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 1g7t_1_A DATA FIRST_RESID 1 DATA SEQUENCE MKIRSPIVSV LGHVDHGKTT LLDHIRGSAV ASRXXXXITQ HIGATEIPMD DATA SEQUENCE VIEGICGDFL KKFSIRETLP GLFFIDTPGH EAFTTLRKRG GALADLAILI DATA SEQUENCE VDINEGFKPQ TQEALNILRM YRTPFVVAAN KIDRIHGWRV HEGRPFMETF DATA SEQUENCE SKQDIQVQQK LDTKVYELVG KLHEEGFESE RFDRVTDFAS QVSIIPISAI DATA SEQUENCE TGEGIPELLT MLMGLAQQYL REQLKIEEDS PARGTILEVK EETGLGMTID DATA SEQUENCE AVIYDGILRK DDTIAMMTSK DVISTRIRSL LKPRPXXXXX XSRKKFQKVD DATA SEQUENCE EVVAAAGIKI VAPGIDDVMA GSPLRVVTDP EKVREEILSE IEDIKIDTDE DATA SEQUENCE AGVVVKADTL GSLEAVVKIL RDMYVPIKVA DIGDVSRRDV VNAGIALQED DATA SEQUENCE RVYGAIIAFN VKVIPSAAQE LKNSDIKLFQ GNVIYRLMEE YEEWVRGIEE DATA SEQUENCE EKKKKWMEAI IKPASIRLIP KLVFRQSKPA IGGVEVLTGV IRQGYPLMND DATA SEQUENCE DGETVGTVES MQDKGENLKS ASRGQKVAMA IKDAVYGKTI HEGDTLYVDI DATA SEQUENCE PENHYHILXX XXXXXLTDEE LDLMDKIAEI KRKKNP 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 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.298 176.300 -0.003 0.000 1.140 1 M CA 0.000 55.298 55.300 -0.003 0.000 0.988 1 M CB 0.000 32.599 32.600 -0.001 0.000 1.302 2 K N 0.086 120.483 120.400 -0.004 0.000 2.579 2 K HA 0.775 5.124 4.320 0.049 0.000 0.284 2 K C -1.917 174.680 176.600 -0.005 0.000 0.990 2 K CA -1.002 55.283 56.287 -0.004 0.000 0.880 2 K CB 1.415 33.912 32.500 -0.005 0.000 1.488 2 K HN 0.570 nan 8.250 nan 0.000 0.425 3 I N 2.560 123.128 120.570 -0.003 0.000 2.312 3 I HA 0.410 4.609 4.170 0.049 0.000 0.290 3 I C 0.857 176.968 176.117 -0.011 0.000 1.008 3 I CA -0.628 60.669 61.300 -0.005 0.000 1.226 3 I CB 0.671 38.671 38.000 -0.000 0.000 1.371 3 I HN 0.881 nan 8.210 nan 0.000 0.468 4 R N 3.921 124.408 120.500 -0.021 0.000 2.541 4 R HA 0.547 4.917 4.340 0.049 0.000 0.263 4 R C -0.042 176.237 176.300 -0.035 0.000 1.112 4 R CA -0.659 55.419 56.100 -0.037 0.000 1.170 4 R CB 0.419 30.681 30.300 -0.064 0.000 1.167 4 R HN 0.430 nan 8.270 nan 0.000 0.582 5 S N 1.729 117.403 115.700 -0.043 0.000 2.564 5 S HA 0.205 4.704 4.470 0.049 0.000 0.278 5 S C -2.147 172.428 174.600 -0.041 0.000 1.333 5 S CA -0.836 57.351 58.200 -0.021 0.000 1.048 5 S CB 0.859 64.075 63.200 0.027 0.000 0.900 5 S HN 0.491 nan 8.310 nan 0.000 0.505 6 P HA 0.217 nan 4.420 nan 0.000 0.271 6 P C -0.709 176.552 177.300 -0.065 0.000 1.218 6 P CA -0.118 62.943 63.100 -0.064 0.000 0.780 6 P CB 0.325 31.976 31.700 -0.082 0.000 0.901 7 I N 2.341 122.882 120.570 -0.048 0.000 2.315 7 I HA 0.193 4.393 4.170 0.049 0.000 0.291 7 I C -0.290 175.770 176.117 -0.095 0.000 1.006 7 I CA -0.646 60.662 61.300 0.014 0.000 1.265 7 I CB 1.035 39.069 38.000 0.056 0.000 1.387 7 I HN -0.045 nan 8.210 nan 0.000 0.475 8 V N 5.649 125.439 119.914 -0.206 0.000 2.357 8 V HA 0.290 4.439 4.120 0.049 0.000 0.284 8 V C 0.337 176.378 176.094 -0.088 0.000 1.018 8 V CA -0.602 61.559 62.300 -0.231 0.000 0.841 8 V CB 1.384 32.892 31.823 -0.524 0.000 0.991 8 V HN 0.869 nan 8.190 nan 0.000 0.437 9 S N 4.303 119.975 115.700 -0.048 0.000 2.632 9 S HA 0.733 5.232 4.470 0.049 0.000 0.271 9 S C -0.468 174.137 174.600 0.008 0.000 1.260 9 S CA -0.687 57.504 58.200 -0.016 0.000 1.010 9 S CB 1.832 64.999 63.200 -0.056 0.000 0.965 9 S HN 0.457 nan 8.310 nan 0.000 0.534 10 V N 2.531 122.457 119.914 0.019 0.000 2.376 10 V HA 0.465 4.614 4.120 0.049 0.000 0.287 10 V C -0.954 175.118 176.094 -0.037 0.000 1.015 10 V CA -0.643 61.661 62.300 0.006 0.000 0.834 10 V CB 0.735 32.581 31.823 0.039 0.000 1.001 10 V HN 0.724 nan 8.190 nan 0.000 0.428 11 L N 3.426 124.561 121.223 -0.147 0.000 2.319 11 L HA 1.089 5.458 4.340 0.049 0.000 0.267 11 L C 0.526 177.238 176.870 -0.263 0.000 1.011 11 L CA 0.094 54.753 54.840 -0.301 0.000 0.818 11 L CB 1.789 43.448 42.059 -0.666 0.000 1.316 11 L HN 0.875 nan 8.230 nan 0.000 0.432 12 G N -0.785 107.882 108.800 -0.222 0.000 2.339 12 G HA2 0.105 4.094 3.960 0.049 0.000 0.302 12 G HA3 0.105 4.094 3.960 0.049 0.000 0.302 12 G C -1.502 173.418 174.900 0.034 0.000 1.425 12 G CA -0.838 44.194 45.100 -0.113 0.000 0.899 12 G HN 0.724 nan 8.290 nan 0.000 0.619 13 H N -0.177 118.744 119.070 -0.248 0.000 2.757 13 H HA 0.348 4.932 4.556 0.047 0.000 0.370 13 H C 1.280 176.407 175.328 -0.335 0.000 1.172 13 H CA 0.726 56.545 56.048 -0.381 0.000 1.426 13 H CB 1.334 30.607 29.762 -0.815 0.000 1.438 13 H HN 0.894 nan 8.280 nan 0.000 0.612 14 V N 1.599 121.025 119.914 -0.814 0.000 2.644 14 V HA -0.084 4.066 4.120 0.049 0.000 0.305 14 V C 0.337 176.339 176.094 -0.152 0.000 1.053 14 V CA 0.046 62.084 62.300 -0.437 0.000 1.186 14 V CB 0.171 31.751 31.823 -0.406 0.000 0.895 14 V HN 1.024 nan 8.190 nan 0.000 0.490 15 D N 1.350 121.731 120.400 -0.032 0.000 3.039 15 D HA -0.246 4.423 4.640 0.049 0.000 0.222 15 D C 0.806 177.219 176.300 0.189 0.000 1.179 15 D CA 1.908 55.952 54.000 0.073 0.000 0.880 15 D CB -1.546 39.305 40.800 0.085 0.000 1.115 15 D HN 1.021 nan 8.370 nan 0.000 0.416 16 H N -0.637 118.446 119.070 0.021 0.000 2.556 16 H HA 0.215 4.798 4.556 0.045 0.000 0.268 16 H C 1.874 177.189 175.328 -0.022 0.000 0.996 16 H CA 0.563 56.616 56.048 0.008 0.000 1.157 16 H CB 0.434 30.203 29.762 0.011 0.000 1.355 16 H HN 0.393 nan 8.280 nan 0.000 0.597 17 G N 0.787 109.641 108.800 0.091 0.000 2.148 17 G HA2 -0.227 3.762 3.960 0.049 0.000 0.157 17 G HA3 -0.227 3.762 3.960 0.049 0.000 0.157 17 G C 0.900 175.804 174.900 0.006 0.000 1.012 17 G CA 0.173 45.290 45.100 0.027 0.000 0.677 17 G HN 0.225 nan 8.290 nan 0.000 0.506 18 K N 0.240 120.648 120.400 0.014 0.000 2.015 18 K HA -0.078 4.272 4.320 0.049 0.000 0.216 18 K C 2.671 179.265 176.600 -0.010 0.000 1.052 18 K CA 2.510 58.798 56.287 0.002 0.000 0.937 18 K CB -0.491 32.018 32.500 0.016 0.000 0.719 18 K HN 0.348 nan 8.250 nan 0.000 0.446 19 T N 0.096 114.647 114.554 -0.004 0.000 2.777 19 T HA -0.111 4.268 4.350 0.049 0.000 0.266 19 T C 1.855 176.546 174.700 -0.014 0.000 1.040 19 T CA 1.739 63.834 62.100 -0.009 0.000 1.141 19 T CB -0.429 68.439 68.868 -0.000 0.000 0.868 19 T HN 0.286 nan 8.240 nan 0.000 0.444 20 T N 2.474 117.023 114.554 -0.008 0.000 2.788 20 T HA -0.045 4.334 4.350 0.049 0.000 0.268 20 T C 1.879 176.574 174.700 -0.008 0.000 1.044 20 T CA 0.806 62.905 62.100 -0.002 0.000 1.139 20 T CB -0.441 68.427 68.868 -0.001 0.000 0.867 20 T HN 0.136 nan 8.240 nan 0.000 0.454 21 L N 1.155 122.354 121.223 -0.040 0.000 1.994 21 L HA 0.016 4.385 4.340 0.049 0.000 0.208 21 L C 2.142 178.949 176.870 -0.106 0.000 1.071 21 L CA 1.676 56.471 54.840 -0.076 0.000 0.745 21 L CB -0.801 41.199 42.059 -0.099 0.000 0.892 21 L HN 0.244 nan 8.230 nan 0.000 0.431 22 L N -0.693 120.456 121.223 -0.122 0.000 2.083 22 L HA -0.196 4.173 4.340 0.049 0.000 0.209 22 L C 2.234 179.042 176.870 -0.105 0.000 1.083 22 L CA 1.331 56.069 54.840 -0.170 0.000 0.752 22 L CB -0.980 41.009 42.059 -0.117 0.000 0.899 22 L HN 0.301 nan 8.230 nan 0.000 0.433 23 D N -1.211 119.160 120.400 -0.049 0.000 2.144 23 D HA -0.206 4.463 4.640 0.049 0.000 0.199 23 D C 2.100 178.384 176.300 -0.027 0.000 0.984 23 D CA 1.043 55.024 54.000 -0.032 0.000 0.834 23 D CB -0.220 40.572 40.800 -0.013 0.000 0.955 23 D HN 0.324 nan 8.370 nan 0.000 0.465 24 H N 0.648 119.667 119.070 -0.084 0.000 2.326 24 H HA 0.006 4.588 4.556 0.044 0.000 0.301 24 H C 2.257 177.531 175.328 -0.091 0.000 1.081 24 H CA 0.870 56.874 56.048 -0.073 0.000 1.334 24 H CB -0.150 29.571 29.762 -0.068 0.000 1.385 24 H HN 0.126 nan 8.280 nan 0.000 0.504 25 I N 0.360 120.934 120.570 0.005 0.000 2.264 25 I HA -0.271 3.928 4.170 0.049 0.000 0.248 25 I C 2.988 179.047 176.117 -0.095 0.000 1.111 25 I CA 0.976 62.224 61.300 -0.086 0.000 1.382 25 I CB -0.311 37.503 38.000 -0.310 0.000 1.060 25 I HN 0.181 nan 8.210 nan 0.000 0.418 26 R N 0.829 121.271 120.500 -0.096 0.000 2.075 26 R HA -0.116 4.253 4.340 0.049 0.000 0.232 26 R C 2.389 178.644 176.300 -0.074 0.000 1.126 26 R CA 1.537 57.600 56.100 -0.062 0.000 0.963 26 R CB -0.595 29.677 30.300 -0.048 0.000 0.858 26 R HN 0.448 nan 8.270 nan 0.000 0.435 27 G N -0.115 108.612 108.800 -0.122 0.000 2.446 27 G HA2 -0.265 3.724 3.960 0.049 0.000 0.217 27 G HA3 -0.265 3.724 3.960 0.049 0.000 0.217 27 G C 1.502 176.316 174.900 -0.143 0.000 1.168 27 G CA 0.994 46.003 45.100 -0.152 0.000 0.771 27 G HN 0.278 nan 8.290 nan 0.000 0.551 28 S N 1.066 116.665 115.700 -0.168 0.000 2.359 28 S HA -0.091 4.408 4.470 0.049 0.000 0.224 28 S C 2.797 177.375 174.600 -0.037 0.000 1.035 28 S CA 1.414 59.559 58.200 -0.093 0.000 1.018 28 S CB -0.469 62.708 63.200 -0.038 0.000 0.876 28 S HN 0.625 nan 8.310 nan 0.000 0.448 29 A N 1.177 123.983 122.820 -0.024 0.000 1.877 29 A HA -0.050 4.299 4.320 0.049 0.000 0.216 29 A C 2.368 179.951 177.584 -0.002 0.000 1.186 29 A CA 1.636 53.675 52.037 0.004 0.000 0.620 29 A CB -1.037 17.977 19.000 0.022 0.000 0.822 29 A HN 0.328 nan 8.150 nan 0.000 0.443 30 V N -0.032 119.873 119.914 -0.016 0.000 2.231 30 V HA -0.240 3.909 4.120 0.049 0.000 0.248 30 V C 2.538 178.623 176.094 -0.016 0.000 1.054 30 V CA 1.905 64.196 62.300 -0.016 0.000 1.015 30 V CB -1.193 30.614 31.823 -0.028 0.000 0.638 30 V HN 0.593 nan 8.190 nan 0.000 0.444 31 A N -0.228 122.575 122.820 -0.028 0.000 2.426 31 A HA 0.253 4.602 4.320 0.049 0.000 0.247 31 A C 1.584 179.162 177.584 -0.011 0.000 1.389 31 A CA 0.966 52.989 52.037 -0.023 0.000 1.129 31 A CB -0.582 18.397 19.000 -0.035 0.000 0.928 31 A HN 0.742 nan 8.150 nan 0.000 0.557 32 S N -2.126 113.572 115.700 -0.002 0.000 2.560 32 S HA 0.277 4.776 4.470 0.049 0.000 0.281 32 S C 0.411 175.019 174.600 0.012 0.000 1.075 32 S CA -0.161 58.043 58.200 0.008 0.000 1.295 32 S CB 0.022 63.230 63.200 0.013 0.000 1.156 32 S HN 0.623 nan 8.310 nan 0.000 0.627 39 T N 4.305 118.875 114.554 0.026 0.000 2.902 39 T HA 0.562 4.941 4.350 0.049 0.000 0.301 39 T C 0.602 175.231 174.700 -0.119 0.000 1.012 39 T CA 0.909 62.978 62.100 -0.051 0.000 1.151 39 T CB 0.681 69.529 68.868 -0.033 0.000 0.946 39 T HN 1.847 nan 8.240 nan 0.000 0.542 40 Q N 2.873 122.563 119.800 -0.183 0.000 2.230 40 Q HA 0.464 4.834 4.340 0.049 0.000 0.248 40 Q C -0.489 175.315 176.000 -0.327 0.000 0.915 40 Q CA -0.609 55.110 55.803 -0.140 0.000 0.900 40 Q CB 0.698 29.405 28.738 -0.051 0.000 1.229 40 Q HN 0.871 nan 8.270 nan 0.000 0.439 41 H N 0.616 119.733 119.070 0.079 0.000 2.865 41 H HA 0.486 5.079 4.556 0.062 0.000 0.372 41 H C -0.610 174.769 175.328 0.084 0.000 1.173 41 H CA -0.891 55.220 56.048 0.106 0.000 1.147 41 H CB 1.698 31.546 29.762 0.142 0.000 1.805 41 H HN 0.615 nan 8.280 nan 0.000 0.553 42 I N 1.310 122.018 120.570 0.230 0.000 2.416 42 I HA 0.042 4.241 4.170 0.049 0.000 0.288 42 I C 1.451 177.648 176.117 0.134 0.000 1.051 42 I CA 0.698 62.096 61.300 0.163 0.000 1.375 42 I CB 0.328 38.407 38.000 0.132 0.000 1.407 42 I HN 1.040 nan 8.210 nan 0.000 0.516 43 G N 4.963 113.819 108.800 0.093 0.000 2.187 43 G HA2 -0.146 3.843 3.960 0.049 0.000 0.261 43 G HA3 -0.146 3.843 3.960 0.049 0.000 0.261 43 G C 0.309 175.217 174.900 0.013 0.000 1.000 43 G CA 0.576 45.710 45.100 0.056 0.000 0.718 43 G HN 1.092 nan 8.290 nan 0.000 0.519 44 A N -2.030 120.781 122.820 -0.015 0.000 2.593 44 A HA 0.951 5.300 4.320 0.049 0.000 0.290 44 A C -0.341 177.144 177.584 -0.165 0.000 1.126 44 A CA 0.314 52.227 52.037 -0.208 0.000 0.695 44 A CB 1.500 20.197 19.000 -0.504 0.000 1.290 44 A HN 0.865 nan 8.150 nan 0.000 0.414 45 T N 1.216 115.604 114.554 -0.277 0.000 2.928 45 T HA 0.434 4.813 4.350 0.049 0.000 0.296 45 T C -1.289 173.368 174.700 -0.071 0.000 1.000 45 T CA -0.363 61.689 62.100 -0.080 0.000 0.989 45 T CB 1.399 70.236 68.868 -0.051 0.000 1.005 45 T HN 0.558 nan 8.240 nan 0.000 0.442 46 E N 3.086 123.350 120.200 0.107 0.000 2.113 46 E HA 0.404 4.784 4.350 0.049 0.000 0.273 46 E C -1.109 175.615 176.600 0.207 0.000 0.924 46 E CA -0.538 55.986 56.400 0.205 0.000 0.764 46 E CB 1.336 31.274 29.700 0.397 0.000 1.104 46 E HN 0.605 nan 8.360 nan 0.000 0.406 47 I N 5.905 126.614 120.570 0.232 0.000 2.355 47 I HA 0.348 4.547 4.170 0.049 0.000 0.288 47 I C -2.543 173.670 176.117 0.160 0.000 0.999 47 I CA -2.542 58.868 61.300 0.184 0.000 1.163 47 I CB 1.617 39.737 38.000 0.199 0.000 1.316 47 I HN 0.213 nan 8.210 nan 0.000 0.454 48 P HA 0.066 nan 4.420 nan 0.000 0.269 48 P C 0.384 177.737 177.300 0.088 0.000 1.209 48 P CA -0.233 62.927 63.100 0.101 0.000 0.776 48 P CB 0.612 32.362 31.700 0.084 0.000 0.876 49 M N 3.254 122.899 119.600 0.075 0.000 2.195 49 M HA -0.202 4.307 4.480 0.049 0.000 0.260 49 M C 1.233 177.570 176.300 0.062 0.000 1.066 49 M CA 1.868 57.208 55.300 0.067 0.000 1.089 49 M CB -1.010 31.623 32.600 0.056 0.000 1.377 49 M HN 0.364 nan 8.290 nan 0.000 0.411 50 D N -1.432 119.002 120.400 0.056 0.000 2.183 50 D HA -0.113 4.556 4.640 0.049 0.000 0.203 50 D C 1.824 178.155 176.300 0.053 0.000 0.969 50 D CA 1.305 55.335 54.000 0.050 0.000 0.842 50 D CB -0.698 40.127 40.800 0.043 0.000 0.957 50 D HN 0.369 nan 8.370 nan 0.000 0.484 51 V N 1.603 121.552 119.914 0.058 0.000 2.358 51 V HA -0.199 3.950 4.120 0.049 0.000 0.246 51 V C 2.732 178.865 176.094 0.065 0.000 1.047 51 V CA 0.990 63.324 62.300 0.057 0.000 1.035 51 V CB -0.406 31.453 31.823 0.060 0.000 0.658 51 V HN 0.166 nan 8.190 nan 0.000 0.452 52 I N -0.069 120.547 120.570 0.076 0.000 2.142 52 I HA -0.240 3.959 4.170 0.049 0.000 0.240 52 I C 2.575 178.735 176.117 0.072 0.000 1.078 52 I CA 1.694 63.042 61.300 0.081 0.000 1.343 52 I CB -0.499 37.554 38.000 0.089 0.000 1.046 52 I HN 0.372 nan 8.210 nan 0.000 0.405 53 E N 0.728 120.968 120.200 0.066 0.000 2.265 53 E HA -0.164 4.215 4.350 0.049 0.000 0.196 53 E C 2.206 178.842 176.600 0.060 0.000 0.996 53 E CA 1.115 57.553 56.400 0.063 0.000 0.832 53 E CB -0.228 29.505 29.700 0.055 0.000 0.756 53 E HN 0.632 nan 8.360 nan 0.000 0.491 54 G N 1.058 109.893 108.800 0.057 0.000 2.408 54 G HA2 -0.153 3.836 3.960 0.049 0.000 0.215 54 G HA3 -0.153 3.836 3.960 0.049 0.000 0.215 54 G C 1.588 176.524 174.900 0.060 0.000 1.156 54 G CA 0.126 45.258 45.100 0.053 0.000 0.793 54 G HN 0.103 nan 8.290 nan 0.000 0.535 55 I N 0.523 121.132 120.570 0.066 0.000 2.406 55 I HA 0.021 4.220 4.170 0.049 0.000 0.249 55 I C 0.513 176.682 176.117 0.086 0.000 1.122 55 I CA 0.010 61.354 61.300 0.074 0.000 1.431 55 I CB 0.023 38.067 38.000 0.073 0.000 1.087 55 I HN 0.033 nan 8.210 nan 0.000 0.424 56 C N 1.744 121.097 119.300 0.087 0.000 2.307 56 C HA 0.532 5.021 4.460 0.049 0.000 0.340 56 C C 1.481 176.539 174.990 0.113 0.000 1.275 56 C CA -1.117 57.967 59.018 0.109 0.000 1.811 56 C CB -0.067 27.724 27.740 0.086 0.000 2.372 56 C HN 0.525 nan 8.230 nan 0.000 0.531 57 G N 2.045 110.929 108.800 0.140 0.000 2.820 57 G HA2 0.001 3.990 3.960 0.049 0.000 0.158 57 G HA3 0.001 3.990 3.960 0.049 0.000 0.158 57 G C 0.701 175.667 174.900 0.109 0.000 1.715 57 G CA 0.188 45.354 45.100 0.110 0.000 1.057 57 G HN 0.771 nan 8.290 nan 0.000 0.525 58 D N -0.104 120.355 120.400 0.097 0.000 2.349 58 D HA -0.037 4.632 4.640 0.049 0.000 0.224 58 D C 1.637 178.015 176.300 0.129 0.000 1.029 58 D CA 0.012 54.058 54.000 0.075 0.000 0.879 58 D CB 0.005 40.828 40.800 0.039 0.000 0.906 58 D HN 0.331 nan 8.370 nan 0.000 0.528 59 F N 1.029 120.964 119.950 -0.024 0.000 2.583 59 F HA -0.060 4.500 4.527 0.055 0.000 0.297 59 F C 1.571 177.305 175.800 -0.110 0.000 1.131 59 F CA 0.206 58.178 58.000 -0.047 0.000 1.467 59 F CB 0.277 39.290 39.000 0.021 0.000 1.097 59 F HN -0.073 nan 8.300 nan 0.000 0.586 60 L N -0.361 120.891 121.223 0.049 0.000 2.590 60 L HA -0.014 4.355 4.340 0.049 0.000 0.227 60 L C 2.023 178.824 176.870 -0.115 0.000 1.099 60 L CA 0.229 55.038 54.840 -0.051 0.000 0.872 60 L CB -0.217 41.878 42.059 0.061 0.000 1.088 60 L HN -0.042 nan 8.230 nan 0.000 0.479 61 K N 1.284 121.637 120.400 -0.080 0.000 2.360 61 K HA -0.173 4.177 4.320 0.049 0.000 0.201 61 K C 1.778 178.291 176.600 -0.145 0.000 1.046 61 K CA 1.052 57.295 56.287 -0.073 0.000 0.945 61 K CB 0.189 32.669 32.500 -0.033 0.000 0.750 61 K HN 0.340 nan 8.250 nan 0.000 0.464 62 K N -0.625 119.577 120.400 -0.331 0.000 2.487 62 K HA -0.018 4.331 4.320 0.049 0.000 0.192 62 K C -0.295 176.092 176.600 -0.355 0.000 1.027 62 K CA 0.359 56.416 56.287 -0.383 0.000 1.054 62 K CB 0.133 32.338 32.500 -0.492 0.000 0.824 62 K HN -0.034 nan 8.250 nan 0.000 0.510 63 F N 2.531 122.458 119.950 -0.039 0.000 2.293 63 F HA 0.147 4.707 4.527 0.056 0.000 0.370 63 F C 1.294 177.076 175.800 -0.030 0.000 1.090 63 F CA -1.186 56.782 58.000 -0.053 0.000 1.133 63 F CB 1.508 40.461 39.000 -0.080 0.000 1.360 63 F HN 0.054 nan 8.300 nan 0.000 0.489 64 S N 1.957 117.744 115.700 0.144 0.000 2.419 64 S HA -0.263 4.237 4.470 0.049 0.000 0.235 64 S C 1.945 176.589 174.600 0.074 0.000 1.019 64 S CA 1.459 59.707 58.200 0.081 0.000 0.982 64 S CB -0.663 62.569 63.200 0.053 0.000 0.789 64 S HN 0.717 nan 8.310 nan 0.000 0.490 65 I N 1.680 122.296 120.570 0.078 0.000 2.423 65 I HA -0.091 4.108 4.170 0.049 0.000 0.254 65 I C 2.330 178.475 176.117 0.047 0.000 1.151 65 I CA 1.555 62.880 61.300 0.043 0.000 1.421 65 I CB -0.794 37.210 38.000 0.008 0.000 1.079 65 I HN 0.253 nan 8.210 nan 0.000 0.431 66 R N 1.112 121.660 120.500 0.079 0.000 2.154 66 R HA -0.218 4.151 4.340 0.049 0.000 0.248 66 R C 1.720 178.050 176.300 0.051 0.000 1.155 66 R CA 1.829 57.973 56.100 0.073 0.000 0.979 66 R CB -0.394 29.965 30.300 0.098 0.000 0.869 66 R HN 0.475 nan 8.270 nan 0.000 0.452 67 E N -0.103 120.125 120.200 0.045 0.000 2.358 67 E HA -0.075 4.305 4.350 0.049 0.000 0.195 67 E C 1.596 178.213 176.600 0.028 0.000 1.010 67 E CA 1.588 58.009 56.400 0.035 0.000 0.856 67 E CB 0.316 30.035 29.700 0.030 0.000 0.795 67 E HN 0.620 nan 8.360 nan 0.000 0.504 68 T N -2.648 111.921 114.554 0.026 0.000 3.054 68 T HA 0.261 4.640 4.350 0.049 0.000 0.255 68 T C 0.852 175.563 174.700 0.018 0.000 1.035 68 T CA -0.222 61.890 62.100 0.020 0.000 0.941 68 T CB 0.089 68.967 68.868 0.016 0.000 1.026 68 T HN -0.126 nan 8.240 nan 0.000 0.533 69 L N 1.405 122.640 121.223 0.021 0.000 2.322 69 L HA 0.443 4.812 4.340 0.049 0.000 0.279 69 L C -1.741 175.145 176.870 0.027 0.000 1.036 69 L CA -2.552 52.299 54.840 0.018 0.000 0.807 69 L CB 1.802 43.869 42.059 0.013 0.000 1.226 69 L HN -0.150 nan 8.230 nan 0.000 0.433 70 P HA 0.056 nan 4.420 nan 0.000 0.225 70 P C 0.527 177.861 177.300 0.056 0.000 1.156 70 P CA 0.463 63.587 63.100 0.039 0.000 0.787 70 P CB 0.452 32.172 31.700 0.035 0.000 0.802 71 G N -1.890 106.941 108.800 0.053 0.000 2.403 71 G HA2 0.196 4.186 3.960 0.049 0.000 0.223 71 G HA3 0.196 4.186 3.960 0.049 0.000 0.223 71 G C -2.103 172.829 174.900 0.053 0.000 1.287 71 G CA -0.761 44.381 45.100 0.070 0.000 0.982 71 G HN 0.044 nan 8.290 nan 0.000 0.471 72 L N -0.146 121.122 121.223 0.076 0.000 2.381 72 L HA 0.735 5.105 4.340 0.049 0.000 0.268 72 L C -1.411 175.474 176.870 0.024 0.000 0.997 72 L CA -0.771 54.047 54.840 -0.038 0.000 0.818 72 L CB 2.545 44.518 42.059 -0.143 0.000 1.310 72 L HN 0.541 nan 8.230 nan 0.000 0.416 73 F N 2.806 122.595 119.950 -0.269 0.000 2.382 73 F HA 0.551 5.110 4.527 0.052 0.000 0.361 73 F C -0.962 174.675 175.800 -0.271 0.000 1.109 73 F CA -0.579 57.321 58.000 -0.167 0.000 1.031 73 F CB 0.678 39.584 39.000 -0.156 0.000 1.234 73 F HN 0.089 nan 8.300 nan 0.000 0.445 74 F N 6.295 126.018 119.950 -0.378 0.000 2.385 74 F HA 0.529 5.025 4.527 -0.052 0.000 0.336 74 F C -0.075 175.488 175.800 -0.394 0.000 1.100 74 F CA -0.793 57.043 58.000 -0.272 0.000 1.116 74 F CB 1.076 39.972 39.000 -0.173 0.000 1.166 74 F HN 0.121 nan 8.300 nan 0.000 0.511 75 I N 2.347 122.902 120.570 -0.024 0.000 2.466 75 I HA 0.170 4.369 4.170 0.049 0.000 0.289 75 I C -0.524 175.607 176.117 0.024 0.000 1.026 75 I CA -0.643 60.636 61.300 -0.034 0.000 1.078 75 I CB 1.617 39.636 38.000 0.031 0.000 1.249 75 I HN 0.479 nan 8.210 nan 0.000 0.429 76 D N 3.560 123.969 120.400 0.015 0.000 2.372 