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 2j7b_1_B DATA FIRST_RESID 3 DATA SEQUENCE VKKFPEGFLW GVATASYQIE GSPLADGAGM SIWHTFSHTP GNVKNGDTGD DATA SEQUENCE VACDHYNRWK EDIEIIEKLG VKAYRFSISW PRILPEGTGR VNQKGLDFYN DATA SEQUENCE RIIDTLLEKG ITPFVTIYHW DLPFALQLKG GWANREIADW FAEYSRVLFE DATA SEQUENCE NFGDRVKNWI TLNEPWVVAI VGHLYGVHAP GMRDIYVAFR AVHNLLRAHA DATA SEQUENCE RAVKVFRETV KDGKIGIVFN NGYFEPASEK EEDIRAVRFM HQFNNYPLFL DATA SEQUENCE NPIYRGDYPE LVLEFAREYL PENYKDDMSE IQEKIDFVGL NYYSGHLVKF DATA SEQUENCE DPDAXAKVSF VERDLPKTAM GWEIVPEGIY WILKKVKEEY NPPEVYITEN DATA SEQUENCE GAAFDDVVSE DGRVHDQNRI DYLKAHIGQA WKAIQEGVPL KGYFVWSLLD DATA SEQUENCE NFEWAEGYSK RFGIVYVDYS TQKRIVKDSG YWYSNVVKNN GLE 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 3 V HA 0.000 nan 4.120 nan 0.000 0.244 3 V C 0.000 175.859 176.094 -0.392 0.000 1.182 3 V CA 0.000 62.174 62.300 -0.210 0.000 1.235 3 V CB 0.000 31.748 31.823 -0.125 0.000 1.184 4 K N 2.616 122.729 120.400 -0.478 0.000 2.572 4 K HA 0.538 4.873 4.320 0.025 0.000 0.244 4 K C -0.868 175.530 176.600 -0.336 0.000 0.965 4 K CA -0.645 55.069 56.287 -0.955 0.000 0.943 4 K CB 1.857 33.487 32.500 -1.450 0.000 1.154 4 K HN 0.641 nan 8.250 nan 0.000 0.447 5 K N 2.707 123.110 120.400 0.005 0.000 2.183 5 K HA 0.313 4.648 4.320 0.025 0.000 0.274 5 K C -0.434 176.376 176.600 0.350 0.000 1.009 5 K CA -0.526 55.899 56.287 0.230 0.000 0.888 5 K CB 0.761 33.355 32.500 0.158 0.000 1.078 5 K HN 0.226 nan 8.250 nan 0.000 0.459 6 F N 3.067 123.126 119.950 0.182 0.000 2.370 6 F HA 0.256 4.798 4.527 0.025 0.000 0.324 6 F C -1.492 174.311 175.800 0.005 0.000 1.116 6 F CA -2.065 55.927 58.000 -0.014 0.000 1.123 6 F CB -0.020 38.739 39.000 -0.401 0.000 1.238 6 F HN 0.376 nan 8.300 nan 0.000 0.536 7 P HA -0.079 nan 4.420 nan 0.000 0.267 7 P C -0.808 176.609 177.300 0.194 0.000 1.195 7 P CA -0.015 63.157 63.100 0.121 0.000 0.773 7 P CB 0.368 32.140 31.700 0.120 0.000 0.837 8 E N 1.459 121.744 120.200 0.142 0.000 2.414 8 E HA 0.289 4.654 4.350 0.025 0.000 0.263 8 E C 1.266 177.953 176.600 0.147 0.000 1.000 8 E CA 1.052 57.535 56.400 0.139 0.000 0.914 8 E CB -0.650 29.107 29.700 0.095 0.000 0.948 8 E HN 0.686 nan 8.360 nan 0.000 0.444 9 G N 3.685 112.575 108.800 0.151 0.000 2.179 9 G HA2 -0.342 3.633 3.960 0.025 0.000 0.260 9 G HA3 -0.342 3.633 3.960 0.025 0.000 0.260 9 G C 0.186 175.154 174.900 0.112 0.000 0.977 9 G CA 0.022 45.194 45.100 0.120 0.000 0.641 9 G HN 0.602 nan 8.290 nan 0.000 0.533 10 F N 0.577 120.521 119.950 -0.010 0.000 2.642 10 F HA 0.407 4.948 4.527 0.024 0.000 0.371 10 F C 0.628 176.278 175.800 -0.250 0.000 1.120 10 F CA -0.085 57.831 58.000 -0.141 0.000 1.331 10 F CB 0.424 39.327 39.000 -0.162 0.000 1.044 10 F HN 0.152 nan 8.300 nan 0.000 0.594 11 L N 7.365 128.027 121.223 -0.936 0.000 2.272 11 L HA 0.351 4.706 4.340 0.025 0.000 0.289 11 L C -1.661 174.707 176.870 -0.838 0.000 1.032 11 L CA -0.333 54.130 54.840 -0.629 0.000 0.810 11 L CB 0.546 42.362 42.059 -0.405 0.000 1.205 11 L HN 0.574 nan 8.230 nan 0.000 0.422 12 W N 4.676 125.803 121.300 -0.287 0.000 2.429 12 W HA 0.729 5.404 4.660 0.025 0.000 0.314 12 W C 0.470 176.818 176.519 -0.285 0.000 1.062 12 W CA -0.461 56.764 57.345 -0.201 0.000 1.211 12 W CB 1.944 31.307 29.460 -0.162 0.000 1.305 12 W HN 0.724 nan 8.180 nan 0.000 0.476 13 G N 0.905 109.614 108.800 -0.153 0.000 2.798 13 G HA2 0.749 4.724 3.960 0.025 0.000 0.286 13 G HA3 0.749 4.724 3.960 0.025 0.000 0.286 13 G C -1.389 173.624 174.900 0.188 0.000 1.389 13 G CA -0.919 44.032 45.100 -0.248 0.000 0.894 13 G HN 0.649 nan 8.290 nan 0.000 0.488 14 V N -3.178 116.943 119.914 0.345 0.000 2.962 14 V HA 0.960 5.095 4.120 0.025 0.000 0.313 14 V C -0.101 176.264 176.094 0.451 0.000 1.099 14 V CA -0.848 61.650 62.300 0.331 0.000 0.971 14 V CB 1.297 33.247 31.823 0.211 0.000 1.028 14 V HN 1.747 nan 8.190 nan 0.000 0.430 15 A N 2.356 125.325 122.820 0.249 0.000 2.365 15 A HA 1.025 5.360 4.320 0.025 0.000 0.318 15 A C 0.001 177.458 177.584 -0.211 0.000 1.091 15 A CA 0.007 52.141 52.037 0.160 0.000 0.763 15 A CB 1.808 20.999 19.000 0.318 0.000 1.248 15 A HN 1.840 nan 8.150 nan 0.000 0.442 16 T N -1.745 112.729 114.554 -0.133 0.000 2.804 16 T HA 0.890 5.255 4.350 0.025 0.000 0.290 16 T C -0.418 174.247 174.700 -0.058 0.000 1.099 16 T CA -0.190 61.712 62.100 -0.330 0.000 1.011 16 T CB 1.628 70.417 68.868 -0.132 0.000 1.291 16 T HN 2.096 nan 8.240 nan 0.000 0.523 17 A N 0.501 123.271 122.820 -0.083 0.000 2.475 17 A HA 0.719 5.054 4.320 0.025 0.000 0.301 17 A C 1.191 178.756 177.584 -0.033 0.000 1.059 17 A CA -0.136 51.778 52.037 -0.204 0.000 0.710 17 A CB 1.405 19.973 19.000 -0.721 0.000 1.288 17 A HN 1.460 nan 8.150 nan 0.000 0.408 18 S N 1.211 116.978 115.700 0.111 0.000 2.369 18 S HA -0.313 4.172 4.470 0.025 0.000 0.225 18 S C 1.684 176.401 174.600 0.195 0.000 1.043 18 S CA 2.258 60.615 58.200 0.262 0.000 1.074 18 S CB -0.919 62.521 63.200 0.399 0.000 0.962 18 S HN 1.003 nan 8.310 nan 0.000 0.433 19 Y N 2.596 122.942 120.300 0.078 0.000 2.352 19 Y HA -0.008 4.557 4.550 0.025 0.000 0.292 19 Y C 2.645 178.456 175.900 -0.149 0.000 1.136 19 Y CA 1.516 59.624 58.100 0.014 0.000 1.227 19 Y CB -0.442 38.081 38.460 0.105 0.000 0.991 19 Y HN 0.389 nan 8.280 nan 0.000 