 A CB 0.032 19.085 19.000 0.088 0.000 1.149 310 A HN 0.775 nan 8.150 nan 0.000 0.540 311 C N 2.534 121.871 119.300 0.062 0.000 2.303 311 C HA 0.912 5.372 4.460 -0.000 0.000 0.326 311 C C 0.710 175.736 174.990 0.060 0.000 1.285 311 C CA 0.032 59.110 59.018 0.100 0.000 1.675 311 C CB -0.003 27.834 27.740 0.161 0.000 2.289 311 C HN 1.094 nan 8.230 nan 0.000 0.512 312 A N 2.549 125.401 122.820 0.053 0.000 2.599 312 A HA 0.806 5.125 4.320 -0.000 0.000 0.290 312 A C -1.514 176.091 177.584 0.034 0.000 1.101 312 A CA -0.465 51.591 52.037 0.032 0.000 0.674 312 A CB 1.147 20.160 19.000 0.021 0.000 1.277 312 A HN 0.781 nan 8.150 nan 0.000 0.419 313 E N 0.850 121.070 120.200 0.033 0.000 2.185 313 E HA 0.290 4.640 4.350 -0.000 0.000 0.261 313 E C -1.204 175.422 176.600 0.043 0.000 0.879 313 E CA -0.630 55.805 56.400 0.057 0.000 0.756 313 E CB 0.896 30.646 29.700 0.084 0.000 1.152 313 E HN 0.541 nan 8.360 nan 0.000 0.416 314 N N 5.731 124.457 118.700 0.044 0.000 2.448 314 N HA 0.130 4.870 4.740 -0.000 0.000 0.250 314 N C -0.995 174.536 175.510 0.034 0.000 1.136 314 N CA 0.285 53.348 53.050 0.021 0.000 0.953 314 N CB 0.231 38.715 38.487 -0.006 0.000 1.251 314 N HN 0.499 nan 8.380 nan 0.000 0.502 315 M N 2.228 121.835 119.600 0.012 0.000 2.727 315 M HA 0.485 4.964 4.480 -0.000 0.000 0.300 315 M C -0.267 175.993 176.300 -0.067 0.000 1.246 315 M CA -0.772 54.521 55.300 -0.011 0.000 0.835 315 M CB 1.647 34.240 32.600 -0.012 0.000 1.755 315 M HN 0.148 nan 8.290 nan 0.000 0.473 316 I N 2.476 122.966 120.570 -0.133 0.000 2.354 316 I HA 0.357 4.526 4.170 -0.000 0.000 0.292 316 I C -0.112 175.914 176.117 -0.151 0.000 0.989 316 I CA -0.352 60.787 61.300 -0.269 0.000 1.188 316 I CB 1.125 38.848 38.000 -0.461 0.000 1.342 316 I HN 0.712 nan 8.210 nan 0.000 0.457 317 N N 4.601 123.264 118.700 -0.061 0.000 3.364 317 N HA 0.072 4.812 4.740 -0.000 0.000 0.294 317 N C 0.233 175.818 175.510 0.126 0.000 1.562 317 N CA -0.753 52.306 53.050 0.015 0.000 0.862 317 N CB 0.449 38.935 38.487 -0.001 0.000 1.691 317 N HN 0.584 nan 8.380 nan 0.000 0.572 318 E N -1.028 119.228 120.200 0.094 0.000 2.267 318 E HA -0.011 4.338 4.350 -0.000 0.000 0.197 318 E C 0.657 177.326 176.600 0.115 0.000 0.998 318 E CA 1.508 57.971 56.400 0.105 0.000 0.830 318 E CB -0.108 29.628 29.700 0.061 0.000 0.751 318 E HN 0.562 nan 8.360 nan 0.000 0.491 319 A N 1.182 124.074 122.820 0.120 0.000 2.630 319 A HA 0.229 4.549 4.320 -0.000 0.000 0.287 319 A C 0.439 178.111 177.584 0.146 0.000 1.040 319 A CA -0.134 51.973 52.037 0.115 0.000 0.971 319 A CB 0.353 19.406 19.000 0.089 0.000 1.241 319 A HN 0.241 nan 8.150 nan 0.000 0.558 320 S N 0.455 116.274 115.700 0.199 0.000 2.614 320 S HA 0.532 5.001 4.470 -0.000 0.000 0.265 320 S C 0.631 175.384 174.600 0.253 0.000 1.303 320 S CA -0.293 58.030 58.200 0.205 0.000 1.000 320 S CB 0.100 63.411 63.200 0.185 0.000 0.935 320 S HN 0.710 nan 8.310 nan 0.000 0.551 321 M N 0.355 120.092 119.600 0.228 0.000 2.252 321 M HA 0.395 4.875 4.480 -0.000 0.000 0.333 321 M C -0.736 175.710 176.300 0.244 0.000 1.111 321 M CA 0.256 55.722 55.300 0.277 0.000 1.140 321 M CB -0.175 32.573 32.600 0.246 0.000 1.538 321 M HN 0.581 nan 8.290 nan 0.000 0.448 322 K N 1.809 122.305 120.400 0.159 0.000 2.435 322 K HA 0.642 4.961 4.320 -0.000 0.000 0.251 322 K C -2.889 173.732 176.600 0.034 0.000 0.954 322 K CA -1.980 54.322 56.287 0.026 0.000 0.820 322 K CB 1.493 33.906 32.500 -0.146 0.000 1.292 322 K HN 0.333 nan 8.250 nan 0.000 0.436 323 P HA -0.024 nan 4.420 nan 0.000 0.265 323 P C -0.634 176.651 177.300 -0.026 0.000 1.193 323 P CA 0.772 63.872 63.100 -0.001 0.000 0.765 323 P CB 0.332 32.025 31.700 -0.012 0.000 0.823 324 D N -0.808 119.579 120.400 -0.022 0.000 2.277 324 D HA -0.117 4.523 4.640 -0.000 0.000 0.167 324 D C -0.242 176.002 176.300 -0.093 0.000 0.974 324 D CA 0.894 54.866 54.000 -0.046 0.000 1.013 324 D CB -1.484 39.285 40.800 -0.052 0.000 1.086 324 D HN 0.400 nan 8.370 nan 0.000 0.498 325 D N 0.610 120.939 120.400 -0.119 0.000 2.455 325 D HA 0.276 4.915 4.640 -0.000 0.000 0.241 325 D C 0.200 176.244 176.300 -0.426 0.000 1.138 325 D CA 0.374 54.185 54.000 -0.315 0.000 0.877 325 D CB 1.008 41.623 40.800 -0.309 0.000 1.187 325 D HN -0.096 nan 8.370 nan 0.000 0.451 326 V N 3.768 123.335 119.914 -0.578 0.000 2.448 326 V HA 0.450 4.570 4.120 -0.000 0.000 0.295 326 V C -0.394 175.351 176.094 -0.582 0.000 1.025 326 V CA -0.681 61.378 62.300 -0.401 0.000 0.859 326 V CB 0.794 32.511 31.823 -0.177 0.000 0.988 326 V HN 0.307 nan 8.190 nan 0.000 0.431 327 F N 1.005 120.988 119.950 0.055 0.000 2.579 327 F HA 0.625 5.152 4.527 -0.000 0.000 0.324 327 F C 0.592 176.422 175.800 0.050 0.000 1.058 327 F CA -0.823 57.209 58.000 0.053 0.000 0.944 327 F CB 2.040 41.078 39.000 0.063 0.000 1.245 327 F HN 0.267 nan 8.300 nan 0.000 0.477 328 T N 1.896 116.597 114.554 0.244 0.000 2.743 328 T HA 0.638 4.988 4.350 -0.000 0.000 0.292 328 T C 0.181 174.940 174.700 0.098 0.000 0.972 328 T CA -0.597 61.580 62.100 0.128 0.000 0.967 328 T CB 0.944 69.856 68.868 0.074 0.000 0.926 328 T HN 0.752 nan 8.240 nan 0.000 0.459 329 A N 2.579 125.445 122.820 0.076 0.000 2.366 329 A HA 0.429 4.749 4.320 -0.000 0.000 0.250 329 A C 1.603 179.123 177.584 -0.107 0.000 1.099 329 A CA -0.472 51.573 52.037 0.013 0.000 0.794 329 A CB -0.050 19.005 19.000 0.092 0.000 1.056 329 A HN 0.836 nan 8.150 nan 0.000 0.499 330 L N 1.133 122.233 121.223 -0.205 0.000 2.131 330 L HA -0.138 4.202 4.340 -0.000 0.000 0.210 330 L C 2.652 179.200 176.870 -0.536 0.000 1.092 330 L CA 2.771 57.415 54.840 -0.327 0.000 0.759 330 L CB -0.562 41.271 42.059 -0.377 0.000 0.903 330 L HN 0.855 nan 8.230 nan 0.000 0.435 331 S N -1.251 113.959 115.700 -0.818 0.000 2.447 331 S HA 0.089 4.559 4.470 -0.000 0.000 0.233 331 S C 1.723 176.051 174.600 -0.454 0.000 1.006 331 S CA 0.727 58.204 58.200 -1.207 0.000 0.957 331 S CB -0.420 62.296 63.200 -0.806 0.000 0.773 331 S HN 0.778 nan 8.310 nan 0.000 0.507 332 G N 0.352 109.009 108.800 -0.239 0.000 2.195 332 G HA2 -0.215 3.745 3.960 -0.000 0.000 0.224 332 G HA3 -0.215 3.745 3.960 -0.000 0.000 0.224 332 G C -0.215 174.650 174.900 -0.058 0.000 0.990 332 G CA 0.033 45.067 45.100 -0.109 0.000 0.639 332 G HN 0.602 nan 8.290 nan 0.000 0.514 333 E N 1.634 121.801 120.200 -0.055 0.000 2.366 333 E HA 0.467 4.817 4.350 -0.000 0.000 0.266 333 E C 