76 D HA 0.026 4.695 4.640 0.049 0.000 0.243 76 D C 0.224 176.548 176.300 0.039 0.000 1.121 76 D CA 0.255 54.271 54.000 0.026 0.000 0.898 76 D CB 1.189 41.998 40.800 0.014 0.000 1.202 76 D HN 0.536 nan 8.370 nan 0.000 0.428 77 T N 3.299 117.889 114.554 0.059 0.000 2.902 77 T HA 0.223 4.602 4.350 0.049 0.000 0.301 77 T C -2.258 172.457 174.700 0.024 0.000 1.012 77 T CA -1.120 61.031 62.100 0.084 0.000 1.151 77 T CB 0.612 69.582 68.868 0.169 0.000 0.946 77 T HN 0.261 nan 8.240 nan 0.000 0.542 78 P HA 0.497 nan 4.420 nan 0.000 0.278 78 P C 0.896 178.181 177.300 -0.025 0.000 1.258 78 P CA 0.225 63.327 63.100 0.002 0.000 0.811 78 P CB 0.542 32.250 31.700 0.013 0.000 1.063 79 G N 0.784 109.580 108.800 -0.008 0.000 2.582 79 G HA2 -0.279 3.710 3.960 0.049 0.000 0.288 79 G HA3 -0.279 3.710 3.960 0.049 0.000 0.288 79 G C -0.614 174.288 174.900 0.004 0.000 1.247 79 G CA 0.391 45.489 45.100 -0.003 0.000 0.972 79 G HN 0.937 nan 8.290 nan 0.000 0.557 80 H N 1.918 120.917 119.070 -0.118 0.000 2.661 80 H HA 0.498 5.086 4.556 0.054 0.000 0.290 80 H C 0.555 175.734 175.328 -0.249 0.000 1.082 80 H CA 0.541 56.497 56.048 -0.154 0.000 1.234 80 H CB 0.124 29.806 29.762 -0.133 0.000 1.387 80 H HN 0.592 nan 8.280 nan 0.000 0.476 81 E N 1.938 121.792 120.200 -0.577 0.000 2.586 81 E HA -0.224 4.155 4.350 0.049 0.000 0.259 81 E C -0.071 175.939 176.600 -0.984 0.000 1.107 81 E CA 0.848 56.710 56.400 -0.896 0.000 0.754 81 E CB -2.072 27.090 29.700 -0.897 0.000 1.335 81 E HN 0.633 nan 8.360 nan 0.000 0.411 82 A N 0.145 122.671 122.820 -0.490 0.000 3.074 82 A HA 0.419 4.768 4.320 0.049 0.000 0.251 82 A C 1.254 178.741 177.584 -0.163 0.000 1.695 82 A CA -0.308 51.564 52.037 -0.275 0.000 1.343 82 A CB -1.326 17.613 19.000 -0.103 0.000 1.078 82 A HN 0.269 nan 8.150 nan 0.000 0.644 83 F N 0.343 120.267 119.950 -0.044 0.000 2.120 83 F HA -0.272 4.280 4.527 0.042 0.000 0.300 83 F C 2.844 178.581 175.800 -0.106 0.000 1.095 83 F CA 1.558 59.507 58.000 -0.085 0.000 1.249 83 F CB -0.678 38.263 39.000 -0.098 0.000 0.995 83 F HN 0.522 nan 8.300 nan 0.000 0.480 84 T N -3.770 110.833 114.554 0.082 0.000 3.051 84 T HA -0.104 4.275 4.350 0.049 0.000 0.269 84 T C 1.524 176.207 174.700 -0.029 0.000 1.127 84 T CA 1.414 63.507 62.100 -0.012 0.000 1.107 84 T CB -0.736 68.104 68.868 -0.047 0.000 0.898 84 T HN 0.182 nan 8.240 nan 0.000 0.517 85 T N 2.103 116.653 114.554 -0.006 0.000 2.995 85 T HA 0.229 4.608 4.350 0.049 0.000 0.269 85 T C 0.815 175.501 174.700 -0.024 0.000 1.091 85 T CA 0.355 62.452 62.100 -0.005 0.000 1.128 85 T CB -0.377 68.495 68.868 0.007 0.000 0.891 85 T HN 0.421 nan 8.240 nan 0.000 0.492 86 L N 3.686 124.882 121.223 -0.045 0.000 2.376 86 L HA 0.301 4.670 4.340 0.049 0.000 0.250 86 L C 0.604 177.381 176.870 -0.154 0.000 1.335 86 L CA -0.321 54.476 54.840 -0.071 0.000 1.214 86 L CB -0.616 41.406 42.059 -0.063 0.000 1.395 86 L HN 0.253 nan 8.230 nan 0.000 0.424 87 R N 1.765 122.197 120.500 -0.114 0.000 2.855 87 R HA 0.884 5.253 4.340 0.049 0.000 0.266 87 R C -1.153 175.097 176.300 -0.083 0.000 1.034 87 R CA -1.096 54.921 56.100 -0.138 0.000 0.944 87 R CB 1.906 32.154 30.300 -0.087 0.000 1.219 87 R HN 0.187 nan 8.270 nan 0.000 0.474 88 K N -1.537 118.804 120.400 -0.098 0.000 2.533 88 K HA 0.525 4.874 4.320 0.049 0.000 0.284 88 K C 0.649 177.216 176.600 -0.056 0.000 1.025 88 K CA -0.583 55.639 56.287 -0.107 0.000 0.900 88 K CB 1.189 33.437 32.500 -0.419 0.000 1.519 88 K HN 0.558 nan 8.250 nan 0.000 0.432 89 R N 0.680 121.168 120.500 -0.019 0.000 2.115 89 R HA -0.107 4.262 4.340 0.049 0.000 0.239 89 R C 2.143 178.436 176.300 -0.011 0.000 1.133 89 R CA 2.615 58.718 56.100 0.006 0.000 0.935 89 R CB -2.225 28.096 30.300 0.036 0.000 0.853 89 R HN 0.832 nan 8.270 nan 0.000 0.433 90 G N -1.145 107.630 108.800 -0.043 0.000 3.061 90 G HA2 0.421 4.410 3.960 0.049 0.000 0.208 90 G HA3 0.421 4.410 3.960 0.049 0.000 0.208 90 G C 0.934 175.827 174.900 -0.011 0.000 1.175 90 G CA 0.961 46.042 45.100 -0.032 0.000 0.812 90 G HN 1.436 nan 8.290 nan 0.000 0.523 91 G N -0.993 107.821 108.800 0.023 0.000 2.233 91 G HA2 0.452 4.441 3.960 0.049 0.000 0.162 91 G HA3 0.452 4.441 3.960 0.049 0.000 0.162 91 G C -0.180 174.782 174.900 0.103 0.000 1.327 91 G CA -0.147 45.046 45.100 0.154 0.000 1.187 91 G HN 1.055 nan 8.290 nan 0.000 0.479 92 A N -0.362 122.485 122.820 0.045 0.000 2.371 92 A HA 0.643 4.992 4.320 0.049 0.000 0.257 92 A C 1.459 178.922 177.584 -0.201 0.000 1.089 92 A CA 0.619 52.511 52.037 -0.242 0.000 0.794 92 A CB 0.976 19.805 19.000 -0.285 0.000 1.029 92 A HN 1.894 nan 8.150 nan 0.000 0.488 93 L N 2.469 123.563 121.223 -0.215 0.000 2.056 93 L HA 0.142 4.511 4.340 0.049 0.000 0.207 93 L C 1.483 178.264 176.870 -0.148 0.000 1.078 93 L CA 2.229 56.952 54.840 -0.195 0.000 0.749 93 L CB -0.670 41.324 42.059 -0.107 0.000 0.901 93 L HN 0.741 nan 8.230 nan 0.000 0.433 94 A N -0.654 122.089 122.820 -0.128 0.000 2.340 94 A HA 0.215 4.564 4.320 0.049 0.000 0.268 94 A C 0.741 178.264 177.584 -0.100 0.000 1.100 94 A CA -0.026 51.954 52.037 -0.096 0.000 0.803 94 A CB 0.082 19.028 19.000 -0.090 0.000 1.043 94 A HN 0.445 nan 8.150 nan 0.000 0.488 95 D N 0.383 120.732 120.400 -0.086 0.000 2.240 95 D HA 0.147 4.816 4.640 0.049 0.000 0.206 95 D C 0.323 176.574 176.300 -0.082 0.000 0.963 95 D CA 1.143 55.097 54.000 -0.078 0.000 0.863 95 D CB 0.153 40.914 40.800 -0.064 0.000 0.973 95 D HN 0.463 nan 8.370 nan 0.000 0.501 96 L N -0.528 120.643 121.223 -0.086 0.000 2.341 96 L HA 0.707 5.076 4.340 0.049 0.000 0.254 96 L C -0.856 175.975 176.870 -0.066 0.000 1.040 96 L CA -1.035 53.759 54.840 -0.076 0.000 0.837 96 L CB 2.354 44.366 42.059 -0.078 0.000 1.425 96 L HN -0.215 nan 8.230 nan 0.000 0.414 97 A N 0.917 123.723 122.820 -0.022 0.000 2.539 97 A HA 0.856 5.205 4.320 0.049 0.000 0.296 97 A C -1.404 176.199 177.584 0.031 0.000 1.073 97 A CA -0.416 51.607 52.037 -0.024 0.000 0.700 97 A CB 1.630 20.578 19.000 -0.086 0.000 1.296 97 A HN 0.569 nan 8.150 nan 0.000 0.405 98 I N 1.758 122.332 120.570 0.006 0.000 2.389 98 I HA 0.308 4.507 4.170 0.049 0.000 0.288 98 I C -0.694 175.388 176.117 -0.058 0.000 0.999 98 I CA -0.385 60.928 61.300 0.022 0.000 1.129 98 I CB 1.626 39.658 38.000 0.053 0.000 1.288 98 I HN 0.529 nan 8.210 nan 0.000 0.444 99 L N 7.806 128.992 121.223 -0.061 0.000 2.259 99 L HA 0.500 4.869 4.340 0.049 0.000 0.288 99 L C -0.403 176.391 176.870 -0.126 0.000 1.051 99 L CA -0.458 54.270 54.840 -0.186 0.000 0.824 99 L CB 1.048 42.940 42.059 -0.278 0.000 1.206 99 L HN 0.588 nan 8.230 nan 0.000 0.429 100 I N 5.103 125.603 120.570 -0.117 0.000 2.396 100 I HA 0.388 4.587 4.170 0.049 0.000 0.292 100 I C -0.933 175.157 176.117 -0.044 0.000 0.999 100 I CA -0.167 61.092 61.300 -0.068 0.000 1.310 100 I CB 1.716 39.696 38.000 -0.034 0.000 1.404 100 I HN 0.395 nan 8.210 nan 0.000 0.496 101 V N 7.215 127.099 119.914 -0.050 0.000 2.808 101 V HA 0.307 4.456 4.120 0.049 0.000 0.308 101 V C -0.941 175.030 176.094 -0.205 0.000 1.099 101 V CA -0.735 61.548 62.300 -0.029 0.000 0.920 101 V CB 1.982 33.739 31.823 -0.109 0.000 1.014 101 V HN 0.792 nan 8.190 nan 0.000 0.425 102 D N 4.769 124.808 120.400 -0.601 0.000 2.412 102 D HA 0.020 4.689 4.640 0.049 0.000 0.257 102 D C 1.183 177.313 176.300 -0.284 0.000 1.217 102 D CA 0.405 54.087 54.000 -0.531 0.000 0.897 102 D CB 1.063 41.364 40.800 -0.830 0.000 1.132 102 D HN 0.662 nan 8.370 nan 0.000 0.493 103 I N 4.248 124.708 120.570 -0.184 0.000 2.423 103 I HA -0.289 3.910 4.170 0.049 0.000 0.254 103 I C 1.361 177.430 176.117 -0.080 0.000 1.151 103 I CA 0.812 62.044 61.300 -0.113 0.000 1.421 103 I CB 0.156 38.085 38.000 -0.117 0.000 1.079 103 I HN 0.359 nan 8.210 nan 0.000 0.431 104 N N 0.499 119.139 118.700 -0.099 0.000 2.290 104 N HA -0.105 4.664 4.740 0.049 0.000 0.179 104 N C 1.516 177.002 175.510 -0.041 0.000 1.016 104 N CA 0.999 54.017 53.050 -0.053 0.000 0.871 104 N CB -0.110 38.348 38.487 -0.049 0.000 0.987 104 N HN 0.452 nan 8.380 nan 0.000 0.431 105 E N 0.698 120.846 120.200 -0.086 0.000 2.190 105 E HA 0.113 4.493 4.350 0.049 0.000 0.191 105 E C 1.293 177.898 176.600 0.008 0.000 0.978 105 E CA 0.421 56.797 56.400 -0.040 0.000 0.839 105 E CB 0.090 29.756 29.700 -0.057 0.000 0.787 105 E HN 0.284 nan 8.360 nan 0.000 0.473 106 G N 1.396 110.193 108.800 -0.006 0.000 2.693 106 G HA2 -0.280 3.709 3.960 0.049 0.000 0.226 106 G HA3 -0.280 3.709 3.960 0.049 0.000 0.226 106 G C -0.468 174.547 174.900 0.190 0.000 1.354 106 G CA -0.369 44.796 45.100 0.109 0.000 0.873 106 G HN 0.115 nan 8.290 nan 0.000 0.562 107 F N 1.760 121.719 119.950 0.015 0.000 2.572 107 F HA 0.462 5.023 4.527 0.056 0.000 0.370 107 F C 1.264 177.048 175.800 -0.027 0.000 1.103 107 F CA 0.534 58.538 58.000 0.007 0.000 1.286 107 F CB 0.916 39.904 39.000 -0.020 0.000 1.105 107 F HN 0.350 nan 8.300 nan 0.000 0.583 108 K N 4.544 124.919 120.400 -0.041 0.000 2.378 108 K HA 0.369 4.718 4.320 0.049 0.000 0.244 108 K C -1.866 174.678 176.600 -0.093 0.000 1.039 108 K CA -1.950 54.192 56.287 -0.241 0.000 0.863 108 K CB 0.885 32.824 32.500 -0.934 0.000 1.326 108 K HN 0.051 nan 8.250 nan 0.000 0.460 109 P HA -0.194 nan 4.420 nan 0.000 0.216 109 P C 0.924 178.433 177.300 0.349 0.000 1.157 109 P CA 1.606 64.879 63.100 0.288 0.000 0.880 109 P CB 0.407 32.284 31.700 0.295 0.000 0.791 110 Q N -1.530 118.519 119.800 0.415 0.000 2.297 110 Q HA -0.041 4.328 4.340 0.049 0.000 0.204 110 Q C 1.954 178.049 176.000 0.158 0.000 0.962 110 Q CA 1.323 57.346 55.803 0.368 0.000 0.879 110 Q CB -1.130 27.795 28.738 0.313 0.000 0.947 110 Q HN 0.334 nan 8.270 nan 0.000 0.462 111 T N 1.119 115.653 114.554 -0.034 0.000 2.777 111 T HA -0.182 4.197 4.350 0.049 0.000 0.266 111 T C 1.839 176.357 174.700 -0.303 0.000 1.040 111 T CA 1.507 63.395 62.100 -0.355 0.000 1.141 111 T CB -0.083 68.333 68.868 -0.753 0.000 0.868 111 T HN 0.177 nan 8.240 nan 0.000 0.444 112 Q N 1.314 121.048 119.800 -0.109 0.000 2.124 112 Q HA -0.119 4.250 4.340 0.049 0.000 0.202 112 Q C 2.121 178.026 176.000 -0.158 0.000 0.977 112 Q CA 1.800 57.522 55.803 -0.135 0.000 0.850 112 Q CB -0.292 28.185 28.738 -0.435 0.000 0.901 112 Q HN 0.558 nan 8.270 nan 0.000 0.429 113 E N -0.408 119.812 120.200 0.033 0.000 2.031 113 E HA -0.150 4.229 4.350 0.049 0.000 0.193 113 E C 1.761 178.365 176.600 0.006 0.000 0.994 113 E CA 1.635 58.151 56.400 0.194 0.000 0.800 113 E CB -0.551 29.400 29.700 0.418 0.000 0.752 113 E HN 0.424 nan 8.360 nan 0.000 0.447 114 A N 1.078 123.768 122.820 -0.217 0.000 1.883 114 A HA -0.177 4.172 4.320 0.049 0.000 0.217 114 A C 2.359 179.669 177.584 -0.456 0.000 1.186 114 A CA 1.477 53.144 52.037 -0.617 0.000 0.624 114 A CB -0.926 17.472 19.000 -1.003 0.000 0.822 114 A HN 0.428 nan 8.150 nan 0.000 0.444 115 L N -0.174 120.815 121.223 -0.389 0.000 2.012 115 L HA -0.251 4.119 4.340 0.049 0.000 0.210 115 L C 2.137 178.881 176.870 -0.209 0.000 1.073 115 L CA 2.057 56.664 54.840 -0.387 0.000 0.748 115 L CB -0.633 41.317 42.059 -0.181 0.000 0.891 115 L HN 0.433 nan 8.230 nan 0.000 0.431 116 N N 0.135 118.778 118.700 -0.094 0.000 2.166 116 N HA -0.179 4.591 4.740 0.049 0.000 0.186 116 N C 1.774 177.286 175.510 0.002 0.000 1.019 116 N CA 1.388 54.433 53.050 -0.007 0.000 0.856 116 N CB -0.255 38.242 38.487 0.018 0.000 0.993 116 N HN 0.424 nan 8.380 nan 0.000 0.426 117 I N 0.720 121.271 120.570 -0.031 0.000 2.233 117 I HA -0.188 4.011 4.170 0.049 0.000 0.243 117 I C 2.079 178.219 176.117 0.038 0.000 1.093 117 I CA 0.651 61.973 61.300 0.037 0.000 1.380 117 I CB -0.155 37.830 38.000 -0.026 0.000 1.067 117 I HN 0.036 nan 8.210 nan 0.000 0.413 118 L N 0.434 121.568 121.223 -0.148 0.000 2.012 118 L HA -0.247 4.122 4.340 0.049 0.000 0.210 118 L C 2.784 179.660 176.870 0.009 0.000 1.073 118 L CA 1.589 56.319 54.840 -0.185 0.000 0.748 118 L CB -0.626 41.082 42.059 -0.586 0.000 0.891 118 L HN 0.258 nan 8.230 nan 0.000 0.431 119 R N 0.608 121.150 120.500 0.070 0.000 2.083 119 R HA -0.240 4.129 4.340 0.049 0.000 0.237 119 R C 2.369 178.729 176.300 0.100 0.000 1.137 119 R CA 1.994 58.234 56.100 0.234 0.000 0.951 119 R CB -0.411 30.077 30.300 0.314 0.000 0.851 119 R HN 0.275 nan 8.270 nan 0.000 0.434 120 M N -0.589 119.045 119.600 0.058 0.000 2.159 120 M HA -0.163 4.346 4.480 0.049 0.000 0.263 120 M C 0.760 176.994 176.300 -0.110 0.000 1.063 120 M CA 1.696 56.974 55.300 -0.035 0.000 1.110 120 M CB 0.061 32.639 32.600 -0.036 0.000 1.374 120 M HN 0.264 nan 8.290 nan 0.000 0.411 121 Y N 0.530 120.797 120.300 -0.054 0.000 2.461 121 Y HA 0.289 4.879 4.550 0.067 0.000 0.277 121 Y C 0.333 176.202 175.900 -0.053 0.000 1.182 121 Y CA 0.129 58.193 58.100 -0.061 0.000 1.276 121 Y CB 0.030 38.445 38.460 -0.075 0.000 1.087 121 Y HN 0.261 nan 8.280 nan 0.000 0.519 122 R N 0.047 120.597 120.500 0.083 0.000 3.516 122 R HA -0.190 4.179 4.340 0.049 0.000 0.271 122 R C 0.184 176.493 176.300 0.015 0.000 1.098 122 R CA 0.936 57.063 56.100 0.046 0.000 0.732 122 R CB -2.390 27.910 30.300 -0.000 0.000 1.152 122 R HN 0.295 nan 8.270 nan 0.000 0.455 123 T N 0.122 114.703 114.554 0.044 0.000 2.771 123 T HA 0.445 4.824 4.350 0.049 0.000 0.291 123 T C -2.171 172.537 174.700 0.013 0.000 0.954 123 T CA -1.907 60.181 62.100 -0.019 0.000 1.045 123 T CB 1.242 70.088 68.868 -0.036 0.000 0.917 123 T HN -0.097 nan 8.240 nan 0.000 0.484 124 P HA 0.313 nan 4.420 nan 0.000 0.266 124 P C -0.864 176.422 177.300 -0.024 0.000 1.195 124 P CA -0.112 62.821 63.100 -0.278 0.000 0.768 124 P CB 0.049 31.380 31.700 -0.616 0.000 0.838 125 F N 0.670 120.497 119.950 -0.205 0.000 2.711 125 F HA 0.731 5.278 4.527 0.034 0.000 0.313 125 F C -1.272 174.428 175.800 -0.166 0.000 1.141 125 F CA -1.543 56.351 58.000 -0.177 0.000 0.941 125 F CB 0.648 39.527 39.000 -0.201 0.000 1.349 125 F HN 0.225 nan 8.300 nan 0.000 0.464 126 V N -0.738 119.167 119.914 -0.015 0.000 3.046 126 V HA 0.895 5.044 4.120 0.049 0.000 0.316 126 V C -1.229 174.912 176.094 0.078 0.000 1.104 126 V CA -1.205 61.043 62.300 -0.088 0.000 1.006 126 V CB 1.458 33.254 31.823 -0.046 0.000 1.058 126 V HN 0.855 nan 8.190 nan 0.000 0.440 127 V N 1.993 121.924 119.914 0.028 0.000 2.384 127 V HA 0.766 4.916 4.120 0.049 0.000 0.287 127 V C 0.545 176.626 176.094 -0.021 0.000 1.020 127 V CA 0.012 62.337 62.300 0.042 0.000 0.850 127 V CB 1.241 33.100 31.823 0.060 0.000 0.987 127 V HN 1.309 nan 8.190 nan 0.000 0.436 128 A N 4.392 127.188 122.820 -0.040 0.000 2.260 128 A HA 0.772 5.121 4.320 0.049 0.000 0.312 128 A C 0.469 178.001 177.584 -0.087 0.000 1.321 128 A CA -0.272 51.721 52.037 -0.073 0.000 0.928 128 A CB 0.657 19.615 19.000 -0.069 0.000 1.158 128 A HN 1.218 nan 8.150 nan 0.000 0.542 129 A N 3.902 126.656 122.820 -0.110 0.000 2.666 129 A HA 0.437 4.786 4.320 0.049 0.000 0.312 129 A C 0.367 177.865 177.584 -0.144 0.000 1.471 129 A CA -0.455 51.511 52.037 -0.119 0.000 1.134 129 A CB -0.708 18.214 19.000 -0.130 0.000 1.129 129 A HN 0.834 nan 8.150 nan 0.000 0.539 130 N N 1.409 120.026 118.700 -0.139 0.000 2.445 130 N HA 0.224 4.993 4.740 0.049 0.000 0.264 130 N C 0.027 175.435 175.510 -0.170 0.000 1.227 130 N CA 0.158 53.121 53.050 -0.146 0.000 0.963 130 N CB 0.199 38.617 38.487 -0.116 0.000 1.188 130 N HN 0.531 nan 8.380 nan 0.000 0.491 131 K N 0.411 120.709 120.400 -0.171 0.000 3.218 131 K HA -0.142 4.207 4.320 0.049 0.000 0.276 131 K C 0.844 177.293 176.600 -0.250 0.000 1.173 131 K CA 0.767 56.947 56.287 -0.179 0.000 0.812 131 K CB -2.129 30.285 32.500 -0.143 0.000 1.275 131 K HN 0.643 nan 8.250 nan 0.000 0.504 132 I N -1.525 118.831 120.570 -0.357 0.000 2.756 132 I HA -0.168 4.031 4.170 0.049 0.000 0.262 132 I C 1.849 177.421 176.117 -0.908 0.000 1.225 132 I CA 1.452 62.391 61.300 -0.602 0.000 1.472 132 I CB -0.304 37.243 38.000 -0.756 0.000 1.094 132 I HN 0.183 nan 8.210 nan 0.000 0.454 133 D N 1.856 121.882 120.400 -0.623 0.000 2.348 133 D HA -0.195 4.474 4.640 0.049 0.000 0.216 133 D C 1.770 177.971 176.300 -0.165 0.000 0.970 133 D CA 0.671 54.412 54.000 -0.431 0.000 0.889 133 D CB -0.293 40.413 40.800 -0.156 0.000 0.912 133 D HN 0.504 nan 8.370 nan 0.000 0.524 134 R N 0.032 120.438 120.500 -0.157 0.000 2.334 134 R HA 0.312 4.681 4.340 0.049 0.000 0.216 134 R C 0.570 176.873 176.300 0.004 0.000 0.905 134 R CA -0.289 55.780 56.100 -0.051 0.000 1.064 134 R CB 0.595 30.865 30.300 -0.050 0.000 1.046 134 R HN 0.197 nan 8.270 nan 0.000 0.508 135 I N 2.261 122.834 120.570 0.005 0.000 2.533 135 I HA -0.079 4.120 4.170 0.049 0.000 0.284 135 I C 0.911 177.166 176.117 0.228 0.000 1.109 135 I CA -0.130 61.244 61.300 0.124 0.000 1.412 135 I CB 0.232 38.334 38.000 0.170 0.000 1.396 135 I HN 0.160 nan 8.210 nan 0.000 0.543 136 H N 6.669 125.808 119.070 0.116 0.000 3.167 136 H HA -0.077 4.508 4.556 0.048 0.000 0.306 136 H C 1.125 176.535 175.328 0.138 0.000 0.965 136 H CA 1.252 57.365 56.048 0.109 0.000 1.408 136 H CB 0.442 30.251 29.762 0.078 0.000 1.406 136 H HN 0.914 nan 8.280 nan 0.000 0.576 137 G N 4.787 113.579 108.800 -0.012 0.000 2.176 137 G HA2 -0.265 3.724 3.960 0.049 0.000 0.253 137 G HA3 -0.265 3.724 3.960 0.049 0.000 0.253 137 G C 0.371 175.345 174.900 0.123 0.000 0.979 137 G CA 0.095 45.253 45.100 0.097 0.000 0.641 137 G HN 0.703 nan 8.290 nan 0.000 0.530 138 W N 2.405 123.709 121.300 0.006 0.000 2.210 138 W HA 0.566 5.258 4.660 0.053 0.000 0.330 138 W C 0.085 176.577 176.519 -0.045 0.000 1.334 138 W CA 0.059 57.409 57.345 0.009 0.000 1.227 138 W CB 0.357 29.839 29.460 0.037 0.000 1.178 138 W HN 0.114 nan 8.180 nan 0.000 0.560 139 R N 4.624 124.869 120.500 -0.426 0.000 2.310 139 R HA 0.288 4.657 4.340 0.049 0.000 0.324 139 R C -0.518 175.468 176.300 -0.522 0.000 0.955 139 R CA -0.817 55.074 56.100 -0.348 0.000 0.830 139 R CB 1.786 31.888 30.300 -0.331 0.000 1.154 139 R HN 0.178 nan 8.270 nan 0.000 0.458 140 V N 4.577 124.382 119.914 -0.183 0.000 2.585 140 V HA -0.004 4.145 4.120 0.049 0.000 0.296 140 V C 0.329 176.189 176.094 -0.391 0.000 1.035 140 V CA 0.312 62.561 62.300 -0.085 0.000 1.084 140 V CB 0.392 32.252 31.823 0.061 0.000 0.953 140 V HN 0.685 nan 8.190 nan 0.000 0.483 141 H N 3.838 122.983 119.070 0.124 0.000 2.675 141 H HA 0.261 4.846 4.556 0.048 0.000 0.258 141 H C -0.049 175.341 175.328 0.103 0.000 1.271 141 H CA -0.755 55.336 56.048 0.072 0.000 1.462 141 H CB 0.578 30.357 29.762 0.027 0.000 1.467 141 H HN 0.673 nan 8.280 nan 0.000 0.501 142 E N 1.219 121.515 120.200 0.160 0.000 3.311 142 E HA -0.125 4.254 4.350 0.049 0.000 0.264 142 E C 1.268 177.955 176.600 0.146 0.000 0.875 142 E CA 1.169 57.652 56.400 0.139 0.000 0.969 142 E CB 0.256 30.022 29.700 0.111 0.000 0.910 142 E HN 0.980 nan 8.360 nan 0.000 0.548 143 G N 3.659 112.547 108.800 0.147 0.000 2.244 143 G HA2 -0.343 3.646 3.960 0.049 0.000 0.274 143 G HA3 -0.343 3.646 3.960 0.049 0.000 0.274 143 G C 0.351 175.330 174.900 0.133 0.000 1.002 143 G CA 0.637 45.823 45.100 0.144 0.000 0.740 143 G HN 0.358 nan 8.290 nan 0.000 0.516 144 R N 0.058 120.647 120.500 0.148 0.000 2.531 144 R HA 0.361 4.730 4.340 0.049 0.000 0.273 144 R C -2.339 174.055 176.300 0.157 0.000 1.070 144 R CA -2.117 54.066 56.100 0.137 0.000 1.112 144 R CB 0.139 30.519 30.300 0.132 0.000 1.049 144 R HN 0.063 nan 8.270 nan 0.000 0.508 145 P HA -0.056 nan 4.420 nan 0.000 0.267 145 P C 0.535 177.978 177.300 0.240 0.000 1.200 145 P CA 0.058 63.272 63.100 0.190 0.000 0.772 145 P CB 0.245 32.050 31.700 0.175 0.000 0.855 146 F N 2.946 123.015 119.950 0.197 0.000 2.091 146 F HA -0.260 4.299 4.527 0.052 0.000 0.299 146 F C 1.838 177.833 175.800 0.325 0.000 1.103 146 F CA 1.971 60.136 58.000 0.274 0.000 1.228 146 F CB -0.456 38.701 39.000 0.262 0.000 0.984 146 F HN 0.132 nan 8.300 nan 0.000 0.477 147 M N 0.295 120.021 119.600 0.210 0.000 2.149 147 M HA -0.229 4.280 4.480 0.049 0.000 0.261 147 M C 2.214 178.505 176.300 -0.015 0.000 1.064 147 M