0.545 20 Q N -0.463 119.210 119.800 -0.213 0.000 2.230 20 Q HA -0.062 4.293 4.340 0.025 0.000 0.202 20 Q C 1.905 177.835 176.000 -0.117 0.000 0.963 20 Q CA 1.753 57.391 55.803 -0.275 0.000 0.866 20 Q CB 0.050 28.574 28.738 -0.356 0.000 0.931 20 Q HN 0.762 nan 8.270 nan 0.000 0.452 21 I N -4.370 116.155 120.570 -0.075 0.000 4.471 21 I HA 0.158 4.343 4.170 0.025 0.000 0.326 21 I C 1.404 177.581 176.117 0.100 0.000 1.300 21 I CA 0.053 61.358 61.300 0.008 0.000 1.237 21 I CB 0.255 38.215 38.000 -0.067 0.000 1.195 21 I HN -0.120 nan 8.210 nan 0.000 0.427 22 E N 2.422 122.682 120.200 0.100 0.000 2.076 22 E HA 0.191 4.556 4.350 0.025 0.000 0.190 22 E C 1.410 178.064 176.600 0.090 0.000 0.979 22 E CA 0.812 57.338 56.400 0.210 0.000 0.807 22 E CB -0.155 29.683 29.700 0.231 0.000 0.761 22 E HN 0.639 nan 8.360 nan 0.000 0.454 23 G N 0.815 109.575 108.800 -0.068 0.000 2.692 23 G HA2 -0.347 3.628 3.960 0.025 0.000 0.248 23 G HA3 -0.347 3.628 3.960 0.025 0.000 0.248 23 G C 0.126 174.932 174.900 -0.158 0.000 1.340 23 G CA -0.154 44.880 45.100 -0.109 0.000 0.896 23 G HN 0.255 nan 8.290 nan 0.000 0.570 24 S N -0.156 115.446 115.700 -0.165 0.000 3.550 24 S HA -0.161 4.324 4.470 0.025 0.000 0.372 24 S C -0.357 174.016 174.600 -0.379 0.000 0.966 24 S CA 1.365 59.380 58.200 -0.308 0.000 1.229 24 S CB -0.649 62.249 63.200 -0.504 0.000 0.917 24 S HN 0.972 nan 8.310 nan 0.000 0.496 25 P HA -0.020 nan 4.420 nan 0.000 0.220 25 P C 0.850 178.040 177.300 -0.183 0.000 1.148 25 P CA 0.935 63.976 63.100 -0.099 0.000 0.803 25 P CB 0.081 31.843 31.700 0.103 0.000 0.782 26 L N -1.675 119.417 121.223 -0.218 0.000 2.857 26 L HA 0.358 4.713 4.340 0.025 0.000 0.249 26 L C 1.021 177.781 176.870 -0.183 0.000 1.172 26 L CA -0.602 54.114 54.840 -0.206 0.000 0.980 26 L CB -0.003 41.927 42.059 -0.215 0.000 1.299 26 L HN -0.174 nan 8.230 nan 0.000 0.535 27 A N -0.085 122.574 122.820 -0.268 0.000 2.407 27 A HA 0.200 4.535 4.320 0.025 0.000 0.248 27 A C 0.470 177.966 177.584 -0.146 0.000 1.082 27 A CA -0.025 51.872 52.037 -0.233 0.000 0.785 27 A CB 0.064 18.825 19.000 -0.398 0.000 1.020 27 A HN 0.502 nan 8.150 nan 0.000 0.489 28 D N 0.522 120.901 120.400 -0.035 0.000 2.800 28 D HA -0.188 4.467 4.640 0.025 0.000 0.232 28 D C 0.942 177.256 176.300 0.024 0.000 1.137 28 D CA 2.268 56.286 54.000 0.030 0.000 0.718 28 D CB -1.493 39.374 40.800 0.113 0.000 1.084 28 D HN 1.972 nan 8.370 nan 0.000 0.432 29 G N -1.402 107.396 108.800 -0.004 0.000 2.157 29 G HA2 -0.119 3.856 3.960 0.025 0.000 0.248 29 G HA3 -0.119 3.856 3.960 0.025 0.000 0.248 29 G C 0.528 175.428 174.900 0.000 0.000 0.979 29 G CA 0.664 45.766 45.100 0.003 0.000 0.650 29 G HN 1.239 nan 8.290 nan 0.000 0.529 30 A N 0.232 123.039 122.820 -0.023 0.000 2.445 30 A HA 0.654 4.989 4.320 0.025 0.000 0.242 30 A C 1.213 178.776 177.584 -0.035 0.000 1.075 30 A CA 0.979 53.008 52.037 -0.013 0.000 0.777 30 A CB 0.397 19.371 19.000 -0.044 0.000 1.013 30 A HN 1.789 nan 8.150 nan 0.000 0.493 31 G N 0.989 109.784 108.800 -0.008 0.000 2.507 31 G HA2 0.481 4.455 3.960 0.025 0.000 0.271 31 G HA3 0.481 4.455 3.960 0.025 0.000 0.271 31 G C 0.219 175.090 174.900 -0.047 0.000 1.189 31 G CA -0.818 44.266 45.100 -0.028 0.000 0.859 31 G HN 0.750 nan 8.290 nan 0.000 0.542 32 M N 1.108 120.663 119.600 -0.076 0.000 2.252 32 M HA 0.157 4.652 4.480 0.025 0.000 0.333 32 M C 1.012 177.343 176.300 0.051 0.000 1.111 32 M CA 0.107 55.339 55.300 -0.114 0.000 1.140 32 M CB 0.862 33.359 32.600 -0.172 0.000 1.538 32 M HN 0.649 nan 8.290 nan 0.000 0.448 33 S N 2.253 118.020 115.700 0.111 0.000 2.722 33 S HA 0.456 4.941 4.470 0.025 0.000 0.292 33 S C 0.906 175.639 174.600 0.222 0.000 1.135 33 S CA -0.996 57.315 58.200 0.185 0.000 1.003 33 S CB 0.794 64.130 63.200 0.227 0.000 1.067 33 S HN 0.779 nan 8.310 nan 0.000 0.546 34 I N -2.953 117.751 120.570 0.224 0.000 2.614 34 I HA 0.073 4.258 4.170 0.025 0.000 0.258 34 I C 1.609 177.739 176.117 0.023 0.000 1.189 34 I CA 0.790 62.191 61.300 0.168 0.000 1.462 34 I CB -0.365 37.680 38.000 0.075 0.000 1.092 34 I HN 0.627 nan 8.210 nan 0.000 0.442 35 W N 0.953 122.252 121.300 -0.002 0.000 2.476 35 W HA -0.038 4.636 4.660 0.024 0.000 0.281 35 W C 2.687 179.160 176.519 -0.077 0.000 1.230 35 W CA 1.469 58.729 57.345 -0.142 0.000 1.287 35 W CB -0.311 28.817 29.460 -0.554 0.000 1.108 35 W HN 0.268 nan 8.180 nan 0.000 0.567 36 H N -0.053 119.072 119.070 0.092 0.000 2.290 36 H HA -0.204 4.366 4.556 0.025 0.000 0.298 36 H C 2.424 177.875 175.328 0.204 0.000 1.087 36 H CA 3.209 59.410 56.048 0.256 0.000 1.291 36 H CB -0.390 29.458 29.762 0.145 0.000 1.369 36 H HN -0.004 nan 8.280 nan 0.000 0.492 37 T N -2.159 112.447 114.554 0.086 0.000 2.821 37 T HA -0.185 4.180 4.350 0.025 0.000 0.267 37 T C 2.016 176.733 174.700 0.028 0.000 1.046 37 T CA 1.164 63.221 62.100 -0.073 0.000 1.139 37 T CB -0.854 67.834 68.868 -0.300 0.000 0.871 37 T HN 0.321 nan 8.240 nan 0.000 0.454 38 F N 3.233 123.122 119.950 -0.103 0.000 2.102 38 F HA -0.072 4.470 4.527 0.025 0.000 0.298 38 F C 2.734 178.506 175.800 -0.046 0.000 1.105 38 F CA 1.742 59.643 58.000 -0.165 0.000 1.239 38 F CB -0.486 38.228 39.000 -0.477 0.000 0.991 38 F HN 0.337 nan 8.300 nan 0.000 0.474 39 S N -1.517 114.300 115.700 0.195 0.000 2.428 39 S