0.703 177.330 176.600 0.045 0.000 1.051 333 E CA 0.395 56.788 56.400 -0.011 0.000 0.884 333 E CB 0.683 30.364 29.700 -0.031 0.000 1.006 333 E HN 0.388 nan 8.360 nan 0.000 0.417 334 T N -1.254 113.326 114.554 0.044 0.000 2.845 334 T HA 0.444 4.794 4.350 -0.000 0.000 0.288 334 T C -0.178 174.590 174.700 0.113 0.000 0.980 334 T CA -0.888 61.255 62.100 0.073 0.000 1.071 334 T CB 0.873 69.764 68.868 0.039 0.000 0.941 334 T HN 0.106 nan 8.240 nan 0.000 0.487 335 V N 2.884 122.900 119.914 0.169 0.000 2.483 335 V HA 0.405 4.524 4.120 -0.000 0.000 0.297 335 V C 0.103 176.308 176.094 0.185 0.000 1.027 335 V CA -0.925 61.517 62.300 0.237 0.000 0.855 335 V CB 1.469 33.513 31.823 0.369 0.000 0.995 335 V HN 1.041 nan 8.190 nan 0.000 0.424 336 E N 3.672 123.960 120.200 0.148 0.000 2.229 336 E HA 0.421 4.771 4.350 -0.000 0.000 0.283 336 E C -1.120 175.555 176.600 0.125 0.000 1.030 336 E CA -0.426 56.028 56.400 0.090 0.000 0.836 336 E CB 1.586 31.324 29.700 0.064 0.000 1.068 336 E HN 0.506 nan 8.360 nan 0.000 0.401 337 V N 6.974 126.955 119.914 0.112 0.000 2.368 337 V HA 0.072 4.192 4.120 -0.000 0.000 0.266 337 V C 0.820 176.953 176.094 0.065 0.000 1.045 337 V CA -0.269 62.104 62.300 0.121 0.000 0.899 337 V CB 1.184 33.134 31.823 0.212 0.000 1.006 337 V HN 0.877 nan 8.190 nan 0.000 0.470 338 M N 2.854 122.484 119.600 0.050 0.000 2.367 338 M HA 0.292 4.772 4.480 -0.000 0.000 0.256 338 M C 0.401 176.674 176.300 -0.044 0.000 1.091 338 M CA 0.426 55.742 55.300 0.027 0.000 1.049 338 M CB -0.259 32.383 32.600 0.069 0.000 1.406 338 M HN 0.665 nan 8.290 nan 0.000 0.498 339 N N 0.313 118.956 118.700 -0.096 0.000 2.549 339 N HA 0.137 4.876 4.740 -0.000 0.000 0.290 339 N C 0.442 175.884 175.510 -0.113 0.000 1.122 339 N CA 0.169 53.090 53.050 -0.216 0.000 0.885 339 N CB 1.324 39.427 38.487 -0.640 0.000 1.455 339 N HN 0.065 nan 8.380 nan 0.000 0.521 340 T N -0.895 113.630 114.554 -0.048 0.000 3.072 340 T HA -0.046 4.304 4.350 -0.000 0.000 0.266 340 T C 0.989 175.670 174.700 -0.032 0.000 1.127 340 T CA 0.772 62.872 62.100 0.000 0.000 1.107 340 T CB 0.076 68.983 68.868 0.065 0.000 0.910 340 T HN 0.314 nan 8.240 nan 0.000 0.513 341 D N 1.752 122.109 120.400 -0.073 0.000 2.355 341 D HA 0.205 4.845 4.640 -0.000 0.000 0.218 341 D C 1.263 177.521 176.300 -0.069 0.000 1.004 341 D CA 0.204 54.161 54.000 -0.072 0.000 0.880 341 D CB -0.302 40.449 40.800 -0.083 0.000 0.911 341 D HN 0.547 nan 8.370 nan 0.000 0.528 342 A N 1.101 123.870 122.820 -0.086 0.000 3.197 342 A HA 0.109 4.429 4.320 -0.000 0.000 0.263 342 A C 1.473 179.022 177.584 -0.058 0.000 1.524 342 A CA -0.281 51.718 52.037 -0.062 0.000 1.176 342 A CB -0.344 18.617 19.000 -0.065 0.000 1.096 342 A HN 0.184 nan 8.150 nan 0.000 0.655 343 E N 0.123 120.302 120.200 -0.035 0.000 2.230 343 E HA -0.053 4.297 4.350 -0.000 0.000 0.192 343 E C 1.528 178.126 176.600 -0.003 0.000 0.987 343 E CA 1.257 57.645 56.400 -0.020 0.000 0.841 343 E CB -0.798 28.893 29.700 -0.015 0.000 0.783 343 E HN 0.372 nan 8.360 nan 0.000 0.481 344 G N 2.879 111.685 108.800 0.009 0.000 2.421 344 G HA2 -0.338 3.621 3.960 -0.000 0.000 0.216 344 G HA3 -0.338 3.621 3.960 -0.000 0.000 0.216 344 G C 1.881 176.815 174.900 0.057 0.000 1.171 344 G CA 1.409 46.536 45.100 0.045 0.000 0.775 344 G HN 0.449 nan 8.290 nan 0.000 0.543 345 R N 0.301 120.817 120.500 0.027 0.000 2.152 345 R HA 0.102 4.442 4.340 -0.000 0.000 0.232 345 R C 2.294 178.676 176.300 0.136 0.000 1.117 345 R CA 1.075 57.212 56.100 0.062 0.000 0.981 345 R CB -0.624 29.644 30.300 -0.052 0.000 0.870 345 R HN 0.396 nan 8.270 nan 0.000 0.451 346 L N 1.576 122.829 121.223 0.050 0.000 2.044 346 L HA -0.107 4.233 4.340 -0.000 0.000 0.205 346 L C 2.741 179.638 176.870 0.045 0.000 1.075 346 L CA 1.151 56.043 54.840 0.086 0.000 0.747 346 L CB -0.497 41.582 42.059 0.032 0.000 0.903 346 L HN 0.149 nan 8.230 nan 0.000 0.435 347 V N -2.603 117.338 119.914 0.045 0.000 2.515 347 V HA -0.184 3.936 4.120 -0.000 0.000 0.250 347 V C 2.209 178.349 176.094 0.077 0.000 1.058 347 V CA 1.220 63.555 62.300 0.058 0.000 1.064 347 V CB -0.636 31.223 31.823 0.060 0.000 0.675 347 V HN 0.326 nan 8.190 nan 0.000 0.461 348 L N 0.690 121.963 121.223 0.084 0.000 2.093 348 L HA -0.000 4.339 4.340 -0.000 0.000 0.208 348 L C 3.044 179.941 176.870 0.045 0.000 1.085 348 L CA 1.493 56.397 54.840 0.107 0.000 0.755 348 L CB -0.847 41.295 42.059 0.138 0.000 0.904 348 L HN 0.417 nan 8.230 nan 0.000 0.435 349 A N -0.000 122.758 122.820 -0.102 0.000 1.883 349 A HA -0.265 4.054 4.320 -0.000 0.000 0.217 349 A C 1.950 179.284 177.584 -0.416 0.000 1.186 349 A CA 2.219 53.908 52.037 -0.580 0.000 0.624 349 A CB -0.582 17.735 19.000 -1.138 0.000 0.822 349 A HN 0.335 nan 8.150 nan 0.000 0.444 350 D N -0.345 119.953 120.400 -0.169 0.000 2.144 350 D HA 0.014 4.654 4.640 -0.000 0.000 0.200 350 D C 2.218 178.677 176.300 0.264 0.000 0.978 350 D CA 1.436 55.463 54.000 0.045 0.000 0.833 350 D CB -0.335 40.560 40.800 0.158 0.000 0.961 350 D HN 0.414 nan 8.370 nan 0.000 0.470 351 A N 0.251 123.219 122.820 0.247 0.000 1.897 351 A HA -0.090 4.230 4.320 -0.000 0.000 0.215 351 A C 2.473 180.245 177.584 0.313 0.000 1.181 351 A CA 0.937 53.163 52.037 0.316 0.000 0.620 351 A CB -0.626 18.509 19.000 0.225 0.000 0.821 351 A HN 0.132 nan 8.150 nan 0.000 0.443 352 V N -1.331 118.724 119.914 0.236 0.000 2.358 352 V HA -0.219 3.901 4.120 -0.000 0.000 0.246 352 V C 2.259 178.500 176.094 0.244 0.000 1.047 352 V CA 2.081 64.509 62.300 0.212 0.000 1.035 352 V CB -0.863 31.113 31.823 0.255 0.000 0.658 352 V HN 0.622 nan 8.190 nan 0.000 0.452 353 F N -0.179 119.872 119.950 0.169 0.000 2.134 353 F HA -0.241 4.286 4.527 -0.000 0.000 0.299 353 F C 2.284 178.179 175.800 0.158 0.000 1.097 353 F CA 1.956 60.053 58.000 0.163 0.000 1.264 353 F CB -0.417 38.686 39.000 0.173 0.000 1.001 353 F HN 0.267 nan 8.300 nan 0.000 0.479 354 Y N 0.534 120.955 120.300 0.203 0.000 2.242 354 Y HA -0.088 4.462 4.550 -0.000 0.000 0.291 354 Y C 2.297 178.308 175.900 0.185 0.000 1.137 354 Y CA 1.355 59.564 58.100 0.182 0.000 1.181 354 Y CB -0.882 37.805 38.460 0.378 0.000 0.989 354 Y HN 0.053 nan 8.280 nan 0.000 0.527 355 A N 0.176 123.090 122.820 0.155 0.000 1.972 355 A HA -0.221 4.099 4.320 -0.000 0.000 0.219 355 A C 2.038 179.632 177.584 0.017 0.000 1.169 355 A CA 1.799 53.882 52.037 0.076 0.000 0.635 355 A CB -0.867 