CA 1.718 57.065 55.300 0.078 0.000 1.102 147 M CB -1.555 31.162 32.600 0.196 0.000 1.369 147 M HN 0.411 nan 8.290 nan 0.000 0.408 148 E N 0.058 120.264 120.200 0.010 0.000 2.046 148 E HA -0.152 4.228 4.350 0.049 0.000 0.190 148 E C 1.871 178.417 176.600 -0.091 0.000 0.982 148 E CA 1.913 58.292 56.400 -0.035 0.000 0.800 148 E CB 0.172 29.870 29.700 -0.004 0.000 0.756 148 E HN 0.608 nan 8.360 nan 0.000 0.449 149 T N -0.930 113.612 114.554 -0.020 0.000 2.812 149 T HA -0.144 4.235 4.350 0.049 0.000 0.264 149 T C 1.768 176.392 174.700 -0.127 0.000 1.042 149 T CA 0.822 62.941 62.100 0.031 0.000 1.140 149 T CB -0.628 68.421 68.868 0.302 0.000 0.870 149 T HN 0.166 nan 8.240 nan 0.000 0.445 150 F N 3.494 123.222 119.950 -0.370 0.000 2.095 150 F HA -0.123 4.435 4.527 0.051 0.000 0.298 150 F C 2.698 178.316 175.800 -0.303 0.000 1.104 150 F CA 1.602 59.342 58.000 -0.434 0.000 1.232 150 F CB -0.763 37.759 39.000 -0.796 0.000 0.987 150 F HN 0.327 nan 8.300 nan 0.000 0.475 151 S N -0.642 114.926 115.700 -0.220 0.000 2.469 151 S HA -0.188 4.311 4.470 0.049 0.000 0.238 151 S C 1.664 176.099 174.600 -0.276 0.000 0.998 151 S CA 1.184 59.241 58.200 -0.238 0.000 0.957 151 S CB -0.688 62.445 63.200 -0.113 0.000 0.764 151 S HN 0.561 nan 8.310 nan 0.000 0.514 152 K N 0.287 120.507 120.400 -0.300 0.000 2.374 152 K HA 0.227 4.576 4.320 0.049 0.000 0.196 152 K C 0.207 176.645 176.600 -0.269 0.000 1.023 152 K CA -0.100 56.026 56.287 -0.268 0.000 1.103 152 K CB 0.241 32.537 32.500 -0.340 0.000 0.848 152 K HN 0.388 nan 8.250 nan 0.000 0.528 153 Q N 1.271 120.821 119.800 -0.417 0.000 2.312 153 Q HA 0.101 4.470 4.340 0.049 0.000 0.236 153 Q C -0.369 175.445 176.000 -0.311 0.000 0.965 153 Q CA 0.008 55.546 55.803 -0.443 0.000 0.894 153 Q CB 0.658 29.009 28.738 -0.645 0.000 1.225 153 Q HN 0.087 nan 8.270 nan 0.000 0.478 154 D N 1.237 121.512 120.400 -0.209 0.000 2.399 154 D HA 0.023 4.693 4.640 0.049 0.000 0.241 154 D C 1.547 177.762 176.300 -0.141 0.000 1.133 154 D CA 0.051 53.970 54.000 -0.136 0.000 0.890 154 D CB 0.973 41.732 40.800 -0.070 0.000 1.201 154 D HN 0.454 nan 8.370 nan 0.000 0.432 155 I N 1.095 121.597 120.570 -0.114 0.000 2.145 155 I HA -0.386 3.813 4.170 0.049 0.000 0.244 155 I C 2.615 178.708 176.117 -0.040 0.000 1.075 155 I CA 1.383 62.628 61.300 -0.092 0.000 1.332 155 I CB -0.230 37.737 38.000 -0.055 0.000 1.033 155 I HN 0.467 nan 8.210 nan 0.000 0.410 156 Q N 0.636 120.429 119.800 -0.011 0.000 2.167 156 Q HA -0.129 4.240 4.340 0.049 0.000 0.202 156 Q C 2.178 178.218 176.000 0.066 0.000 0.970 156 Q CA 1.632 57.453 55.803 0.029 0.000 0.855 156 Q CB -1.081 27.673 28.738 0.026 0.000 0.911 156 Q HN 0.417 nan 8.270 nan 0.000 0.438 157 V N 1.746 121.694 119.914 0.056 0.000 2.453 157 V HA -0.235 3.914 4.120 0.049 0.000 0.247 157 V C 2.565 178.776 176.094 0.194 0.000 1.048 157 V CA 1.925 64.306 62.300 0.135 0.000 1.049 157 V CB -0.625 31.257 31.823 0.098 0.000 0.672 157 V HN 0.337 nan 8.190 nan 0.000 0.457 158 Q N -0.511 119.312 119.800 0.038 0.000 2.084 158 Q HA -0.297 4.072 4.340 0.049 0.000 0.202 158 Q C 2.390 178.594 176.000 0.339 0.000 0.978 158 Q CA 1.933 57.779 55.803 0.071 0.000 0.844 158 Q CB -0.201 28.292 28.738 -0.408 0.000 0.898 158 Q HN 0.538 nan 8.270 nan 0.000 0.426 159 Q N 1.360 121.276 119.800 0.193 0.000 2.084 159 Q HA -0.202 4.167 4.340 0.049 0.000 0.202 159 Q C 1.771 177.894 176.000 0.205 0.000 0.978 159 Q CA 1.883 57.802 55.803 0.193 0.000 0.844 159 Q CB -0.087 28.722 28.738 0.119 0.000 0.898 159 Q HN 0.226 nan 8.270 nan 0.000 0.426 160 K N -0.507 120.009 120.400 0.194 0.000 2.097 160 K HA -0.124 4.225 4.320 0.049 0.000 0.205 160 K C 2.048 178.773 176.600 0.209 0.000 1.050 160 K CA 1.202 57.596 56.287 0.178 0.000 0.938 160 K CB -0.338 32.261 32.500 0.165 0.000 0.718 160 K HN 0.358 nan 8.250 nan 0.000 0.442 161 L N 0.907 122.312 121.223 0.303 0.000 2.017 161 L HA -0.177 4.192 4.340 0.049 0.000 0.208 161 L C 1.583 178.566 176.870 0.187 0.000 1.073 161 L CA 1.986 57.003 54.840 0.296 0.000 0.745 161 L CB -0.344 42.041 42.059 0.544 0.000 0.894 161 L HN 0.209 nan 8.230 nan 0.000 0.432 162 D N -0.928 119.613 120.400 0.235 0.000 2.178 162 D HA -0.168 4.501 4.640 0.049 0.000 0.201 162 D C 2.051 178.437 176.300 0.143 0.000 0.980 162 D CA 1.462 55.534 54.000 0.120 0.000 0.842 162 D CB 0.107 41.051 40.800 0.240 0.000 0.948 162 D HN 0.347 nan 8.370 nan 0.000 0.472 163 T N 0.355 115.027 114.554 0.197 0.000 2.708 163 T HA -0.117 4.262 4.350 0.049 0.000 0.266 163 T C 1.763 176.543 174.700 0.134 0.000 1.037 163 T CA 0.952 63.169 62.100 0.196 0.000 1.146 163 T CB 0.007 68.963 68.868 0.147 0.000 0.865 163 T HN 0.055 nan 8.240 nan 0.000 0.435 164 K N 1.044 121.496 120.400 0.087 0.000 2.097 164 K HA 0.031 4.380 4.320 0.049 0.000 0.206 164 K C 2.328 178.934 176.600 0.009 0.000 1.049 164 K CA 0.650 56.967 56.287 0.049 0.000 0.933 164 K CB -1.076 31.444 32.500 0.033 0.000 0.717 164 K HN 0.256 nan 8.250 nan 0.000 0.442 165 V N 0.507 120.387 119.914 -0.057 0.000 2.358 165 V HA -0.230 3.919 4.120 0.049 0.000 0.246 165 V C 2.010 177.998 176.094 -0.177 0.000 1.047 165 V CA 1.512 63.710 62.300 -0.169 0.000 1.035 165 V CB -0.586 31.046 31.823 -0.319 0.000 0.658 165 V HN 0.214 nan 8.190 nan 0.000 0.452 166 Y N 0.492 120.804 120.300 0.020 0.000 2.497 166 Y HA -0.151 4.430 4.550 0.051 0.000 0.292 166 Y C 2.517 178.421 175.900 0.007 0.000 1.137 166 Y CA 1.117 59.224 58.100 0.011 0.000 1.285 166 Y CB -0.046 38.421 38.460 0.013 0.000 0.991 166 Y HN 0.399 nan 8.280 nan 0.000 0.556 167 E N -0.597 119.681 120.200 0.129 0.000 2.216 167 E HA -0.149 4.230 4.350 0.049 0.000 0.192 167 E C 1.749 178.371 176.600 0.036 0.000 0.988 167 E CA 0.541 56.987 56.400 0.077 0.000 0.834 167 E CB -0.090 29.649 29.700 0.064 0.000 0.772 167 E HN 0.331 nan 8.360 nan 0.000 0.479 168 L N 0.582 121.829 121.223 0.039 0.000 2.072 168 L HA -0.120 4.250 4.340 0.049 0.000 0.205 168 L C 2.278 179.154 176.870 0.011 0.000 1.079 168 L CA 1.116 55.980 54.840 0.039 0.000 0.752 168 L CB -0.408 41.696 42.059 0.075 0.000 0.906 168 L HN -0.029 nan 8.230 nan 0.000 0.436 169 V N -0.436 119.505 119.914 0.046 0.000 2.343 169 V HA -0.227 3.922 4.120 0.049 0.000 0.247 169 V C 2.548 178.697 176.094 0.092 0.000 1.051 169 V CA 1.832 64.184 62.300 0.086 0.000 1.036 169 V CB -1.470 30.450 31.823 0.162 0.000 0.654 169 V HN 0.572 nan 8.190 nan 0.000 0.451 170 G N -0.066 108.779 108.800 0.074 0.000 2.418 170 G HA2 -0.333 3.656 3.960 0.049 0.000 0.217 170 G HA3 -0.333 3.656 3.960 0.049 0.000 0.217 170 G C 1.596 176.506 174.900 0.016 0.000 1.158 170 G CA 1.245 46.379 45.100 0.057 0.000 0.771 170 G HN 0.478 nan 8.290 nan 0.000 0.545 171 K N -0.041 120.296 120.400 -0.105 0.000 2.057 171 K HA 0.065 4.415 4.320 0.049 0.000 0.206 171 K C 2.290 178.722 176.600 -0.279 0.000 1.050 171 K CA 0.608 56.722 56.287 -0.289 0.000 0.935 171 K CB -0.654 31.469 32.500 -0.629 0.000 0.715 171 K HN 0.175 nan 8.250 nan 0.000 0.439 172 L N 0.810 121.922 121.223 -0.185 0.000 2.083 172 L HA -0.124 4.245 4.340 0.049 0.000 0.209 172 L C 2.267 179.210 176.870 0.123 0.000 1.083 172 L CA 2.046 56.888 54.840 0.003 0.000 0.752 172 L CB -1.248 40.864 42.059 0.089 0.000 0.899 172 L HN 0.474 nan 8.230 nan 0.000 0.433 173 H N -0.139 118.950 119.070 0.031 0.000 2.353 173 H HA -0.144 4.441 4.556 0.048 0.000 0.300 173 H C 2.085 177.419 175.328 0.011 0.000 1.090 173 H CA 2.034 58.104 56.048 0.036 0.000 1.327 173 H CB 0.176 29.950 29.762 0.021 0.000 1.383 173 H HN 0.413 nan 8.280 nan 0.000 0.508 174 E N -0.339 119.839 120.200 -0.036 0.000 2.209 174 E HA -0.164 4.215 4.350 0.049 0.000 0.196 174 E C 1.421 177.963 176.600 -0.097 0.000 0.993 174 E CA 1.112 57.464 56.400 -0.081 0.000 0.819 174 E CB 0.094 29.769 29.700 -0.042 0.000 0.745 174 E HN 0.466 nan 8.360 nan 0.000 0.477 175 E N -0.909 119.264 120.200 -0.045 0.000 2.489 175 E HA 0.064 4.443 4.350 0.049 0.000 0.193 175 E C 0.716 177.326 176.600 0.015 0.000 1.057 175 E CA 0.490 56.916 56.400 0.042 0.000 0.866 175 E CB 0.537 30.336 29.700 0.166 0.000 0.916 175 E HN 0.326 nan 8.360 nan 0.000 0.500 176 G N -0.147 108.578 108.800 -0.125 0.000 2.141 176 G HA2 -0.271 3.719 3.960 0.049 0.000 0.242 176 G HA3 -0.271 3.719 3.960 0.049 0.000 0.242 176 G C -0.128 174.560 174.900 -0.353 0.000 0.982 176 G CA -0.064 44.871 45.100 -0.274 0.000 0.662 176 G HN 0.196 nan 8.290 nan 0.000 0.527 177 F N 1.178 121.104 119.950 -0.040 0.000 2.449 177 F HA 0.586 5.147 4.527 0.057 0.000 0.342 177 F C 0.315 176.136 175.800 0.034 0.000 1.127 177 F CA -1.113 56.896 58.000 0.015 0.000 0.975 177 F CB 1.519 40.569 39.000 0.084 0.000 1.146 177 F HN -0.132 nan 8.300 nan 0.000 0.444 178 E N 1.863 122.182 120.200 0.198 0.000 2.343 178 E HA 0.570 4.949 4.350 0.049 0.000 0.269 178 E C -0.330 176.351 176.600 0.136 0.000 1.047 178 E CA -0.264 56.241 56.400 0.175 0.000 0.874 178 E CB 1.641 31.417 29.700 0.126 0.000 1.033 178 E HN 0.631 nan 8.360 nan 0.000 0.409 179 S N 1.063 116.831 115.700 0.112 0.000 2.636 179 S HA 0.709 5.208 4.470 0.049 0.000 0.268 179 S C -0.778 173.858 174.600 0.059 0.000 1.159 179 S CA -0.955 57.282 58.200 0.062 0.000 0.815 179 S CB 2.664 65.895 63.200 0.053 0.000 1.130 179 S HN 0.306 nan 8.310 nan 0.000 0.471 180 E N -0.056 120.158 120.200 0.024 0.000 2.409 180 E HA 0.330 4.709 4.350 0.049 0.000 0.280 180 E C -1.372 175.200 176.600 -0.048 0.000 1.079 180 E CA -0.733 55.668 56.400 0.001 0.000 0.840 180 E CB 2.256 31.978 29.700 0.037 0.000 1.309 180 E HN 0.737 nan 8.360 nan 0.000 0.447 181 R N 1.206 121.626 120.500 -0.133 0.000 2.585 181 R HA -0.003 4.366 4.340 0.049 0.000 0.275 181 R C 1.562 177.792 176.300 -0.116 0.000 1.018 181 R CA 0.310 56.309 56.100 -0.169 0.000 1.072 181 R CB 0.052 30.175 30.300 -0.295 0.000 0.953 181 R HN 0.531 nan 8.270 nan 0.000 0.419 182 F N 3.060 122.981 119.950 -0.048 0.000 2.111 182 F HA -0.321 4.239 4.527 0.055 0.000 0.300 182 F C 1.538 177.415 175.800 0.127 0.000 1.088 182 F CA 1.758 59.798 58.000 0.066 0.000 1.243 182 F CB -0.373 38.684 39.000 0.095 0.000 0.996 182 F HN 0.609 nan 8.300 nan 0.000 0.483 183 D N 0.402 120.229 120.400 -0.955 0.000 2.317 183 D HA -0.119 4.550 4.640 0.049 0.000 0.211 183 D C 1.668 177.853 176.300 -0.191 0.000 0.966 183 D CA 0.661 54.339 54.000 -0.536 0.000 0.876 183 D CB -0.631 39.742 40.800 -0.712 0.000 0.927 183 D HN 0.488 nan 8.370 nan 0.000 0.519 184 R N 0.323 120.734 120.500 -0.149 0.000 2.312 184 R HA 0.208 4.577 4.340 0.049 0.000 0.205 184 R C 0.396 176.710 176.300 0.023 0.000 0.904 184 R CA -0.229 55.848 56.100 -0.038 0.000 1.052 184 R CB 0.840 31.129 30.300 -0.018 0.000 1.014 184 R HN 0.013 nan 8.270 nan 0.000 0.503 185 V N 1.399 121.343 119.914 0.050 0.000 2.788 185 V HA -0.113 4.036 4.120 0.049 0.000 0.307 185 V C 1.274 177.434 176.094 0.111 0.000 1.069 185 V CA 1.080 63.441 62.300 0.101 0.000 1.173 185 V CB 1.474 33.403 31.823 0.176 0.000 0.925 185 V HN 0.290 nan 8.190 nan 0.000 0.492 186 T N 2.090 116.704 114.554 0.101 0.000 3.045 186 T HA 0.059 4.438 4.350 0.049 0.000 0.239 186 T C 0.370 175.136 174.700 0.110 0.000 1.008 186 T CA 0.445 62.599 62.100 0.091 0.000 1.143 186 T CB 0.069 68.977 68.868 0.066 0.000 0.894 186 T HN 0.756 nan 8.240 nan 0.000 0.451 187 D N 0.438 120.905 120.400 0.111 0.000 2.438 187 D HA 0.308 4.977 4.640 0.049 0.000 0.257 187 D C 0.367 176.758 176.300 0.153 0.000 1.148 187 D CA -0.665 53.407 54.000 0.120 0.000 0.902 187 D CB 0.093 40.940 40.800 0.077 0.000 1.062 187 D HN -0.022 nan 8.370 nan 0.000 0.518 188 F N 3.572 123.548 119.950 0.043 0.000 2.184 188 F HA -0.205 4.348 4.527 0.045 0.000 0.301 188 F C 1.977 177.797 175.800 0.033 0.000 1.076 188 F CA 1.905 59.930 58.000 0.042 0.000 1.295 188 F CB 0.100 39.129 39.000 0.048 0.000 1.026 188 F HN 0.475 nan 8.300 nan 0.000 0.494 189 A N -0.977 121.916 122.820 0.122 0.000 1.969 189 A HA -0.123 4.226 4.320 0.049 0.000 0.218 189 A C 2.178 179.786 177.584 0.039 0.000 1.169 189 A CA 1.864 53.927 52.037 0.044 0.000 0.635 189 A CB -0.914 18.104 19.000 0.031 0.000 0.810 189 A HN 0.455 nan 8.150 nan 0.000 0.445 190 S N -2.059 113.655 115.700 0.022 0.000 2.540 190 S HA 0.260 4.759 4.470 0.049 0.000 0.222 190 S C 0.501 175.101 174.600 0.001 0.000 1.008 190 S CA -0.447 57.764 58.200 0.019 0.000 0.939 190 S CB 0.088 63.306 63.200 0.030 0.000 0.865 190 S HN 0.548 nan 8.310 nan 0.000 0.499 191 Q N 1.534 121.316 119.800 -0.030 0.000 2.282 191 Q HA 0.560 4.929 4.340 0.049 0.000 0.260 191 Q C -1.137 174.776 176.000 -0.145 0.000 0.964 191 Q CA -0.727 55.058 55.803 -0.030 0.000 0.880 191 Q CB 2.387 31.133 28.738 0.013 0.000 1.286 191 Q HN 0.157 nan 8.270 nan 0.000 0.445 192 V N 2.185 122.011 119.914 -0.148 0.000 2.555 192 V HA 0.080 4.229 4.120 0.049 0.000 0.286 192 V C 0.068 176.052 176.094 -0.182 0.000 1.044 192 V CA -0.011 62.103 62.300 -0.310 0.000 1.026 192 V CB 1.297 32.912 31.823 -0.347 0.000 0.981 192 V HN 0.731 nan 8.190 nan 0.000 0.480 193 S N 5.605 121.185 115.700 -0.200 0.000 2.499 193 S HA 0.599 5.098 4.470 0.049 0.000 0.279 193 S C -0.240 174.353 174.600 -0.011 0.000 1.219 193 S CA -0.344 57.843 58.200 -0.022 0.000 1.062 193 S CB 0.650 63.910 63.200 0.099 0.000 0.978 193 S HN 0.501 nan 8.310 nan 0.000 0.489 194 I N 3.726 124.314 120.570 0.030 0.000 2.339 194 I HA 0.398 4.597 4.170 0.049 0.000 0.290 194 I C -1.001 175.133 176.117 0.029 0.000 0.994 194 I CA -0.579 60.717 61.300 -0.007 0.000 1.191 194 I CB 1.147 39.117 38.000 -0.050 0.000 1.343 194 I HN 0.438 nan 8.210 nan 0.000 0.458 195 I N 8.550 129.090 120.570 -0.050 0.000 2.382 195 I HA 0.359 4.558 4.170 0.049 0.000 0.285 195 I C -2.457 173.516 176.117 -0.240 0.000 1.007 195 I CA -1.917 59.300 61.300 -0.138 0.000 1.142 195 I CB 1.285 39.141 38.000 -0.241 0.000 1.289 195 I HN 0.261 nan 8.210 nan 0.000 0.453 196 P HA 0.398 nan 4.420 nan 0.000 0.276 196 P C -0.694 176.481 177.300 -0.208 0.000 1.243 196 P CA -0.125 62.736 63.100 -0.398 0.000 0.768 196 P CB 0.526 31.802 31.700 -0.707 0.000 0.856 197 I N -1.184 119.302 120.570 -0.141 0.000 3.352 197 I HA 0.772 4.971 4.170 0.049 0.000 0.316 197 I C -1.087 174.950 176.117 -0.132 0.000 1.214 197 I CA -1.142 60.107 61.300 -0.085 0.000 0.934 197 I CB 2.446 40.384 38.000 -0.104 0.000 1.310 197 I HN 0.127 nan 8.210 nan 0.000 0.475 198 S N 0.958 116.583 115.700 -0.125 0.000 2.779 198 S HA 0.707 5.206 4.470 0.049 0.000 0.293 198 S C 0.425 174.913 174.600 -0.188 0.000 1.150 198 S CA 0.034 58.142 58.200 -0.154 0.000 1.057 198 S CB 1.508 64.628 63.200 -0.134 0.000 1.021 198 S HN 0.980 nan 8.310 nan 0.000 0.485 199 A N 5.252 127.972 122.820 -0.166 0.000 2.015 199 A HA 0.123 4.472 4.320 0.049 0.000 0.219 199 A C 1.728 179.209 177.584 -0.172 0.000 1.163 199 A CA 0.935 52.863 52.037 -0.181 0.000 0.646 199 A CB -0.466 18.474 19.000 -0.101 0.000 0.806 199 A HN 0.851 nan 8.150 nan 0.000 0.448 200 I N -0.991 119.520 120.570 -0.099 0.000 2.277 200 I HA -0.085 4.115 4.170 0.049 0.000 0.243 200 I C 1.376 177.493 176.117 0.000 0.000 1.094 200 I CA 0.790 62.082 61.300 -0.012 0.000 1.393 200 I CB -0.270 37.725 38.000 -0.007 0.000 1.078 200 I HN 0.204 nan 8.210 nan 0.000 0.417 201 T N -0.666 113.850 114.554 -0.062 0.000 2.793 201 T HA 0.260 4.640 4.350 0.049 0.000 0.299 201 T C 0.843 175.411 174.700 -0.220 0.000 1.038 201 T CA 0.032 62.121 62.100 -0.017 0.000 0.948 201 T CB 1.072 69.954 68.868 0.023 0.000 1.231 201 T HN 0.359 nan 8.240 nan 0.000 0.538 202 G N -0.389 108.342 108.800 -0.115 0.000 3.519 202 G HA2 0.215 4.205 3.960 0.049 0.000 0.269 202 G HA3 0.215 4.205 3.960 0.049 0.000 0.269 202 G C -0.009 174.848 174.900 -0.071 0.000 1.028 202 G CA -0.250 44.675 45.100 -0.292 0.000 0.809 202 G HN 0.616 nan 8.290 nan 0.000 0.521 203 E N 0.228 120.439 120.200 0.017 0.000 2.529 203 E HA 0.324 4.704 4.350 0.049 0.000 0.259 203 E C 1.452 178.125 176.600 0.121 0.000 0.966 203 E CA 0.867 57.350 56.400 0.138 0.000 0.937 203 E CB 0.515 30.360 29.700 0.243 0.000 0.923 203 E HN 0.286 nan 8.360 nan 0.000 0.468 204 G N 3.286 112.206 108.800 0.201 0.000 2.245 204 G HA2 -0.352 3.637 3.960 0.049 0.000 0.264 204 G HA3 -0.352 3.637 3.960 0.049 0.000 0.264 204 G C 0.904 175.821 174.900 0.028 0.000 0.985 204 G CA 0.449 45.653 45.100 0.174 0.000 0.625 204 G HN 0.619 nan 8.290 nan 0.000 0.536 205 I N 1.435 122.006 120.570 0.002 0.000 2.361 205 I HA -0.115 4.084 4.170 0.049 0.000 0.251 205 I C 0.261 176.379 176.117 0.001 0.000 1.133 205 I CA 1.615 62.897 61.300 -0.030 0.000 1.413 205 I CB -0.858 37.111 38.000 -0.050 0.000 1.073 205 I HN 0.211 nan 8.210 nan 0.000 0.424 206 P HA -0.162 nan 4.420 nan 0.000 0.215 206 P C 1.273 178.585 177.300 0.020 0.000 1.157 206 P CA 1.394 64.532 63.100 0.062 0.000 0.868 206 P CB 0.068 31.836 31.700 0.114 0.000 0.788 207 E N -1.022 119.158 120.200 -0.035 0.000 2.150 207 E HA -0.120 4.260 4.350 0.049 0.000 0.193 207 E C 1.804 178.235 176.600 -0.281 0.000 0.985 207 E CA 0.473 56.737 56.400 -0.227 0.000 0.814 207 E CB -1.016 28.282 29.700 -0.669 0.000 0.752 207 E HN 0.084 nan 8.360 nan 0.000 0.466 208 L N 0.389 121.500 121.223 -0.187 0.000 2.012 208 L HA -0.161 4.208 4.340 0.049 0.000 0.210 208 L C 1.815 178.658 176.870 -0.045 0.000 1.073 208 L CA 1.712 56.480 54.840 -0.120 0.000 0.748 208 L CB -0.350 41.663 42.059 -0.078 0.000 0.891 208 L HN 0.157 nan 8.230 nan 0.000 0.431 209 L N -1.389 119.828 121.223 -0.010 0.000 2.093 209 L HA -0.173 4.196 4.340 0.049 0.000 0.208 209 L C 2.333 179.196 176.870 -0.013 0.000 1.085 209 L CA 1.519 56.385 54.840 0.044 0.000 0.755 209 L CB -1.090 41.012 42.059 0.071 0.000 0.904 209 L HN 0.278 nan 8.230 nan 0.000 0.435 210 T N -0.312 114.193 114.554 -0.082 0.000 2.708 210 T HA -0.162 4.217 4.350 0.049 0.000 0.266 210 T C 1.995 176.610 174.700 -0.142 0.000 1.037 210 T CA 1.241 63.240 62.100 -0.168 0.000 1.146 210 T CB -0.094 68.480 68.868 -0.490 0.000 0.865 210 T HN 0.133 nan 8.240 nan 0.000 0.435 211 M N 0.715 120.249 119.600 -0.109 0.000 2.159 211 M HA 0.079 4.588 4.480 0.049 0.000 0.263 211 M C 2.294 178.630 176.300 0.060 0.000 1.063 211 M CA 1.192 56.518 55.300 0.043 0.000 1.110 211 M CB -1.338 31.315 32.600 0.089 0.000 1.374 211 M HN 0.259 nan 8.290 nan 0.000 0.411 212 L N -0.905 120.320 121.223 0.003 0.000 2.046 212 L HA -0.215 4.154 4.340 0.049 0.000 0.208 212 L C 2.585 179.409 176.870 -0.078 0.000 1.077 212 L CA 0.936 55.773 54.840 -0.005 0.000 0.747 212 L CB -0.554 41.517 42.059 0.020 0.000 0.896 212 L HN 0.244 nan 8.230 nan 0.000 0.432 213 M N 0.103 119.622 119.600 -0.135 0.000 2.213 213 M HA -0.076 4.433 4.480 0.049 0.000 0.263 213 M C 2.017 177.925 176.300 -0.654 0.000 1.062 213 M CA 1.706 56.854 55.300 -0.253 0.000 1.105 213 M CB -0.796 31.735 32.600 -0.115 0.000 1.385 213 M HN 0.161 nan 8.290 nan 0.000 0.417 214 G N -0.192 108.119 108.800 -0.815 0.000 2.421 214 G HA2 -0.184 3.805 3.960 0.049 0.000 0.216 214 G HA3 -0.184 3.805 3.960 0.049 0.000 0.216 214 G C 1.503 176.244 174.900 -0.266 0.000 1.171 214 G CA 0.972 45.376 45.100 -1.160 0.000 0.775 214 G HN 0.478 nan 8.290 nan 0.000 0.543 215 L N 0.660 121.979 121.223 0.160 0.000 2.079 215 L HA -0.101 4.268 4.340 0.049 0.000 0.210 215 L C 3.422 180.372 176.870 0.134 0.000 1.081 215 L CA 1.024 56.030 54.840 0.277 0.000 0.752 215 L CB -0.428 41.730 42.059 0.165 0.000 0.896 215 L HN 0.331 nan 8.230 nan 0.000 0.433 216 A N -0.424 122.378 122.820 -0.030 0.000 1.877 216 A HA -0.287 4.062 4.320 0.049 0.000 0.216 216 A C 2.197 179.740 177.584 -0.070 0.000 1.186 216 A CA 1.791 53.806 52.037 -0.036 0.000 0.620 216 A CB -0.553 18.402 19.000 -0.075 0.000 0.822 216 A HN 0.377 nan 8.150 nan 0.000 0.443 217 Q N -0.620 119.060 119.800 -0.200 0.000 2.112 217 Q HA -0.269 4.100 4.340 0.049 0.000 0.206 217 Q C 2.135 178.061 176.000 -0.124 0.000 0.987 217 Q CA 2.509 58.204 55.803 -0.180 0.000 0.858 217 Q CB -0.317 28.216 28.738 -0.341 0.000 0.905 217 Q HN 0.718 nan 8.270 nan 0.000 0.420 218 Q N -1.797 117.915 119.800 -0.146 0.000 2.137 218 Q HA -0.060 4.309 4.340 0.049 0.000 0.198 218 Q C 0.808 176.563 176.000 -0.408 0.000 0.960 218 Q CA 1.533 57.162 55.803 -0.290 0.000 0.847 218 Q CB 0.043 28.552 28.738 -0.382 0.000 0.915 218 Q HN 0.622 nan 8.270 nan 0.000 0.448 219 Y N -1.383 118.917 120.300 -0.001 0.000 2.467 219 Y HA 0.338 4.920 4.550 0.053 0.000 0.259 219 Y C -0.122 175.769 175.900 -0.015 0.000 1.084 219 Y CA -0.485 57.611 58.100 -0.006 0.000 1.275 219 Y CB 0.900 39.353 38.460 -0.011 0.000 1.208 219 Y HN -0.128 nan 8.280 nan 0.000 0.511 220 L N 1.626 122.925 121.223 0.126 0.000 2.264 220 L HA 0.453 4.822 4.340 0.049 0.000 0.289 220 L C 0.228 177.115 176.870 0.029 0.000 1.044 220 L CA -0.365 54.512 54.840 0.062 0.000 0.807 220 L CB 1.013 43.092 42.059 0.034 0.000 1.192 220 L HN 0.126 nan 8.230 nan 0.000 0.425 221 R N 0.866 121.381 120.500 0.026 0.000 2.875 221 R HA 0.008 4.377 4.340 0.049 0.000 0.110 221 R C 1.580 177.886 176.300 0.011 0.000 1.387 221 R CA 0.358 56.467 56.100 0.015 0.000 1.147 221 R CB -0.608 29.701 30.300 0.015 0.000 1.019 221 R HN 0.452 nan 8.270 nan 0.000 0.411 222 E N 1.736 121.943 120.200 0.012 0.000 2.171 222 E HA -0.226 4.154 4.350 0.049 0.000 0.197 222 E C 1.472 178.075 176.600 0.006 0.000 0.997 222 E CA 2.040 58.445 56.400 0.008 0.000 0.810 222 E CB -0.257 29.448 29.700 0.009 0.000 0.738 222 E HN 0.452 nan 8.360 nan 0.000 0.467 223 Q N -0.261 119.541 119.800 0.004 0.000 2.437 223 Q HA 0.150 4.519 4.340 0.049 0.000 0.210 223 Q C 2.191 178.187 176.000 -0.008 0.000 0.972 223 Q CA 1.201 57.001 55.803 -0.005 0.000 0.903 223 Q CB -0.179 28.552 28.738 -0.013 0.000 0.967 223 Q HN 0.464 nan 8.270 nan 0.000 0.486 224 L N 0.006 121.226 121.223 -0.005 0.000 2.567 224 L HA 0.107 4.476 4.340 0.049 0.000 0.225 224 L C 0.934 177.801 176.870 -0.005 0.000 1.119 224 L CA -0.107 54.728 54.840 -0.009 0.000 0.871 224 L CB -0.075 41.978 42.059 -0.010 0.000 1.036 224 L HN 0.047 nan 8.230 nan 0.000 0.459 225 K N 2.928 123.329 120.400 0.001 0.000 2.379 225 K HA 0.274 4.623 4.320 0.049 0.000 0.284 225 K C -0.517 176.086 176.600 0.006 0.000 1.044 225 K CA 0.007 56.295 56.287 0.003 0.000 0.974 225 K CB 0.673 33.176 32.500 0.005 0.000 0.962 225 K HN 0.189 nan 8.250 nan 0.000 0.474 226 I N -0.217 120.352 120.570 -0.000 0.000 3.042 226 I HA 0.433 4.633 4.170 0.049 0.000 0.310 226 I C -0.777 175.335 176.117 -0.008 0.000 1.117 226 I CA -0.914 60.385 61.300 -0.002 0.000 1.003 226 I CB 2.261 40.252 38.000 -0.015 0.000 1.228 226 I HN 0.397 nan 8.210 nan 0.000 0.443 227 E N 2.759 122.952 120.200 -0.012 0.000 2.121 227 E HA 0.099 4.478 4.350 0.049 0.000 0.255 227 E C 0.261 176.847 176.600 -0.024 0.000 0.906 227 E CA -0.217 56.174 56.400 -0.014 0.000 0.745 227 E CB 1.263 30.957 29.700 -0.011 0.000 1.155 227 E HN 0.764 nan 8.360 nan 0.000 0.424 228 E N 1.953 122.140 120.200 -0.022 0.000 2.273 228 E HA -0.262 4.117 4.350 0.049 0.000 0.198 228 E C 0.116 176.701 176.600 -0.026 0.000 1.002 228 E CA 1.508 57.893 56.400 -0.026 0.000 0.828 228 E CB 0.077 29.766 29.700 -0.018 0.000 0.747 228 E HN 0.349 nan 8.360 nan 0.000 0.491 229 D N 0.771 121.158 120.400 -0.022 0.000 2.367 229 D HA 0.008 4.677 4.640 0.049 0.000 0.207 229 D C 0.240 176.525 176.300 -0.025 0.000 1.034 229 D CA 0.516 54.503 54.000 -0.021 0.000 0.861 229 D CB 0.512 41.303 40.800 -0.015 0.000 0.943 229 D HN 0.221 nan 8.370 nan 0.000 0.515 230 S N 0.587 116.270 115.700 -0.029 0.000 2.584 230 S HA 0.291 4.790 4.470 0.049 0.000 0.270 230 S C -2.531 172.043 174.600 -0.044 0.000 1.346 230 S CA -1.319 56.862 58.200 -0.032 0.000 1.018 230 S CB 0.773 63.954 63.200 -0.031 0.000 0.899 230 S HN -0.184 nan 8.310 nan 0.000 0.542 231 P HA 0.284 nan 4.420 nan 0.000 0.271 231 P C -0.482 176.771 177.300 -0.079 0.000 1.216 231 P CA -0.014 63.054 63.100 -0.052 0.000 0.771 231 P CB 0.251 31.926 31.700 -0.042 0.000 0.864 232 A N 4.982 127.746 122.820 -0.094 0.000 2.531 232 A HA 0.167 4.516 4.320 0.049 0.000 0.236 232 A C 0.287 177.756 177.584 -0.193 0.000 1.062 232 A CA 0.281 52.231 52.037 -0.145 0.000 0.760 232 A CB -0.073 18.849 19.000 -0.129 0.000 0.995 232 A HN 0.464 nan 8.150 nan 0.000 0.501 233 R N 1.179 121.477 120.500 -0.337 0.000 2.621 233 R HA 0.652 5.021 4.340 0.049 0.000 0.292 233 R C 0.097 175.896 176.300 -0.835 0.000 0.969 233 R CA -0.051 55.768 56.100 -0.468 0.000 0.887 233 R CB 2.384 32.407 30.300 -0.461 0.000 1.180 233 R HN 0.992 nan 8.270 nan 0.000 0.450 234 G N 0.313 108.815 108.800 -0.497 0.000 2.706 234 G HA2 0.473 4.462 3.960 0.049 0.000 0.307 234 G HA3 0.473 4.462 3.960 0.049 0.000 0.307 234 G C -1.350 173.594 174.900 0.074 0.000 1.307 234 G CA -0.279 44.645 45.100 -0.294 0.000 0.790 234 G HN 0.329 nan 8.290 nan 0.000 0.503 235 T N 0.481 115.113 114.554 0.129 0.000 2.886 235 T HA 0.507 4.886 4.350 0.049 0.000 0.292 235 T C -0.363 174.377 174.700 0.066 0.000 1.012 235 T CA -0.204 61.967 62.100 0.118 0.000 0.982 235 T CB 1.523 70.476 68.868 0.142 0.000 1.018 235 T HN 0.419 nan 8.240 nan 0.000 0.451 236 I N 3.712 124.309 120.570 0.045 0.000 2.396 236 I HA 0.107 4.307 4.170 0.049 0.000 0.289 236 I C 0.475 176.612 176.117 0.033 0.000 1.056 236 I CA -0.310 61.009 61.300 0.031 0.000 1.365 236 I CB 1.110 39.121 38.000 0.019 0.000 1.407 236 I HN 0.496 nan 8.210 nan 0.000 0.509 237 L N 5.745 126.989 121.223 0.034 0.000 2.253 237 L HA 0.258 4.627 4.340 0.049 0.000 0.205 237 L C 0.455 177.338 176.870 0.022 0.000 1.078 237 L CA 1.253 56.112 54.840 0.032 0.000 0.805 237 L CB -0.239 41.846 42.059 0.043 0.000 0.963 237 L HN 0.550 nan 8.230 nan 0.000 0.459 238 E N -1.711 118.500 120.200 0.019 0.000 2.372 238 E HA 0.477 4.856 4.350 0.049 0.000 0.279 238 E C -1.613 174.990 176.600 0.006 0.000 0.946 238 E CA -0.439 55.969 56.400 0.012 0.000 0.769 238 E CB 3.027 32.736 29.700 0.015 0.000 1.230 238 E HN -0.358 nan 8.360 nan 0.000 0.442 239 V N 2.897 122.812 119.914 0.002 0.000 2.409 239 V HA 0.452 4.601 4.120 0.049 0.000 0.290 239 V C -0.498 175.593 176.094 -0.004 0.000 1.017 239 V CA -0.563 61.734 62.300 -0.004 0.000 0.841 239 V CB 1.113 32.933 31.823 -0.004 0.000 1.003 239 V HN 0.648 nan 8.190 nan 0.000 0.426 240 K N 2.454 122.851 120.400 -0.006 0.000 2.556 240 K HA 0.669 5.018 4.320 0.049 0.000 0.274 240 K C -0.925 175.674 176.600 -0.002 0.000 0.966 240 K CA -0.954 55.333 56.287 -0.001 0.000 0.865 240 K CB 2.620 35.124 32.500 0.007 0.000 1.444 240 K HN 0.464 nan 8.250 nan 0.000 0.433 241 E N 0.944 121.146 120.200 0.003 0.000 2.366 241 E HA 0.093 4.472 4.350 0.049 0.000 0.266 241 E C -1.117 175.497 176.600 0.023 0.000 1.051 241 E CA -0.155 56.249 56.400 0.007 0.000 0.884 241 E CB 0.975 30.678 29.700 0.006 0.000 1.006 241 E HN 0.471 nan 8.360 nan 0.000 0.417 242 E N 1.849 122.066 120.200 0.029 0.000 2.256 242 E HA 0.250 4.629 4.350 0.049 0.000 0.268 242 E C -1.396 175.243 176.600 0.065 0.000 0.877 242 E CA -0.601 55.842 56.400 0.070 0.000 0.757 242 E CB 1.840 31.590 29.700 0.083 0.000 1.183 242 E HN 0.489 nan 8.360 nan 0.000 0.418 243 T N 2.366 116.963 114.554 0.071 0.000 2.891 243 T HA 0.323 4.702 4.350 0.049 0.000 0.296 243 T C 1.251 175.986 174.700 0.059 0.000 1.025 243 T CA 1.336 63.468 62.100 0.052 0.000 1.149 243 T CB 0.272 69.167 68.868 0.045 0.000 1.007 243 T HN 0.789 nan 8.240 nan 0.000 0.528 244 G N 2.290 111.113 108.800 0.038 0.000 2.304 244 G HA2 -0.230 3.759 3.960 0.049 0.000 0.252 244 G HA3 -0.230 3.759 3.960 0.049 0.000 0.252 244 G C 0.082 175.000 174.900 0.029 0.000 1.014 244 G CA 0.217 45.338 45.100 0.036 0.000 0.619 244 G HN 0.661 nan 8.290 nan 0.000 0.525 245 L N -0.331 120.909 121.223 0.029 0.000 2.298 245 L HA 0.789 5.158 4.340 0.049 0.000 0.268 245 L C 1.531 178.402 176.870 0.002 0.000 1.010 245 L CA -0.678 54.167 54.840 0.008 0.000 0.812 245 L CB 1.382 43.436 42.059 -0.009 0.000 1.331 245 L HN 0.225 nan 8.230 nan 0.000 0.450 246 G N -0.544 108.250 108.800 -0.010 0.000 3.329 246 G HA2 0.269 4.258 3.960 0.049 0.000 0.180 246 G HA3 0.269 4.258 3.960 0.049 0.000 0.180 246 G C -0.021 174.872 174.900 -0.012 0.000 1.640 246 G CA -0.554 44.541 45.100 -0.008 0.000 1.018 246 G HN 0.256 nan 8.290 nan 0.000 0.581 247 M N 0.813 120.404 119.600 -0.015 0.000 2.243 247 M HA 0.369 4.878 4.480 0.049 0.000 0.341 247 M C -0.259 176.023 176.300 -0.029 0.000 1.130 247 M CA 0.478 55.768 55.300 -0.017 0.000 1.162 247 M CB 0.836 33.428 32.600 -0.014 0.000 1.497 247 M HN 0.298 nan 8.290 nan 0.000 0.456 248 T N 3.533 118.066 114.554 -0.035 0.000 2.896 248 T HA 0.682 5.061 4.350 0.049 0.000 0.297 248 T C -0.712 173.961 174.700 -0.044 0.000 1.108 248 T CA -0.521 61.545 62.100 -0.057 0.000 1.004 248 T CB 1.767 70.583 68.868 -0.086 0.000 1.159 248 T HN 0.507 nan 8.240 nan 0.000 0.499 249 I N 2.356 122.896 120.570 -0.050 0.000 2.406 249 I HA 0.352 4.552 4.170 0.049 0.000 0.290 249 I C -0.801 175.297 176.117 -0.030 0.000 0.999 249 I CA -0.725 60.557 61.300 -0.031 0.000 1.124 249 I CB 1.595 39.580 38.000 -0.025 0.000 1.289 249 I HN 0.461 nan 8.210 nan 0.000 0.441 250 D N 6.084 126.479 120.400 -0.010 0.000 2.233 250 D HA 0.702 5.372 4.640 0.049 0.000 0.240 250 D C -0.522 175.793 176.300 0.025 0.000 1.074 250 D CA 0.053 54.058 54.000 0.008 0.000 0.838 250 D CB 2.011 42.826 40.800 0.024 0.000 1.124 250 D HN 0.590 nan 8.370 nan 0.000 0.475 251 A N 1.672 124.515 122.820 0.037 0.000 2.556 251 A HA 0.702 5.052 4.320 0.049 0.000 0.294 251 A C -1.231 176.399 177.584 0.077 0.000 1.091 251 A CA -0.646 51.419 52.037 0.047 0.000 0.704 251 A CB 1.498 20.510 19.000 0.020 0.000 1.300 251 A HN 0.298 nan 8.150 nan 0.000 0.406 252 V N 2.372 122.338 119.914 0.086 0.000 2.459 252 V HA 0.421 4.570 4.120 0.049 0.000 0.295 252 V C -0.689 175.427 176.094 0.037 0.000 1.029 252 V CA -0.506 61.858 62.300 0.108 0.000 0.874 252 V CB 1.469 33.393 31.823 0.169 0.000 0.985 252 V HN 0.658 nan 8.190 nan 0.000 0.438 253 I N 5.812 126.354 120.570 -0.047 0.000 2.339 253 I HA 0.270 4.469 4.170 0.049 0.000 0.290 253 I C 0.365 176.374 176.117 -0.181 0.000 0.994 253 I CA -0.240 60.960 61.300 -0.167 0.000 1.191 253 I CB 1.186 39.093 38.000 -0.154 0.000 1.343 253 I HN 0.871 nan 8.210 nan 0.000 0.458 254 Y N 2.202 122.431 120.300 -0.117 0.000 2.449 254 Y HA 0.491 5.069 4.550 0.046 0.000 0.254 254 Y C 0.122 175.953 175.900 -0.113 0.000 1.140 254 Y CA -0.653 57.363 58.100 -0.140 0.000 1.272 254 Y CB 0.399 38.798 38.460 -0.100 0.000 1.114 254 Y HN 0.440 nan 8.280 nan 0.000 0.525 255 D N -0.372 119.870 120.400 -0.263 0.000 2.654 255 D HA 0.435 5.104 4.640 0.049 0.000 0.231 255 D C 0.204 176.400 176.300 -0.174 0.000 1.239 255 D CA 0.625 54.544 54.000 -0.136 0.000 0.790 255 D CB 2.138 42.907 40.800 -0.052 0.000 1.480 255 D HN 0.486 nan 8.370 nan 0.000 0.442 256 G N 1.000 109.738 108.800 -0.103 0.000 2.642 256 G HA2 -0.154 3.835 3.960 0.049 0.000 0.231 256 G HA3 -0.154 3.835 3.960 0.049 0.000 0.231 256 G C -0.701 174.148 174.900 -0.085 0.000 1.338 256 G CA -0.090 44.956 45.100 -0.091 0.000 0.883 256 G HN 0.850 nan 8.290 nan 0.000 0.570 257 I N -0.780 119.748 120.570 -0.070 0.000 2.647 257 I HA 0.742 4.941 4.170 0.049 0.000 0.295 257 I C -1.017 175.067 176.117 -0.055 0.000 1.078 257 I CA -1.318 59.949 61.300 -0.055 0.000 1.048 257 I CB 1.652 39.630 38.000 -0.037 0.000 1.239 257 I HN 0.853 nan 8.210 nan 0.000 0.421 258 L N 7.635 128.830 121.223 -0.047 0.000 2.325 258 L HA 0.602 4.971 4.340 0.049 0.000 0.281 258 L C -0.972 175.881 176.870 -0.028 0.000 1.004 258 L CA -0.083 54.732 54.840 -0.043 0.000 0.823 258 L CB 1.332 43.363 42.059 -0.046 0.000 1.236 258 L HN 0.607 nan 8.230 nan 0.000 0.415 259 R N 1.920 122.404 120.500 -0.026 0.000 2.732 259 R HA 0.299 4.668 4.340 0.049 0.000 0.278 259 R C 0.910 177.199 176.300 -0.019 0.000 0.976 259 R CA -0.393 55.696 56.100 -0.020 0.000 0.963 259 R CB 1.923 32.213 30.300 -0.018 0.000 1.150 259 R HN 0.555 nan 8.270 nan 0.000 0.478 260 K N 0.811 121.202 120.400 -0.015 0.000 2.211 260 K HA -0.126 4.223 4.320 0.049 0.000 0.204 260 K C 0.192 176.783 176.600 -0.016 0.000 1.047 260 K CA 1.989 58.267 56.287 -0.015 0.000 0.935 260 K CB -0.210 32.283 32.500 -0.012 0.000 0.728 260 K HN 0.585 nan 8.250 nan 0.000 0.452 261 D N 0.458 120.849 120.400 -0.015 0.000 2.395 261 D HA 0.164 4.833 4.640 0.049 0.000 0.213 261 D C -0.355 175.935 176.300 -0.016 0.000 1.110 261 D CA -0.160 53.832 54.000 -0.014 0.000 0.835 261 D CB 0.021 40.814 40.800 -0.012 0.000 0.965 261 D HN 0.394 nan 8.370 nan 0.000 0.505 262 D N 0.847 121.235 120.400 -0.019 0.000 2.368 262 D HA 0.098 4.767 4.640 0.049 0.000 0.240 262 D C 0.242 176.530 176.300 -0.021 0.000 1.169 262 D CA 0.697 54.684 54.000 -0.021 0.000 0.906 262 D CB 1.062 41.846 40.800 -0.026 0.000 1.187 262 D HN -0.179 nan 8.370 nan 0.000 0.435 263 T N 1.370 115.912 114.554 -0.020 0.000 2.824 263 T HA 0.590 4.969 4.350 0.049 0.000 0.280 263 T C 0.122 174.809 174.700 -0.022 0.000 0.995 263 T CA -0.597 61.492 62.100 -0.019 0.000 1.009 263 T CB 0.526 69.384 68.868 -0.016 0.000 0.955 263 T HN 0.240 nan 8.240 nan 0.000 0.452 264 I N 0.046 120.603 120.570 -0.022 0.000 2.689 264 I HA 0.950 5.150 4.170 0.049 0.000 0.299 264 I C -0.556 175.550 176.117 -0.019 0.000 1.059 264 I CA -1.501 59.784 61.300 -0.024 0.000 1.055 264 I CB 2.010 39.994 38.000 -0.028 0.000 1.243 264 I HN 0.618 nan 8.210 nan 0.000 0.425 265 A N 6.248 129.057 122.820 -0.018 0.000 2.340 265 A HA 0.988 5.337 4.320 0.049 0.000 0.331 265 A C -0.522 177.057 177.584 -0.009 0.000 1.140 265 A CA -0.633 51.397 52.037 -0.012 0.000 0.801 265 A CB 1.519 20.513 19.000 -0.010 0.000 1.234 265 A HN 0.880 nan 8.150 nan 0.000 0.469 266 M N 1.313 120.910 119.600 -0.005 0.000 3.008 266 M HA 0.502 5.011 4.480 0.049 0.000 0.271 266 M C -0.485 175.816 176.300 0.001 0.000 1.265 266 M CA -0.391 54.908 55.300 -0.001 0.000 0.817 266 M CB 1.886 34.485 32.600 -0.002 0.000 1.638 266 M HN 0.808 nan 8.290 nan 0.000 0.479 267 M N -0.548 119.055 119.600 0.005 0.000 2.478 267 M HA 0.796 5.305 4.480 0.049 0.000 0.327 267 M C -1.164 175.138 176.300 0.004 0.000 1.187 267 M CA -0.211 55.092 55.300 0.005 0.000 1.022 267 M CB 1.771 34.376 32.600 0.008 0.000 1.629 267 M HN 0.609 nan 8.290 nan 0.000 0.461 268 T N 0.214 114.769 114.554 0.003 0.000 2.841 268 T HA 0.328 4.707 4.350 0.049 0.000 0.276 268 T C 1.112 175.813 174.700 0.003 0.000 1.003 268 T CA -0.085 62.016 62.100 0.001 0.000 0.995 268 T CB 1.612 70.480 68.868 -0.001 0.000 1.260 268 T HN 0.889 nan 8.240 nan 0.000 0.581 269 S N -0.313 115.388 115.700 0.002 0.000 2.481 269 S HA 0.019 4.519 4.470 0.049 0.000 0.231 269 S C 1.323 175.924 174.600 0.002 0.000 0.996 269 S CA 0.789 58.991 58.200 0.003 0.000 0.942 269 S CB -0.224 62.977 63.200 0.001 0.000 0.768 269 S HN 0.574 nan 8.310 nan 0.000 0.520 270 K N -0.083 120.318 120.400 0.001 0.000 2.286 270 K HA 0.325 4.674 4.320 0.049 0.000 0.203 270 K C 0.299 176.899 176.600 0.001 0.000 1.078 270 K CA 0.417 56.704 56.287 0.000 0.000 0.957 270 K CB 0.239 32.738 32.500 -0.001 0.000 1.018 270 K HN 0.260 nan 8.250 nan 0.000 0.484 271 D N -1.024 119.376 120.400 0.000 0.000 2.838 271 D HA 0.210 4.879 4.640 0.049 0.000 0.334 271 D C -1.376 174.925 176.300 0.001 0.000 1.315 271 D CA -0.504 53.497 54.000 0.000 0.000 0.917 271 D CB 2.020 42.820 40.800 -0.000 0.000 1.435 271 D HN -0.302 nan 8.370 nan 0.000 0.517 272 V N 2.023 121.937 119.914 0.000 0.000 2.509 272 V HA 0.473 4.622 4.120 0.049 0.000 0.284 272 V C 0.560 176.653 176.094 -0.002 0.000 1.047 272 V CA -0.230 62.070 62.300 0.000 0.000 0.952 272 V CB 0.908 32.731 31.823 0.000 0.000 0.988 272 V HN 0.397 nan 8.190 nan 0.000 0.469 273 I N 1.912 122.480 120.570 -0.003 0.000 3.322 273 I HA 0.996 5.195 4.170 0.049 0.000 0.313 273 I C -0.316 175.797 176.117 -0.006 0.000 1.129 273 I CA -0.691 60.606 61.300 -0.005 0.000 0.963 273 I CB 2.599 40.595 38.000 -0.005 0.000 1.273 273 I HN 0.621 nan 8.210 nan 0.000 0.473 274 S N 0.360 116.055 115.700 -0.008 0.000 2.564 274 S HA 0.865 5.364 4.470 0.049 0.000 0.274 274 S C -0.849 173.744 174.600 -0.011 0.000 1.124 274 S CA -0.431 57.763 58.200 -0.010 0.000 0.869 274 S CB 1.960 65.154 63.200 -0.010 0.000 1.105 274 S HN 0.890 nan 8.310 nan 0.000 0.472 275 T N 1.186 115.732 114.554 -0.013 0.000 2.868 275 T HA 0.643 5.022 4.350 0.049 0.000 0.306 275 T C -1.118 173.573 174.700 -0.015 0.000 1.224 275 T CA -0.868 61.224 62.100 -0.014 0.000 1.012 275 T CB 1.616 70.475 68.868 -0.015 0.000 1.221 275 T HN 0.760 nan 8.240 nan 0.000 0.499 276 R N 1.324 121.815 120.500 -0.015 0.000 2.265 276 R HA 0.569 4.938 4.340 0.049 0.000 0.319 276 R C -0.618 175.671 176.300 -0.018 0.000 1.006 276 R CA -0.731 55.360 56.100 -0.016 0.000 0.880 276 R CB -0.155 30.137 30.300 -0.013 0.000 1.077 276 R HN 0.634 nan 8.270 nan 0.000 0.454 277 I N 5.692 126.250 120.570 -0.020 0.000 2.588 277 I HA 0.057 4.256 4.170 0.049 0.000 0.283 277 I C 1.291 177.395 176.117 -0.021 0.000 1.119 277 I CA 0.184 61.470 61.300 -0.023 0.000 1.419 277 I CB 1.012 38.997 38.000 -0.025 0.000 1.394 277 I HN 0.672 nan 8.210 nan 0.000 0.562 278 R N 3.173 123.659 120.500 -0.024 0.000 2.105 278 R HA 0.125 4.494 4.340 0.049 0.000 0.214 278 R C 0.042 176.328 176.300 -0.022 0.000 1.091 278 R CA 0.621 56.709 56.100 -0.020 0.000 1.007 278 R CB 0.137 30.424 30.300 -0.021 0.000 0.912 278 R HN 0.801 nan 8.270 nan 0.000 0.450 279 S N -0.353 115.328 115.700 -0.030 0.000 2.587 279 S HA 0.456 4.955 4.470 0.049 0.000 0.269 279 S C -1.073 173.501 174.600 -0.044 0.000 1.154 279 S CA -1.067 57.115 58.200 -0.031 0.000 0.824 279 S CB 1.595 64.779 63.200 -0.027 0.000 1.118 279 S HN 0.016 nan 8.310 nan 0.000 0.462 280 L N 1.429 122.630 121.223 -0.036 0.000 2.313 280 L HA 0.649 5.018 4.340 0.049 0.000 0.283 280 L C -1.141 175.706 176.870 -0.039 0.000 1.013 280 L CA -0.688 54.130 54.840 -0.038 0.000 0.816 280 L CB 1.335 43.383 42.059 -0.019 0.000 1.236 280 L HN 0.547 nan 8.230 nan 0.000 0.419 281 L N 4.218 125.399 121.223 -0.071 0.000 2.365 281 L HA 0.609 4.978 4.340 0.049 0.000 0.273 281 L C -0.500 176.370 176.870 -0.000 0.000 1.000 281 L CA -0.719 54.083 54.840 -0.062 0.000 0.819 281 L CB 2.229 44.137 42.059 -0.252 0.000 1.284 281 L HN 0.608 nan 8.230 nan 0.000 0.418 282 K N 1.601 122.060 120.400 0.098 0.000 2.395 282 K HA 0.733 5.082 4.320 0.049 0.000 0.247 282 K C -2.962 173.777 176.600 0.232 0.000 0.973 282 K CA -2.189 54.172 56.287 0.124 0.000 0.828 282 K CB 1.935 34.455 32.500 0.032 0.000 1.272 282 K HN 0.075 nan 8.250 nan 0.000 0.439 283 P HA 0.009 nan 4.420 nan 0.000 0.268 283 P C -1.045 176.283 177.300 0.047 0.000 1.205 283 P CA -0.228 62.953 63.100 0.135 0.000 0.771 283 P CB 0.546 32.292 31.700 0.077 0.000 0.858 284 R N 3.931 124.423 120.500 -0.013 0.000 2.308 284 R HA 0.350 4.719 4.340 0.049 0.000 0.305 284 R C -1.754 174.524 176.300 -0.035 0.000 1.053 284 R CA -1.491 54.597 56.100 -0.020 0.000 0.957 284 R CB -0.308 29.969 30.300 -0.038 0.000 1.022 284 R HN 0.411 nan 8.270 nan 0.000 0.461 293 R N 0.299 120.788 120.500 -0.018 0.000 4.496 293 R HA 0.716 5.085 4.340 0.049 0.000 0.211 293 R C 0.304 176.582 176.300 -0.036 0.000 1.738 293 R CA 0.169 56.252 56.100 -0.029 0.000 1.528 293 R CB -1.171 29.114 30.300 -0.026 0.000 1.414 293 R HN 1.321 nan 8.270 nan 0.000 0.812 294 K N 1.885 122.263 120.400 -0.036 0.000 2.235 294 K HA 0.300 4.649 4.320 0.049 0.000 0.266 294 K C 0.994 177.532 176.600 -0.102 0.000 0.980 294 K CA -0.216 56.048 56.287 -0.037 0.000 0.849 294 K CB 0.882 33.386 32.500 0.006 0.000 1.098 294 K HN 0.677 nan 8.250 nan 0.000 0.445 295 K N 0.636 120.910 120.400 -0.210 0.000 2.148 295 K HA 0.041 4.390 4.320 0.049 0.000 0.204 295 K C -0.243 176.016 176.600 -0.569 0.000 1.050 295 K CA 0.675 56.687 56.287 -0.458 0.000 0.942 295 K CB -0.240 31.835 32.500 -0.708 0.000 0.724 295 K HN 0.463 nan 8.250 nan 