HA -0.183 4.302 4.470 0.025 0.000 0.230 39 S C 1.763 176.319 174.600 -0.074 0.000 1.014 39 S CA 1.092 59.398 58.200 0.176 0.000 0.957 39 S CB -0.986 62.485 63.200 0.452 0.000 0.784 39 S HN 0.555 nan 8.310 nan 0.000 0.499 40 H N 1.193 120.193 119.070 -0.117 0.000 2.543 40 H HA 0.200 4.771 4.556 0.025 0.000 0.269 40 H C -0.189 175.052 175.328 -0.145 0.000 1.005 40 H CA 0.549 56.499 56.048 -0.164 0.000 1.146 40 H CB 0.036 29.626 29.762 -0.286 0.000 1.353 40 H HN 0.376 nan 8.280 nan 0.000 0.595 41 T N 3.732 118.229 114.554 -0.096 0.000 2.728 41 T HA 0.195 4.560 4.350 0.025 0.000 0.296 41 T C -2.306 172.300 174.700 -0.157 0.000 0.940 41 T CA -1.394 60.625 62.100 -0.135 0.000 1.013 41 T CB 1.580 70.330 68.868 -0.198 0.000 0.912 41 T HN 0.093 nan 8.240 nan 0.000 0.484 42 P HA 0.255 nan 4.420 nan 0.000 0.265 42 P C 1.103 178.342 177.300 -0.102 0.000 1.193 42 P CA 0.739 63.788 63.100 -0.085 0.000 0.765 42 P CB 0.399 32.068 31.700 -0.052 0.000 0.823 43 G N 2.716 111.464 108.800 -0.087 0.000 2.213 43 G HA2 -0.261 3.714 3.960 0.025 0.000 0.236 43 G HA3 -0.261 3.714 3.960 0.025 0.000 0.236 43 G C 1.172 176.008 174.900 -0.107 0.000 0.991 43 G CA 0.017 45.071 45.100 -0.076 0.000 0.629 43 G HN 0.482 nan 8.290 nan 0.000 0.517 44 N N -0.203 118.368 118.700 -0.215 0.000 2.395 44 N HA 0.221 4.976 4.740 0.025 0.000 0.175 44 N C 0.555 176.024 175.510 -0.070 0.000 1.029 44 N CA 1.329 54.174 53.050 -0.342 0.000 0.897 44 N CB 0.471 38.308 38.487 -1.082 0.000 0.991 44 N HN 0.430 nan 8.380 nan 0.000 0.441 45 V N 1.018 120.938 119.914 0.009 0.000 2.656 45 V HA 0.211 4.346 4.120 0.025 0.000 0.307 45 V C 0.213 176.364 176.094 0.095 0.000 1.051 45 V CA -1.321 61.072 62.300 0.156 0.000 0.893 45 V CB 2.583 34.589 31.823 0.304 0.000 0.999 45 V HN -0.049 nan 8.190 nan 0.000 0.426 46 K N 3.732 124.185 120.400 0.089 0.000 2.530 46 K HA -0.040 4.295 4.320 0.025 0.000 0.280 46 K C 0.835 177.470 176.600 0.059 0.000 1.004 46 K CA 0.753 57.074 56.287 0.057 0.000 1.071 46 K CB 0.005 32.529 32.500 0.041 0.000 0.876 46 K HN 0.803 nan 8.250 nan 0.000 0.487 47 N N 2.222 120.949 118.700 0.046 0.000 2.815 47 N HA -0.207 4.548 4.740 0.025 0.000 0.247 47 N C 0.490 176.027 175.510 0.045 0.000 1.030 47 N CA 1.354 54.431 53.050 0.046 0.000 0.881 47 N CB -1.657 36.866 38.487 0.059 0.000 1.134 47 N HN 0.992 nan 8.380 nan 0.000 0.582 48 G N -0.104 108.720 108.800 0.040 0.000 2.203 48 G HA2 -0.321 3.654 3.960 0.025 0.000 0.263 48 G HA3 -0.321 3.654 3.960 0.025 0.000 0.263 48 G C -0.224 174.702 174.900 0.043 0.000 1.012 48 G CA 0.607 45.719 45.100 0.020 0.000 0.749 48 G HN 0.539 nan 8.290 nan 0.000 0.512 49 D N 0.434 120.910 120.400 0.127 0.000 2.382 49 D HA 0.516 5.171 4.640 0.025 0.000 0.240 49 D C 1.140 177.570 176.300 0.216 0.000 1.146 49 D CA 1.334 55.465 54.000 0.218 0.000 0.897 49 D CB 1.165 42.148 40.800 0.304 0.000 1.197 49 D HN 0.630 nan 8.370 nan 0.000 0.432 50 T N -3.355 111.232 114.554 0.056 0.000 2.812 50 T HA 0.573 4.938 4.350 0.025 0.000 0.294 50 T C 0.692 175.027 174.700 -0.609 0.000 1.159 50 T CA -0.916 61.042 62.100 -0.236 0.000 1.008 50 T CB 1.463 70.144 68.868 -0.312 0.000 1.289 50 T HN 0.190 nan 8.240 nan 0.000 0.514 51 G N -0.093 108.203 108.800 -0.841 0.000 3.440 51 G HA2 0.205 4.180 3.960 0.025 0.000 0.263 51 G HA3 0.205 4.180 3.960 0.025 0.000 0.263 51 G C 0.446 175.073 174.900 -0.454 0.000 1.236 51 G CA -0.234 44.232 45.100 -1.057 0.000 0.927 51 G HN 0.730 nan 8.290 nan 0.000 0.530 52 D N 0.064 120.368 120.400 -0.160 0.000 2.144 52 D HA -0.094 4.561 4.640 0.025 0.000 0.199 52 D C 2.372 178.631 176.300 -0.068 0.000 0.984 52 D CA 0.953 54.945 54.000 -0.013 0.000 0.834 52 D CB 0.415 41.252 40.800 0.062 0.000 0.955 52 D HN 0.292 nan 8.370 nan 0.000 0.465 53 V N -0.654 119.201 119.914 -0.097 0.000 2.948 53 V HA 0.388 4.523 4.120 0.025 0.000 0.234 53 V C 1.302 177.350 176.094 -0.077 0.000 1.205 53 V CA 0.562 62.814 62.300 -0.080 0.000 1.234 53 V CB -0.250 31.518 31.823 -0.091 0.000 1.020 53 V HN 0.296 nan 8.190 nan 0.000 0.491 54 A N 0.367 123.124 122.820 -0.104 0.000 5.391 54 A HA -0.370 3.965 4.320 0.025 0.000 0.315 54 A C 1.328 178.950 177.584 0.062 0.000 1.874 54 A CA 1.797 53.842 52.037 0.014 0.000 0.714 54 A CB -2.038 16.963 19.000 0.002 0.000 1.335 54 A HN 0.822 nan 8.150 nan 0.000 0.382 55 C N -0.005 119.389 119.300 0.156 0.000 2.625 55 C HA 0.474 4.949 4.460 0.025 0.000 0.285 55 C C 0.947 176.020 174.990 0.138 0.000 1.279 55 C CA 0.878 59.999 59.018 0.172 0.000 1.698 55 C CB -1.338 26.494 27.740 0.155 0.000 1.821 55 C HN 1.089 nan 8.230 nan 0.000 0.600 56 D N 0.618 121.088 120.400 0.118 0.000 2.737 56 D HA -0.279 4.376 4.640 0.025 0.000 0.233 56 D C 0.673 177.093 176.300 0.201 0.000 1.155 56 D CA 1.012 55.089 54.000 0.128 0.000 0.667 56 D CB -1.480 39.367 40.800 0.078 0.000 1.060 56 D HN 0.770 nan 8.370 nan 0.000 0.427 57 H N -1.446 117.723 119.070 0.166 0.000 2.491 57 H HA -0.100 4.471 4.556 0.025 0.000 0.290 57 H C 1.655 177.233 175.328 0.416 0.000 1.050 57 H CA 1.753 57.949 56.048 0.246 0.000 1.309 57 H CB -0.149 29.752 29.762 0.232 0.000 1.392 57 H HN 0.455 nan 8.280 nan 0.000 0.554 58 Y N 0.486 120.916 120.300 0.216 0.000 2.256 58 Y HA -0.207 4.358 4.550 0.025 0.000 0.288 58 Y C 1.539 177.587 175.900 0.246 