18.180 19.000 0.078 0.000 0.810 355 A HN 0.554 nan 8.150 nan 0.000 0.446 356 N N -0.116 118.538 118.700 -0.077 0.000 2.459 356 N HA -0.101 4.639 4.740 -0.000 0.000 0.181 356 N C 1.751 177.138 175.510 -0.205 0.000 1.046 356 N CA 0.894 53.858 53.050 -0.143 0.000 0.904 356 N CB -0.207 38.161 38.487 -0.198 0.000 0.964 356 N HN 0.500 nan 8.380 nan 0.000 0.444 357 Q N -0.887 118.741 119.800 -0.286 0.000 2.170 357 Q HA -0.136 4.204 4.340 -0.000 0.000 0.203 357 Q C 0.930 176.735 176.000 -0.325 0.000 0.976 357 Q CA 1.000 56.591 55.803 -0.353 0.000 0.858 357 Q CB -0.329 28.133 28.738 -0.459 0.000 0.907 357 Q HN 0.618 nan 8.270 nan 0.000 0.433 358 Y N 1.162 121.319 120.300 -0.239 0.000 2.632 358 Y HA -0.036 4.514 4.550 -0.000 0.000 0.301 358 Y C 0.314 176.142 175.900 -0.119 0.000 1.172 358 Y CA 0.251 58.250 58.100 -0.168 0.000 1.328 358 Y CB -0.062 38.302 38.460 -0.160 0.000 1.016 358 Y HN 0.172 nan 8.280 nan 0.000 0.529 359 Q N -0.186 119.607 119.800 -0.012 0.000 2.453 359 Q HA -0.194 4.146 4.340 -0.000 0.000 0.350 359 Q C -2.614 173.390 176.000 0.008 0.000 1.447 359 Q CA -0.344 55.444 55.803 -0.025 0.000 0.968 359 Q CB -1.329 27.385 28.738 -0.040 0.000 1.175 359 Q HN 0.265 nan 8.270 nan 0.000 0.354 360 P HA 0.062 nan 4.420 nan 0.000 0.278 360 P C 0.540 177.852 177.300 0.020 0.000 1.258 360 P CA -0.207 62.905 63.100 0.020 0.000 0.811 360 P CB 1.028 32.735 31.700 0.011 0.000 1.063 361 S N -0.037 115.688 115.700 0.042 0.000 2.414 361 S HA 0.080 4.550 4.470 -0.000 0.000 0.227 361 S C 0.724 175.363 174.600 0.066 0.000 1.022 361 S CA 0.527 58.760 58.200 0.054 0.000 0.958 361 S CB -0.312 62.931 63.200 0.073 0.000 0.797 361 S HN 0.393 nan 8.310 nan 0.000 0.493 362 V N 0.420 120.377 119.914 0.072 0.000 3.048 362 V HA 0.554 4.674 4.120 -0.000 0.000 0.303 362 V C -2.009 174.086 176.094 0.001 0.000 1.214 362 V CA -1.213 61.117 62.300 0.051 0.000 0.984 362 V CB 2.172 34.056 31.823 0.100 0.000 1.054 362 V HN 0.432 nan 8.190 nan 0.000 0.430 363 I N 6.261 126.780 120.570 -0.085 0.000 2.378 363 I HA 0.536 4.706 4.170 -0.000 0.000 0.291 363 I C -0.354 175.640 176.117 -0.205 0.000 0.992 363 I CA -0.384 60.800 61.300 -0.194 0.000 1.154 363 I CB 1.845 39.592 38.000 -0.422 0.000 1.315 363 I HN 0.463 nan 8.210 nan 0.000 0.448 364 M N 5.828 125.373 119.600 -0.091 0.000 2.190 364 M HA 0.306 4.786 4.480 -0.000 0.000 0.312 364 M C -1.290 174.950 176.300 -0.099 0.000 0.990 364 M CA -0.684 54.563 55.300 -0.089 0.000 0.927 364 M CB 1.818 34.425 32.600 0.012 0.000 1.571 364 M HN 0.532 nan 8.290 nan 0.000 0.427 365 D N 1.720 122.051 120.400 -0.116 0.000 2.252 365 D HA 0.669 5.309 4.640 -0.000 0.000 0.245 365 D C -1.396 174.798 176.300 -0.177 0.000 1.009 365 D CA -0.387 53.632 54.000 0.031 0.000 0.870 365 D CB 1.183 42.147 40.800 0.273 0.000 1.251 365 D HN 0.277 nan 8.370 nan 0.000 0.460 366 F N 0.975 121.091 119.950 0.278 0.000 2.507 366 F HA 0.722 5.249 4.527 -0.000 0.000 0.328 366 F C 0.011 175.928 175.800 0.195 0.000 1.136 366 F CA -0.749 57.392 58.000 0.235 0.000 0.930 366 F CB 2.323 41.416 39.000 0.155 0.000 1.166 366 F HN 0.689 nan 8.300 nan 0.000 0.436 367 A N 0.765 123.774 122.820 0.315 0.000 2.566 367 A HA 0.650 4.970 4.320 -0.000 0.000 0.297 367 A C -0.522 177.176 177.584 0.190 0.000 1.059 367 A CA -0.880 51.305 52.037 0.247 0.000 0.691 367 A CB 1.073 20.237 19.000 0.273 0.000 1.282 367 A HN 0.704 nan 8.150 nan 0.000 0.401 368 T N 1.565 116.207 114.554 0.147 0.000 3.364 368 T HA 0.448 4.798 4.350 -0.000 0.000 0.323 368 T C 0.864 175.627 174.700 0.104 0.000 1.323 368 T CA -0.324 61.841 62.100 0.107 0.000 1.073 368 T CB -0.600 68.315 68.868 0.078 0.000 1.150 368 T HN 0.462 nan 8.240 nan 0.000 0.727 369 L N 1.724 123.028 121.223 0.134 0.000 2.115 369 L HA 0.190 4.529 4.340 -0.000 0.000 0.200 369 L C 1.017 177.947 176.870 0.100 0.000 1.094 369 L CA 0.588 55.508 54.840 0.133 0.000 0.769 369 L CB -0.214 41.966 42.059 0.201 0.000 0.931 369 L HN 0.507 nan 8.230 nan 0.000 0.455 370 T N -1.077 113.547 114.554 0.116 0.000 2.823 370 T HA 0.349 4.699 4.350 -0.000 0.000 0.279 370 T C 0.822 175.570 174.700 0.080 0.000 0.998 370 T CA -0.195 61.964 62.100 0.099 0.000 0.994 370 T CB 1.869 70.812 68.868 0.126 0.000 0.960 370 T HN 0.292 nan 8.240 nan 0.000 0.448 371 G N 1.090 109.926 108.800 0.060 0.000 2.422 371 G HA2 -0.008 3.952 3.960 -0.000 0.000 0.218 371 G HA3 -0.008 3.952 3.960 -0.000 0.000 0.218 371 G C 1.634 176.567 174.900 0.054 0.000 1.140 371 G CA 0.621 45.748 45.100 0.046 0.000 0.775 371 G HN 0.826 nan 8.290 nan 0.000 0.545 372 A N 1.138 123.999 122.820 0.067 0.000 1.972 372 A HA 0.290 4.610 4.320 -0.000 0.000 0.219 372 A C 2.755 180.393 177.584 0.090 0.000 1.169 372 A CA 2.018 54.098 52.037 0.072 0.000 0.635 372 A CB -0.583 18.464 19.000 0.078 0.000 0.810 372 A HN 0.684 nan 8.150 nan 0.000 0.446 373 A N 0.060 122.949 122.820 0.115 0.000 1.933 373 A HA -0.066 4.254 4.320 -0.000 0.000 0.218 373 A C 2.074 179.704 177.584 0.076 0.000 1.175 373 A CA 1.481 53.596 52.037 0.130 0.000 0.628 373 A CB -0.554 18.549 19.000 0.172 0.000 0.814 373 A HN 0.511 nan 8.150 nan 0.000 0.444 374 I N -0.422 120.180 120.570 0.055 0.000 2.252 374 I HA -0.187 3.983 4.170 -0.000 0.000 0.245 374 I C 2.253 178.383 176.117 0.023 0.000 1.102 374 I CA 0.976 62.292 61.300 0.027 0.000 1.385 374 I CB -0.333 37.676 38.000 0.015 0.000 1.064 374 I HN 0.133 nan 8.210 nan 0.000 0.414 375 V N 1.140 121.072 119.914 0.029 0.000 2.407 375 V HA -0.285 3.835 4.120 -0.000 0.000 0.248 375 V C 2.687 178.793 176.094 0.021 0.000 1.055 375 V CA 1.943 64.257 62.300 0.023 0.000 1.049 375 V CB -1.079 30.759 31.823 0.026 0.000 0.662 375 V HN 0.485 nan 8.190 nan 0.000 0.455 376 A N -0.255 122.585 122.820 0.033 0.000 1.841 376 A HA -0.036 4.284 4.320 -0.000 0.000 0.214 376 A C 2.034 179.621 177.584 0.004 0.000 1.195 376 A CA 1.701 53.754 52.037 0.026 0.000 0.611 376 A CB -0.325 18.706 19.000 0.052 0.000 0.835 376 A HN 0.500 nan 8.150 nan 0.000 0.443 377 L N -1.736 119.493 121.223 0.011 0.000 2.766 377 L HA 0.411 4.751 4.340 -0.000 0.000 0.242 377 L C 1.020 177.888 176.870 -0.004 0.000 1.136 377 L CA 0.213 55.050 54.840 -0.004 0.000 0.933 377 L CB -0.084 41.995 42.059 0.034 0.000 1.241 377 L HN 0.675 nan 8.230 nan 0.000 0.522 378 G N 0.813 109.612 108.800 -0.001 0.000 2.712 378 G HA2 -0.285 3.675 3.960 -0.000 0.000 0.683 378 G HA3 -0.285 3.675 