0.000 0.446 296 F N 1.145 121.092 119.950 -0.004 0.000 2.523 296 F HA 0.343 4.897 4.527 0.045 0.000 0.329 296 F C -0.019 175.777 175.800 -0.006 0.000 1.061 296 F CA -1.240 56.758 58.000 -0.004 0.000 0.967 296 F CB 1.784 40.784 39.000 -0.001 0.000 1.218 296 F HN -0.126 nan 8.300 nan 0.000 0.480 297 Q N 2.158 122.079 119.800 0.203 0.000 2.321 297 Q HA 0.365 4.734 4.340 0.049 0.000 0.270 297 Q C -1.439 174.610 176.000 0.082 0.000 1.032 297 Q CA -0.916 54.947 55.803 0.101 0.000 0.784 297 Q CB 1.629 30.401 28.738 0.057 0.000 1.264 297 Q HN 0.595 nan 8.270 nan 0.000 0.448 298 K N 1.739 122.172 120.400 0.055 0.000 2.237 298 K HA 0.386 4.736 4.320 0.049 0.000 0.270 298 K C -0.350 176.261 176.600 0.018 0.000 1.015 298 K CA -0.373 55.931 56.287 0.030 0.000 0.949 298 K CB 1.096 33.609 32.500 0.021 0.000 0.976 298 K HN 0.495 nan 8.250 nan 0.000 0.472 299 V N -1.484 118.436 119.914 0.010 0.000 3.040 299 V HA 0.303 4.452 4.120 0.049 0.000 0.312 299 V C -0.199 175.896 176.094 0.001 0.000 1.115 299 V CA -0.857 61.447 62.300 0.005 0.000 0.998 299 V CB 2.005 33.831 31.823 0.005 0.000 1.042 299 V HN 0.611 nan 8.190 nan 0.000 0.433 300 D N 0.858 121.259 120.400 0.000 0.000 2.271 300 D HA 0.152 4.821 4.640 0.049 0.000 0.206 300 D C 0.631 176.928 176.300 -0.005 0.000 0.967 300 D CA 1.391 55.390 54.000 -0.003 0.000 0.867 300 D CB 0.563 41.362 40.800 -0.002 0.000 0.960 300 D HN 0.951 nan 8.370 nan 0.000 0.509 301 E N -0.705 119.494 120.200 -0.002 0.000 2.409 301 E HA 0.370 4.749 4.350 0.049 0.000 0.280 301 E C -1.379 175.223 176.600 0.004 0.000 1.079 301 E CA -0.899 55.498 56.400 -0.004 0.000 0.840 301 E CB 1.877 31.573 29.700 -0.007 0.000 1.309 301 E HN -0.146 nan 8.360 nan 0.000 0.447 302 V N -1.259 118.657 119.914 0.003 0.000 2.888 302 V HA 0.768 4.917 4.120 0.049 0.000 0.309 302 V C -1.097 174.995 176.094 -0.003 0.000 1.114 302 V CA -0.711 61.600 62.300 0.019 0.000 0.940 302 V CB 1.532 33.384 31.823 0.047 0.000 1.021 302 V HN 0.564 nan 8.190 nan 0.000 0.426 303 V N 3.252 123.165 119.914 -0.002 0.000 2.630 303 V HA 0.804 4.954 4.120 0.049 0.000 0.305 303 V C 1.128 177.183 176.094 -0.065 0.000 1.046 303 V CA -0.148 62.133 62.300 -0.032 0.000 0.934 303 V CB 1.749 33.559 31.823 -0.021 0.000 1.003 303 V HN 1.669 nan 8.190 nan 0.000 0.451 304 A N 3.741 126.502 122.820 -0.099 0.000 2.610 304 A HA 0.366 4.715 4.320 0.049 0.000 0.250 304 A C 0.980 178.445 177.584 -0.198 0.000 0.978 304 A CA 0.873 52.822 52.037 -0.148 0.000 0.827 304 A CB -0.897 18.032 19.000 -0.118 0.000 0.867 304 A HN 2.525 nan 8.150 nan 0.000 0.495 305 A N 0.651 123.258 122.820 -0.354 0.000 4.399 305 A HA 0.536 4.886 4.320 0.049 0.000 0.203 305 A C 0.107 177.217 177.584 -0.791 0.000 1.143 305 A CA 0.303 51.919 52.037 -0.702 0.000 0.841 305 A CB -1.731 17.014 19.000 -0.424 0.000 0.906 305 A HN 2.891 nan 8.150 nan 0.000 0.451 306 A N -0.451 121.993 122.820 -0.627 0.000 2.594 306 A HA 0.963 5.312 4.320 0.049 0.000 0.295 306 A C 0.098 177.780 177.584 0.162 0.000 1.071 306 A CA 0.070 52.031 52.037 -0.127 0.000 0.685 306 A CB 1.056 20.127 19.000 0.118 0.000 1.285 306 A HN 2.234 nan 8.150 nan 0.000 0.405 307 G N 0.285 109.369 108.800 0.473 0.000 2.487 307 G HA2 0.607 4.597 3.960 0.049 0.000 0.314 307 G HA3 0.607 4.597 3.960 0.049 0.000 0.314 307 G C -1.262 173.811 174.900 0.288 0.000 1.267 307 G CA -0.228 45.090 45.100 0.362 0.000 0.937 307 G HN 0.925 nan 8.290 nan 0.000 0.481 308 I N 0.569 121.234 120.570 0.158 0.000 2.969 308 I HA 0.621 4.821 4.170 0.049 0.000 0.307 308 I C -0.707 175.427 176.117 0.028 0.000 1.149 308 I CA -1.375 59.981 61.300 0.093 0.000 1.008 308 I CB 2.487 40.525 38.000 0.063 0.000 1.232 308 I HN 0.362 nan 8.210 nan 0.000 0.435 309 K N 6.840 127.222 120.400 -0.030 0.000 2.235 309 K HA 0.635 4.984 4.320 0.049 0.000 0.266 309 K C -1.587 174.942 176.600 -0.118 0.000 0.980 309 K CA -0.462 55.762 56.287 -0.105 0.000 0.849 309 K CB 0.862 33.212 32.500 -0.250 0.000 1.098 309 K HN 0.618 nan 8.250 nan 0.000 0.445 310 I N 4.204 124.719 120.570 -0.092 0.000 2.412 310 I HA 0.271 4.471 4.170 0.049 0.000 0.296 310 I C -0.641 175.424 176.117 -0.086 0.000 0.987 310 I CA -1.288 59.965 61.300 -0.077 0.000 1.180 310 I CB 2.039 40.010 38.000 -0.048 0.000 1.340 310 I HN 0.271 nan 8.210 nan 0.000 0.455 311 V N 5.270 125.136 119.914 -0.079 0.000 2.384 311 V HA 0.859 5.008 4.120 0.049 0.000 0.287 311 V C 0.021 176.087 176.094 -0.045 0.000 1.020 311 V CA -0.324 61.934 62.300 -0.069 0.000 0.850 311 V CB 1.155 32.934 31.823 -0.074 0.000 0.987 311 V HN 0.895 nan 8.190 nan 0.000 0.436 312 A N 5.711 128.509 122.820 -0.037 0.000 2.612 312 A HA 0.868 5.218 4.320 0.049 0.000 0.293 312 A C -2.736 174.835 177.584 -0.023 0.000 1.075 312 A CA -1.005 51.015 52.037 -0.027 0.000 0.680 312 A CB 1.730 20.714 19.000 -0.026 0.000 1.279 312 A HN 0.536 nan 8.150 nan 0.000 0.411 313 P HA 0.108 nan 4.420 nan 0.000 0.221 313 P C 1.254 178.547 177.300 -0.013 0.000 1.155 313 P CA 1.376 64.467 63.100 -0.015 0.000 0.812 313 P CB 0.317 32.010 31.700 -0.012 0.000 0.801 314 G N 0.219 109.011 108.800 -0.013 0.000 3.124 314 G HA2 0.170 4.159 3.960 0.049 0.000 0.212 314 G HA3 0.170 4.159 3.960 0.049 0.000 0.212 314 G C 0.661 175.555 174.900 -0.010 0.000 1.181 314 G CA -0.191 44.902 45.100 -0.011 0.000 0.803 314 G HN 0.314 nan 8.290 nan 0.000 0.529 315 I N -4.535 116.028 120.570 -0.012 0.000 3.210 315 I HA 0.803 5.002 4.170 0.049 0.000 0.316 315 I C 0.281 176.392 176.117 -0.011 0.000 1.067 315 I CA -0.806 60.487 61.300 -0.012 0.000 1.047 315 I CB 1.991 39.982 38.000 -0.015 0.000 1.352 315 I HN -0.022 nan 8.210 nan 0.000 0.565 316 D N -0.767 119.627 120.400 -0.009 0.000 3.618 316 D HA -0.137 4.532 4.640 0.049 0.000 0.212 316 D C 0.274 176.570 176.300 -0.007 0.000 0.422 316 D CA 0.587 54.582 54.000 -0.008 0.000 0.748 316 D CB -0.696 40.099 40.800 -0.008 0.000 1.574 316 D HN 0.800 nan 8.370 nan 0.000 0.491 317 D N 0.684 121.080 120.400 -0.006 0.000 2.402 317 D HA 0.212 4.881 4.640 0.049 0.000 0.216 317 D C -0.384 175.914 176.300 -0.003 0.000 1.128 317 D CA 0.147 54.144 54.000 -0.005 0.000 0.833 317 D CB 0.698 41.496 40.800 -0.004 0.000 0.971 317 D HN -0.008 nan 8.370 nan 0.000 0.503 318 V N 1.875 121.787 119.914 -0.004 0.000 2.655 318 V HA 0.048 4.197 4.120 0.049 0.000 0.300 318 V C 0.724 176.819 176.094 0.001 0.000 1.044 318 V CA 0.023 62.322 62.300 -0.002 0.000 1.095 318 V CB 1.155 32.976 31.823 -0.004 0.000 0.952 318 V HN 0.265 nan 8.190 nan 0.000 0.485 319 M N 4.458 124.061 119.600 0.005 0.000 2.216 319 M HA 0.546 5.055 4.480 0.049 0.000 0.356 319 M C 0.426 176.733 176.300 0.012 0.000 1.205 319 M CA -0.377 54.928 55.300 0.009 0.000 1.122 319 M CB 0.987 33.594 32.600 0.011 0.000 1.571 319 M HN 0.824 nan 8.290 nan 0.000 0.464 320 A N 3.272 126.099 122.820 0.013 0.000 2.483 320 A HA 0.468 4.817 4.320 0.049 0.000 0.238 320 A C 1.154 178.751 177.584 0.021 0.000 1.070 320 A CA 0.594 52.641 52.037 0.016 0.000 0.770 320 A CB -0.410 18.598 19.000 0.015 0.000 1.008 320 A HN 1.450 nan 8.150 nan 0.000 0.497 321 G N 0.389 109.202 108.800 0.022 0.000 2.253 321 G HA2 -0.217 3.772 3.960 0.049 0.000 0.251 321 G HA3 -0.217 3.772 3.960 0.049 0.000 0.251 321 G C 0.834 175.751 174.900 0.028 0.000 0.998 321 G CA 0.884 45.998 45.100 0.024 0.000 0.621 321 G HN 1.984 nan 8.290 nan 0.000 0.524 322 S N 2.129 117.844 115.700 0.026 0.000 2.558 322 S HA 0.467 4.966 4.470 0.049 0.000 0.288 322 S C -1.646 172.976 174.600 0.036 0.000 1.318 322 S CA -0.065 58.150 58.200 0.026 0.000 1.056 322 S CB 0.809 64.019 63.200 0.018 0.000 0.853 322 S HN 0.242 nan 8.310 nan 0.000 0.505 323 P HA 0.278 nan 4.420 nan 0.000 0.272 323 P C -1.139 176.178 177.300 0.029 0.000 1.230 323 P CA -0.486 62.648 63.100 0.056 0.000 0.788 323 P CB 0.425 32.157 31.700 0.053 0.000 0.949 324 L N 3.086 124.319 121.223 0.017 0.000 2.381 324 L HA 0.547 4.916 4.340 0.049 0.000 0.274 324 L C -0.918 175.924 176.870 -0.047 0.000 0.988 324 L CA -0.285 54.545 54.840 -0.017 0.000 0.824 324 L CB 1.075 43.119 42.059 -0.025 0.000 1.263 324 L HN 0.240 nan 8.230 nan 0.000 0.410 325 R N 4.134 124.609 120.500 -0.041 0.000 2.533 325 R HA 0.491 4.861 4.340 0.049 0.000 0.288 325 R C -1.221 175.051 176.300 -0.045 0.000 1.039 325 R CA -0.803 55.267 56.100 -0.051 0.000 0.909 325 R CB 1.949 32.230 30.300 -0.031 0.000 1.195 325 R HN 0.534 nan 8.270 nan 0.000 0.438 326 V N 2.763 122.643 119.914 -0.055 0.000 2.686 326 V HA 0.272 4.421 4.120 0.049 0.000 0.295 326 V C -0.161 175.913 176.094 -0.033 0.000 1.055 326 V CA -0.217 62.057 62.300 -0.043 0.000 1.050 326 V CB 1.410 33.205 31.823 -0.047 0.000 0.984 326 V HN 0.418 nan 8.190 nan 0.000 0.482 327 V N 6.412 126.310 119.914 -0.026 0.000 2.439 327 V HA 0.473 4.622 4.120 0.049 0.000 0.282 327 V C 1.118 177.201 176.094 -0.018 0.000 1.039 327 V CA 0.488 62.776 62.300 -0.020 0.000 0.913 327 V CB 1.126 32.939 31.823 -0.016 0.000 0.983 327 V HN 1.152 nan 8.190 nan 0.000 0.460 328 T N -1.409 113.135 114.554 -0.016 0.000 2.992 328 T HA 0.193 4.572 4.350 0.049 0.000 0.255 328 T C 0.126 174.820 174.700 -0.011 0.000 0.938 328 T CA 0.099 62.191 62.100 -0.014 0.000 0.895 328 T CB 0.478 69.337 68.868 -0.015 0.000 1.221 328 T HN 0.517 nan 8.240 nan 0.000 0.512 329 D N 1.611 122.005 120.400 -0.010 0.000 2.330 329 D HA 0.382 5.051 4.640 0.049 0.000 0.249 329 D C -2.358 173.937 176.300 -0.008 0.000 1.306 329 D CA -1.983 52.012 54.000 -0.008 0.000 0.956 329 D CB 2.082 42.877 40.800 -0.007 0.000 1.261 329 D HN -0.129 nan 8.370 nan 0.000 0.544 330 P HA -0.174 nan 4.420 nan 0.000 0.216 330 P C 1.011 178.308 177.300 -0.005 0.000 1.157 330 P CA 1.123 64.219 63.100 -0.007 0.000 0.880 330 P CB 0.542 32.238 31.700 -0.006 0.000 0.791 331 E N -0.578 119.619 120.200 -0.004 0.000 2.285 331 E HA -0.114 4.265 4.350 0.049 0.000 0.194 331 E C 1.891 178.490 176.600 -0.003 0.000 0.997 331 E CA 0.958 57.356 56.400 -0.003 0.000 0.845 331 E CB -0.500 29.198 29.700 -0.003 0.000 0.782 331 E HN 0.092 nan 8.360 nan 0.000 0.491 332 K N -0.568 119.830 120.400 -0.003 0.000 2.103 332 K HA -0.027 4.323 4.320 0.049 0.000 0.204 332 K C 1.667 178.265 176.600 -0.002 0.000 1.052 332 K CA 1.087 57.372 56.287 -0.003 0.000 0.945 332 K CB 0.153 32.651 32.500 -0.003 0.000 0.722 332 K HN 0.022 nan 8.250 nan 0.000 0.443 333 V N 1.194 121.106 119.914 -0.004 0.000 2.488 333 V HA -0.106 4.044 4.120 0.049 0.000 0.246 333 V C 2.467 178.561 176.094 -0.002 0.000 1.046 333 V CA 1.548 63.846 62.300 -0.004 0.000 1.053 333 V CB -0.456 31.362 31.823 -0.008 0.000 0.679 333 V HN 0.362 nan 8.190 nan 0.000 0.458 334 R N 0.260 120.759 120.500 -0.002 0.000 2.096 334 R HA -0.173 4.196 4.340 0.049 0.000 0.235 334 R C 2.473 178.774 176.300 0.001 0.000 1.127 334 R CA 1.850 57.950 56.100 -0.001 0.000 0.968 334 R CB -0.188 30.111 30.300 -0.002 0.000 0.861 334 R HN 0.492 nan 8.270 nan 0.000 0.440 335 E N 0.484 120.685 120.200 0.001 0.000 2.072 335 E HA -0.164 4.215 4.350 0.049 0.000 0.191 335 E C 1.622 178.224 176.600 0.003 0.000 0.985 335 E CA 1.599 58.000 56.400 0.001 0.000 0.801 335 E CB -0.037 29.664 29.700 0.001 0.000 0.750 335 E HN 0.584 nan 8.360 nan 0.000 0.452 336 E N -0.268 119.935 120.200 0.004 0.000 2.051 336 E HA -0.103 4.276 4.350 0.049 0.000 0.192 336 E C 2.290 178.896 176.600 0.010 0.000 0.991 336 E CA 1.505 57.910 56.400 0.007 0.000 0.799 336 E CB -0.231 29.474 29.700 0.008 0.000 0.748 336 E HN 0.447 nan 8.360 nan 0.000 0.449 337 I N 0.885 121.460 120.570 0.009 0.000 2.252 337 I HA -0.269 3.930 4.170 0.049 0.000 0.245 337 I C 2.298 178.421 176.117 0.009 0.000 1.102 337 I CA 0.883 62.190 61.300 0.012 0.000 1.385 337 I CB -0.152 37.854 38.000 0.009 0.000 1.064 337 I HN 0.131 nan 8.210 nan 0.000 0.414 338 L N -0.132 121.094 121.223 0.006 0.000 2.046 338 L HA -0.210 4.159 4.340 0.049 0.000 0.208 338 L C 2.698 179.570 176.870 0.004 0.000 1.077 338 L CA 1.253 56.096 54.840 0.004 0.000 0.747 338 L CB -0.506 41.555 42.059 0.002 0.000 0.896 338 L HN 0.182 nan 8.230 nan 0.000 0.432 339 S N -0.659 115.044 115.700 0.004 0.000 2.370 339 S HA -0.247 4.252 4.470 0.049 0.000 0.226 339 S C 1.874 176.476 174.600 0.004 0.000 1.033 339 S CA 1.379 59.581 58.200 0.003 0.000 1.011 339 S CB -0.196 63.006 63.200 0.004 0.000 0.852 339 S HN 0.407 nan 8.310 nan 0.000 0.457 340 E N 0.482 120.687 120.200 0.009 0.000 2.077 340 E HA -0.138 4.241 4.350 0.049 0.000 0.193 340 E C 1.855 178.460 176.600 0.009 0.000 0.989 340 E CA 1.012 57.419 56.400 0.012 0.000 0.800 340 E CB -0.019 29.693 29.700 0.020 0.000 0.746 340 E HN 0.319 nan 8.360 nan 0.000 0.452 341 I N 1.634 122.209 120.570 0.008 0.000 2.142 341 I HA -0.234 3.965 4.170 0.049 0.000 0.240 341 I C 2.229 178.347 176.117 0.001 0.000 1.078 341 I CA 1.256 62.559 61.300 0.006 0.000 1.343 341 I CB -1.366 36.638 38.000 0.006 0.000 1.046 341 I HN 0.150 nan 8.210 nan 0.000 0.405 342 E N 1.368 121.567 120.200 -0.001 0.000 2.130 342 E HA -0.244 4.135 4.350 0.049 0.000 0.196 342 E C 1.573 178.168 176.600 -0.008 0.000 0.998 342 E CA 1.633 58.030 56.400 -0.004 0.000 0.806 342 E CB -0.742 28.956 29.700 -0.004 0.000 0.738 342 E HN 0.683 nan 8.360 nan 0.000 0.459 343 D N 0.042 120.437 120.400 -0.008 0.000 2.351 343 D HA -0.130 4.540 4.640 0.049 0.000 0.216 343 D C 1.728 178.017 176.300 -0.019 0.000 0.968 343 D CA 0.669 54.661 54.000 -0.013 0.000 0.899 343 D CB -0.320 40.473 40.800 -0.011 0.000 0.907 343 D HN 0.292 nan 8.370 nan 0.000 0.514 344 I N -0.840 119.721 120.570 -0.015 0.000 3.445 344 I HA -0.005 4.194 4.170 0.049 0.000 0.288 344 I C 2.085 178.189 176.117 -0.021 0.000 1.198 344 I CA -0.227 61.061 61.300 -0.019 0.000 1.417 344 I CB 0.138 38.133 38.000 -0.009 0.000 1.205 344 I HN -0.222 nan 8.210 nan 0.000 0.448 345 K N 1.476 121.867 120.400 -0.015 0.000 2.113 345 K HA -0.048 4.301 4.320 0.049 0.000 0.208 345 K C 0.619 177.207 176.600 -0.020 0.000 1.047 345 K CA 0.814 57.092 56.287 -0.014 0.000 0.928 345 K CB -0.341 32.154 32.500 -0.008 0.000 0.716 345 K HN 0.278 nan 8.250 nan 0.000 0.446 346 I N 1.746 122.302 120.570 -0.023 0.000 8.460 346 I HA -0.292 3.907 4.170 0.049 0.000 0.126 346 I C -0.398 175.706 176.117 -0.022 0.000 1.782 346 I CA 0.461 61.745 61.300 -0.027 0.000 2.151 346 I CB -0.427 37.550 38.000 -0.038 0.000 3.701 346 I HN 0.239 nan 8.210 nan 0.000 0.203 347 D N 5.645 126.033 120.400 -0.019 0.000 2.752 347 D HA 0.277 4.946 4.640 0.049 0.000 0.242 347 D C -0.026 176.267 176.300 -0.012 0.000 1.295 347 D CA 0.311 54.303 54.000 -0.014 0.000 0.846 347 D CB 0.684 41.479 40.800 -0.009 0.000 1.454 347 D HN 0.642 nan 8.370 nan 0.000 0.535 348 T N -0.985 113.560 114.554 -0.015 0.000 2.797 348 T HA 0.569 4.949 4.350 0.049 0.000 0.267 348 T C 0.422 175.119 174.700 -0.005 0.000 0.986 348 T CA -0.227 61.866 62.100 -0.011 0.000 0.999 348 T CB 1.395 70.254 68.868 -0.015 0.000 1.508 348 T HN -0.063 nan 8.240 nan 0.000 0.595 349 D N -1.159 119.241 120.400 -0.001 0.000 2.457 349 D HA 0.213 4.882 4.640 0.049 0.000 0.254 349 D C 0.461 176.768 176.300 0.011 0.000 1.097 349 D CA -0.337 53.668 54.000 0.009 0.000 0.870 349 D CB 0.304 41.112 40.800 0.014 0.000 1.253 349 D HN 0.383 nan 8.370 nan 0.000 0.500 350 E N 1.435 121.637 120.200 0.004 0.000 2.447 350 E HA 0.264 4.643 4.350 0.049 0.000 0.259 350 E C 1.077 177.669 176.600 -0.012 0.000 1.196 350 E CA 0.544 56.948 56.400 0.007 0.000 0.995 350 E CB 0.442 30.142 29.700 0.001 0.000 0.974 350 E HN 0.157 nan 8.360 nan 0.000 0.465 351 A N 0.475 123.295 122.820 -0.000 0.000 5.868 351 A HA -0.119 4.230 4.320 0.049 0.000 0.338 351 A C 0.743 178.264 177.584 -0.105 0.000 1.815 351 A CA 1.594 53.591 52.037 -0.066 0.000 0.862 351 A CB -1.608 17.273 19.000 -0.198 0.000 1.325 351 A HN 0.941 nan 8.150 nan 0.000 0.427 352 G N -4.408 104.139 108.800 -0.423 0.000 2.663 352 G HA2 0.771 4.760 3.960 0.049 0.000 0.299 352 G HA3 0.771 4.760 3.960 0.049 0.000 0.299 352 G C -0.591 174.137 174.900 -0.287 0.000 1.372 352 G CA 0.597 45.567 45.100 -0.216 0.000 0.781 352 G HN 2.380 nan 8.290 nan 0.000 0.491 353 V N -1.601 118.288 119.914 -0.041 0.000 3.065 353 V HA -0.110 4.039 4.120 0.049 0.000 0.444 353 V C -0.466 175.603 176.094 -0.042 0.000 0.682 353 V CA -0.698 61.583 62.300 -0.031 0.000 1.979 353 V CB -0.974 30.762 31.823 -0.144 0.000 2.461 353 V HN 1.071 nan 8.190 nan 0.000 0.490 354 V N 6.353 126.263 119.914 -0.006 0.000 2.370 354 V HA 0.672 4.821 4.120 0.049 0.000 0.283 354 V C 0.013 176.095 176.094 -0.019 0.000 1.023 354 V CA -0.551 61.744 62.300 -0.009 0.000 0.857 354 V CB 1.891 33.723 31.823 0.015 0.000 0.985 354 V HN 0.676 nan 8.190 nan 0.000 0.443 355 V N 5.660 125.558 119.914 -0.028 0.000 2.495 355 V HA 0.661 4.811 4.120 0.049 0.000 0.298 355 V C -0.270 175.824 176.094 0.001 0.000 1.031 355 V CA -0.853 61.433 62.300 -0.022 0.000 0.871 355 V CB 2.000 33.794 31.823 -0.049 0.000 0.988 355 V HN 0.714 nan 8.190 nan 0.000 0.432 356 K N 3.101 123.517 120.400 0.026 0.000 2.443 356 K HA 0.887 5.237 4.320 0.049 0.000 0.252 356 K C -0.579 176.071 176.600 0.083 0.000 0.933 356 K CA -0.290 56.020 56.287 0.039 0.000 0.792 356 K CB 2.509 35.026 32.500 0.029 0.000 1.185 356 K HN 0.841 nan 8.250 nan 0.000 0.425 357 A N 1.228 124.103 122.820 0.091 0.000 2.485 357 A HA 0.487 4.836 4.320 0.049 0.000 0.292 357 A C 0.294 177.955 177.584 0.129 0.000 1.147 357 A CA -0.510 51.631 52.037 0.174 0.000 0.750 357 A CB 0.882 19.980 19.000 0.164 0.000 1.331 357 A HN 0.720 nan 8.150 nan 0.000 0.419 358 D N -0.473 120.030 120.400 0.172 0.000 2.289 358 D HA 0.064 4.733 4.640 0.049 0.000 0.207 358 D C 0.415 176.760 176.300 0.076 0.000 0.966 358 D CA 1.232 55.287 54.000 0.091 0.000 0.868 358 D CB 0.131 40.966 40.800 0.058 0.000 0.943 358 D HN 0.280 nan 8.370 nan 0.000 0.514 359 T N -0.151 114.460 114.554 0.095 0.000 2.883 359 T HA 0.278 4.657 4.350 0.049 0.000 0.296 359 T C 0.505 175.232 174.700 0.044 0.000 1.117 359 T CA -0.678 61.459 62.100 0.061 0.000 1.006 359 T CB 2.181 71.089 68.868 0.067 0.000 1.191 359 T HN -0.112 nan 8.240 nan 0.000 0.508 360 L N 2.024 123.265 121.223 0.031 0.000 2.093 360 L HA 0.212 4.581 4.340 0.049 0.000 0.208 360 L C 2.264 179.147 176.870 0.021 0.000 1.085 360 L CA 2.320 57.173 54.840 0.023 0.000 0.755 360 L CB -0.866 41.206 42.059 0.022 0.000 0.904 360 L HN 0.833 nan 8.230 nan 0.000 0.435 361 G N -1.458 107.355 108.800 0.021 0.000 2.394 361 G HA2 -0.229 3.760 3.960 0.049 0.000 0.215 361 G HA3 -0.229 3.760 3.960 0.049 0.000 0.215 361 G C 1.605 176.500 174.900 -0.008 0.000 1.165 361 G CA 0.852 45.962 45.100 0.015 0.000 0.784 361 G HN 0.550 nan 8.290 nan 0.000 0.535 362 S N 0.337 116.022 115.700 -0.024 0.000 2.402 362 S HA 0.071 4.570 4.470 0.049 0.000 0.229 362 S C 2.269 176.779 174.600 -0.150 0.000 1.021 362 S CA 0.737 58.849 58.200 -0.146 0.000 0.974 362 S CB -0.338 62.843 63.200 -0.032 0.000 0.800 362 S HN 0.233 nan 8.310 nan 0.000 0.484 363 L N 1.477 122.676 121.223 -0.041 0.000 2.017 363 L HA -0.119 4.250 4.340 0.049 0.000 0.208 363 L C 2.946 179.786 176.870 -0.049 0.000 1.073 363 L CA 2.305 57.125 54.840 -0.033 0.000 0.745 363 L CB -0.552 41.506 42.059 -0.002 0.000 0.894 363 L HN 0.515 nan 8.230 nan 0.000 0.432 364 E N -0.257 119.930 120.200 -0.022 0.000 2.077 364 E HA -0.251 4.128 4.350 0.049 0.000 0.193 364 E C 2.058 178.638 176.600 -0.033 0.000 0.989 364 E CA 1.280 57.672 56.400 -0.013 0.000 0.800 364 E CB -0.016 29.713 29.700 0.048 0.000 0.746 364 E HN 0.563 nan 8.360 nan 0.000 0.452 365 A N 0.555 123.371 122.820 -0.008 0.000 1.865 365 A HA -0.171 4.178 4.320 0.049 0.000 0.217 365 A C 2.447 179.968 177.584 -0.105 0.000 1.191 365 A CA 1.747 53.774 52.037 -0.016 0.000 0.623 365 A CB -0.906 18.076 19.000 -0.030 0.000 0.826 365 A HN 0.232 nan 8.150 nan 0.000 0.444 366 V N -0.368 119.452 119.914 -0.156 0.000 2.287 366 V HA -0.250 3.899 4.120 0.049 0.000 0.248 366 V C 2.567 178.588 176.094 -0.121 0.000 1.053 366 V CA 2.037 64.248 62.300 -0.148 0.000 1.027 366 V CB -0.888 30.847 31.823 -0.147 0.000 0.646 366 V HN 0.365 nan 8.190 nan 0.000 0.447 367 V N -0.171 119.677 119.914 -0.109 0.000 2.392 367 V HA -0.280 3.869 4.120 0.049 0.000 0.249 367 V C 2.498 178.517 176.094 -0.124 0.000 1.059 367 V CA 2.287 64.523 62.300 -0.107 0.000 1.051 367 V CB -0.648 31.122 31.823 -0.088 0.000 0.658 367 V HN 0.499 nan 8.190 nan 0.000 0.455 368 K N 0.609 120.926 120.400 -0.138 0.000 2.025 368 K HA -0.037 4.312 4.320 0.049 0.000 0.207 368 K C 1.815 178.320 176.600 -0.158 0.000 1.049 368 K CA 1.590 57.774 56.287 -0.171 0.000 0.933 368 K CB -0.456 31.901 32.500 -0.238 0.000 0.714 368 K HN 0.458 nan 8.250 nan 0.000 0.438 369 I N 0.436 120.927 120.570 -0.131 0.000 2.226 369 I HA -0.263 3.936 4.170 0.049 0.000 0.245 369 I C 2.106 178.154 176.117 -0.115 0.000 1.100 369 I CA 1.101 62.337 61.300 -0.107 0.000 1.374 369 I CB -0.386 37.573 38.000 -0.070 0.000 1.057 369 I HN 0.085 nan 8.210 nan 0.000 0.413 370 L N 0.409 121.559 121.223 -0.121 0.000 2.141 370 L HA -0.147 4.222 4.340 0.049 0.000 0.209 370 L C 2.864 179.657 176.870 -0.129 0.000 1.094 370 L CA 1.183 55.950 54.840 -0.122 0.000 0.763 370 L CB -0.465 41.507 42.059 -0.145 0.000 0.908 370 L HN 0.189 nan 8.230 nan 0.000 0.437 371 R N -0.259 120.150 120.500 -0.153 0.000 2.090 371 R HA -0.140 4.229 4.340 0.049 0.000 0.228 371 R C 1.606 177.722 176.300 -0.306 0.000 1.110 371 R CA 1.412 57.404 56.100 -0.179 0.000 0.973 371 R CB -0.375 29.829 30.300 -0.159 0.000 0.869 371 R HN 0.285 nan 8.270 nan 0.000 0.440 372 D N 0.283 120.504 120.400 -0.298 0.000 2.310 372 D HA -0.054 4.615 4.640 0.049 0.000 0.212 372 D C 1.314 177.307 176.300 -0.512 0.000 0.965 372 D CA 0.946 54.702 54.000 -0.407 0.000 0.879 372 D CB 0.155 40.810 40.800 -0.242 0.000 0.921 372 D HN 0.122 nan 8.370 nan 0.000 0.510 373 M N -1.283 118.145 119.600 -0.287 0.000 2.428 373 M HA 0.089 4.599 4.480 0.049 0.000 0.239 373 M C -0.287 176.068 176.300 0.091 0.000 1.121 373 M CA -0.022 55.236 55.300 -0.070 0.000 1.019 373 M CB 0.296 32.910 32.600 0.023 0.000 1.485 373 M HN 0.007 nan 8.290 nan 0.000 0.484 374 Y N -1.765 118.540 120.300 0.009 0.000 3.825 374 Y HA -0.190 4.391 4.550 0.051 0.000 0.221 374 Y C -0.361 175.560 175.900 0.035 0.000 1.195 374 Y CA -0.268 57.841 58.100 0.015 0.000 1.699 374 Y CB -2.534 35.940 38.460 0.024 0.000 1.531 374 Y HN 0.027 nan 8.280 nan 0.000 0.640 375 V N 3.156 123.132 119.914 0.103 0.000 2.348 375 V HA 0.277 4.426 4.120 0.049 0.000 0.270 375 V C -1.297 174.771 176.094 -0.044 0.000 1.037 375 V CA -1.802 60.547 62.300 0.082 0.000 0.872 375 V CB 1.217 33.072 31.823 0.053 0.000 1.002 375 V HN 0.011 nan 8.190 nan 0.000 0.464 376 P HA 0.271 nan 4.420 nan 0.000 0.269 376 P C -0.786 176.366 177.300 -0.247 0.000 1.209 376 P CA 0.047 63.032 63.100 -0.191 0.000 0.776 376 P CB 1.254 32.793 31.700 -0.267 0.000 0.876 377 I N 2.052 122.516 120.570 -0.177 0.000 2.466 377 I HA 0.273 4.472 4.170 0.049 0.000 0.289 377 I C 1.461 177.509 176.117 -0.115 0.000 1.026 377 I CA -0.597 60.614 61.300 -0.148 0.000 1.078 377 I CB 2.553 40.485 38.000 -0.113 0.000 1.249 377 I HN 0.354 nan 8.210 nan 0.000 0.429 378 K N 4.047 124.388 120.400 -0.098 0.000 2.168 378 K HA 0.262 4.611 4.320 0.049 0.000 0.201 378 K C -0.130 176.447 176.600 -0.038 0.000 1.049 378 K CA 0.871 57.123 56.287 -0.058 0.000 0.974 378 K CB 0.701 33.180 32.500 -0.035 0.000 0.792 378 K HN 0.440 nan 8.250 nan 0.000 0.463 379 V N 1.075 120.968 119.914 -0.036 0.000 2.638 379 V HA 0.596 4.745 4.120 0.049 0.000 0.306 379 V C -1.307 174.769 176.094 -0.029 0.000 1.052 379 V CA -0.992 61.294 62.300 -0.024 0.000 0.885 379 V CB 1.541 33.358 31.823 -0.010 0.000 0.999 379 V HN 0.207 nan 8.190 nan 0.000 0.424 380 A N 3.332 126.137 122.820 -0.026 0.000 2.411 380 A HA 0.827 5.176 4.320 0.049 0.000 0.285 380 A C -1.056 176.520 177.584 -0.013 0.000 1.129 380 A CA -0.330 51.692 52.037 -0.025 0.000 0.736 380 A CB 1.144 20.122 19.000 -0.037 0.000 1.186 380 A HN 0.753 nan 8.150 nan 0.000 0.445 381 D N 1.353 121.751 120.400 -0.004 0.000 2.665 381 D HA 0.495 5.164 4.640 0.049 0.000 0.287 381 D C -1.029 175.279 176.300 0.013 0.000 1.266 381 D CA -0.254 53.748 54.000 0.003 0.000 0.830 381 D CB 1.751 42.553 40.800 0.002 0.000 1.356 381 D HN 0.432 nan 8.370 nan 0.000 0.437 382 I N 0.678 121.257 120.570 0.014 0.000 2.488 382 I HA 0.645 4.844 4.170 0.049 0.000 0.299 382 I C 0.925 177.052 176.117 0.018 0.000 0.984 382 I CA -0.151 61.163 61.300 0.022 0.000 1.250 382 I CB 1.473 39.486 38.000 0.021 0.000 1.389 382 I HN 0.607 nan 8.210 nan 0.000 0.488 383 G N 3.857 112.670 108.800 0.021 0.000 2.497 383 G HA2 -0.106 3.883 3.960 0.049 0.000 0.686 383 G HA3 -0.106 3.883 3.960 0.049 0.000 0.686 383 G C -1.177 173.728 174.900 0.007 0.000 1.288 383 G CA -1.038 44.068 45.100 0.011 0.000 0.899 383 G HN 0.569 nan 8.290 nan 0.000 0.608 384 D N -0.570 119.829 120.400 -0.001 0.000 2.419 384 D HA 0.262 4.931 4.640 0.049 0.000 0.236 384 D C 1.236 177.533 176.300 -0.003 0.000 1.165 384 D CA 0.143 54.139 54.000 -0.007 0.000 0.882 384 D CB 1.059 41.852 40.800 -0.012 0.000 1.201 384 D HN 0.486 nan 8.370 nan 0.000 0.443 385 V N 1.982 121.892 119.914 -0.006 0.000 2.458 385 V HA 0.026 4.175 4.120 0.049 0.000 0.287 385 V C 1.024 177.115 176.094 -0.005 0.000 1.009 385 V CA 0.175 62.472 62.300 -0.004 0.000 1.091 385 V CB 0.049 31.866 31.823 -0.009 0.000 0.960 385 V HN 0.601 nan 8.190 nan 0.000 0.476 386 S N 5.280 120.979 115.700 -0.002 0.000 2.722 386 S HA 0.470 4.969 4.470 0.049 0.000 0.292 386 S C 0.948 175.548 174.600 0.000 0.000 1.135 386 S CA -0.748 57.451 58.200 -0.001 0.000 1.003 386 S CB 1.637 64.837 63.200 0.000 0.000 1.067 386 S HN 0.622 nan 8.310 nan 0.000 0.546 387 R N -0.174 120.326 120.500 0.000 0.000 2.120 387 R HA -0.062 4.308 4.340 0.049 0.000 0.234 387 R C 2.328 178.631 176.300 0.006 0.000 1.123 387 R CA 1.137 57.239 56.100 0.002 0.000 0.975 387 R CB -0.274 30.027 30.300 0.002 0.000 0.866 387 R HN 0.680 nan 8.270 nan 0.000 0.446 388 R N 1.148 121.652 120.500 0.006 0.000 2.081 388 R HA -0.110 4.259 4.340 0.049 0.000 0.235 388 R C 1.466 177.772 176.300 0.010 0.000 1.131 388 R CA 1.961 58.066 56.100 0.008 0.000 0.960 388 R CB -0.483 29.821 30.300 0.006 0.000 0.856 388 R HN 0.288 nan 8.270 nan 0.000 0.436 389 D N -0.561 119.844 120.400 0.008 0.000 2.104 389 D HA -0.141 4.528 4.640 0.049 0.000 0.194 389 D C 1.878 178.187 176.300 0.015 0.000 0.994 389 D CA 1.670 55.676 54.000 0.010 0.000 0.830 389 D CB -0.178 40.626 40.800 0.007 0.000 0.959 389 D HN 0.109 nan 8.370 nan 0.000 0.452 390 V N 1.146 121.068 119.914 0.012 0.000 2.343 390 V HA -0.205 3.944 4.120 0.049 0.000 0.247 390 V C 2.746 178.854 176.094 0.024 0.000 1.051 390 V CA 1.010 63.319 62.300 0.015 0.000 1.036 390 V CB -0.535 31.293 31.823 0.009 0.000 0.654 390 V HN 0.045 nan 8.190 nan 0.000 0.451 391 V N 0.692 120.619 119.914 0.021 0.000 2.343 391 V HA -0.239 3.910 4.120 0.049 0.000 0.247 391 V C 2.266 178.379 176.094 0.032 0.000 1.051 391 V CA 2.097 64.412 62.300 0.025 0.000 1.036 391 V CB -0.819 31.015 31.823 0.019 0.000 0.654 391 V HN 0.601 nan 8.190 nan 0.000 0.451 392 N N 0.264 118.982 118.700 0.030 0.000 2.270 392 N HA -0.049 4.720 4.740 0.049 0.000 0.181 392 N C 1.895 177.436 175.510 0.050 0.000 1.016 392 N CA 1.410 54.481 53.050 0.034 0.000 0.870 392 N CB -0.141 38.361 38.487 0.024 0.000 0.979 392 N HN 0.506 nan 8.380 nan 0.000 0.431 393 A N 0.974 123.825 122.820 0.052 0.000 1.898 393 A HA 0.039 4.388 4.320 0.049 0.000 0.216 393 A C 2.381 180.020 177.584 0.091 0.000 1.181 393 A CA 1.722 53.805 52.037 0.076 0.000 0.620 393 A CB -1.102 17.936 19.000 0.064 0.000 0.819 393 A HN 0.321 nan 8.150 nan 0.000 0.442 394 G N 0.309 109.150 108.800 0.070 0.000 2.440 394 G HA2 -0.231 3.758 3.960 0.049 0.000 0.218 394 G HA3 -0.231 3.758 3.960 0.049 0.000 0.218 394 G C 1.502 176.448 174.900 0.076 0.000 1.154 394 G CA 1.193 46.335 45.100 0.070 0.000 0.767 394 G HN 0.487 nan 8.290 nan 0.000 0.552 395 I N 1.317 121.928 120.570 0.068 0.000 2.264 395 I HA -0.194 4.005 4.170 0.049 0.000 0.248 395 I C 3.198 179.372 176.117 0.095 0.000 1.111 395 I CA 1.019 62.360 61.300 0.069 0.000 1.382 395 I CB -0.157 37.876 38.000 0.055 0.000 1.060 395 I HN 0.262 nan 8.210 nan 0.000 0.418 396 A N 0.569 123.459 122.820 0.117 0.000 1.970 396 A HA -0.099 4.250 4.320 0.049 0.000 0.216 396 A C 2.347 180.053 177.584 0.204 0.000 1.170 396 A CA 0.689 52.834 52.037 0.179 0.000 0.645 396 A CB -0.674 18.442 19.000 0.192 0.000 0.816 396 A HN 0.422 nan 8.150 nan 0.000 0.447 397 L N -0.365 120.958 121.223 0.167 0.000 2.089 397 L HA -0.215 4.155 4.340 0.049 0.000 0.213 397 L C 0.894 177.833 176.870 0.115 0.000 1.079 397 L CA 1.184 56.118 54.840 0.157 0.000 0.758 397 L CB -0.261 41.874 42.059 0.128 0.000 0.891 397 L HN 0.485 nan 8.230 nan 0.000 0.433 398 Q N 0.969 120.829 119.800 0.100 0.000 2.314 398 Q HA 0.066 4.435 4.340 0.049 0.000 0.258 398 Q C -0.229 175.819 176.000 0.080 0.000 0.954 398 Q CA 0.169 56.017 55.803 0.074 0.000 0.890 398 Q CB 0.840 29.617 28.738 0.066 0.000 1.210 398 Q HN 0.173 nan 8.270 nan 0.000 0.410 399 E N 3.403 123.631 120.200 0.046 0.000 6.253 399 E HA -0.209 4.170 4.350 0.049 0.000 0.182 399 E C -1.516 175.061 176.600 -0.038 0.000 1.242 399 E CA -0.065 56.353 56.400 0.030 0.000 1.417 399 E CB -0.665 29.084 29.700 0.081 0.000 0.969 399 E HN 0.791 nan 8.360 nan 0.000 0.317 400 D N 1.500 121.835 120.400 -0.108 0.000 5.148 400 D HA -0.170 4.499 4.640 0.049 0.000 0.234 400 D C 1.073 177.284 176.300 -0.148 0.000 1.348 400 D CA 1.161 55.015 54.000 -0.244 0.000 1.228 400 D CB 0.037 40.466 40.800 -0.619 0.000 0.664 400 D HN 0.719 nan 8.370 nan 0.000 0.328 401 R N 0.923 121.373 120.500 -0.083 0.000 2.328 401 R HA -0.001 4.369 4.340 0.049 0.000 0.207 401 R C 1.546 177.914 176.300 0.113 0.000 1.056 401 R CA 0.372 56.491 56.100 0.032 0.000 1.016 401 R CB -0.089 30.209 30.300 -0.003 0.000 0.872 401 R HN 0.276 nan 8.270 nan 0.000 0.471 402 V N 0.963 120.841 119.914 -0.060 0.000 2.407 402 V HA -0.224 3.925 4.120 0.049 0.000 0.248 402 V C 1.455 177.884 176.094 0.559 0.000 1.055 402 V CA 1.515 63.856 62.300 0.068 0.000 1.049 402 V CB -0.608 31.106 31.823 -0.183 0.000 0.662 402 V HN 0.286 nan 8.190 nan 0.000 0.455 403 Y N 0.437 120.942 120.300 0.343 0.000 2.523 403 Y HA 0.303 4.882 4.550 0.049 0.000 0.279 403 Y C 2.114 178.185 175.900 0.284 0.000 1.139 403 Y CA -0.262 58.021 58.100 0.304 0.000 1.296 403 Y CB -1.053 37.517 38.460 0.183 0.000 1.045 403 Y HN 0.240 nan 8.280 nan 0.000 0.538 404 G N 0.727 109.801 108.800 0.456 0.000 3.180 404 G HA2 0.399 4.388 3.960 0.049 0.000 0.252 404 G HA3 0.399 4.388 3.960 0.049 0.000 0.252 404 G C -0.079 174.995 174.900 0.290 0.000 0.871 404 G CA 0.532 45.831 45.100 0.332 0.000 1.979 404 G HN 0.314 nan 8.290 nan 0.000 0.624 405 A N 0.455 123.426 122.820 0.253 0.000 2.515 405 A HA 0.820 5.169 4.320 0.049 0.000 0.296 405 A C -0.928 176.717 177.584 0.103 0.000 1.094 405 A CA -0.696 51.419 52.037 0.130 0.000 0.718 405 A CB 1.511 20.643 19.000 0.219 0.000 1.307 405 A HN 0.293 nan 8.150 nan 0.000 0.408 406 I N 1.699 122.310 120.570 0.068 0.000 2.418 406 I HA 0.353 4.552 4.170 0.049 0.000 0.287 406 I C -0.962 175.218 176.117 0.105 0.000 1.008 406 I CA -0.217 61.114 61.300 0.053 0.000 1.104 406 I CB 1.649 39.658 38.000 0.015 0.000 1.264 406 I HN 0.475 nan 8.210 nan 0.000 0.438 407 I N 6.253 126.863 120.570 0.067 0.000 2.306 407 I HA 0.435 4.634 4.170 0.049 0.000 0.288 407 I C 0.246 176.405 176.117 0.071 0.000 1.036 407 I CA -0.314 61.032 61.300 0.076 0.000 1.221 407 I CB 1.255 39.229 38.000 -0.043 0.000 1.385 407 I HN 0.575 nan 8.210 nan 0.000 0.472 408 A N 7.111 129.985 122.820 0.090 0.000 2.277 408 A HA 0.479 4.828 4.320 0.049 0.000 0.318 408 A C -0.882 176.760 177.584 0.097 0.000 1.339 408 A CA -0.369 51.713 52.037 0.075 0.000 0.875 408 A CB 0.267 19.285 19.000 0.029 0.000 1.158 408 A HN 0.593 nan 8.150 nan 0.000 0.514 409 F N 4.208 124.152 119.950 -0.010 0.000 2.404 409 F HA 0.272 4.827 4.527 0.047 0.000 0.358 409 F C 1.118 176.909 175.800 -0.015 0.000 1.120 409 F CA -0.106 57.886 58.000 -0.012 0.000 1.144 409 F CB 0.243 39.234 39.000 -0.014 0.000 1.133 409 F HN 0.824 nan 8.300 nan 0.000 0.495 410 N N 4.008 122.272 118.700 -0.728 0.000 2.710 410 N HA -0.212 4.557 4.740 0.049 0.000 0.249 410 N C -1.385 173.985 175.510 -0.234 0.000 1.059 410 N CA 0.373 53.084 53.050 -0.563 0.000 0.720 410 N CB -0.478 37.535 38.487 -0.789 0.000 0.983 410 N HN 0.405 nan 8.380 nan 0.000 0.544 411 V N 0.418 120.248 119.914 -0.140 0.000 3.001 411 V HA 0.498 4.647 4.120 0.049 0.000 0.314 411 V C -0.129 175.928 176.094 -0.062 0.000 1.099 411 V CA -0.712 61.547 62.300 -0.068 0.000 0.989 411 V CB 2.160 33.972 31.823 -0.018 0.000 1.040 411 V HN 0.148 nan 8.190 nan 0.000 0.434 412 K N 1.622 121.995 120.400 -0.046 0.000 2.177 412 K HA 0.722 5.071 4.320 0.049 0.000 0.238 412 K C -1.360 175.221 176.600 -0.031 0.000 1.015 412 K CA -0.641 55.621 56.287 -0.042 0.000 0.922 412 K CB 1.811 34.288 32.500 -0.039 0.000 1.127 412 K HN 0.430 nan 8.250 nan 0.000 0.469 413 V N 2.482 122.378 119.914 -0.030 0.000 2.417 413 V HA 0.283 4.433 4.120 0.049 0.000 0.291 413 V C 0.024 176.105 176.094 -0.021 0.000 1.024 413 V CA -0.807 61.478 62.300 -0.025 0.000 0.861 413 V CB 1.128 32.934 31.823 -0.029 0.000 0.985 413 V HN 0.571 nan 8.190 nan 0.000 0.436 414 I N 7.287 127.848 120.570 -0.016 0.000 2.556 414 I HA 0.107 4.306 4.170 0.049 0.000 0.284 414 I C -1.098 175.010 176.117 -0.014 0.000 1.114 414 I CA -1.263 60.029 61.300 -0.014 0.000 1.418 414 I CB 1.035 39.029 38.000 -0.010 0.000 1.394 414 I HN 0.470 nan 8.210 nan 0.000 0.552 415 P HA -0.318 nan 4.420 nan 0.000 0.214 415 P C 1.772 179.066 177.300 -0.011 0.000 1.164 415 P CA 1.723 64.815 63.100 -0.013 0.000 0.942 415 P CB 0.065 31.758 31.700 -0.012 0.000 0.791 416 S N -1.446 114.249 115.700 -0.008 0.000 2.428 416 S HA -0.297 4.202 4.470 0.049 0.000 0.240 416 S C 1.802 176.399 174.600 -0.006 0.000 1.036 416 S CA 1.779 59.975 58.200 -0.006 0.000 1.009 416 S CB -0.979 62.218 63.200 -0.004 0.000 0.803 416 S HN 0.168 nan 8.310 nan 0.000 0.486 417 A N 0.771 123.587 122.820 -0.008 0.000 1.903 417 A HA 0.509 4.858 4.320 0.049 0.000 0.213 417 A C 2.501 180.078 177.584 -0.012 0.000 1.185 417 A CA 1.298 53.330 52.037 -0.008 0.000 0.628 417 A CB -1.374 17.621 19.000 -0.009 0.000 0.830 417 A HN 0.769 nan 8.150 nan 0.000 0.446 418 A N -0.645 122.166 122.820 -0.015 0.000 1.865 418 A HA -0.151 4.198 4.320 0.049 0.000 0.217 418 A C 2.252 179.826 177.584 -0.016 0.000 1.191 418 A CA 2.212 54.237 52.037 -0.019 0.000 0.623 418 A CB -0.986 18.001 19.000 -0.021 0.000 0.826 418 A HN 0.457 nan 8.150 nan 0.000 0.444 419 Q N -0.943 118.850 119.800 -0.012 0.000 1.975 419 Q HA -0.205 4.164 4.340 0.049 0.000 0.205 419 Q C 2.226 178.222 176.000 -0.007 0.000 0.990 419 Q CA 1.403 57.200 55.803 -0.009 0.000 0.845 419 Q CB -0.866 27.868 28.738 -0.007 0.000 0.913 419 Q HN 0.846 nan 8.270 nan 0.000 0.420 420 E N -0.100 120.097 120.200 -0.004 0.000 2.455 420 E HA -0.162 4.217 4.350 0.049 0.000 0.202 420 E C 1.594 178.194 176.600 -0.001 0.000 1.045 420 E CA 0.723 57.122 56.400 -0.001 0.000 0.872 420 E CB -0.073 29.627 29.700 0.001 0.000 0.792 420 E HN 0.298 nan 8.360 nan 0.000 0.542 421 L N 0.479 121.698 121.223 -0.006 0.000 2.408 421 L HA 0.026 4.395 4.340 0.049 0.000 0.215 421 L C 1.881 178.744 176.870 -0.011 0.000 1.081 421 L CA 0.664 55.499 54.840 -0.010 0.000 0.840 421 L CB -0.044 42.004 42.059 -0.019 0.000 1.002 421 L HN -0.189 nan 8.230 nan 0.000 0.468 422 K N 0.772 121.166 120.400 -0.011 0.000 2.184 422 K HA -0.214 4.135 4.320 0.049 0.000 0.210 422 K C 0.236 176.834 176.600 -0.004 0.000 1.048 422 K CA 1.023 57.304 56.287 -0.010 0.000 0.931 422 K CB -1.269 31.226 32.500 -0.007 0.000 0.718 422 K HN 0.598 nan 8.250 nan 0.000 0.465 423 N N 1.734 120.435 118.700 0.002 0.000 2.440 423 N HA 0.001 4.770 4.740 0.049 0.000 0.265 423 N C 0.041 175.559 175.510 0.014 0.000 1.239 423 N CA -0.416 52.640 53.050 0.009 0.000 0.909 423 N CB 0.519 39.014 38.487 0.013 0.000 1.066 423 N HN 0.023 nan 8.380 nan 0.000 0.474 424 S N 1.902 117.613 115.700 0.019 0.000 2.775 424 S HA -0.088 4.411 4.470 0.049 0.000 0.250 424 S C 0.761 175.390 174.600 0.049 0.000 1.391 424 S CA -0.037 58.181 58.200 0.030 0.000 0.972 424 S CB 0.186 63.407 63.200 0.035 0.000 0.963 424 S HN 0.759 nan 8.310 nan 0.000 0.570 425 D N -1.245 119.201 120.400 0.077 0.000 2.837 425 D HA -0.164 4.506 4.640 0.049 0.000 0.195 425 D C -0.406 175.975 176.300 0.136 0.000 1.033 425 D CA 1.316 55.383 54.000 0.111 0.000 1.021 425 D CB -1.126 39.724 40.800 0.083 0.000 1.101 425 D HN 0.437 nan 8.370 nan 0.000 0.431 426 I N 0.559 121.178 120.570 0.083 0.000 2.390 426 I HA 0.185 4.384 4.170 0.049 0.000 0.283 426 I C 0.295 176.389 176.117 -0.038 0.000 1.016 426 I CA -0.923 60.410 61.300 0.055 0.000 1.151 426 I CB 1.469 39.486 38.000 0.028 0.000 1.293 426 I HN -0.252 nan 8.210 nan 0.000 0.458 427 K N 6.143 126.471 120.400 -0.120 0.000 2.205 427 K HA 0.517 4.866 4.320 0.049 0.000 0.279 427 K C -1.254 175.047 176.600 -0.499 0.000 1.027 427 K CA -0.334 55.682 56.287 -0.451 0.000 0.932 427 K CB 1.090 32.983 32.500 -1.012 0.000 1.032 427 K HN 0.435 nan 8.250 nan 0.000 0.466 428 L N 5.147 126.023 121.223 -0.578 0.000 2.341 428 L HA 0.595 4.964 4.340 0.049 0.000 0.278 428 L C -1.723 174.793 176.870 -0.591 0.000 1.005 428 L CA -0.193 54.403 54.840 -0.408 0.000 0.818 428 L CB 0.774 42.704 42.059 -0.215 0.000 1.259 428 L HN 0.563 nan 8.230 nan 0.000 0.418 429 F N 3.568 123.448 119.950 -0.117 0.000 2.477 429 F HA 0.606 5.163 4.527 0.049 0.000 0.335 429 F C 0.047 175.815 175.800 -0.055 0.000 1.130 429 F CA -0.393 57.557 58.000 -0.083 0.000 0.948 429 F CB 1.748 40.710 39.000 -0.063 0.000 1.154 429 F HN 0.411 nan 8.300 nan 0.000 0.439 430 Q N 1.988 121.842 119.800 0.090 0.000 2.375 430 Q HA 0.828 5.197 4.340 0.049 0.000 0.271 430 Q C -0.379 175.627 176.000 0.009 0.000 1.074 430 Q CA -1.158 54.661 55.803 0.027 0.000 0.808 430 Q CB 3.215 31.939 28.738 -0.024 0.000 1.327 430 Q HN 0.940 nan 8.270 nan 0.000 0.441 431 G N 1.150 109.926 108.800 -0.040 0.000 2.338 431 G HA2 0.131 4.120 3.960 0.049 0.000 0.295 431 G HA3 0.131 4.120 3.960 0.049 0.000 0.295 431 G C -0.944 173.818 174.900 -0.230 0.000 1.461 431 G CA -0.668 44.383 45.100 -0.081 0.000 0.817 431 G HN 0.642 nan 8.290 nan 0.000 0.556 432 N N -1.249 117.297 118.700 -0.256 0.000 2.204 432 N HA 0.208 4.977 4.740 0.049 0.000 0.219 432 N C -0.372 175.113 175.510 -0.042 0.000 1.151 432 N CA -0.162 52.584 53.050 -0.505 0.000 0.867 432 N CB 1.316 39.582 38.487 -0.368 0.000 1.043 432 N HN 0.398 nan 8.380 nan 0.000 0.516 433 V N 1.921 121.909 119.914 0.124 0.000 2.380 433 V HA 0.310 4.459 4.120 0.049 0.000 0.286 433 V C 1.546 177.754 176.094 0.190 0.000 1.015 433 V CA -0.806 61.607 62.300 0.188 0.000 0.834 433 V CB 1.190 33.004 31.823 -0.016 0.000 1.009 433 V HN 0.041 nan 8.190 nan 0.000 0.428 434 I N 3.416 124.158 120.570 0.286 0.000 2.118 434 I HA -0.298 3.901 4.170 0.049 0.000 0.241 434 I C 2.442 178.611 176.117 0.086 0.000 1.070 434 I CA 2.389 63.765 61.300 0.127 0.000 1.327 434 I CB -0.370 37.610 38.000 -0.034 0.000 1.034 434 I HN 0.902 nan 8.210 nan 0.000 0.405 435 Y N 1.554 121.899 120.300 0.073 0.000 2.333 435 Y HA -0.136 4.442 4.550 0.048 0.000 0.290 435 Y C 2.455 178.396 175.900 0.067 0.000 1.144 435 Y CA 0.900 59.035 58.100 0.059 0.000 1.228 435 Y CB -0.800 37.700 38.460 0.066 0.000 0.985 435 Y HN -0.041 nan 8.280 nan 0.000 0.542 436 R N 0.596 120.727 120.500 -0.615 0.000 2.090 436 R HA 0.001 4.370 4.340 0.049 0.000 0.228 436 R C 2.194 178.416 176.300 -0.130 0.000 1.110 436 R CA 1.496 57.332 56.100 -0.441 0.000 