0.000 1.155 58 Y CA 1.822 59.947 58.100 0.041 0.000 1.203 58 Y CB -0.010 38.320 38.460 -0.218 0.000 0.980 58 Y HN 0.353 nan 8.280 nan 0.000 0.530 59 N N -0.799 118.038 118.700 0.229 0.000 2.414 59 N HA 0.078 4.833 4.740 0.025 0.000 0.177 59 N C 0.801 176.320 175.510 0.015 0.000 1.062 59 N CA 0.449 53.583 53.050 0.140 0.000 0.890 59 N CB 0.140 38.688 38.487 0.102 0.000 1.070 59 N HN 0.323 nan 8.380 nan 0.000 0.454 60 R N 0.936 121.425 120.500 -0.019 0.000 2.552 60 R HA 0.144 4.499 4.340 0.025 0.000 0.314 60 R C 1.420 177.535 176.300 -0.309 0.000 1.041 60 R CA -0.309 55.684 56.100 -0.177 0.000 1.076 60 R CB -0.042 30.219 30.300 -0.065 0.000 1.290 60 R HN 0.327 nan 8.270 nan 0.000 0.563 61 W N 0.154 121.204 121.300 -0.418 0.000 2.338 61 W HA -0.181 4.494 4.660 0.025 0.000 0.304 61 W C 1.312 177.640 176.519 -0.319 0.000 1.212 61 W CA 0.908 57.840 57.345 -0.688 0.000 1.264 61 W CB -1.086 27.925 29.460 -0.749 0.000 1.142 61 W HN -0.073 nan 8.180 nan 0.000 0.512 62 K N 1.288 121.004 120.400 -1.140 0.000 2.002 62 K HA -0.252 4.083 4.320 0.025 0.000 0.209 62 K C 2.099 178.443 176.600 -0.427 0.000 1.048 62 K CA 2.084 57.832 56.287 -0.898 0.000 0.930 62 K CB -0.971 30.795 32.500 -1.224 0.000 0.714 62 K HN 0.456 nan 8.250 nan 0.000 0.438 63 E N -0.045 119.926 120.200 -0.380 0.000 2.070 63 E HA -0.267 4.097 4.350 0.025 0.000 0.197 63 E C 1.699 178.209 176.600 -0.150 0.000 1.004 63 E CA 2.044 58.312 56.400 -0.220 0.000 0.805 63 E CB -0.315 29.277 29.700 -0.181 0.000 0.744 63 E HN 0.472 nan 8.360 nan 0.000 0.451 64 D N 0.364 120.695 120.400 -0.116 0.000 2.117 64 D HA -0.148 4.507 4.640 0.025 0.000 0.197 64 D C 2.074 178.306 176.300 -0.114 0.000 0.987 64 D CA 1.054 55.023 54.000 -0.052 0.000 0.829 64 D CB -0.198 40.675 40.800 0.122 0.000 0.961 64 D HN 0.343 nan 8.370 nan 0.000 0.460 65 I N 0.905 121.402 120.570 -0.121 0.000 2.315 65 I HA -0.190 3.995 4.170 0.025 0.000 0.248 65 I C 2.180 178.226 176.117 -0.118 0.000 1.117 65 I CA 0.904 62.112 61.300 -0.153 0.000 1.404 65 I CB -0.152 37.797 38.000 -0.084 0.000 1.071 65 I HN -0.057 nan 8.210 nan 0.000 0.419 66 E N 0.954 121.086 120.200 -0.113 0.000 2.118 66 E HA -0.212 4.153 4.350 0.025 0.000 0.195 66 E C 2.258 178.812 176.600 -0.077 0.000 0.992 66 E CA 1.254 57.599 56.400 -0.092 0.000 0.804 66 E CB -0.088 29.549 29.700 -0.105 0.000 0.741 66 E HN 0.502 nan 8.360 nan 0.000 0.458 67 I N 0.816 121.335 120.570 -0.086 0.000 2.226 67 I HA -0.282 3.902 4.170 0.025 0.000 0.245 67 I C 2.281 178.357 176.117 -0.067 0.000 1.100 67 I CA 1.062 62.319 61.300 -0.072 0.000 1.374 67 I CB -0.302 37.651 38.000 -0.078 0.000 1.057 67 I HN 0.114 nan 8.210 nan 0.000 0.413 68 I N 0.688 121.202 120.570 -0.093 0.000 2.163 68 I HA -0.323 3.862 4.170 0.025 0.000 0.243 68 I C 2.650 178.744 176.117 -0.039 0.000 1.085 68 I CA 1.628 62.883 61.300 -0.074 0.000 1.347 68 I CB -0.512 37.406 38.000 -0.137 0.000 1.044 68 I HN 0.305 nan 8.210 nan 0.000 0.408 69 E N 1.240 121.413 120.200 -0.045 0.000 2.058 69 E HA -0.300 4.065 4.350 0.025 0.000 0.194 69 E C 2.416 179.003 176.600 -0.021 0.000 0.997 69 E CA 1.959 58.343 56.400 -0.027 0.000 0.801 69 E CB 0.029 29.710 29.700 -0.032 0.000 0.746 69 E HN 0.163 nan 8.360 nan 0.000 0.450 70 K N 0.146 120.532 120.400 -0.023 0.000 2.147 70 K HA -0.031 4.304 4.320 0.025 0.000 0.205 70 K C 1.985 178.587 176.600 0.003 0.000 1.049 70 K CA 1.147 57.429 56.287 -0.008 0.000 0.936 70 K CB -0.437 32.061 32.500 -0.003 0.000 0.722 70 K HN 0.326 nan 8.250 nan 0.000 0.446 71 L N -0.696 120.524 121.223 -0.005 0.000 2.591 71 L HA 0.271 4.626 4.340 0.025 0.000 0.228 71 L C 1.642 178.491 176.870 -0.034 0.000 1.133 71 L CA 0.613 55.451 54.840 -0.004 0.000 0.880 71 L CB -0.204 41.858 42.059 0.005 0.000 1.033 71 L HN 0.563 nan 8.230 nan 0.000 0.450 72 G N 0.571 109.354 108.800 -0.028 0.000 2.168 72 G HA2 -0.273 3.702 3.960 0.025 0.000 0.257 72 G HA3 -0.273 3.702 3.960 0.025 0.000 0.257 72 G C 0.363 175.239 174.900 -0.041 0.000 0.997 72 G CA 0.232 45.310 45.100 -0.037 0.000 0.708 72 G HN 0.147 nan 8.290 nan 0.000 0.520 73 V N 0.063 119.967 119.914 -0.017 0.000 2.673 73 V HA 0.188 4.323 4.120 0.025 0.000 0.303 73 V C 1.688 177.813 176.094 0.050 0.000 1.046 73 V CA 1.124 63.437 62.300 0.020 0.000 1.126 73 V CB 1.292 33.183 31.823 0.113 0.000 0.934 73 V HN 0.294 nan 8.190 nan 0.000 0.487 74 K N 2.406 122.846 120.400 0.067 0.000 2.356 74 K HA 0.455 4.790 4.320 0.025 0.000 0.195 74 K C 0.380 177.029 176.600 0.082 0.000 1.037 74 K CA 0.684 57.012 56.287 0.070 0.000 1.014 74 K CB 0.913 33.460 32.500 0.079 0.000 0.815 74 K HN 0.923 nan 8.250 nan 0.000 0.507 75 A N 0.012 122.874 122.820 0.069 0.000 2.515 75 A HA 0.763 5.098 4.320 0.025 0.000 0.296 75 A C -1.837 175.956 177.584 0.349 0.000 1.094 75 A CA -0.646 51.484 52.037 0.155 0.000 0.718 75 A CB 1.240 20.220 19.000 -0.033 0.000 1.307 75 A HN 0.273 nan 8.150 nan 0.000 0.408 76 Y N 1.188 121.687 120.300 0.332 0.000 2.322 76 Y HA 0.540 5.105 4.550 0.025 0.000 0.324 76 Y C -0.166 176.003 175.900 0.448 0.000 1.027 76 Y CA -0.930 57.385 58.100 0.358 0.000 1.179 76 Y CB 1.237 39.845 38.460 0.246 0.000 1.136 76 Y HN 0.765 nan 8.280 nan 0.000 0.449 77 R N 7.310 127.924 120.500 0.191 0.000 2.202 77 R HA 0.502 4.857 4.340 0.025 0.000 0.334 