3.960 -0.000 0.000 0.683 378 G C -0.193 174.699 174.900 -0.014 0.000 1.320 378 G CA -0.031 45.065 45.100 -0.006 0.000 0.847 378 G HN 0.216 nan 8.290 nan 0.000 0.553 379 D N -0.576 119.810 120.400 -0.024 0.000 2.317 379 D HA 0.045 4.685 4.640 -0.000 0.000 0.211 379 D C 1.824 178.071 176.300 -0.089 0.000 0.966 379 D CA 1.640 55.611 54.000 -0.048 0.000 0.876 379 D CB 0.155 40.931 40.800 -0.041 0.000 0.927 379 D HN 0.496 nan 8.370 nan 0.000 0.519 380 D N -1.036 119.326 120.400 -0.064 0.000 2.369 380 D HA 0.060 4.700 4.640 -0.000 0.000 0.211 380 D C -0.152 176.103 176.300 -0.075 0.000 1.077 380 D CA -0.026 53.926 54.000 -0.081 0.000 0.842 380 D CB 0.031 40.824 40.800 -0.011 0.000 0.947 380 D HN 0.053 nan 8.370 nan 0.000 0.509 381 K N 0.158 120.534 120.400 -0.041 0.000 2.318 381 K HA 0.741 5.061 4.320 -0.000 0.000 0.249 381 K C -0.886 175.721 176.600 0.012 0.000 0.942 381 K CA -1.012 55.318 56.287 0.072 0.000 0.808 381 K CB 2.685 35.319 32.500 0.223 0.000 1.189 381 K HN 0.016 nan 8.250 nan 0.000 0.428 382 A N 1.172 124.054 122.820 0.103 0.000 2.303 382 A HA 0.718 5.038 4.320 -0.000 0.000 0.317 382 A C -0.688 176.991 177.584 0.159 0.000 1.149 382 A CA -0.633 51.483 52.037 0.131 0.000 0.822 382 A CB 0.961 20.146 19.000 0.309 0.000 1.131 382 A HN 0.735 nan 8.150 nan 0.000 0.493 383 A N 1.020 123.911 122.820 0.118 0.000 2.276 383 A HA 0.691 5.010 4.320 -0.000 0.000 0.316 383 A C 0.217 177.749 177.584 -0.087 0.000 1.229 383 A CA 0.168 52.200 52.037 -0.009 0.000 0.851 383 A CB 0.307 19.324 19.000 0.028 0.000 1.165 383 A HN 2.026 nan 8.150 nan 0.000 0.513 384 A N 2.191 124.845 122.820 -0.278 0.000 2.330 384 A HA 0.848 5.168 4.320 -0.000 0.000 0.327 384 A C -1.080 176.157 177.584 -0.578 0.000 1.155 384 A CA -0.377 51.465 52.037 -0.325 0.000 0.803 384 A CB 0.474 19.388 19.000 -0.143 0.000 1.208 384 A HN 0.700 nan 8.150 nan 0.000 0.477 385 F N 0.700 120.520 119.950 -0.217 0.000 2.529 385 F HA 0.517 5.043 4.527 -0.000 0.000 0.320 385 F C 0.201 175.898 175.800 -0.172 0.000 1.118 385 F CA -0.545 57.385 58.000 -0.117 0.000 0.915 385 F CB 2.343 41.333 39.000 -0.016 0.000 1.161 385 F HN 0.707 nan 8.300 nan 0.000 0.445 386 E N 0.371 120.593 120.200 0.037 0.000 2.202 386 E HA 0.653 5.003 4.350 -0.000 0.000 0.272 386 E C -0.999 175.605 176.600 0.006 0.000 0.951 386 E CA -0.911 55.481 56.400 -0.013 0.000 0.813 386 E CB 2.047 31.728 29.700 -0.031 0.000 1.151 386 E HN 0.338 nan 8.360 nan 0.000 0.398 387 S N 2.752 118.450 115.700 -0.004 0.000 2.721 387 S HA 0.350 4.820 4.470 -0.000 0.000 0.264 387 S C -0.873 173.739 174.600 0.020 0.000 1.161 387 S CA -0.427 57.769 58.200 -0.006 0.000 1.113 387 S CB -0.932 62.238 63.200 -0.050 0.000 1.079 387 S HN 0.760 nan 8.310 nan 0.000 0.479 388 N N 1.984 120.691 118.700 0.012 0.000 2.741 388 N HA -0.169 4.571 4.740 -0.000 0.000 0.250 388 N C -0.451 175.073 175.510 0.023 0.000 1.115 388 N CA 1.055 54.115 53.050 0.016 0.000 0.724 388 N CB -1.376 37.120 38.487 0.016 0.000 1.090 388 N HN 0.631 nan 8.380 nan 0.000 0.558 389 S N -2.119 113.592 115.700 0.019 0.000 2.598 389 S HA 0.287 4.757 4.470 -0.000 0.000 0.209 389 S C 0.563 175.168 174.600 0.008 0.000 1.029 389 S CA -0.873 57.338 58.200 0.018 0.000 1.172 389 S CB 1.002 64.210 63.200 0.015 0.000 1.427 389 S HN 0.268 nan 8.310 nan 0.000 0.418 390 K N 0.977 121.385 120.400 0.013 0.000 2.097 390 K HA -0.023 4.297 4.320 -0.000 0.000 0.206 390 K C 1.544 178.156 176.600 0.020 0.000 1.049 390 K CA 1.744 58.038 56.287 0.011 0.000 0.933 390 K CB -0.185 32.324 32.500 0.015 0.000 0.717 390 K HN 0.431 nan 8.250 nan 0.000 0.442 391 V N 1.282 121.217 119.914 0.034 0.000 2.283 391 V HA -0.229 3.891 4.120 -0.000 0.000 0.243 391 V C 2.171 178.308 176.094 0.072 0.000 1.039 391 V CA 1.630 63.961 62.300 0.052 0.000 1.016 391 V CB -0.296 31.562 31.823 0.059 0.000 0.650 391 V HN 0.294 nan 8.190 nan 0.000 0.449 392 I N -0.350 120.268 120.570 0.079 0.000 2.286 392 I HA -0.243 3.927 4.170 -0.000 0.000 0.248 392 I C 2.378 178.498 176.117 0.005 0.000 1.115 392 I CA 1.252 62.611 61.300 0.099 0.000 1.392 392 I CB -0.346 37.710 38.000 0.093 0.000 1.065 392 I HN 0.306 nan 8.210 nan 0.000 0.418 393 L N 1.149 122.359 121.223 -0.020 0.000 2.017 393 L HA -0.205 4.135 4.340 -0.000 0.000 0.208 393 L C 2.072 178.939 176.870 -0.005 0.000 1.073 393 L CA 1.968 56.784 54.840 -0.040 0.000 0.745 393 L CB -0.842 41.182 42.059 -0.058 0.000 0.894 393 L HN 0.155 nan 8.230 nan 0.000 0.432 394 N N 0.159 118.868 118.700 0.015 0.000 2.149 394 N HA -0.196 4.544 4.740 -0.000 0.000 0.188 394 N C 1.478 177.013 175.510 0.043 0.000 1.019 394 N CA 1.561 54.627 53.050 0.026 0.000 0.857 394 N CB -0.391 38.115 38.487 0.033 0.000 0.997 394 N HN 0.448 nan 8.380 nan 0.000 0.426 395 D N 0.120 120.566 120.400 0.077 0.000 2.117 395 D HA -0.045 4.594 4.640 -0.000 0.000 0.198 395 D C 2.019 178.384 176.300 0.108 0.000 0.982 395 D CA 0.615 54.689 54.000 0.124 0.000 0.828 395 D CB -0.201 40.741 40.800 0.236 0.000 0.967 395 D HN 0.314 nan 8.370 nan 0.000 0.464 396 I N 0.540 121.139 120.570 0.047 0.000 2.252 396 I HA -0.198 3.972 4.170 -0.000 0.000 0.245 396 I C 2.334 178.448 176.117 -0.005 0.000 1.102 396 I CA 0.546 61.845 61.300 -0.000 0.000 1.385 396 I CB -0.069 37.892 38.000 -0.065 0.000 1.064 396 I HN -0.048 nan 8.210 nan 0.000 0.414 397 L N -0.137 121.079 121.223 -0.011 0.000 2.131 397 L HA -0.224 4.115 4.340 -0.000 0.000 0.210 397 L C 2.669 179.501 176.870 -0.065 0.000 1.092 397 L CA 1.071 55.874 54.840 -0.061 0.000 0.759 397 L CB -0.576 41.449 42.059 -0.058 0.000 0.903 397 L HN 0.334 nan 8.230 nan 0.000 0.435 398 Q N 0.086 119.876 119.800 -0.017 0.000 2.049 398 Q HA -0.114 4.225 4.340 -0.000 0.000 0.198 398 Q C 2.374 178.365 176.000 -0.016 0.000 0.971 398 Q CA 1.550 57.348 55.803 -0.008 0.000 0.833 398 Q CB -0.130 28.619 28.738 0.019 0.000 0.896 398 Q HN 0.518 nan 8.270 nan 0.000 0.434 399 I N 1.012 121.584 120.570 0.003 0.000 2.163 399 I HA -0.321 3.849 4.170 -0.000 0.000 0.243 399 I C 2.526 178.610 176.117 -0.056 0.000 1.085 399 I CA 1.531 62.827 61.300 -0.007 0.000 1.347 399 I CB -0.391 37.642 38.000 0.056 0.000 1.044 399 I HN 0.198 nan 8.210 nan 0.000 0.408 400 S N 0.384 116.040 115.700 -0.074 0.000 2.368 400 S HA -0.211 4.259 4.470 -0.000 0.000 0.225 400 S C 2.124 176.668 174.600 -0.095 0.000 1.030 400 S CA 1.409 59.540 58.200 -0.115 0.000 0.999 400 S