0.973 436 R CB -0.331 29.716 30.300 -0.422 0.000 0.869 436 R HN 0.421 nan 8.270 nan 0.000 0.440 437 L N 0.044 121.225 121.223 -0.070 0.000 2.093 437 L HA -0.148 4.222 4.340 0.049 0.000 0.208 437 L C 2.353 179.157 176.870 -0.109 0.000 1.085 437 L CA 0.869 55.686 54.840 -0.039 0.000 0.755 437 L CB -0.298 41.772 42.059 0.018 0.000 0.904 437 L HN 0.195 nan 8.230 nan 0.000 0.435 438 M N -0.671 118.904 119.600 -0.043 0.000 2.200 438 M HA -0.111 4.398 4.480 0.049 0.000 0.265 438 M C 2.050 178.376 176.300 0.043 0.000 1.066 438 M CA 1.459 56.758 55.300 -0.002 0.000 1.127 438 M CB -0.910 31.715 32.600 0.042 0.000 1.379 438 M HN 0.264 nan 8.290 nan 0.000 0.420 439 E N 0.357 120.589 120.200 0.052 0.000 2.150 439 E HA -0.166 4.213 4.350 0.049 0.000 0.193 439 E C 1.877 178.514 176.600 0.061 0.000 0.985 439 E CA 0.919 57.366 56.400 0.078 0.000 0.814 439 E CB -0.064 29.698 29.700 0.104 0.000 0.752 439 E HN 0.612 nan 8.360 nan 0.000 0.466 440 E N 0.150 120.366 120.200 0.027 0.000 2.072 440 E HA -0.183 4.196 4.350 0.049 0.000 0.190 440 E C 1.834 178.421 176.600 -0.021 0.000 0.982 440 E CA 0.787 57.238 56.400 0.084 0.000 0.803 440 E CB -0.135 29.668 29.700 0.172 0.000 0.755 440 E HN 0.266 nan 8.360 nan 0.000 0.453 441 Y N 2.062 122.035 120.300 -0.545 0.000 2.200 441 Y HA -0.158 4.422 4.550 0.049 0.000 0.290 441 Y C 1.834 177.752 175.900 0.029 0.000 1.137 441 Y CA 1.566 59.292 58.100 -0.624 0.000 1.163 441 Y CB 0.107 38.179 38.460 -0.647 0.000 0.988 441 Y HN -0.039 nan 8.280 nan 0.000 0.518 442 E N 0.068 120.270 120.200 0.003 0.000 2.106 442 E HA -0.215 4.164 4.350 0.049 0.000 0.192 442 E C 2.002 178.608 176.600 0.010 0.000 0.984 442 E CA 1.269 57.664 56.400 -0.009 0.000 0.806 442 E CB -0.187 29.557 29.700 0.073 0.000 0.750 442 E HN 0.784 nan 8.360 nan 0.000 0.458 443 E N 0.140 120.386 120.200 0.076 0.000 2.268 443 E HA -0.204 4.175 4.350 0.049 0.000 0.195 443 E C 1.786 178.472 176.600 0.143 0.000 0.995 443 E CA 0.648 57.106 56.400 0.098 0.000 0.836 443 E CB -0.303 29.471 29.700 0.124 0.000 0.763 443 E HN 0.334 nan 8.360 nan 0.000 0.491 444 W N 1.741 123.026 121.300 -0.025 0.000 2.441 444 W HA -0.022 4.668 4.660 0.049 0.000 0.302 444 W C 1.998 178.460 176.519 -0.095 0.000 1.191 444 W CA 1.025 58.375 57.345 0.008 0.000 1.327 444 W CB -0.267 29.304 29.460 0.184 0.000 1.128 444 W HN -0.132 nan 8.180 nan 0.000 0.522 445 V N 1.761 121.578 119.914 -0.161 0.000 2.343 445 V HA -0.309 3.840 4.120 0.049 0.000 0.247 445 V C 2.445 178.383 176.094 -0.260 0.000 1.051 445 V CA 2.258 64.349 62.300 -0.348 0.000 1.036 445 V CB -0.988 30.658 31.823 -0.295 0.000 0.654 445 V HN 0.148 nan 8.190 nan 0.000 0.451 446 R N 0.274 120.685 120.500 -0.148 0.000 2.097 446 R HA -0.163 4.206 4.340 0.049 0.000 0.236 446 R C 2.539 178.756 176.300 -0.139 0.000 1.135 446 R CA 1.805 57.838 56.100 -0.111 0.000 0.934 446 R CB -1.094 29.174 30.300 -0.054 0.000 0.846 446 R HN 0.588 nan 8.270 nan 0.000 0.431 447 G N 1.694 110.409 108.800 -0.141 0.000 2.459 447 G HA2 -0.241 3.748 3.960 0.049 0.000 0.217 447 G HA3 -0.241 3.748 3.960 0.049 0.000 0.217 447 G C 1.398 176.168 174.900 -0.217 0.000 1.183 447 G CA 0.728 45.741 45.100 -0.146 0.000 0.776 447 G HN 0.088 nan 8.290 nan 0.000 0.552 448 I N 1.273 121.620 120.570 -0.372 0.000 2.194 448 I HA -0.171 4.028 4.170 0.049 0.000 0.246 448 I C 2.618 178.579 176.117 -0.259 0.000 1.093 448 I CA 1.369 62.430 61.300 -0.399 0.000 1.355 448 I CB -1.279 36.328 38.000 -0.655 0.000 1.046 448 I HN 0.374 nan 8.210 nan 0.000 0.413 449 E N 0.514 120.571 120.200 -0.239 0.000 2.077 449 E HA -0.225 4.154 4.350 0.049 0.000 0.193 449 E C 2.095 178.610 176.600 -0.141 0.000 0.989 449 E CA 1.179 57.471 56.400 -0.180 0.000 0.800 449 E CB -0.078 29.523 29.700 -0.166 0.000 0.746 449 E HN 0.564 nan 8.360 nan 0.000 0.452 450 E N 0.783 120.909 120.200 -0.124 0.000 2.051 450 E HA -0.197 4.182 4.350 0.049 0.000 0.192 450 E C 2.038 178.597 176.600 -0.068 0.000 0.991 450 E CA 0.913 57.259 56.400 -0.089 0.000 0.799 450 E CB -0.039 29.618 29.700 -0.072 0.000 0.748 450 E HN 0.302 nan 8.360 nan 0.000 0.449 451 E N 0.419 120.571 120.200 -0.080 0.000 2.118 451 E HA -0.217 4.162 4.350 0.049 0.000 0.195 451 E C 2.224 178.805 176.600 -0.031 0.000 0.992 451 E CA 1.718 58.086 56.400 -0.055 0.000 0.804 451 E CB -0.041 29.613 29.700 -0.076 0.000 0.741 451 E HN 0.098 nan 8.360 nan 0.000 0.458 452 K N 1.233 121.603 120.400 -0.050 0.000 2.062 452 K HA -0.096 4.254 4.320 0.049 0.000 0.205 452 K C 1.917 178.550 176.600 0.054 0.000 1.051 452 K CA 1.400 57.684 56.287 -0.006 0.000 0.941 452 K CB -0.518 31.955 32.500 -0.045 0.000 0.719 452 K HN 0.110 nan 8.250 nan 0.000 0.440 453 K N 0.775 121.165 120.400 -0.016 0.000 2.148 453 K HA -0.135 4.214 4.320 0.049 0.000 0.204 453 K C 2.525 179.189 176.600 0.108 0.000 1.050 453 K CA 1.590 57.866 56.287 -0.019 0.000 0.942 453 K CB -0.168 32.249 32.500 -0.137 0.000 0.724 453 K HN 0.271 nan 8.250 nan 0.000 0.446 454 K N 0.736 121.171 120.400 0.059 0.000 2.002 454 K HA -0.119 4.231 4.320 0.049 0.000 0.209 454 K C 2.112 178.770 176.600 0.096 0.000 1.048 454 K CA 1.968 58.293 56.287 0.064 0.000 0.930 454 K CB -0.399 32.116 32.500 0.025 0.000 0.714 454 K HN 0.268 nan 8.250 nan 0.000 0.438 455 K N -0.351 120.102 120.400 0.089 0.000 2.519 455 K HA -0.071 4.278 4.320 0.049 0.000 0.196 455 K C 1.709 178.378 176.600 0.115 0.000 1.041 455 K CA 1.354 57.687 56.287 0.077 0.000 0.954 455 K CB -0.778 31.756 32.500 0.056 0.000 0.774 455 K HN 0.744 nan 8.250 nan 0.000 0.480 456 W N 0.054 121.333 121.300 -0.035 0.000 2.476 456 W HA -0.080 4.609 4.660 0.049 0.000 0.281 456 W C 1.317 177.806 176.519 -0.050 0.000 1.230 456 W CA 0.817 58.138 57.345 -0.040 0.000 1.287 456 W CB -0.106 29.328 29.460 -0.044 0.000 1.108 456 W HN 0.233 nan 8.180 nan 0.000 0.567 457 M N 1.056 120.763 119.600 0.179 0.000 2.156 457 M HA -0.096 4.413 4.480 0.049 0.000 0.264 457 M C 1.699 177.988 176.300 -0.018 0.000 1.067 457 M CA 1.297 56.641 55.300 0.074 0.000 1.131 457 M CB -1.695 30.970 32.600 0.109 0.000 1.368 457 M HN 0.017 nan 8.290 nan 0.000 0.416 458 E N 0.539 120.740 120.200 0.002 0.000 2.333 458 E HA -0.124 4.255 4.350 0.049 0.000 0.200 458 E C 1.217 177.799 176.600 -0.030 0.000 1.010 458 E CA 1.141 57.540 56.400 -0.002 0.000 0.841 458 E CB -0.169 29.535 29.700 0.006 0.000 0.757 458 E HN 0.497 nan 8.360 nan 0.000 0.508 459 A N 0.550 123.305 122.820 -0.108 0.000 2.500 459 A HA 0.263 4.613 4.320 0.049 0.000 0.267 459 A C 0.451 177.884 177.584 -0.251 0.000 1.290 459 A CA -0.280 51.677 52.037 -0.134 0.000 0.928 459 A CB 0.330 19.230 19.000 -0.168 0.000 1.066 459 A HN 0.015 nan 8.150 nan 0.000 0.516 460 I N 0.840 121.239 120.570 -0.285 0.000 2.406 460 I HA 0.342 4.541 4.170 0.049 0.000 0.290 460 I C -0.624 175.377 176.117 -0.194 0.000 0.999 460 I CA -0.774 60.230 61.300 -0.495 0.000 1.124 460 I CB 2.013 39.735 38.000 -0.465 0.000 1.289 460 I HN 0.076 nan 8.210 nan 0.000 0.441 461 I N 6.918 127.388 120.570 -0.166 0.000 2.533 461 I HA 0.084 4.283 4.170 0.049 0.000 0.284 461 I C 0.334 176.355 176.117 -0.160 0.000 1.109 461 I CA -0.179 60.967 61.300 -0.257 0.000 1.412 461 I CB 0.202 37.997 38.000 -0.343 0.000 1.396 461 I HN 0.425 nan 8.210 nan 0.000 0.543 462 K N 7.086 127.444 120.400 -0.068 0.000 2.177 462 K HA 0.575 4.925 4.320 0.049 0.000 0.238 462 K C -2.461 174.171 176.600 0.052 0.000 1.015 462 K CA -2.043 54.280 56.287 0.059 0.000 0.922 462 K CB 0.244 32.841 32.500 0.161 0.000 1.127 462 K HN 0.162 nan 8.250 nan 0.000 0.469 463 P HA 0.400 nan 4.420 nan 0.000 0.282 463 P C -1.427 175.946 177.300 0.122 0.000 1.249 463 P CA -0.410 62.739 63.100 0.082 0.000 0.806 463 P CB 1.169 32.915 31.700 0.077 0.000 0.984 464 A N 1.197 124.094 122.820 0.127 0.000 2.605 464 A HA 0.680 5.029 4.320 0.049 0.000 0.294 464 A C -1.212 176.433 177.584 0.103 0.000 1.062 464 A CA -0.433 51.679 52.037 0.125 0.000 0.682 464 A CB 1.237 20.340 19.000 0.172 0.000 1.278 464 A HN 0.362 nan 8.150 nan 0.000 0.410 465 S N 0.197 115.929 115.700 0.053 0.000 2.541 465 S HA 0.846 5.345 4.470 0.049 0.000 0.280 465 S C -0.894 173.666 174.600 -0.066 0.000 1.112 465 S CA -0.388 57.794 58.200 -0.030 0.000 0.925 465 S CB 0.766 63.964 63.200 -0.004 0.000 1.067 465 S HN 1.525 nan 8.310 nan 0.000 0.479 466 I N 1.033 121.522 120.570 -0.136 0.000 2.865 466 I HA 0.704 4.904 4.170 0.049 0.000 0.302 466 I C -0.930 175.115 176.117 -0.121 0.000 1.140 466 I CA -1.091 60.154 61.300 -0.092 0.000 1.021 466 I CB 2.213 40.180 38.000 -0.055 0.000 1.233 466 I HN 0.603 nan 8.210 nan 0.000 0.427 467 R N 4.639 125.099 120.500 -0.065 0.000 2.599 467 R HA 0.637 5.006 4.340 0.049 0.000 0.295 467 R C -1.589 174.708 176.300 -0.006 0.000 0.963 467 R CA -0.819 55.251 56.100 -0.050 0.000 0.883 467 R CB 1.988 32.269 30.300 -0.032 0.000 1.171 467 R HN 0.798 nan 8.270 nan 0.000 0.450 468 L N 6.273 127.503 121.223 0.012 0.000 2.295 468 L HA 0.321 4.690 4.340 0.049 0.000 0.288 468 L C 0.327 177.246 176.870 0.083 0.000 1.079 468 L CA -0.354 54.531 54.840 0.075 0.000 0.830 468 L CB 0.550 42.671 42.059 0.104 0.000 1.200 468 L HN 0.510 nan 8.230 nan 0.000 0.438 469 I N 5.401 126.015 120.570 0.073 0.000 2.742 469 I HA 0.008 4.207 4.170 0.049 0.000 0.287 469 I C -1.839 174.306 176.117 0.048 0.000 1.186 469 I CA -1.334 59.997 61.300 0.051 0.000 1.417 469 I CB 0.154 38.182 38.000 0.046 0.000 1.377 469 I HN 0.304 nan 8.210 nan 0.000 0.556 470 P HA 0.094 nan 4.420 nan 0.000 0.271 470 P C -0.255 177.031 177.300 -0.023 0.000 1.218 470 P CA -0.164 62.948 63.100 0.020 0.000 0.780 470 P CB 0.449 32.162 31.700 0.021 0.000 0.901 471 K N -0.036 120.328 120.400 -0.059 0.000 3.512 471 K HA -0.154 4.195 4.320 0.049 0.000 0.309 471 K C -0.224 176.270 176.600 -0.177 0.000 1.350 471 K CA 0.551 56.775 56.287 -0.105 0.000 0.960 471 K CB -2.019 30.439 32.500 -0.070 0.000 1.290 471 K HN 0.366 nan 8.250 nan 0.000 0.454 472 L N 1.918 123.030 121.223 -0.185 0.000 3.030 472 L HA 0.252 4.622 4.340 0.049 0.000 0.252 472 L C -0.406 176.225 176.870 -0.400 0.000 1.316 472 L CA -0.583 54.088 54.840 -0.281 0.000 0.975 472 L CB 1.280 43.306 42.059 -0.056 0.000 1.357 472 L HN -0.114 nan 8.230 nan 0.000 0.534 473 V N 0.424 120.019 119.914 -0.532 0.000 2.350 473 V HA 0.200 4.349 4.120 0.049 0.000 0.276 473 V C 0.525 176.286 176.094 -0.555 0.000 1.028 473 V CA -0.025 61.922 62.300 -0.588 0.000 0.860 473 V CB 1.290 32.686 31.823 -0.711 0.000 0.990 473 V HN 0.352 nan 8.190 nan 0.000 0.453 474 F N 2.975 122.817 119.950 -0.180 0.000 2.582 474 F HA 0.358 4.914 4.527 0.049 0.000 0.290 474 F C 1.259 177.008 175.800 -0.084 0.000 1.115 474 F CA 0.161 58.100 58.000 -0.101 0.000 1.445 474 F CB 0.407 39.371 39.000 -0.059 0.000 1.126 474 F HN 0.317 nan 8.300 nan 0.000 0.574 475 R N 0.386 120.925 120.500 0.065 0.000 2.522 475 R HA 0.114 4.483 4.340 0.049 0.000 0.273 475 R C 0.380 176.708 176.300 0.048 0.000 1.133 475 R CA -0.233 55.897 56.100 0.051 0.000 0.969 475 R CB 1.422 31.774 30.300 0.088 0.000 1.235 475 R HN 0.098 nan 8.270 nan 0.000 0.433 476 Q N 1.735 121.557 119.800 0.036 0.000 1.946 476 Q HA 0.016 4.385 4.340 0.049 0.000 0.199 476 Q C 0.345 176.430 176.000 0.142 0.000 0.979 476 Q CA 1.408 57.275 55.803 0.107 0.000 0.834 476 Q CB 0.082 28.854 28.738 0.056 0.000 0.899 476 Q HN 0.493 nan 8.270 nan 0.000 0.431 477 S N -0.924 114.823 115.700 0.078 0.000 2.719 477 S HA 0.388 4.887 4.470 0.049 0.000 0.285 477 S C -0.308 174.321 174.600 0.048 0.000 1.137 477 S CA -0.006 58.228 58.200 0.056 0.000 1.012 477 S CB 1.223 64.444 63.200 0.036 0.000 1.134 477 S HN 0.405 nan 8.310 nan 0.000 0.544 478 K N -0.079 120.340 120.400 0.032 0.000 1.987 478 K HA -0.153 4.196 4.320 0.049 0.000 0.206 478 K C -2.838 173.783 176.600 0.034 0.000 1.587 478 K CA 1.155 57.458 56.287 0.026 0.000 0.589 478 K CB -2.919 29.594 32.500 0.023 0.000 0.682 478 K HN 0.834 nan 8.250 nan 0.000 0.876 479 P HA 0.282 nan 4.420 nan 0.000 0.260 479 P C -0.957 176.386 177.300 0.071 0.000 1.185 479 P CA 0.856 63.980 63.100 0.041 0.000 0.763 479 P CB 0.312 32.032 31.700 0.032 0.000 0.776 480 A N 4.916 127.789 122.820 0.088 0.000 2.363 480 A HA 0.555 4.904 4.320 0.049 0.000 0.270 480 A C -0.043 177.658 177.584 0.195 0.000 1.121 480 A CA -0.288 51.854 52.037 0.174 0.000 0.800 480 A CB -0.106 18.982 19.000 0.146 0.000 1.052 480 A HN 0.508 nan 8.150 nan 0.000 0.493 481 I N 1.693 122.408 120.570 0.242 0.000 2.534 481 I HA 0.641 4.840 4.170 0.049 0.000 0.288 481 I C 0.358 176.636 176.117 0.269 0.000 1.077 481 I CA -0.290 61.137 61.300 0.212 0.000 1.051 481 I CB 2.466 40.555 38.000 0.148 0.000 1.234 481 I HN 0.813 nan 8.210 nan 0.000 0.425 482 G N 3.050 112.030 108.800 0.299 0.000 2.646 482 G HA2 0.566 4.555 3.960 0.049 0.000 0.291 482 G HA3 0.566 4.555 3.960 0.049 0.000 0.291 482 G C -0.883 174.179 174.900 0.270 0.000 1.445 482 G CA -0.715 44.557 45.100 0.286 0.000 0.814 482 G HN 0.755 nan 8.290 nan 0.000 0.495 483 G N -0.933 108.017 108.800 0.250 0.000 2.365 483 G HA2 0.523 4.512 3.960 0.049 0.000 0.249 483 G HA3 0.523 4.512 3.960 0.049 0.000 0.249 483 G C -0.446 174.531 174.900 0.128 0.000 1.288 483 G CA 0.086 45.299 45.100 0.188 0.000 0.887 483 G HN 0.883 nan 8.290 nan 0.000 0.524 484 V N 1.988 121.955 119.914 0.088 0.000 2.876 484 V HA 0.518 4.667 4.120 0.049 0.000 0.312 484 V C -0.353 175.761 176.094 0.033 0.000 1.085 484 V CA -0.876 61.459 62.300 0.057 0.000 0.945 484 V CB 2.249 34.100 31.823 0.046 0.000 1.017 484 V HN 0.868 nan 8.190 nan 0.000 0.428 485 E N 2.172 122.383 120.200 0.018 0.000 2.216 485 E HA 0.482 4.861 4.350 0.049 0.000 0.260 485 E C -1.482 175.116 176.600 -0.003 0.000 0.880 485 E CA -0.562 55.844 56.400 0.009 0.000 0.765 485 E CB 2.077 31.783 29.700 0.010 0.000 1.174 485 E HN 0.478 nan 8.360 nan 0.000 0.417 486 V N 7.152 127.064 119.914 -0.003 0.000 2.403 486 V HA -0.019 4.130 4.120 0.049 0.000 0.265 486 V C 1.592 177.684 176.094 -0.004 0.000 1.034 486 V CA 0.341 62.638 62.300 -0.006 0.000 1.036 486 V CB 0.216 32.037 31.823 -0.002 0.000 1.032 486 V HN 0.864 nan 8.190 nan 0.000 0.478 487 L N 3.932 125.147 121.223 -0.013 0.000 1.994 487 L HA 0.001 4.370 4.340 0.049 0.000 0.208 487 L C 1.094 177.971 176.870 0.012 0.000 1.071 487 L CA 1.631 56.468 54.840 -0.006 0.000 0.745 487 L CB -0.230 41.816 42.059 -0.023 0.000 0.892 487 L HN 0.879 nan 8.230 nan 0.000 0.431 488 T N -3.296 111.271 114.554 0.020 0.000 2.942 488 T HA 0.625 5.004 4.350 0.049 0.000 0.327 488 T C -0.234 174.494 174.700 0.047 0.000 1.360 488 T CA -0.280 61.842 62.100 0.036 0.000 1.055 488 T CB 2.146 71.043 68.868 0.047 0.000 1.261 488 T HN 0.512 nan 8.240 nan 0.000 0.485 489 G N 0.318 109.147 108.800 0.048 0.000 2.482 489 G HA2 0.165 4.155 3.960 0.049 0.000 0.214 489 G HA3 0.165 4.155 3.960 0.049 0.000 0.214 489 G C -1.120 173.809 174.900 0.049 0.000 1.271 489 G CA -0.344 44.792 45.100 0.061 0.000 0.944 489 G HN 1.754 nan 8.290 nan 0.000 0.568 490 V N 0.636 120.588 119.914 0.064 0.000 2.516 490 V HA 0.455 4.605 4.120 0.049 0.000 0.271 490 V C 0.275 176.370 176.094 0.002 0.000 0.992 490 V CA -0.225 62.089 62.300 0.023 0.000 0.857 490 V CB 1.006 32.837 31.823 0.013 0.000 1.047 490 V HN 0.979 nan 8.190 nan 0.000 0.455 491 I N 4.203 124.764 120.570 -0.016 0.000 2.754 491 I HA 0.333 4.532 4.170 0.049 0.000 0.285 491 I C 0.440 176.379 176.117 -0.296 0.000 1.166 491 I CA 0.820 62.084 61.300 -0.060 0.000 1.417 491 I CB 0.323 38.319 38.000 -0.008 0.000 1.382 491 I HN 0.575 nan 8.210 nan 0.000 0.588 492 R N 4.394 124.500 120.500 -0.657 0.000 2.837 492 R HA 0.283 4.652 4.340 0.049 0.000 0.271 492 R C -1.035 175.023 176.300 -0.403 0.000 0.993 492 R CA -0.957 54.734 56.100 -0.681 0.000 0.931 492 R CB 1.535 31.169 30.300 -1.110 0.000 1.206 492 R HN 0.673 nan 8.270 nan 0.000 0.474 493 Q N 0.803 120.466 119.800 -0.228 0.000 2.257 493 Q HA 0.117 4.487 4.340 0.049 0.000 0.273 493 Q C 0.295 176.271 176.000 -0.039 0.000 1.153 493 Q CA 1.472 57.216 55.803 -0.098 0.000 0.922 493 Q CB 0.202 28.897 28.738 -0.072 0.000 1.242 493 Q HN 0.925 nan 8.270 nan 0.000 0.409 494 G N 3.459 112.277 108.800 0.030 0.000 2.231 494 G HA2 -0.261 3.729 3.960 0.049 0.000 0.206 494 G HA3 -0.261 3.729 3.960 0.049 0.000 0.206 494 G C -0.286 174.746 174.900 0.220 0.000 0.996 494 G CA -0.499 44.661 45.100 0.099 0.000 0.645 494 G HN 0.673 nan 8.290 nan 0.000 0.498 495 Y N 1.949 122.251 120.300 0.004 0.000 2.526 495 Y HA 0.293 4.872 4.550 0.049 0.000 0.330 495 Y C -1.647 174.255 175.900 0.003 0.000 1.156 495 Y CA -1.641 56.464 58.100 0.008 0.000 1.419 495 Y CB 0.772 39.239 38.460 0.011 0.000 1.250 495 Y HN 0.077 nan 8.280 nan 0.000 0.540 496 P HA 0.157 nan 4.420 nan 0.000 0.274 496 P C -1.059 176.262 177.300 0.035 0.000 1.231 496 P CA 0.056 63.173 63.100 0.029 0.000 0.790 496 P CB 0.750 32.437 31.700 -0.022 0.000 0.951 497 L N 2.586 123.825 121.223 0.026 0.000 2.401 497 L HA 0.656 5.025 4.340 0.049 0.000 0.266 497 L C 0.090 176.972 176.870 0.020 0.000 0.991 497 L CA -0.715 54.142 54.840 0.028 0.000 0.818 497 L CB 1.673 43.741 42.059 0.014 0.000 1.321 497 L HN 0.379 nan 8.230 nan 0.000 0.413 498 M N -0.041 119.588 119.600 0.049 0.000 2.631 498 M HA 0.496 5.005 4.480 0.049 0.000 0.288 498 M C -1.011 175.353 176.300 0.108 0.000 1.260 498 M CA -0.694 54.638 55.300 0.053 0.000 0.842 498 M CB 2.067 34.688 32.600 0.035 0.000 1.743 498 M HN 0.487 nan 8.290 nan 0.000 0.461 499 N N 0.112 118.863 118.700 0.084 0.000 2.322 499 N HA 0.024 4.794 4.740 0.049 0.000 0.270 499 N C -0.192 175.428 175.510 0.183 0.000 1.286 499 N CA -0.092 53.028 53.050 0.116 0.000 0.948 499 N CB 0.796 39.322 38.487 0.065 0.000 1.164 499 N HN 0.944 nan 8.380 nan 0.000 0.551 500 D N -0.823 119.687 120.400 0.184 0.000 2.371 500 D HA -0.045 4.624 4.640 0.049 0.000 0.221 500 D C -0.393 175.912 176.300 0.009 0.000 0.986 500 D CA 0.934 55.023 54.000 0.148 0.000 0.899 500 D CB 0.072 40.963 40.800 0.151 0.000 0.902 500 D HN 0.352 nan 8.370 nan 0.000 0.530 501 D N -1.156 119.254 120.400 0.016 0.000 2.538 501 D HA 0.239 4.908 4.640 0.049 0.000 0.231 501 D C 1.356 177.640 176.300 -0.026 0.000 1.229 501 D CA 0.368 54.359 54.000 -0.014 0.000 0.828 501 D CB 0.494 41.294 40.800 -0.000 0.000 1.035 501 D HN 0.186 nan 8.370 nan 0.000 0.495 502 G N 1.313 110.094 108.800 -0.031 0.000 2.168 502 G HA2 -0.332 3.657 3.960 0.049 0.000 0.263 502 G HA3 -0.332 3.657 3.960 0.049 0.000 0.263 502 G C 0.090 174.978 174.900 -0.020 0.000 0.977 502 G CA 0.021 45.097 45.100 -0.040 0.000 0.659 502 G HN 0.396 nan 8.290 nan 0.000 0.533 503 E N 1.084 121.282 120.200 -0.003 0.000 2.290 503 E HA 0.392 4.772 4.350 0.049 0.000 0.277 503 E C 0.216 176.816 176.600 -0.000 0.000 1.035 503 E CA -0.031 56.368 56.400 -0.002 0.000 0.873 503 E CB 0.641 30.344 29.700 0.005 0.000 1.029 503 E HN 0.112 nan 8.360 nan 0.000 0.419 504 T N 2.792 117.340 114.554 -0.009 0.000 2.769 504 T HA 0.029 4.408 4.350 0.049 0.000 0.293 504 T C 1.091 175.782 174.700 -0.015 0.000 0.931 504 T CA -0.257 61.836 62.100 -0.011 0.000 1.139 504 T CB 0.691 69.550 68.868 -0.016 0.000 0.881 504 T HN 0.238 nan 8.240 nan 0.000 0.532 505 V N 2.998 122.901 119.914 -0.018 0.000 2.685 505 V HA 0.406 4.555 4.120 0.049 0.000 0.244 505 V C 1.375 177.445 176.094 -0.040 0.000 1.054 505 V CA 1.367 63.644 62.300 -0.038 0.000 1.076 505 V CB -0.330 31.459 31.823 -0.056 0.000 0.725 505 V HN 1.098 nan 8.190 nan 0.000 0.467 506 G N -1.046 107.739 108.800 -0.025 0.000 2.333 506 G HA2 0.341 4.331 3.960 0.049 0.000 0.288 506 G HA3 0.341 4.331 3.960 0.049 0.000 0.288 506 G C -1.123 173.776 174.900 -0.000 0.000 1.286 506 G CA -0.078 45.012 45.100 -0.017 0.000 0.865 506 G HN -0.067 nan 8.290 nan 0.000 0.506 507 T N 0.042 114.600 114.554 0.008 0.000 2.863 507 T HA 0.550 4.929 4.350 0.049 0.000 0.285 507 T C 0.030 174.746 174.700 0.028 0.000 1.009 507 T CA -0.380 61.736 62.100 0.028 