77 R C -1.624 174.464 176.300 -0.354 0.000 1.036 77 R CA -0.218 55.770 56.100 -0.187 0.000 0.878 77 R CB 0.099 30.122 30.300 -0.461 0.000 1.067 77 R HN 0.545 nan 8.270 nan 0.000 0.457 78 F N 1.054 120.654 119.950 -0.584 0.000 2.613 78 F HA 0.603 5.145 4.527 0.025 0.000 0.314 78 F C -0.873 174.790 175.800 -0.228 0.000 1.075 78 F CA -1.160 56.529 58.000 -0.518 0.000 0.945 78 F CB 1.365 39.899 39.000 -0.777 0.000 1.310 78 F HN 0.384 nan 8.300 nan 0.000 0.467 79 S N 1.781 117.468 115.700 -0.021 0.000 2.638 79 S HA 0.786 5.271 4.470 0.025 0.000 0.298 79 S C -0.837 173.795 174.600 0.052 0.000 1.111 79 S CA -0.727 57.450 58.200 -0.039 0.000 1.027 79 S CB 1.389 64.640 63.200 0.085 0.000 1.064 79 S HN 0.719 nan 8.310 nan 0.000 0.525 80 I N 2.087 122.627 120.570 -0.051 0.000 2.359 80 I HA 0.279 4.464 4.170 0.025 0.000 0.294 80 I C 0.412 176.674 176.117 0.241 0.000 0.987 80 I CA -0.506 60.677 61.300 -0.194 0.000 1.225 80 I CB 1.933 39.732 38.000 -0.336 0.000 1.366 80 I HN 0.770 nan 8.210 nan 0.000 0.466 81 S N 6.705 122.652 115.700 0.412 0.000 2.429 81 S HA -0.029 4.456 4.470 0.025 0.000 0.292 81 S C 0.965 175.856 174.600 0.485 0.000 1.183 81 S CA -0.326 58.164 58.200 0.483 0.000 1.088 81 S CB 0.059 63.557 63.200 0.497 0.000 1.018 81 S HN 0.694 nan 8.310 nan 0.000 0.511 82 W N 7.426 128.840 121.300 0.189 0.000 2.290 82 W HA -0.110 4.565 4.660 0.024 0.000 0.328 82 W C -1.311 175.174 176.519 -0.057 0.000 1.272 82 W CA 1.728 58.951 57.345 -0.203 0.000 1.262 82 W CB -1.795 27.424 29.460 -0.403 0.000 1.151 82 W HN 0.626 nan 8.180 nan 0.000 0.473 83 P HA -0.099 nan 4.420 nan 0.000 0.237 83 P C 1.422 178.829 177.300 0.179 0.000 1.178 83 P CA 1.349 64.536 63.100 0.146 0.000 0.766 83 P CB -0.313 31.430 31.700 0.071 0.000 0.876 84 R N -0.590 120.071 120.500 0.268 0.000 2.119 84 R HA 0.035 4.390 4.340 0.025 0.000 0.222 84 R C 2.032 178.515 176.300 0.305 0.000 1.088 84 R CA 0.875 57.141 56.100 0.277 0.000 0.984 84 R CB -0.216 30.322 30.300 0.397 0.000 0.884 84 R HN 0.205 nan 8.270 nan 0.000 0.447 85 I N 0.147 120.932 120.570 0.358 0.000 2.494 85 I HA 0.001 4.186 4.170 0.025 0.000 0.250 85 I C 0.801 177.066 176.117 0.246 0.000 1.112 85 I CA 0.941 62.441 61.300 0.334 0.000 1.438 85 I CB -0.187 38.060 38.000 0.413 0.000 1.111 85 I HN 0.020 nan 8.210 nan 0.000 0.431 86 L N 1.811 123.190 121.223 0.260 0.000 2.417 86 L HA 0.277 4.632 4.340 0.025 0.000 0.259 86 L C -1.829 175.108 176.870 0.112 0.000 1.023 86 L CA -1.161 53.795 54.840 0.194 0.000 0.901 86 L CB 1.871 44.095 42.059 0.276 0.000 1.227 86 L HN -0.151 nan 8.230 nan 0.000 0.454 87 P HA -0.123 nan 4.420 nan 0.000 0.222 87 P C 0.683 177.958 177.300 -0.040 0.000 1.147 87 P CA 1.142 64.254 63.100 0.019 0.000 0.790 87 P CB 0.339 32.050 31.700 0.019 0.000 0.780 88 E N -1.772 118.394 120.200 -0.056 0.000 2.463 88 E HA 0.206 4.571 4.350 0.025 0.000 0.193 88 E C 1.376 177.843 176.600 -0.222 0.000 1.041 88 E CA 0.320 56.646 56.400 -0.123 0.000 0.879 88 E CB -0.242 29.400 29.700 -0.097 0.000 0.997 88 E HN 0.126 nan 8.360 nan 0.000 0.478 89 G N 1.613 110.284 108.800 -0.215 0.000 2.550 89 G HA2 -0.352 3.623 3.960 0.025 0.000 0.233 89 G HA3 -0.352 3.623 3.960 0.025 0.000 0.233 89 G C 0.714 175.622 174.900 0.013 0.000 1.170 89 G CA 0.905 45.809 45.100 -0.327 0.000 0.693 89 G HN 0.439 nan 8.290 nan 0.000 0.512 90 T N -3.159 111.352 114.554 -0.071 0.000 2.838 90 T HA 0.841 5.206 4.350 0.025 0.000 0.292 90 T C 1.226 175.932 174.700 0.010 0.000 1.113 90 T CA 0.846 62.961 62.100 0.025 0.000 1.008 90 T CB 1.849 70.697 68.868 -0.033 0.000 1.259 90 T HN 2.331 nan 8.240 nan 0.000 0.520 91 G N 1.471 110.293 108.800 0.036 0.000 2.650 91 G HA2 -0.221 3.754 3.960 0.025 0.000 0.264 91 G HA3 -0.221 3.754 3.960 0.025 0.000 0.264 91 G C -0.063 174.856 174.900 0.032 0.000 1.263 91 G CA -0.003 45.111 45.100 0.022 0.000 0.960 91 G HN 1.010 nan 8.290 nan 0.000 0.548 92 R N 0.536 121.050 120.500 0.024 0.000 2.484 92 R HA 0.411 4.766 4.340 0.025 0.000 0.293 92 R C 0.135 176.465 176.300 0.050 0.000 1.023 92 R CA -0.053 56.065 56.100 0.030 0.000 1.037 92 R CB 0.218 30.531 30.300 0.021 0.000 0.951 92 R HN 0.441 nan 8.270 nan 0.000 0.418 93 V N 4.592 124.538 119.914 0.053 0.000 2.546 93 V HA 0.058 4.193 4.120 0.025 0.000 0.284 93 V C 0.234 176.375 176.094 0.079 0.000 1.050 93 V CA -0.594 61.749 62.300 0.073 0.000 0.981 93 V CB 1.336 33.191 31.823 0.054 0.000 0.990 93 V HN 0.745 nan 8.190 nan 0.000 0.474 94 N N 3.102 121.868 118.700 0.110 0.000 2.462 94 N HA 0.152 4.907 4.740 0.025 0.000 0.242 94 N C 0.720 176.309 175.510 0.131 0.000 1.010 94 N CA -0.237 52.881 53.050 0.112 0.000 0.939 94 N CB 1.450 40.012 38.487 0.126 0.000 1.127 94 N HN 0.647 nan 8.380 nan 0.000 0.509 95 Q N 3.675 123.537 119.800 0.104 0.000 2.096 95 Q HA -0.110 4.245 4.340 0.025 0.000 0.204 95 Q C 0.896 176.978 176.000 0.135 0.000 0.982 95 Q CA 1.854 57.722 55.803 0.108 0.000 0.850 95 Q CB 0.135 28.920 28.738 0.079 0.000 0.901 95 Q HN 0.581 nan 8.270 nan 0.000 0.422 96 K N -1.110 119.367 120.400 0.127 0.000 2.211 96 K HA -0.039 4.296 4.320 0.025 0.000 0.203 96 K C 1.906 178.623 176.600 0.195 0.000 1.050 96 K CA 0.976 57.346 56.287 0.138 0.000 0.945 96 K CB -0.218 32.352 32.500 0.117 0.000 0.732 96 K HN 0.395 nan 8.250 nan 