CB -0.915 62.200 63.200 -0.143 0.000 0.844 400 S HN 0.561 nan 8.310 nan 0.000 0.459 401 S N 1.442 117.090 115.700 -0.087 0.000 2.474 401 S HA 0.002 4.472 4.470 -0.000 0.000 0.235 401 S C 1.557 176.148 174.600 -0.015 0.000 0.997 401 S CA 0.862 59.033 58.200 -0.049 0.000 0.949 401 S CB -0.506 62.666 63.200 -0.047 0.000 0.766 401 S HN 0.722 nan 8.310 nan 0.000 0.517 402 E N 0.712 120.883 120.200 -0.049 0.000 2.400 402 E HA 0.066 4.416 4.350 -0.000 0.000 0.195 402 E C 1.129 177.625 176.600 -0.173 0.000 1.012 402 E CA 0.713 57.065 56.400 -0.080 0.000 0.875 402 E CB 0.485 30.125 29.700 -0.100 0.000 0.859 402 E HN 0.635 nan 8.360 nan 0.000 0.498 403 V N -1.759 118.073 119.914 -0.137 0.000 3.043 403 V HA 0.227 4.346 4.120 -0.000 0.000 0.357 403 V C -0.186 175.994 176.094 0.143 0.000 1.372 403 V CA -0.104 62.112 62.300 -0.140 0.000 1.214 403 V CB -0.178 31.544 31.823 -0.169 0.000 1.224 403 V HN 0.076 nan 8.190 nan 0.000 0.507 404 D N 1.048 121.550 120.400 0.169 0.000 2.723 404 D HA -0.212 4.428 4.640 -0.000 0.000 0.236 404 D C 0.007 176.375 176.300 0.114 0.000 1.138 404 D CA 1.364 55.476 54.000 0.186 0.000 0.676 404 D CB -1.038 39.922 40.800 0.267 0.000 1.069 404 D HN 0.859 nan 8.370 nan 0.000 0.430 405 E N 0.372 120.582 120.200 0.018 0.000 2.220 405 E HA 0.274 4.624 4.350 -0.000 0.000 0.256 405 E C 0.033 176.667 176.600 0.057 0.000 0.881 405 E CA -0.714 55.654 56.400 -0.054 0.000 0.766 405 E CB 1.130 30.550 29.700 -0.466 0.000 1.187 405 E HN 0.277 nan 8.360 nan 0.000 0.419 406 M N 3.302 123.068 119.600 0.277 0.000 2.266 406 M HA 0.191 4.671 4.480 -0.000 0.000 0.340 406 M C -0.711 175.685 176.300 0.159 0.000 1.486 406 M CA -0.102 55.307 55.300 0.182 0.000 1.209 406 M CB 0.327 33.127 32.600 0.333 0.000 1.714 406 M HN 0.134 nan 8.290 nan 0.000 0.459 407 V N 4.973 124.757 119.914 -0.217 0.000 2.588 407 V HA 0.599 4.719 4.120 -0.000 0.000 0.304 407 V C -0.869 174.909 176.094 -0.526 0.000 1.042 407 V CA -0.663 61.559 62.300 -0.130 0.000 0.877 407 V CB 1.832 33.650 31.823 -0.008 0.000 0.996 407 V HN 0.583 nan 8.190 nan 0.000 0.425 408 F N 1.084 121.060 119.950 0.045 0.000 2.588 408 F HA 0.501 5.028 4.527 -0.000 0.000 0.314 408 F C 0.216 175.954 175.800 -0.104 0.000 1.069 408 F CA -0.733 57.257 58.000 -0.016 0.000 0.931 408 F CB 1.927 40.919 39.000 -0.014 0.000 1.260 408 F HN 0.476 nan 8.300 nan 0.000 0.465 409 E N 2.673 122.916 120.200 0.072 0.000 2.313 409 E HA 0.525 4.875 4.350 -0.000 0.000 0.276 409 E C -1.447 175.049 176.600 -0.174 0.000 1.031 409 E CA -0.245 56.088 56.400 -0.111 0.000 0.857 409 E CB 0.851 30.514 29.700 -0.061 0.000 1.040 409 E HN 0.542 nan 8.360 nan 0.000 0.408 410 L N 5.689 126.653 121.223 -0.433 0.000 2.341 410 L HA 0.557 4.897 4.340 -0.000 0.000 0.267 410 L C -2.205 174.587 176.870 -0.131 0.000 1.009 410 L CA -2.260 52.392 54.840 -0.314 0.000 0.819 410 L CB 2.036 43.852 42.059 -0.405 0.000 1.323 410 L HN 0.528 nan 8.230 nan 0.000 0.425 411 P HA 0.387 nan 4.420 nan 0.000 0.282 411 P C -1.081 176.359 177.300 0.232 0.000 1.259 411 P CA -0.376 62.801 63.100 0.128 0.000 0.826 411 P CB 1.460 33.207 31.700 0.077 0.000 1.064 412 I N 1.371 122.038 120.570 0.162 0.000 2.390 412 I HA 0.271 4.441 4.170 -0.000 0.000 0.283 412 I C 1.054 177.197 176.117 0.043 0.000 1.016 412 I CA -0.348 61.008 61.300 0.093 0.000 1.151 412 I CB 1.562 39.589 38.000 0.045 0.000 1.293 412 I HN 0.352 nan 8.210 nan 0.000 0.458 413 T N 1.871 116.446 114.554 0.035 0.000 2.889 413 T HA 0.577 4.927 4.350 -0.000 0.000 0.278 413 T C 1.296 175.997 174.700 0.001 0.000 0.995 413 T CA -0.100 62.013 62.100 0.021 0.000 0.966 413 T CB 1.768 70.654 68.868 0.031 0.000 1.237 413 T HN 0.475 nan 8.240 nan 0.000 0.591 414 A N 0.446 123.267 122.820 0.002 0.000 1.978 414 A HA -0.021 4.299 4.320 -0.000 0.000 0.220 414 A C 2.380 179.957 177.584 -0.011 0.000 1.170 414 A CA 2.384 54.416 52.037 -0.008 0.000 0.636 414 A CB -1.927 17.073 19.000 0.001 0.000 0.810 414 A HN 0.926 nan 8.150 nan 0.000 0.448 415 T N -0.026 114.534 114.554 0.009 0.000 2.635 415 T HA -0.166 4.184 4.350 -0.000 0.000 0.267 415 T C 1.817 176.518 174.700 0.002 0.000 1.040 415 T CA 1.983 64.097 62.100 0.023 0.000 1.156 415 T CB -0.276 68.620 68.868 0.046 0.000 0.863 415 T HN 0.619 nan 8.240 nan 0.000 0.430 416 E N 0.512 120.708 120.200 -0.007 0.000 2.107 416 E HA 0.056 4.406 4.350 -0.000 0.000 0.191 416 E C 2.395 178.901 176.600 -0.157 0.000 0.982 416 E CA 0.639 57.009 56.400 -0.050 0.000 0.809 416 E CB -0.129 29.544 29.700 -0.044 0.000 0.756 416 E HN 0.299 nan 8.360 nan 0.000 0.459 417 R N -0.145 120.281 120.500 -0.124 0.000 2.120 417 R HA -0.029 4.311 4.340 -0.000 0.000 0.234 417 R C 2.017 178.213 176.300 -0.174 0.000 1.123 417 R CA 1.168 57.181 56.100 -0.144 0.000 0.975 417 R CB -0.115 30.133 30.300 -0.086 0.000 0.866 417 R HN 0.165 nan 8.270 nan 0.000 0.446 418 A N 0.149 122.872 122.820 -0.163 0.000 1.935 418 A HA -0.080 4.240 4.320 -0.000 0.000 0.214 418 A C 2.042 179.328 177.584 -0.496 0.000 1.178 418 A CA 1.238 53.142 52.037 -0.222 0.000 0.640 418 A CB -0.213 18.721 19.000 -0.109 0.000 0.825 418 A HN 0.383 nan 8.150 nan 0.000 0.447 419 S N 0.810 116.258 115.700 -0.420 0.000 2.453 419 S HA -0.091 4.379 4.470 -0.000 0.000 0.231 419 S C 1.739 176.286 174.600 -0.088 0.000 1.005 419 S CA 0.940 58.864 58.200 -0.460 0.000 0.949 419 S CB -0.942 62.312 63.200 0.089 0.000 0.774 419 S HN 0.779 nan 8.310 nan 0.000 0.510 420 I N -1.296 119.137 120.570 -0.228 0.000 2.916 420 I HA 0.128 4.297 4.170 -0.000 0.000 0.267 420 I C 1.620 177.688 176.117 -0.082 0.000 1.263 420 I CA 0.899 62.069 61.300 -0.216 0.000 1.471 420 I CB -0.310 37.410 38.000 -0.467 0.000 1.089 420 I HN 0.081 nan 8.210 nan 0.000 0.468 421 K N 0.048 120.346 120.400 -0.170 0.000 2.358 421 K HA 0.192 4.512 4.320 -0.000 0.000 0.197 421 K C -0.065 176.564 176.600 0.048 0.000 1.025 421 K CA -0.029 56.202 56.287 -0.094 0.000 1.104 421 K CB 0.010 32.431 32.500 -0.131 0.000 0.855 421 K HN 0.481 nan 8.250 nan 0.000 0.531 422 H N 0.755 119.869 119.070 0.074 0.000 3.220 422 H HA 0.100 4.656 4.556 -0.000 0.000 0.225 422 H C -0.365 175.001 175.328 0.063 0.000 1.869 422 H CA -0.445 55.641 56.048 0.063 0.000 1.428 422 H CB 0.205 30.009 29.762 0.071 0.000 1.792 422 H HN -0.078 nan 8.280 nan 0.000 0.595 423 S N 0.582 116.378 115.700 0.160 0.000 2.500 423 S HA 0.078 4.548 4.470 -0.000 0.000 