0.000 0.989 507 T CB 1.925 70.811 68.868 0.029 0.000 1.004 507 T HN 0.706 nan 8.240 nan 0.000 0.455 508 V N 3.310 123.251 119.914 0.045 0.000 2.425 508 V HA 0.063 4.213 4.120 0.049 0.000 0.276 508 V C 1.515 177.618 176.094 0.015 0.000 1.017 508 V CA 0.448 62.764 62.300 0.026 0.000 1.062 508 V CB 0.404 32.240 31.823 0.022 0.000 0.997 508 V HN 0.972 nan 8.190 nan 0.000 0.476 509 E N 3.677 123.882 120.200 0.008 0.000 2.102 509 E HA 0.026 4.405 4.350 0.049 0.000 0.190 509 E C 0.696 177.291 176.600 -0.008 0.000 0.971 509 E CA 0.880 57.282 56.400 0.003 0.000 0.821 509 E CB 0.513 30.216 29.700 0.006 0.000 0.777 509 E HN 0.821 nan 8.360 nan 0.000 0.460 510 S N -0.807 114.886 115.700 -0.011 0.000 2.552 510 S HA 0.553 5.053 4.470 0.049 0.000 0.272 510 S C -0.765 173.820 174.600 -0.026 0.000 1.150 510 S CA -1.042 57.144 58.200 -0.022 0.000 0.849 510 S CB 1.561 64.747 63.200 -0.023 0.000 1.113 510 S HN 0.083 nan 8.310 nan 0.000 0.458 511 M N 1.833 121.412 119.600 -0.036 0.000 2.457 511 M HA 0.528 5.037 4.480 0.049 0.000 0.300 511 M C -1.185 175.088 176.300 -0.045 0.000 1.141 511 M CA -0.331 54.946 55.300 -0.038 0.000 0.901 511 M CB 2.645 35.222 32.600 -0.039 0.000 1.687 511 M HN 0.873 nan 8.290 nan 0.000 0.449 512 Q N 1.929 121.699 119.800 -0.051 0.000 2.274 512 Q HA 0.305 4.674 4.340 0.049 0.000 0.268 512 Q C -1.936 174.033 176.000 -0.052 0.000 1.015 512 Q CA -0.554 55.213 55.803 -0.060 0.000 0.775 512 Q CB 2.073 30.758 28.738 -0.088 0.000 1.256 512 Q HN 0.633 nan 8.270 nan 0.000 0.442 513 D N 4.243 124.618 120.400 -0.042 0.000 2.443 513 D HA 0.262 4.931 4.640 0.049 0.000 0.221 513 D C -0.160 176.120 176.300 -0.033 0.000 1.097 513 D CA 0.188 54.169 54.000 -0.032 0.000 0.865 513 D CB 0.390 41.175 40.800 -0.025 0.000 1.034 513 D HN 0.753 nan 8.370 nan 0.000 0.511 514 K N 1.767 122.145 120.400 -0.036 0.000 4.777 514 K HA -0.234 4.115 4.320 0.049 0.000 0.247 514 K C 1.160 177.731 176.600 -0.048 0.000 0.718 514 K CA 1.751 58.017 56.287 -0.035 0.000 0.778 514 K CB -1.429 31.058 32.500 -0.022 0.000 0.780 514 K HN 0.449 nan 8.250 nan 0.000 0.811 515 G N 1.366 110.143 108.800 -0.038 0.000 3.192 515 G HA2 0.110 4.099 3.960 0.049 0.000 0.239 515 G HA3 0.110 4.099 3.960 0.049 0.000 0.239 515 G C -0.435 174.443 174.900 -0.038 0.000 1.084 515 G CA -0.057 45.018 45.100 -0.041 0.000 0.784 515 G HN 0.316 nan 8.290 nan 0.000 0.540 516 E N 0.781 120.959 120.200 -0.036 0.000 2.156 516 E HA 0.207 4.587 4.350 0.049 0.000 0.279 516 E C -0.823 175.755 176.600 -0.037 0.000 0.965 516 E CA -0.461 55.919 56.400 -0.032 0.000 0.789 516 E CB 1.046 30.730 29.700 -0.026 0.000 1.098 516 E HN 0.050 nan 8.360 nan 0.000 0.397 517 N N 4.950 123.628 118.700 -0.036 0.000 2.458 517 N HA 0.221 4.991 4.740 0.049 0.000 0.270 517 N C -0.611 174.878 175.510 -0.036 0.000 1.102 517 N CA -0.129 52.898 53.050 -0.038 0.000 0.967 517 N CB 0.329 38.795 38.487 -0.035 0.000 1.078 517 N HN 0.385 nan 8.380 nan 0.000 0.471 518 L N 2.492 123.691 121.223 -0.040 0.000 2.334 518 L HA 0.445 4.814 4.340 0.049 0.000 0.276 518 L C 1.648 178.488 176.870 -0.051 0.000 1.014 518 L CA -0.750 54.065 54.840 -0.042 0.000 0.815 518 L CB 1.914 43.948 42.059 -0.042 0.000 1.268 518 L HN 0.662 nan 8.230 nan 0.000 0.428 519 K N -1.189 119.178 120.400 -0.055 0.000 2.284 519 K HA 0.174 4.523 4.320 0.049 0.000 0.198 519 K C 0.516 177.056 176.600 -0.101 0.000 1.048 519 K CA 0.497 56.743 56.287 -0.069 0.000 0.987 519 K CB 0.160 32.626 32.500 -0.058 0.000 0.800 519 K HN 0.735 nan 8.250 nan 0.000 0.486 520 S N -0.758 114.889 115.700 -0.089 0.000 2.541 520 S HA 0.784 5.283 4.470 0.049 0.000 0.271 520 S C -0.999 173.557 174.600 -0.074 0.000 1.133 520 S CA -0.455 57.679 58.200 -0.109 0.000 0.876 520 S CB 1.959 65.095 63.200 -0.107 0.000 1.105 520 S HN 0.909 nan 8.310 nan 0.000 0.470 521 A N 1.864 124.641 122.820 -0.072 0.000 2.343 521 A HA 0.837 5.186 4.320 0.049 0.000 0.308 521 A C 0.215 177.781 177.584 -0.030 0.000 1.092 521 A CA -0.691 51.320 52.037 -0.043 0.000 0.751 521 A CB 1.426 20.404 19.000 -0.037 0.000 1.203 521 A HN 0.825 nan 8.150 nan 0.000 0.452 522 S N 0.331 116.021 115.700 -0.018 0.000 2.484 522 S HA 0.306 4.806 4.470 0.049 0.000 0.256 522 S C 1.754 176.354 174.600 0.000 0.000 1.223 522 S CA -0.130 58.066 58.200 -0.006 0.000 1.002 522 S CB 0.146 63.344 63.200 -0.003 0.000 1.043 522 S HN 0.834 nan 8.310 nan 0.000 0.517 523 R N 0.486 120.990 120.500 0.006 0.000 0.631 523 R HA 0.029 4.398 4.340 0.049 0.000 0.045 523 R C 1.799 178.102 176.300 0.005 0.000 0.423 523 R CA 1.169 57.274 56.100 0.009 0.000 2.169 523 R CB -1.545 28.762 30.300 0.012 0.000 0.471 523 R HN 0.866 nan 8.270 nan 0.000 0.808 524 G N 0.510 109.314 108.800 0.006 0.000 3.311 524 G HA2 -0.162 3.827 3.960 0.049 0.000 0.207 524 G HA3 -0.162 3.827 3.960 0.049 0.000 0.207 524 G C 1.017 175.919 174.900 0.004 0.000 1.195 524 G CA 0.752 45.855 45.100 0.006 0.000 1.429 524 G HN 0.637 nan 8.290 nan 0.000 0.523 525 Q N 0.686 120.487 119.800 0.002 0.000 2.002 525 Q HA -0.060 4.310 4.340 0.049 0.000 0.204 525 Q C 0.816 176.817 176.000 0.002 0.000 0.988 525 Q CA 1.200 57.003 55.803 -0.001 0.000 0.843 525 Q CB -0.127 28.607 28.738 -0.006 0.000 0.908 525 Q HN 0.503 nan 8.270 nan 0.000 0.420 526 K N -0.868 119.535 120.400 0.005 0.000 6.490 526 K HA -0.087 4.263 4.320 0.049 0.000 0.811 526 K C -1.300 175.306 176.600 0.010 0.000 2.112 526 K CA 0.443 56.737 56.287 0.012 0.000 1.664 526 K CB -1.714 30.796 32.500 0.016 0.000 2.161 526 K HN 0.249 nan 8.250 nan 0.000 0.289 527 V N -1.720 118.202 119.914 0.014 0.000 3.202 527 V HA 0.911 5.060 4.120 0.049 0.000 0.306 527 V C -0.908 175.195 176.094 0.015 0.000 1.283 527 V CA -0.552 61.749 62.300 0.002 0.000 1.065 527 V CB 2.312 34.127 31.823 -0.013 0.000 1.079 527 V HN 0.820 nan 8.190 nan 0.000 0.448 528 A N 2.752 125.560 122.820 -0.020 0.000 2.269 528 A HA 0.802 5.151 4.320 0.049 0.000 0.302 528 A C -0.363 177.211 177.584 -0.018 0.000 1.266 528 A CA -0.397 51.622 52.037 -0.030 0.000 0.894 528 A CB 0.381 19.263 19.000 -0.196 0.000 1.147 528 A HN 1.273 nan 8.150 nan 0.000 0.537 529 M N 3.413 123.035 119.600 0.035 0.000 2.436 529 M HA 0.673 5.182 4.480 0.049 0.000 0.331 529 M C -0.380 175.952 176.300 0.053 0.000 1.135 529 M CA -0.497 54.821 55.300 0.030 0.000 0.987 529 M CB 1.701 34.321 32.600 0.034 0.000 1.687 529 M HN 0.692 nan 8.290 nan 0.000 0.445 530 A N 6.010 128.847 122.820 0.029 0.000 2.276 530 A HA 0.689 5.038 4.320 0.049 0.000 0.316 530 A C -0.959 176.644 177.584 0.032 0.000 1.229 530 A CA -0.626 51.434 52.037 0.039 0.000 0.851 530 A CB 0.178 19.188 19.000 0.015 0.000 1.165 530 A HN 0.896 nan 8.150 nan 0.000 0.513 531 I N 3.073 123.668 120.570 0.041 0.000 2.405 531 I HA 0.218 4.418 4.170 0.049 0.000 0.280 531 I C 0.351 176.474 176.117 0.010 0.000 1.027 531 I CA -0.450 60.859 61.300 0.015 0.000 1.161 531 I CB 1.373 39.366 38.000 -0.011 0.000 1.300 531 I HN 0.734 nan 8.210 nan 0.000 0.463 532 K N 5.577 125.982 120.400 0.009 0.000 2.414 532 K HA 0.002 4.351 4.320 0.049 0.000 0.272 532 K C 0.072 176.670 176.600 -0.003 0.000 0.993 532 K CA 0.395 56.686 56.287 0.007 0.000 0.964 532 K CB 0.479 32.983 32.500 0.007 0.000 0.925 532 K HN 0.597 nan 8.250 nan 0.000 0.487 533 D N -0.692 119.707 120.400 -0.003 0.000 2.946 533 D HA -0.201 4.468 4.640 0.049 0.000 0.202 533 D C -0.684 175.602 176.300 -0.024 0.000 1.068 533 D CA 1.614 55.608 54.000 -0.010 0.000 1.011 533 D CB -1.217 39.576 40.800 -0.010 0.000 1.105 533 D HN 0.626 nan 8.370 nan 0.000 0.425 534 A N -0.255 122.546 122.820 -0.032 0.000 2.299 534 A HA 0.820 5.169 4.320 0.049 0.000 0.332 534 A C -0.350 177.201 177.584 -0.056 0.000 1.131 534 A CA -0.086 51.909 52.037 -0.069 0.000 0.844 534 A CB 2.449 21.380 19.000 -0.115 0.000 1.251 534 A HN 0.653 nan 8.150 nan 0.000 0.486 535 V N 0.719 120.573 119.914 -0.101 0.000 2.697 535 V HA 0.533 4.682 4.120 0.049 0.000 0.300 535 V C -1.761 174.271 176.094 -0.103 0.000 1.115 535 V CA -0.669 61.606 62.300 -0.042 0.000 0.912 535 V CB 0.880 32.696 31.823 -0.012 0.000 1.024 535 V HN 0.800 nan 8.190 nan 0.000 0.431 536 Y N 4.398 124.640 120.300 -0.097 0.000 2.597 536 Y HA 0.461 5.040 4.550 0.049 0.000 0.336 536 Y C 1.556 177.384 175.900 -0.120 0.000 1.216 536 Y CA 1.954 59.976 58.100 -0.131 0.000 1.463 536 Y CB 0.945 39.365 38.460 -0.065 0.000 1.303 536 Y HN 1.332 nan 8.280 nan 0.000 0.576 537 G N 1.979 110.770 108.800 -0.015 0.000 2.298 537 G HA2 -0.274 3.716 3.960 0.049 0.000 0.287 537 G HA3 -0.274 3.716 3.960 0.049 0.000 0.287 537 G C 0.301 175.250 174.900 0.082 0.000 1.075 537 G CA 0.872 46.045 45.100 0.123 0.000 0.960 537 G HN 0.736 nan 8.290 nan 0.000 0.502 538 K N -2.941 117.387 120.400 -0.120 0.000 3.082 538 K HA 0.104 4.453 4.320 0.049 0.000 0.273 538 K C 2.048 178.598 176.600 -0.084 0.000 2.724 538 K CA 1.088 57.373 56.287 -0.003 0.000 1.568 538 K CB -0.858 31.634 32.500 -0.013 0.000 2.962 538 K HN 0.135 nan 8.250 nan 0.000 0.414 539 T N 1.062 115.499 114.554 -0.196 0.000 3.010 539 T HA 0.358 4.738 4.350 0.049 0.000 0.252 539 T C 0.534 175.066 174.700 -0.280 0.000 1.047 539 T CA 0.816 62.821 62.100 -0.159 0.000 1.140 539 T CB 0.308 69.102 68.868 -0.123 0.000 0.885 539 T HN 0.281 nan 8.240 nan 0.000 0.464 540 I N 0.889 121.148 120.570 -0.518 0.000 2.785 540 I HA 0.416 4.616 4.170 0.049 0.000 0.302 540 I C -1.402 174.189 176.117 -0.876 0.000 1.069 540 I CA -1.045 59.913 61.300 -0.571 0.000 1.045 540 I CB 1.927 39.574 38.000 -0.589 0.000 1.236 540 I HN 0.135 nan 8.210 nan 0.000 0.429 541 H N 4.557 123.535 119.070 -0.154 0.000 2.851 541 H HA 0.309 4.894 4.556 0.049 0.000 0.372 541 H C -1.098 174.260 175.328 0.048 0.000 1.158 541 H CA -0.749 55.290 56.048 -0.015 0.000 1.159 541 H CB 1.779 31.544 29.762 0.005 0.000 1.757 541 H HN 0.561 nan 8.280 nan 0.000 0.546 542 E N 0.603 120.974 120.200 0.284 0.000 2.480 542 E HA 0.166 4.545 4.350 0.049 0.000 0.258 542 E C 0.801 177.481 176.600 0.133 0.000 0.984 542 E CA 1.142 57.679 56.400 0.228 0.000 0.930 542 E CB 0.412 30.214 29.700 0.170 0.000 0.936 542 E HN 0.962 nan 8.360 nan 0.000 0.466 543 G N 3.671 112.529 108.800 0.097 0.000 2.308 543 G HA2 -0.236 3.753 3.960 0.049 0.000 0.221 543 G HA3 -0.236 3.753 3.960 0.049 0.000 0.221 543 G C -0.015 174.905 174.900 0.034 0.000 1.032 543 G CA -0.124 45.009 45.100 0.055 0.000 0.623 543 G HN 0.589 nan 8.290 nan 0.000 0.506 544 D N 1.657 122.083 120.400 0.044 0.000 2.515 544 D HA 0.423 5.092 4.640 0.049 0.000 0.232 544 D C 0.563 176.835 176.300 -0.047 0.000 1.157 544 D CA 1.073 55.082 54.000 0.015 0.000 0.871 544 D CB 0.585 41.403 40.800 0.031 0.000 1.200 544 D HN 0.183 nan 8.370 nan 0.000 0.466 545 T N 1.968 116.467 114.554 -0.092 0.000 2.795 545 T HA 0.518 4.897 4.350 0.049 0.000 0.282 545 T C 0.140 174.596 174.700 -0.408 0.000 0.980 545 T CA -0.631 61.318 62.100 -0.251 0.000 1.012 545 T CB 0.543 69.242 68.868 -0.282 0.000 0.936 545 T HN 0.077 nan 8.240 nan 0.000 0.457 546 L N 3.053 124.003 121.223 -0.454 0.000 2.333 546 L HA 0.670 5.039 4.340 0.049 0.000 0.269 546 L C -1.084 175.451 176.870 -0.557 0.000 1.010 546 L CA -1.176 53.444 54.840 -0.367 0.000 0.818 546 L CB 1.388 43.354 42.059 -0.154 0.000 1.306 546 L HN 0.621 nan 8.230 nan 0.000 0.430 547 Y N -0.410 119.885 120.300 -0.008 0.000 2.602 547 Y HA 0.507 5.086 4.550 0.049 0.000 0.342 547 Y C 0.001 175.896 175.900 -0.009 0.000 1.029 547 Y CA -1.091 57.005 58.100 -0.008 0.000 1.080 547 Y CB 1.603 40.048 38.460 -0.025 0.000 1.284 547 Y HN 0.077 nan 8.280 nan 0.000 0.485 548 V N 1.553 121.558 119.914 0.153 0.000 2.583 548 V HA 0.044 4.193 4.120 0.049 0.000 0.287 548 V C -0.107 175.994 176.094 0.011 0.000 1.051 548 V CA -0.434 61.905 62.300 0.065 0.000 1.010 548 V CB 0.979 32.826 31.823 0.040 0.000 0.988 548 V HN 0.707 nan 8.190 nan 0.000 0.478 549 D N 5.092 125.476 120.400 -0.027 0.000 2.500 549 D HA 0.262 4.931 4.640 0.049 0.000 0.219 549 D C 0.048 176.289 176.300 -0.098 0.000 1.137 549 D CA -0.269 53.697 54.000 -0.058 0.000 0.946 549 D CB 0.337 41.111 40.800 -0.044 0.000 1.022 549 D HN 0.419 nan 8.370 nan 0.000 0.518 550 I N 3.781 124.284 120.570 -0.110 0.000 2.556 550 I HA 0.094 4.293 4.170 0.049 0.000 0.284 550 I C -1.716 174.356 176.117 -0.075 0.000 1.114 550 I CA -1.513 59.730 61.300 -0.094 0.000 1.418 550 I CB 0.409 38.369 38.000 -0.067 0.000 1.394 550 I HN 0.126 nan 8.210 nan 0.000 0.552 551 P HA 0.034 nan 4.420 nan 0.000 0.269 551 P C 0.361 177.651 177.300 -0.016 0.000 1.217 551 P CA -0.171 62.873 63.100 -0.093 0.000 0.783 551 P CB 0.593 32.139 31.700 -0.257 0.000 0.898 552 E N 1.403 121.588 120.200 -0.025 0.000 2.021 552 E HA -0.269 4.110 4.350 0.049 0.000 0.200 552 E C 1.712 178.340 176.600 0.046 0.000 1.015 552 E CA 1.659 58.062 56.400 0.004 0.000 0.824 552 E CB -0.495 29.216 29.700 0.018 0.000 0.762 552 E HN 0.584 nan 8.360 nan 0.000 0.454 553 N N 1.036 119.813 118.700 0.129 0.000 2.084 553 N HA -0.237 4.532 4.740 0.049 0.000 0.190 553 N C 1.640 177.307 175.510 0.260 0.000 1.030 553 N CA 1.563 54.776 53.050 0.272 0.000 0.849 553 N CB -1.067 37.543 38.487 0.204 0.000 1.012 553 N HN 0.401 nan 8.380 nan 0.000 0.423 554 H N -1.213 117.892 119.070 0.058 0.000 2.496 554 H HA -0.175 4.410 4.556 0.049 0.000 0.296 554 H C 1.460 176.841 175.328 0.088 0.000 1.107 554 H CA 1.322 57.389 56.048 0.032 0.000 1.263 554 H CB 0.029 29.776 29.762 -0.025 0.000 1.369 554 H HN 0.315 nan 8.280 nan 0.000 0.541 555 Y N 0.536 120.868 120.300 0.054 0.000 2.269 555 Y HA -0.144 4.435 4.550 0.049 0.000 0.294 555 Y C 2.395 178.286 175.900 -0.015 0.000 1.120 555 Y CA 1.013 59.092 58.100 -0.034 0.000 1.159 555 Y CB -0.533 37.846 38.460 -0.135 0.000 1.024 555 Y HN 0.203 nan 8.280 nan 0.000 0.532 556 H N 0.748 119.734 119.070 -0.139 0.000 2.394 556 H HA -0.128 4.458 4.556 0.049 0.000 0.297 556 H C 1.011 176.243 175.328 -0.160 0.000 1.113 556 H CA 1.818 57.729 56.048 -0.229 0.000 1.277 556 H CB -0.596 29.132 29.762 -0.057 0.000 1.370 556 H HN 0.297 nan 8.280 nan 0.000 0.506 557 I N 2.729 123.353 120.570 0.089 0.000 2.426 557 I HA -0.046 4.153 4.170 0.049 0.000 0.282 557 I C 0.098 176.239 176.117 0.041 0.000 1.064 557 I CA -0.365 60.999 61.300 0.106 0.000 2.047 557 I CB -0.641 37.484 38.000 0.209 0.000 1.497 557 I HN -0.083 nan 8.210 nan 0.000 0.899 567 T N -2.279 112.296 114.554 0.034 0.000 2.938 567 T HA 0.440 4.820 4.350 0.049 0.000 0.285 567 T C 0.410 175.128 174.700 0.030 0.000 1.028 567 T CA -0.473 61.644 62.100 0.029 0.000 1.005 567 T CB 0.653 69.538 68.868 0.028 0.000 1.157 567 T HN 0.549 nan 8.240 nan 0.000 0.550 568 D N 0.347 120.763 120.400 0.026 0.000 2.182 568 D HA -0.090 4.579 4.640 0.049 0.000 0.201 568 D C 1.928 178.246 176.300 0.030 0.000 0.986 568 D CA 0.961 54.977 54.000 0.026 0.000 0.847 568 D CB 0.291 41.104 40.800 0.022 0.000 0.942 568 D HN 0.597 nan 8.370 nan 0.000 0.467 569 E N 0.801 121.020 120.200 0.032 0.000 2.047 569 E HA -0.127 4.252 4.350 0.049 0.000 0.191 569 E C 2.014 178.641 176.600 0.045 0.000 0.987 569 E CA 0.648 57.070 56.400 0.037 0.000 0.799 569 E CB -0.255 29.466 29.700 0.035 0.000 0.752 569 E HN 0.521 nan 8.360 nan 0.000 0.449 570 E N 0.657 120.885 120.200 0.046 0.000 2.153 570 E HA -0.147 4.232 4.350 0.049 0.000 0.194 570 E C 2.535 179.168 176.600 0.055 0.000 0.988 570 E CA 1.243 57.676 56.400 0.055 0.000 0.811 570 E CB -0.384 29.349 29.700 0.055 0.000 0.746 570 E HN 0.218 nan 8.360 nan 0.000 0.466 571 L N 1.535 122.787 121.223 0.047 0.000 2.005 571 L HA -0.189 4.180 4.340 0.049 0.000 0.207 571 L C 2.166 179.061 176.870 0.042 0.000 1.072 571 L CA 2.487 57.355 54.840 0.047 0.000 0.744 571 L CB -1.339 40.743 42.059 0.038 0.000 0.895 571 L HN 0.015 nan 8.230 nan 0.000 0.433 572 D N -0.215 120.207 120.400 0.036 0.000 2.106 572 D HA -0.212 4.457 4.640 0.049 0.000 0.191 572 D C 2.142 178.459 176.300 0.029 0.000 0.997 572 D CA 1.828 55.846 54.000 0.030 0.000 0.834 572 D CB -0.122 40.697 40.800 0.031 0.000 0.956 572 D HN 0.464 nan 8.370 nan 0.000 0.448 573 L N 0.494 121.743 121.223 0.044 0.000 2.083 573 L HA -0.132 4.237 4.340 0.049 0.000 0.209 573 L C 2.297 179.178 176.870 0.018 0.000 1.083 573 L CA 1.306 56.177 54.840 0.052 0.000 0.752 573 L CB -0.515 41.599 42.059 0.091 0.000 0.899 573 L HN -0.077 nan 8.230 nan 0.000 0.433 574 M N -0.563 119.057 119.600 0.033 0.000 2.195 574 M HA -0.235 4.274 4.480 0.049 0.000 0.260 574 M C 1.572 177.869 176.300 -0.005 0.000 1.066 574 M CA 1.841 57.162 55.300 0.035 0.000 1.089 574 M CB -0.530 32.124 32.600 0.091 0.000 1.377 574 M HN 0.325 nan 8.290 nan 0.000 0.411 575 D N -0.619 119.780 120.400 -0.001 0.000 2.301 575 D HA 0.012 4.681 4.640 0.049 0.000 0.206 575 D C 2.148 178.405 176.300 -0.071 0.000 0.979 575 D CA 1.293 55.281 54.000 -0.020 0.000 0.874 575 D CB -0.085 40.718 40.800 0.006 0.000 0.968 575 D HN 0.486 nan 8.370 nan 0.000 0.510 576 K N 1.351 121.706 120.400 -0.075 0.000 2.057 576 K HA -0.075 4.274 4.320 0.049 0.000 0.207 576 K C 2.097 178.548 176.600 -0.248 0.000 1.049 576 K CA 0.784 56.992 56.287 -0.132 0.000 0.931 576 K CB -1.113 31.336 32.500 -0.085 0.000 0.714 576 K HN 0.156 nan 8.250 nan 0.000 0.440 577 I N 0.564 120.992 120.570 -0.236 0.000 2.315 577 I HA -0.193 4.006 4.170 0.049 0.000 0.248 577 I C 3.027 178.978 176.117 -0.277 0.000 1.117 577 I CA 0.981 62.105 61.300 -0.293 0.000 1.404 577 I CB -0.389 37.477 38.000 -0.224 0.000 1.071 577 I HN 0.412 nan 8.210 nan 0.000 0.419 578 A N 1.066 123.740 122.820 -0.244 0.000 1.851 578 A HA -0.256 4.093 4.320 0.049 0.000 0.216 578 A C 2.197 179.686 177.584 -0.159 0.000 1.195 578 A CA 1.965 53.871 52.037 -0.218 0.000 0.622 578 A CB -0.760 18.163 19.000 -0.128 0.000 0.831 578 A HN 0.454 nan 8.150 nan 0.000 0.444 579 E N -0.199 119.921 120.200 -0.134 0.000 2.048 579 E HA -0.248 4.131 4.350 0.049 0.000 0.202 579 E C 1.952 178.475 176.600 -0.128 0.000 1.021 579 E CA 1.611 57.945 56.400 -0.110 0.000 0.825 579 E CB -0.542 29.096 29.700 -0.102 0.000 0.756 579 E HN 0.700 nan 8.360 nan 0.000 0.454 580 I N 1.211 121.672 120.570 -0.182 0.000 2.113 580 I HA -0.336 3.863 4.170 0.049 0.000 0.242 580 I C 2.378 178.411 176.117 -0.139 0.000 1.064 580 I CA 1.295 62.485 61.300 -0.183 0.000 1.320 580 I CB -0.416 37.410 38.000 -0.290 0.000 1.028 580 I HN 0.048 nan 8.210 nan 0.000 0.406 581 K N 0.783 121.089 120.400 -0.155 0.000 2.148 581 K HA -0.100 4.249 4.320 0.049 0.000 0.204 581 K C 2.431 178.974 176.600 -0.094 0.000 1.050 581 K CA 1.563 57.773 56.287 -0.128 0.000 0.942 581 K CB -0.694 31.706 32.500 -0.166 0.000 0.724 581 K HN 0.401 nan 8.250 nan 0.000 0.446 582 R N 2.301 122.746 120.500 -0.091 0.000 2.237 582 R HA -0.053 4.316 4.340 0.049 0.000 0.219 582 R C 2.018 178.289 176.300 -0.048 0.000 1.080 582 R CA 1.366 57.430 56.100 -0.060 0.000 0.995 582 R CB -0.789 29.480 30.300 -0.052 0.000 0.875 582 R HN 0.344 nan 8.270 nan 0.000 0.462 583 K N 0.243 120.609 120.400 -0.056 0.000 1.978 583 K HA -0.105 4.244 4.320 0.049 0.000 0.214 583 K C 2.265 178.844 176.600 -0.034 0.000 1.049 583 K CA 2.123 58.383 56.287 -0.044 0.000 0.939 583 K CB -0.119 32.352 32.500 -0.048 0.000 0.721 583 K HN 0.459 nan 8.250 nan 0.000 0.441 584 K N 1.072 121.451 120.400 -0.036 0.000 2.684 584 K HA 0.194 4.543 4.320 0.049 0.000 0.215 584 K C 0.056 176.640 176.600 -0.027 0.000 1.073 584 K CA 0.647 56.917 56.287 -0.028 0.000 1.197 584 K CB -0.851 31.633 32.500 -0.027 0.000 0.955 584 K HN 0.501 nan 8.250 nan 0.000 0.473 585 N N -0.989 117.694 118.700 -0.028 0.000 3.522 585 N HA 0.803 5.572 4.740 0.049 0.000 0.328 585 N C -1.839 173.662 175.510 -0.016 0.000 1.623 585 N CA -0.148 52.889 53.050 -0.022 0.000 0.812 585 N CB 0.025 38.494 38.487 -0.030 0.000 2.008 585 N HN 0.409 nan 8.380 nan 0.000 0.601 586 P HA 0.000 nan 4.420 nan 0.000 0.216 586 P CA 0.000 63.100 63.100 0.001 0.000 0.800 586 P CB 0.000 31.708 31.700 0.013 0.000 0.726