0.000 0.451 97 G N 1.525 110.465 108.800 0.233 0.000 2.394 97 G HA2 -0.166 3.809 3.960 0.025 0.000 0.215 97 G HA3 -0.166 3.809 3.960 0.025 0.000 0.215 97 G C 1.547 176.727 174.900 0.466 0.000 1.165 97 G CA 0.141 45.447 45.100 0.344 0.000 0.784 97 G HN 0.066 nan 8.290 nan 0.000 0.535 98 L N 0.596 122.058 121.223 0.398 0.000 2.012 98 L HA -0.098 4.257 4.340 0.025 0.000 0.210 98 L C 2.573 179.679 176.870 0.393 0.000 1.073 98 L CA 1.317 56.444 54.840 0.480 0.000 0.748 98 L CB -0.422 41.801 42.059 0.274 0.000 0.891 98 L HN 0.109 nan 8.230 nan 0.000 0.431 99 D N -0.215 120.321 120.400 0.227 0.000 2.104 99 D HA -0.241 4.414 4.640 0.025 0.000 0.194 99 D C 1.871 178.162 176.300 -0.014 0.000 0.994 99 D CA 1.245 55.308 54.000 0.106 0.000 0.830 99 D CB -0.352 40.494 40.800 0.077 0.000 0.959 99 D HN 0.186 nan 8.370 nan 0.000 0.452 100 F N 0.620 120.460 119.950 -0.184 0.000 2.065 100 F HA -0.292 4.250 4.527 0.025 0.000 0.298 100 F C 2.060 177.509 175.800 -0.586 0.000 1.112 100 F CA 1.493 59.194 58.000 -0.498 0.000 1.212 100 F CB -0.583 38.101 39.000 -0.527 0.000 0.975 100 F HN -0.034 nan 8.300 nan 0.000 0.476 101 Y N 0.130 120.291 120.300 -0.232 0.000 2.337 101 Y HA -0.106 4.460 4.550 0.025 0.000 0.293 101 Y C 2.466 178.064 175.900 -0.503 0.000 1.123 101 Y CA 1.181 59.017 58.100 -0.439 0.000 1.201 101 Y CB -1.137 37.171 38.460 -0.253 0.000 1.011 101 Y HN 0.072 nan 8.280 nan 0.000 0.545 102 N N 0.469 119.079 118.700 -0.151 0.000 2.069 102 N HA -0.169 4.586 4.740 0.025 0.000 0.191 102 N C 1.858 177.255 175.510 -0.189 0.000 1.031 102 N CA 1.339 54.340 53.050 -0.081 0.000 0.852 102 N CB -0.304 38.258 38.487 0.126 0.000 1.018 102 N HN 0.359 nan 8.380 nan 0.000 0.423 103 R N 0.439 120.738 120.500 -0.336 0.000 2.091 103 R HA -0.034 4.321 4.340 0.025 0.000 0.238 103 R C 2.311 178.323 176.300 -0.480 0.000 1.136 103 R CA 0.947 56.788 56.100 -0.432 0.000 0.959 103 R CB -0.360 29.478 30.300 -0.770 0.000 0.856 103 R HN 0.285 nan 8.270 nan 0.000 0.437 104 I N 0.493 120.648 120.570 -0.692 0.000 2.252 104 I HA -0.266 3.919 4.170 0.025 0.000 0.245 104 I C 2.274 178.240 176.117 -0.252 0.000 1.102 104 I CA 1.283 62.283 61.300 -0.499 0.000 1.385 104 I CB -0.178 37.404 38.000 -0.697 0.000 1.064 104 I HN 0.114 nan 8.210 nan 0.000 0.414 105 I N 0.569 121.008 120.570 -0.219 0.000 2.226 105 I HA -0.302 3.883 4.170 0.025 0.000 0.245 105 I C 2.065 178.168 176.117 -0.022 0.000 1.100 105 I CA 1.381 62.635 61.300 -0.077 0.000 1.374 105 I CB -0.407 37.542 38.000 -0.085 0.000 1.057 105 I HN 0.232 nan 8.210 nan 0.000 0.413 106 D N 0.307 120.687 120.400 -0.034 0.000 2.097 106 D HA -0.133 4.522 4.640 0.025 0.000 0.197 106 D C 2.231 178.549 176.300 0.030 0.000 0.984 106 D CA 1.635 55.642 54.000 0.012 0.000 0.826 106 D CB -0.466 40.343 40.800 0.014 0.000 0.973 106 D HN 0.259 nan 8.370 nan 0.000 0.460 107 T N 1.472 116.050 114.554 0.040 0.000 2.720 107 T HA -0.113 4.252 4.350 0.025 0.000 0.268 107 T C 2.269 176.998 174.700 0.050 0.000 1.037 107 T CA 0.650 62.795 62.100 0.075 0.000 1.144 107 T CB -0.342 68.632 68.868 0.177 0.000 0.864 107 T HN 0.108 nan 8.240 nan 0.000 0.444 108 L N -0.046 121.203 121.223 0.042 0.000 2.017 108 L HA -0.092 4.263 4.340 0.025 0.000 0.208 108 L C 2.429 179.339 176.870 0.067 0.000 1.073 108 L CA 0.906 55.783 54.840 0.062 0.000 0.745 108 L CB -0.533 41.586 42.059 0.100 0.000 0.894 108 L HN 0.193 nan 8.230 nan 0.000 0.432 109 L N -0.247 121.014 121.223 0.063 0.000 2.046 109 L HA -0.226 4.129 4.340 0.025 0.000 0.208 109 L C 2.499 179.399 176.870 0.050 0.000 1.077 109 L CA 1.605 56.481 54.840 0.061 0.000 0.747 109 L CB -0.718 41.376 42.059 0.058 0.000 0.896 109 L HN 0.251 nan 8.230 nan 0.000 0.432 110 E N -0.347 119.879 120.200 0.043 0.000 2.130 110 E HA -0.250 4.115 4.350 0.025 0.000 0.196 110 E C 1.387 178.005 176.600 0.030 0.000 0.998 110 E CA 1.323 57.743 56.400 0.035 0.000 0.806 110 E CB 0.105 29.825 29.700 0.033 0.000 0.738 110 E HN 0.434 nan 8.360 nan 0.000 0.459 111 K N -1.205 119.214 120.400 0.031 0.000 2.372 111 K HA 0.154 4.489 4.320 0.025 0.000 0.200 111 K C 0.620 177.240 176.600 0.033 0.000 1.022 111 K CA 0.429 56.731 56.287 0.024 0.000 1.125 111 K CB 1.068 33.576 32.500 0.013 0.000 0.855 111 K HN 0.206 nan 8.250 nan 0.000 0.524 112 G N 2.304 111.131 108.800 0.044 0.000 2.221 112 G HA2 -0.266 3.709 3.960 0.025 0.000 0.265 112 G HA3 -0.266 3.709 3.960 0.025 0.000 0.265 112 G C -0.047 174.893 174.900 0.068 0.000 1.041 112 G CA 0.011 45.143 45.100 0.053 0.000 0.807 112 G HN 0.288 nan 8.290 nan 0.000 0.502 113 I N 1.115 121.735 120.570 0.082 0.000 2.336 113 I HA 0.307 4.492 4.170 0.025 0.000 0.292 113 I C 0.629 176.840 176.117 0.156 0.000 0.991 113 I CA -0.606 60.763 61.300 0.115 0.000 1.227 113 I CB 1.668 39.737 38.000 0.116 0.000 1.366 113 I HN 0.000 nan 8.210 nan 0.000 0.466 114 T N 8.012 122.676 114.554 0.184 0.000 2.737 114 T HA 0.221 4.586 4.350 0.025 0.000 0.296 114 T C -2.362 172.528 174.700 0.316 0.000 0.922 114 T CA -1.058 61.174 62.100 0.220 0.000 1.079 114 T CB 0.294 69.307 68.868 0.242 0.000 0.892 114 T HN 0.345 nan 8.240 nan 0.000 0.514 115 P HA 0.321 nan 4.420 nan 0.000 0.282 115 P C -1.007 176.338 177.300 0.075 0.000 1.262 115 P CA -0.511 62.741 63.100 0.252 0.000 0.773 115 P CB 0.323 