0.301 423 S C 0.640 175.279 174.600 0.066 0.000 1.092 423 S CA -0.975 57.286 58.200 0.103 0.000 1.030 423 S CB 1.186 64.443 63.200 0.094 0.000 1.031 423 S HN 0.447 nan 8.310 nan 0.000 0.483 424 D N 3.281 123.706 120.400 0.042 0.000 2.363 424 D HA 0.098 4.738 4.640 -0.000 0.000 0.220 424 D C 1.150 177.459 176.300 0.015 0.000 0.994 424 D CA 0.607 54.620 54.000 0.022 0.000 0.890 424 D CB 0.364 41.170 40.800 0.009 0.000 0.906 424 D HN 0.607 nan 8.370 nan 0.000 0.530 425 I N -1.173 119.408 120.570 0.018 0.000 4.228 425 I HA 0.221 4.391 4.170 -0.000 0.000 0.298 425 I C 0.251 176.374 176.117 0.011 0.000 1.206 425 I CA -0.004 61.300 61.300 0.007 0.000 1.322 425 I CB 0.578 38.575 38.000 -0.005 0.000 1.411 425 I HN -0.193 nan 8.210 nan 0.000 0.454 426 A N 0.278 123.112 122.820 0.024 0.000 2.261 426 A HA 0.340 4.659 4.320 -0.000 0.000 0.323 426 A C 0.334 177.936 177.584 0.030 0.000 1.107 426 A CA -0.271 51.784 52.037 0.029 0.000 0.883 426 A CB 0.385 19.413 19.000 0.047 0.000 1.251 426 A HN 0.299 nan 8.150 nan 0.000 0.502 427 D N -0.647 119.766 120.400 0.021 0.000 2.144 427 D HA 0.023 4.663 4.640 -0.000 0.000 0.200 427 D C 0.266 176.555 176.300 -0.018 0.000 0.978 427 D CA 1.519 55.515 54.000 -0.007 0.000 0.833 427 D CB -0.052 40.732 40.800 -0.026 0.000 0.961 427 D HN 0.379 nan 8.370 nan 0.000 0.470 428 L N -0.395 120.848 121.223 0.033 0.000 2.350 428 L HA 0.505 4.845 4.340 -0.000 0.000 0.260 428 L C -0.711 176.285 176.870 0.210 0.000 1.015 428 L CA -0.911 53.976 54.840 0.079 0.000 0.821 428 L CB 3.239 45.319 42.059 0.034 0.000 1.370 428 L HN -0.314 nan 8.230 nan 0.000 0.416 429 V N 1.335 121.424 119.914 0.292 0.000 2.823 429 V HA 0.369 4.489 4.120 -0.000 0.000 0.312 429 V C -0.013 176.319 176.094 0.397 0.000 1.072 429 V CA -0.474 62.007 62.300 0.302 0.000 0.937 429 V CB 2.044 34.009 31.823 0.236 0.000 1.013 429 V HN 0.966 nan 8.190 nan 0.000 0.430 430 N N 4.231 123.043 118.700 0.186 0.000 2.336 430 N HA 0.089 4.828 4.740 -0.000 0.000 0.189 430 N C 0.033 175.601 175.510 0.098 0.000 1.113 430 N CA 0.165 53.147 53.050 -0.113 0.000 0.858 430 N CB 0.074 38.405 38.487 -0.259 0.000 0.970 430 N HN 0.811 nan 8.380 nan 0.000 0.471 431 H N -1.070 117.963 119.070 -0.061 0.000 3.038 431 H HA 0.241 4.796 4.556 -0.000 0.000 0.362 431 H C -1.631 173.359 175.328 -0.564 0.000 1.167 431 H CA -0.329 55.503 56.048 -0.360 0.000 1.197 431 H CB 2.434 32.080 29.762 -0.193 0.000 1.840 431 H HN 0.019 nan 8.280 nan 0.000 0.540 432 T N 2.229 115.940 114.554 -1.406 0.000 2.885 432 T HA 0.205 4.555 4.350 -0.000 0.000 0.285 432 T C 0.574 174.774 174.700 -0.833 0.000 1.019 432 T CA -0.645 60.887 62.100 -0.947 0.000 1.010 432 T CB 0.885 69.214 68.868 -0.898 0.000 1.022 432 T HN 0.671 nan 8.240 nan 0.000 0.466 433 N N 2.267 120.734 118.700 -0.390 0.000 2.463 433 N HA 0.117 4.857 4.740 -0.000 0.000 0.181 433 N C 1.051 176.461 175.510 -0.166 0.000 1.078 433 N CA 0.112 53.032 53.050 -0.216 0.000 0.902 433 N CB 0.104 38.541 38.487 -0.083 0.000 0.970 433 N HN 0.753 nan 8.380 nan 0.000 0.451 434 G N 0.261 108.953 108.800 -0.179 0.000 2.621 434 G HA2 0.182 4.141 3.960 -0.000 0.000 0.271 434 G HA3 0.182 4.141 3.960 -0.000 0.000 0.271 434 G C 0.382 175.218 174.900 -0.107 0.000 1.236 434 G CA -0.269 44.768 45.100 -0.105 0.000 0.958 434 G HN -0.028 nan 8.290 nan 0.000 0.512 435 Q N -1.223 118.548 119.800 -0.048 0.000 2.189 435 Q HA 0.470 4.809 4.340 -0.000 0.000 0.193 435 Q C 0.935 176.936 176.000 0.001 0.000 1.034 435 Q CA 0.254 56.043 55.803 -0.024 0.000 1.062 435 Q CB 0.555 29.292 28.738 -0.002 0.000 1.118 435 Q HN 1.406 nan 8.270 nan 0.000 0.569 436 G N 0.703 109.521 108.800 0.030 0.000 2.256 436 G HA2 -0.316 3.644 3.960 -0.000 0.000 0.272 436 G HA3 -0.316 3.644 3.960 -0.000 0.000 0.272 436 G C 0.671 175.624 174.900 0.089 0.000 1.076 436 G CA 0.752 45.895 45.100 0.072 0.000 0.882 436 G HN 0.523 nan 8.290 nan 0.000 0.497 437 K N -0.250 120.181 120.400 0.052 0.000 2.148 437 K HA 0.113 4.432 4.320 -0.000 0.000 0.204 437 K C 2.952 179.623 176.600 0.117 0.000 1.050 437 K CA 1.346 57.658 56.287 0.042 0.000 0.942 437 K CB -0.135 32.361 32.500 -0.007 0.000 0.724 437 K HN 0.590 nan 8.250 nan 0.000 0.446 438 A N 1.429 124.329 122.820 0.133 0.000 1.930 438 A HA -0.112 4.208 4.320 -0.000 0.000 0.217 438 A C 2.066 179.680 177.584 0.049 0.000 1.175 438 A CA 1.153 53.285 52.037 0.160 0.000 0.627 438 A CB -0.534 18.635 19.000 0.282 0.000 0.815 438 A HN 0.148 nan 8.150 nan 0.000 0.443 439 L N -2.335 118.967 121.223 0.132 0.000 2.109 439 L HA -0.086 4.254 4.340 -0.000 0.000 0.207 439 L C 2.475 179.327 176.870 -0.030 0.000 1.086 439 L CA 1.373 56.254 54.840 0.068 0.000 0.760 439 L CB -0.721 41.445 42.059 0.178 0.000 0.910 439 L HN 0.436 nan 8.230 nan 0.000 0.437 440 F N 1.480 121.384 119.950 -0.076 0.000 2.102 440 F HA -0.231 4.296 4.527 -0.000 0.000 0.298 440 F C 2.543 178.293 175.800 -0.084 0.000 1.105 440 F CA 1.408 59.366 58.000 -0.070 0.000 1.239 440 F CB -0.236 38.725 39.000 -0.065 0.000 0.991 440 F HN -0.011 nan 8.300 nan 0.000 0.474 441 A N 0.369 123.270 122.820 0.135 0.000 1.908 441 A HA -0.126 4.193 4.320 -0.000 0.000 0.218 441 A C 2.395 179.824 177.584 -0.259 0.000 1.181 441 A CA 1.985 54.025 52.037 0.004 0.000 0.627 441 A CB -1.609 17.407 19.000 0.027 0.000 0.818 441 A HN 0.534 nan 8.150 nan 0.000 0.445 442 A N -0.941 121.581 122.820 -0.498 0.000 1.902 442 A HA -0.097 4.223 4.320 -0.000 0.000 0.217 442 A C 2.486 179.788 177.584 -0.471 0.000 1.181 442 A CA 2.149 53.725 52.037 -0.767 0.000 0.623 442 A CB -0.995 17.209 19.000 -1.325 0.000 0.818 442 A HN 0.584 nan 8.150 nan 0.000 0.443 443 S N -1.628 113.861 115.700 -0.351 0.000 2.382 443 S HA -0.171 4.299 4.470 -0.000 0.000 0.228 443 S C 1.749 176.210 174.600 -0.231 0.000 1.027 443 S CA 1.627 59.662 58.200 -0.276 0.000 0.991 443 S CB -0.524 62.495 63.200 -0.301 0.000 0.823 443 S HN 0.549 nan 8.310 nan 0.000 0.469 444 F N 1.675 121.394 119.950 -0.385 0.000 2.102 444 F HA -0.046 4.480 4.527 -0.000 0.000 0.298 444 F C 2.126 177.949 175.800 0.039 0.000 1.105 444 F CA 1.594 59.465 58.000 -0.215 0.000 1.239 444 F CB -0.431 38.443 39.000 -0.209 0.000 0.991 444 F HN 0.057 nan 8.300 nan 0.000 0.474 445 V N 0.026 119.992 119.914 0.088 0.000 2.307 445 V HA -0.285 3.835 4.120 -0.000 0.000 0.245 445 V C 2.468 178.574 176.094 0.020 0.000 1.045 445 V CA 2.284 64.614 62.300 0.049 