32.144 31.700 0.201 0.000 0.879 116 F N 2.914 122.755 119.950 -0.181 0.000 2.347 116 F HA 0.226 4.767 4.527 0.025 0.000 0.366 116 F C 0.208 175.619 175.800 -0.647 0.000 1.107 116 F CA -0.716 57.048 58.000 -0.393 0.000 1.058 116 F CB 1.388 40.152 39.000 -0.392 0.000 1.236 116 F HN 0.012 nan 8.300 nan 0.000 0.456 117 V N 3.571 123.037 119.914 -0.748 0.000 2.364 117 V HA 0.271 4.406 4.120 0.025 0.000 0.272 117 V C 0.094 175.924 176.094 -0.439 0.000 1.036 117 V CA -0.570 61.176 62.300 -0.924 0.000 0.880 117 V CB 1.384 32.453 31.823 -1.257 0.000 0.991 117 V HN 0.667 nan 8.190 nan 0.000 0.460 118 T N 6.878 121.234 114.554 -0.330 0.000 2.729 118 T HA 0.372 4.737 4.350 0.025 0.000 0.296 118 T C 1.435 176.157 174.700 0.036 0.000 0.928 118 T CA -0.127 61.936 62.100 -0.062 0.000 1.045 118 T CB 0.798 69.681 68.868 0.025 0.000 0.902 118 T HN 0.419 nan 8.240 nan 0.000 0.500 119 I N 1.733 122.404 120.570 0.167 0.000 2.252 119 I HA -0.070 4.115 4.170 0.025 0.000 0.245 119 I C 0.418 176.835 176.117 0.500 0.000 1.102 119 I CA 1.245 62.670 61.300 0.208 0.000 1.385 119 I CB 0.087 38.129 38.000 0.070 0.000 1.064 119 I HN 0.558 nan 8.210 nan 0.000 0.414 120 Y N 0.001 120.553 120.300 0.420 0.000 2.349 120 Y HA 0.336 4.900 4.550 0.024 0.000 0.324 120 Y C -0.344 175.794 175.900 0.397 0.000 1.005 120 Y CA -0.934 57.500 58.100 0.556 0.000 1.240 120 Y CB 0.602 39.504 38.460 0.737 0.000 1.117 120 Y HN 0.022 nan 8.280 nan 0.000 0.463 121 H N 6.233 125.190 119.070 -0.189 0.000 2.534 121 H HA 0.215 4.786 4.556 0.025 0.000 0.250 121 H C -0.795 174.281 175.328 -0.419 0.000 1.256 121 H CA -0.069 55.755 56.048 -0.374 0.000 1.000 121 H CB 0.077 29.690 29.762 -0.248 0.000 1.801 121 H HN 0.840 nan 8.280 nan 0.000 0.569 122 W N -0.270 120.528 121.300 -0.837 0.000 0.993 122 W HA -0.205 4.470 4.660 0.024 0.000 0.236 122 W C -0.338 176.216 176.519 0.058 0.000 0.980 122 W CA 0.562 57.652 57.345 -0.425 0.000 0.372 122 W CB -2.021 27.253 29.460 -0.310 0.000 1.986 122 W HN 0.549 nan 8.180 nan 0.000 1.080 123 D N 1.565 122.130 120.400 0.275 0.000 2.741 123 D HA 0.393 5.048 4.640 0.025 0.000 0.233 123 D C 0.329 176.909 176.300 0.466 0.000 1.160 123 D CA -0.257 54.003 54.000 0.434 0.000 1.003 123 D CB -0.368 40.676 40.800 0.407 0.000 1.064 123 D HN 0.098 nan 8.370 nan 0.000 0.503 124 L N 1.151 122.709 121.223 0.559 0.000 2.485 124 L HA 0.234 4.589 4.340 0.025 0.000 0.275 124 L C -2.338 174.539 176.870 0.011 0.000 1.207 124 L CA -1.261 53.787 54.840 0.347 0.000 0.855 124 L CB 0.257 42.469 42.059 0.254 0.000 1.114 124 L HN -0.004 nan 8.230 nan 0.000 0.485 125 P HA -0.064 nan 4.420 nan 0.000 0.264 125 P C 0.182 177.373 177.300 -0.183 0.000 1.193 125 P CA 0.250 63.175 63.100 -0.292 0.000 0.763 125 P CB 0.211 31.551 31.700 -0.600 0.000 0.810 126 F N 4.974 124.826 119.950 -0.164 0.000 2.120 126 F HA -0.302 4.240 4.527 0.025 0.000 0.300 126 F C 2.143 177.831 175.800 -0.186 0.000 1.095 126 F CA 2.206 60.127 58.000 -0.132 0.000 1.249 126 F CB -0.811 38.148 39.000 -0.069 0.000 0.995 126 F HN 0.377 nan 8.300 nan 0.000 0.480 127 A N 0.282 122.954 122.820 -0.247 0.000 1.948 127 A HA -0.194 4.141 4.320 0.025 0.000 0.220 127 A C 2.310 179.590 177.584 -0.506 0.000 1.177 127 A CA 2.041 53.864 52.037 -0.355 0.000 0.636 127 A CB -1.124 17.713 19.000 -0.271 0.000 0.815 127 A HN 0.511 nan 8.150 nan 0.000 0.449 128 L N -1.604 119.269 121.223 -0.582 0.000 2.179 128 L HA -0.124 4.231 4.340 0.025 0.000 0.208 128 L C 2.731 179.331 176.870 -0.449 0.000 1.096 128 L CA 1.263 55.679 54.840 -0.706 0.000 0.779 128 L CB -0.458 41.096 42.059 -0.841 0.000 0.922 128 L HN 0.422 nan 8.230 nan 0.000 0.443 129 Q N 1.014 120.567 119.800 -0.412 0.000 2.124 129 Q HA -0.164 4.191 4.340 0.025 0.000 0.202 129 Q C 2.138 177.930 176.000 -0.347 0.000 0.977 129 Q CA 1.634 57.251 55.803 -0.310 0.000 0.850 129 Q CB -0.355 28.215 28.738 -0.281 0.000 0.901 129 Q HN 0.463 nan 8.270 nan 0.000 0.429 130 L N -0.127 120.782 121.223 -0.523 0.000 2.187 130 L HA -0.163 4.192 4.340 0.025 0.000 0.213 130 L C 1.552 178.288 176.870 -0.223 0.000 1.100 130 L CA 1.301 55.900 54.840 -0.401 0.000 0.765 130 L CB -0.259 41.534 42.059 -0.445 0.000 0.904 130 L HN 0.129 nan 8.230 nan 0.000 0.437 131 K N -0.337 119.939 120.400 -0.207 0.000 2.446 131 K HA 0.223 4.558 4.320 0.025 0.000 0.203 131 K C 1.085 177.738 176.600 0.088 0.000 1.027 131 K CA 0.499 56.757 56.287 -0.049 0.000 1.166 131 K CB 0.633 33.084 32.500 -0.082 0.000 0.869 131 K HN 0.331 nan 8.250 nan 0.000 0.504 132 G N 0.575 109.380 108.800 0.009 0.000 2.213 132 G HA2 -0.282 3.693 3.960 0.025 0.000 0.236 132 G HA3 -0.282 3.693 3.960 0.025 0.000 0.236 132 G C 0.692 175.622 174.900 0.050 0.000 0.991 132 G CA -0.023 45.100 45.100 0.038 0.000 0.629 132 G HN 0.607 nan 8.290 nan 0.000 0.517 133 G N -0.299 108.533 108.800 0.052 0.000 2.611 133 G HA2 -0.356 3.619 3.960 0.025 0.000 0.301 133 G HA3 -0.356 3.619 3.960 0.025 0.000 0.301 133 G C 0.939 175.748 174.900 -0.151 0.000 1.233 133 G CA 1.200 46.256 45.100 -0.074 0.000 0.993 133 G HN 1.105 nan 8.290 nan 0.000 0.553 134 W N 1.256 122.573 121.300 0.027 0.000 2.525 134 W HA 0.315 4.991 4.660 0.026 0.000 0.259 134 W C 2.918 179.339 176.519 -0.164 0.000 1.253 134 W CA 1.235 58.514 57.345 -0.110 0.000 1.262 