0.000 1.024 445 V CB -1.325 30.383 31.823 -0.192 0.000 0.651 445 V HN 0.589 nan 8.190 nan 0.000 0.449 446 T N -2.372 112.037 114.554 -0.242 0.000 3.072 446 T HA -0.200 4.150 4.350 -0.000 0.000 0.266 446 T C 1.672 176.330 174.700 -0.069 0.000 1.127 446 T CA 1.405 63.293 62.100 -0.352 0.000 1.107 446 T CB -0.590 68.001 68.868 -0.461 0.000 0.910 446 T HN 0.658 nan 8.240 nan 0.000 0.513 447 H N 0.565 119.545 119.070 -0.149 0.000 2.421 447 H HA 0.069 4.625 4.556 -0.000 0.000 0.298 447 H C 1.104 176.285 175.328 -0.246 0.000 1.087 447 H CA 1.264 57.150 56.048 -0.271 0.000 1.330 447 H CB -0.529 28.927 29.762 -0.510 0.000 1.388 447 H HN 0.468 nan 8.280 nan 0.000 0.526 448 F N 0.029 119.942 119.950 -0.062 0.000 2.811 448 F HA 0.045 4.572 4.527 -0.000 0.000 0.301 448 F C 2.297 178.163 175.800 0.111 0.000 1.151 448 F CA 0.690 58.708 58.000 0.031 0.000 1.412 448 F CB 0.092 39.162 39.000 0.117 0.000 1.113 448 F HN 0.276 nan 8.300 nan 0.000 0.579 449 S N -1.515 114.311 115.700 0.208 0.000 2.548 449 S HA 0.441 4.911 4.470 -0.000 0.000 0.215 449 S C 1.648 176.263 174.600 0.025 0.000 0.976 449 S CA 0.231 58.521 58.200 0.150 0.000 0.908 449 S CB -0.346 63.030 63.200 0.293 0.000 0.781 449 S HN 0.501 nan 8.310 nan 0.000 0.519 450 G N 2.241 111.007 108.800 -0.057 0.000 2.561 450 G HA2 -0.304 3.656 3.960 -0.000 0.000 0.289 450 G HA3 -0.304 3.656 3.960 -0.000 0.000 0.289 450 G C 0.371 175.233 174.900 -0.063 0.000 1.169 450 G CA 0.441 45.481 45.100 -0.101 0.000 0.980 450 G HN 0.385 nan 8.290 nan 0.000 0.550 451 Q N 1.171 120.944 119.800 -0.044 0.000 2.319 451 Q HA 0.198 4.538 4.340 -0.000 0.000 0.202 451 Q C 1.070 177.067 176.000 -0.006 0.000 0.896 451 Q CA 0.799 56.586 55.803 -0.026 0.000 0.942 451 Q CB 0.175 28.897 28.738 -0.028 0.000 1.083 451 Q HN 0.601 nan 8.270 nan 0.000 0.510 452 T N 3.862 118.414 114.554 -0.003 0.000 2.902 452 T HA 0.114 4.464 4.350 -0.000 0.000 0.301 452 T C -2.434 172.287 174.700 0.034 0.000 1.012 452 T CA -0.851 61.251 62.100 0.005 0.000 1.151 452 T CB 0.505 69.364 68.868 -0.014 0.000 0.946 452 T HN -0.009 nan 8.240 nan 0.000 0.542 453 P HA 0.027 nan 4.420 nan 0.000 0.258 453 P C -0.633 176.709 177.300 0.070 0.000 1.172 453 P CA 0.528 63.657 63.100 0.049 0.000 0.762 453 P CB 0.064 31.789 31.700 0.042 0.000 0.764 454 H N 3.181 122.234 119.070 -0.029 0.000 2.782 454 H HA 0.556 5.112 4.556 -0.000 0.000 0.347 454 H C -0.851 174.425 175.328 -0.086 0.000 1.038 454 H CA -0.893 55.130 56.048 -0.042 0.000 1.255 454 H CB 0.809 30.559 29.762 -0.020 0.000 1.623 454 H HN 0.232 nan 8.280 nan 0.000 0.525 455 I N 4.299 124.974 120.570 0.175 0.000 2.406 455 I HA 0.139 4.309 4.170 -0.000 0.000 0.290 455 I C -0.677 175.335 176.117 -0.175 0.000 0.999 455 I CA -0.707 60.511 61.300 -0.137 0.000 1.124 455 I CB 1.502 39.252 38.000 -0.416 0.000 1.289 455 I HN 0.628 nan 8.210 nan 0.000 0.441 456 H N 6.522 125.395 119.070 -0.327 0.000 2.476 456 H HA 0.501 5.057 4.556 -0.000 0.000 0.328 456 H C -1.694 173.453 175.328 -0.303 0.000 1.073 456 H CA -0.542 55.371 56.048 -0.225 0.000 1.229 456 H CB 0.799 30.477 29.762 -0.141 0.000 1.432 456 H HN 0.288 nan 8.280 nan 0.000 0.477 457 F N 3.795 123.457 119.950 -0.480 0.000 2.347 457 F HA 0.175 4.702 4.527 -0.000 0.000 0.366 457 F C 0.117 175.699 175.800 -0.364 0.000 1.107 457 F CA -0.898 56.897 58.000 -0.342 0.000 1.058 457 F CB 1.019 39.880 39.000 -0.232 0.000 1.236 457 F HN 0.552 nan 8.300 nan 0.000 0.456 458 D N 5.120 125.464 120.400 -0.093 0.000 2.393 458 D HA 0.188 4.828 4.640 -0.000 0.000 0.232 458 D C 0.546 176.925 176.300 0.131 0.000 1.192 458 D CA -0.011 54.021 54.000 0.054 0.000 0.882 458 D CB 0.578 41.511 40.800 0.223 0.000 1.038 458 D HN 0.594 nan 8.370 nan 0.000 0.499 459 I N 0.674 121.324 120.570 0.133 0.000 3.805 459 I HA 0.374 4.544 4.170 -0.000 0.000 0.337 459 I C 1.447 177.577 176.117 0.021 0.000 1.539 459 I CA -0.671 60.680 61.300 0.085 0.000 1.176 459 I CB 0.659 38.758 38.000 0.166 0.000 1.248 459 I HN 0.154 nan 8.210 nan 0.000 0.437 460 A N 1.694 124.539 122.820 0.042 0.000 1.940 460 A HA -0.009 4.310 4.320 -0.000 0.000 0.219 460 A C 2.195 179.765 177.584 -0.024 0.000 1.176 460 A CA 2.034 54.087 52.037 0.027 0.000 0.631 460 A CB -1.000 18.031 19.000 0.051 0.000 0.814 460 A HN 0.591 nan 8.150 nan 0.000 0.446 461 G N -0.425 108.340 108.800 -0.059 0.000 2.518 461 G HA2 0.020 3.980 3.960 -0.000 0.000 0.213 461 G HA3 0.020 3.980 3.960 -0.000 0.000 0.213 461 G C -0.298 174.482 174.900 -0.201 0.000 1.226 461 G CA 0.947 45.985 45.100 -0.103 0.000 0.822 461 G HN 0.521 nan 8.290 nan 0.000 0.546 462 P HA 0.151 nan 4.420 nan 0.000 0.241 462 P C 1.564 178.563 177.300 -0.501 0.000 1.191 462 P CA 1.153 63.864 63.100 -0.648 0.000 0.771 462 P CB 0.259 31.062 31.700 -1.495 0.000 0.929 463 A N 0.305 122.961 122.820 -0.272 0.000 2.070 463 A HA 0.003 4.323 4.320 -0.000 0.000 0.220 463 A C 1.217 178.689 177.584 -0.188 0.000 1.159 463 A CA 1.520 53.484 52.037 -0.121 0.000 0.656 463 A CB -1.118 17.852 19.000 -0.049 0.000 0.800 463 A HN 0.395 nan 8.150 nan 0.000 0.453 464 T N -4.483 109.933 114.554 -0.230 0.000 2.906 464 T HA 0.577 4.927 4.350 -0.000 0.000 0.295 464 T C -0.629 173.950 174.700 -0.202 0.000 1.061 464 T CA -0.166 61.752 62.100 -0.304 0.000 1.000 464 T CB 1.845 70.467 68.868 -0.410 0.000 1.103 464 T HN 0.085 nan 8.240 nan 0.000 0.486 465 T N 0.900 115.347 114.554 -0.179 0.000 2.893 465 T HA 0.457 4.806 4.350 -0.000 0.000 0.293 465 T C 0.211 174.867 174.700 -0.075 0.000 1.027 465 T CA -0.734 61.301 62.100 -0.109 0.000 0.988 465 T CB 0.986 69.801 68.868 -0.089 0.000 1.043 465 T HN 0.777 nan 8.240 nan 0.000 0.461 466 N N 2.596 121.271 118.700 -0.042 0.000 2.235 466 N HA 0.182 4.922 4.740 -0.000 0.000 0.209 466 N C -0.338 175.171 175.510 -0.002 0.000 1.122 466 N CA -0.346 52.698 53.050 -0.011 0.000 0.845 466 N CB 0.140 38.627 38.487 0.000 0.000 1.004 466 N HN 0.378 nan 8.380 nan 0.000 0.499 467 K N 0.354 120.747 120.400 -0.012 0.000 2.482 467 K HA 0.691 5.011 4.320 -0.000 0.000 0.251 467 K C -1.219 175.376 176.600 -0.009 0.000 0.936 467 K CA -0.608 55.676 56.287 -0.005 0.000 0.791 467 K CB 2.029 34.523 32.500 -0.009 0.000 1.213 467 K HN 0.104 nan 8.250 nan 0.000 0.428 468 A N 2.341 125.168 122.820 0.012 0.000 2.407 468 A HA 0.589 4.909 4.320 -0.000 0.000 0.248 468 A C -0.255 177.333 177.584 0.007 0.000 1.082 468 A CA 0.408 52.458 52.037 0.021 0.000 0.785 468 A CB 0.057 19.087 19.000 0.050 0.000 1.020 468 A HN 0.957 nan 8.150 nan 0.000 0.489 469 S N 0.166 115.858 115.700 -0.013 0.000 2.790 469 S HA 0.454 4.923 4.470 -0.000 0.000 0.292 469 S C 0.474 175.072 174.600 -0.004 0.000 1.197 469 S CA 0.113 58.272 58.200 -0.069 0.000 0.851 469 S CB -0.179 62.818 63.200 -0.338 0.000 1.217 469 S HN 1.303 nan 8.310 nan 0.000 0.526 470 Y N 0.555 120.915 120.300 0.100 0.000 2.569 470 Y HA 0.300 4.849 4.550 -0.000 0.000 0.293 470 Y C 1.272 177.202 175.900 0.049 0.000 1.144 470 Y CA 0.972 59.072 58.100 -0.001 0.000 1.321 470 Y CB -1.006 37.271 38.460 -0.305 0.000 0.982 470 Y HN 0.455 nan 8.280 nan 0.000 0.558 471 N N 0.611 119.244 118.700 -0.111 0.000 2.336 471 N HA 0.314 5.054 4.740 -0.000 0.000 0.189 471 N C 0.629 176.167 175.510 0.046 0.000 1.113 471 N CA 0.929 53.985 53.050 0.010 0.000 0.858 471 N CB 0.818 39.254 38.487 -0.085 0.000 0.970 471 N HN 0.639 nan 8.380 nan 0.000 0.471 472 G N 0.255 109.094 108.800 0.065 0.000 2.331 472 G HA2 -0.084 3.876 3.960 -0.000 0.000 0.402 472 G HA3 -0.084 3.876 3.960 -0.000 0.000 0.402 472 G C -3.079 171.878 174.900 0.096 0.000 1.275 472 G CA -0.941 44.230 45.100 0.118 0.000 1.003 472 G HN -0.057 nan 8.290 nan 0.000 0.500 473 P HA 0.339 nan 4.420 nan 0.000 0.279 473 P C -0.180 177.167 177.300 0.078 0.000 1.282 473 P CA -0.357 62.811 63.100 0.114 0.000 0.788 473 P CB 0.570 32.358 31.700 0.147 0.000 1.139 474 K N -0.317 120.121 120.400 0.064 0.000 2.469 474 K HA 0.357 4.677 4.320 -0.000 0.000 0.274 474 K C 0.944 177.559 176.600 0.025 0.000 0.983 474 K CA 1.304 57.611 56.287 0.033 0.000 0.974 474 K CB -0.588 31.942 32.500 0.051 0.000 0.913 474 K HN 0.904 nan 8.250 nan 0.000 0.493 475 G N 1.899 110.652 108.800 -0.078 0.000 2.337 475 G HA2 -0.139 3.821 3.960 -0.000 0.000 0.197 475 G HA3 -0.139 3.821 3.960 -0.000 0.000 0.197 475 G C -2.937 171.717 174.900 -0.411 0.000 1.238 475 G CA -1.059 43.893 45.100 -0.246 0.000 1.119 475 G HN 0.460 nan 8.290 nan 0.000 0.514 476 P HA 0.183 nan 4.420 nan 0.000 0.268 476 P C 0.870 178.040 177.300 -0.218 0.000 1.204 476 P CA 1.273 64.134 63.100 -0.398 0.000 0.768 476 P CB 0.979 32.506 31.700 -0.289 0.000 0.842 477 T N -1.744 112.722 114.554 -0.147 0.000 3.015 477 T HA 0.242 4.592 4.350 -0.000 0.000 0.250 477 T C 1.314 175.995 174.700 -0.031 0.000 1.057 477 T CA 0.632 62.699 62.100 -0.054 0.000 1.066 477 T CB -0.758 68.135 68.868 0.043 0.000 0.959 477 T HN 0.633 nan 8.240 nan 0.000 0.488 478 G N 1.347 110.123 108.800 -0.040 0.000 2.176 478 G HA2 -0.239 3.721 3.960 -0.000 0.000 0.252 478 G HA3 -0.239 3.721 3.960 -0.000 0.000 0.252 478 G C -0.143 174.754 174.900 -0.004 0.000 1.024 478 G CA -0.162 44.911 45.100 -0.044 0.000 0.755 478 G HN 0.606 nan 8.290 nan 0.000 0.507 479 F N 0.208 120.101 119.950 -0.095 0.000 2.602 479 F HA 0.378 4.905 4.527 -0.000 0.000 0.367 479 F C 1.706 177.443 175.800 -0.105 0.000 1.126 479 F CA 1.436 59.390 58.000 -0.077 0.000 1.321 479 F CB 0.371 39.340 39.000 -0.053 0.000 1.094 479 F HN 0.278 nan 8.300 nan 0.000 0.594 480 M N 2.541 121.825 119.600 -0.526 0.000 2.957 480 M HA -0.307 4.172 4.480 -0.000 0.000 0.196 480 M C 1.318 177.422 176.300 -0.327 0.000 0.616 480 M CA 1.264 56.323 55.300 -0.403 0.000 0.750 480 M CB -2.099 30.376 32.600 -0.207 0.000 2.689 480 M HN 0.684 nan 8.290 nan 0.000 0.285 481 I N 0.573 120.981 120.570 -0.270 0.000 2.151 481 I HA -0.225 3.945 4.170 -0.000 0.000 0.243 481 I C -0.545 175.482 176.117 -0.150 0.000 1.080 481 I CA 2.280 63.458 61.300 -0.203 0.000 1.339 481 I CB -1.414 36.496 38.000 -0.149 0.000 1.039 481 I HN 0.246 nan 8.210 nan 0.000 0.409 482 P HA -0.128 nan 4.420 nan 0.000 0.215 482 P C 1.673 178.913 177.300 -0.100 0.000 1.153 482 P CA 1.598 64.638 63.100 -0.099 0.000 0.853 482 P CB -0.129 31.518 31.700 -0.087 0.000 0.788 483 T N -0.169 114.289 114.554 -0.161 0.000 2.674 483 T HA -0.096 4.254 4.350 -0.000 0.000 0.265 483 T C 1.716 176.404 174.700 -0.021 0.000 1.039 483 T CA 1.085 63.112 62.100 -0.123 0.000 1.150 483 T CB -0.702 68.038 68.868 -0.213 0.000 0.864 483 T HN -0.054 nan 8.240 nan 0.000 0.427 484 I N 1.137 121.681 120.570 -0.042 0.000 2.252 484 I HA -0.075 4.095 4.170 -0.000 0.000 0.245 484 I C 2.579 178.797 176.117 0.168 0.000 1.102 484 I CA 0.885 62.237 61.300 0.087 0.000 1.385 484 I CB -1.527 36.485 38.000 0.021 0.000 1.064 484 I HN 0.109 nan 8.210 nan 0.000 0.414 485 V N 0.814 120.760 119.914 0.054 0.000 2.287 485 V HA -0.305 3.815 4.120 -0.000 0.000 0.248 485 V C 2.660 178.789 176.094 0.059 0.000 1.053 485 V CA 1.967 64.294 62.300 0.045 0.000 1.027 485 V CB -0.737 31.083 31.823 -0.005 0.000 0.646 485 V HN 0.377 nan 8.190 nan 0.000 0.447 486 Q N -0.878 118.953 119.800 0.052 0.000 2.124 486 Q HA -0.261 4.079 4.340 -0.000 0.000 0.202 486 Q C 1.848 177.903 176.000 0.091 0.000 0.977 486 Q CA 2.362 58.191 55.803 0.042 0.000 0.850 486 Q CB -0.558 28.184 28.738 0.006 0.000 0.901 486 Q HN 0.743 nan 8.270 nan 0.000 0.429 487 W N -0.087 121.199 121.300 -0.022 0.000 2.381 487 W HA -0.081 4.579 4.660 -0.000 0.000 0.301 487 W C 1.377 177.904 176.519 0.014 0.000 1.205 487 W CA 1.336 58.682 57.345 0.002 0.000 1.285 487 W CB -0.198 29.276 29.460 0.022 0.000 1.133 487 W HN 0.190 nan 8.180 nan 0.000 0.521 488 L N 0.719 121.986 121.223 0.073 0.000 2.131 488 L HA -0.200 4.140 4.340 -0.000 0.000 0.210 488 L C 2.364 179.138 176.870 -0.161 0.000 1.092 488 L CA 1.449 56.224 54.840 -0.107 0.000 0.759 488 L CB -0.758 41.349 42.059 0.079 0.000 0.903 488 L HN -0.086 nan 8.230 nan 0.000 0.435 489 K N -0.178 120.168 120.400 -0.090 0.000 2.360 489 K HA -0.160 4.160 4.320 -0.000 0.000 0.201 489 K C 1.500 178.028 176.600 -0.120 0.000 1.046 489 K CA 0.923 57.164 56.287 -0.077 0.000 0.945 489 K CB 0.027 32.507 32.500 -0.034 0.000 0.750 489 K HN 0.436 nan 8.250 nan 0.000 0.464 490 Q N -0.019 119.659 119.800 -0.204 0.000 2.220 490 Q HA 0.062 4.402 4.340 -0.000 0.000 0.205 490 Q C -0.036 175.795 176.000 -0.282 0.000 0.865 490 Q CA -0.082 55.594 55.803 -0.211 0.000 0.960 490 Q CB 0.705 29.330 28.738 -0.188 0.000 1.097 490 Q HN 0.149 nan 8.270 nan 0.000 0.493 491 Q N 0.000 119.605 119.800 -0.325 0.000 2.315 491 Q HA 0.000 4.340 4.340 -0.000 0.000 0.214 491 Q CA 0.000 55.615 55.803 -0.314 0.000 1.022 491 Q CB 0.000 28.492 28.738 -0.411 0.000 1.108 491 Q HN 0.000 nan 8.270 nan 0.000 0.481