134 W CB -0.244 29.101 29.460 -0.192 0.000 1.122 134 W HN 0.723 nan 8.180 nan 0.000 0.607 135 A N -0.047 122.790 122.820 0.027 0.000 2.066 135 A HA -0.103 4.232 4.320 0.025 0.000 0.218 135 A C 1.128 178.704 177.584 -0.014 0.000 1.157 135 A CA 0.713 52.746 52.037 -0.007 0.000 0.670 135 A CB -0.471 18.536 19.000 0.012 0.000 0.804 135 A HN 0.111 nan 8.150 nan 0.000 0.453 136 N N 0.115 118.779 118.700 -0.059 0.000 2.419 136 N HA 0.170 4.925 4.740 0.025 0.000 0.264 136 N C 0.776 176.143 175.510 -0.238 0.000 1.031 136 N CA -0.267 52.704 53.050 -0.132 0.000 0.951 136 N CB 0.645 39.053 38.487 -0.130 0.000 1.101 136 N HN 0.265 nan 8.380 nan 0.000 0.488 137 R N 2.014 122.422 120.500 -0.154 0.000 2.170 137 R HA -0.183 4.172 4.340 0.025 0.000 0.242 137 R C 1.184 177.299 176.300 -0.310 0.000 1.145 137 R CA 1.324 57.336 56.100 -0.147 0.000 0.984 137 R CB 0.069 30.332 30.300 -0.062 0.000 0.869 137 R HN 0.706 nan 8.270 nan 0.000 0.455 138 E N 0.905 120.808 120.200 -0.494 0.000 2.333 138 E HA -0.181 4.184 4.350 0.025 0.000 0.198 138 E C 1.770 177.525 176.600 -1.410 0.000 1.007 138 E CA 0.487 56.414 56.400 -0.789 0.000 0.845 138 E CB -0.086 29.206 29.700 -0.679 0.000 0.766 138 E HN 0.332 nan 8.360 nan 0.000 0.507 139 I N 0.199 119.958 120.570 -1.352 0.000 2.423 139 I HA -0.274 3.911 4.170 0.025 0.000 0.254 139 I C 2.073 178.021 176.117 -0.282 0.000 1.151 139 I CA 1.101 61.859 61.300 -0.903 0.000 1.421 139 I CB -0.056 37.592 38.000 -0.587 0.000 1.079 139 I HN 0.187 nan 8.210 nan 0.000 0.431 140 A N -0.149 122.542 122.820 -0.215 0.000 1.933 140 A HA -0.304 4.031 4.320 0.025 0.000 0.218 140 A C 1.987 179.594 177.584 0.037 0.000 1.175 140 A CA 2.278 54.313 52.037 -0.002 0.000 0.628 140 A CB -0.788 18.201 19.000 -0.018 0.000 0.814 140 A HN 0.547 nan 8.150 nan 0.000 0.444 141 D N -1.576 118.773 120.400 -0.086 0.000 2.103 141 D HA -0.148 4.507 4.640 0.025 0.000 0.199 141 D C 1.762 178.183 176.300 0.202 0.000 0.978 141 D CA 1.279 55.290 54.000 0.019 0.000 0.829 141 D CB -0.153 40.635 40.800 -0.019 0.000 0.981 141 D HN 0.563 nan 8.370 nan 0.000 0.464 142 W N 0.176 121.568 121.300 0.155 0.000 2.335 142 W HA -0.134 4.541 4.660 0.025 0.000 0.311 142 W C 2.181 178.909 176.519 0.349 0.000 1.213 142 W CA 0.234 57.733 57.345 0.257 0.000 1.274 142 W CB -1.716 27.896 29.460 0.255 0.000 1.148 142 W HN 0.060 nan 8.180 nan 0.000 0.498 143 F N 1.008 121.177 119.950 0.365 0.000 2.186 143 F HA -0.001 4.541 4.527 0.025 0.000 0.299 143 F C 2.369 178.156 175.800 -0.021 0.000 1.090 143 F CA 1.848 59.920 58.000 0.119 0.000 1.307 143 F CB -0.751 38.348 39.000 0.164 0.000 1.019 143 F HN -0.155 nan 8.300 nan 0.000 0.489 144 A N -0.057 122.803 122.820 0.066 0.000 1.902 144 A HA -0.164 4.171 4.320 0.025 0.000 0.217 144 A C 2.155 179.651 177.584 -0.146 0.000 1.181 144 A CA 1.806 53.805 52.037 -0.064 0.000 0.623 144 A CB -0.643 18.374 19.000 0.028 0.000 0.818 144 A HN 0.358 nan 8.150 nan 0.000 0.443 145 E N -1.193 118.992 120.200 -0.024 0.000 2.107 145 E HA -0.141 4.224 4.350 0.025 0.000 0.191 145 E C 1.809 178.345 176.600 -0.107 0.000 0.982 145 E CA 1.242 57.627 56.400 -0.025 0.000 0.809 145 E CB -0.618 29.135 29.700 0.088 0.000 0.756 145 E HN 0.771 nan 8.360 nan 0.000 0.459 146 Y N 2.017 122.129 120.300 -0.314 0.000 2.128 146 Y HA -0.206 4.358 4.550 0.025 0.000 0.284 146 Y C 2.390 177.861 175.900 -0.716 0.000 1.154 146 Y CA 1.679 59.446 58.100 -0.556 0.000 1.149 146 Y CB -0.598 37.202 38.460 -1.100 0.000 0.976 146 Y HN -0.101 nan 8.280 nan 0.000 0.505 147 S N 0.640 115.653 115.700 -1.145 0.000 2.370 147 S HA -0.234 4.251 4.470 0.025 0.000 0.226 147 S C 2.127 175.889 174.600 -1.397 0.000 1.033 147 S CA 1.461 58.758 58.200 -1.505 0.000 1.011 147 S CB -0.454 61.979 63.200 -1.278 0.000 0.852 147 S HN 0.497 nan 8.310 nan 0.000 0.457 148 R N 0.821 120.902 120.500 -0.698 0.000 2.083 148 R HA -0.119 4.236 4.340 0.025 0.000 0.237 148 R C 2.106 178.190 176.300 -0.360 0.000 1.137 148 R CA 1.621 57.505 56.100 -0.361 0.000 0.951 148 R CB -0.546 29.651 30.300 -0.170 0.000 0.851 148 R HN 0.277 nan 8.270 nan 0.000 0.434 149 V N 1.578 121.274 119.914 -0.363 0.000 2.287 149 V HA -0.287 3.848 4.120 0.025 0.000 0.248 149 V C 2.439 178.287 176.094 -0.410 0.000 1.053 149 V CA 1.872 63.998 62.300 -0.290 0.000 1.027 149 V CB -0.434 31.287 31.823 -0.169 0.000 0.646 149 V HN 0.358 nan 8.190 nan 0.000 0.447 150 L N -1.343 119.546 121.223 -0.557 0.000 2.012 150 L HA -0.176 4.179 4.340 0.025 0.000 0.210 150 L C 2.527 179.234 176.870 -0.271 0.000 1.073 150 L CA 1.665 56.232 54.840 -0.455 0.000 0.748 150 L CB -0.749 41.043 42.059 -0.446 0.000 0.891 150 L HN 0.260 nan 8.230 nan 0.000 0.431 151 F N 0.579 120.272 119.950 -0.429 0.000 2.102 151 F HA -0.165 4.377 4.527 0.025 0.000 0.298 151 F C 2.601 178.271 175.800 -0.217 0.000 1.105 151 F CA 0.964 58.716 58.000 -0.413 0.000 1.239 151 F CB -0.924 37.792 39.000 -0.473 0.000 0.991 151 F HN 0.125 nan 8.300 nan 0.000 0.474 152 E N -0.203 119.965 120.200 -0.054 0.000 2.106 152 E HA -0.156 4.209 4.350 0.025 0.000 0.192 152 E C 1.863 178.414 176.600 -0.081 0.000 0.984 152 E CA 1.016 57.376 56.400 -0.068 0.000 0.806 152 E CB -0.229 29.418 29.700 -0.089 0.000 0.750 152 E HN 0.451 nan 8.360 nan 0.000 0.458 153 N N -0.490 118.082 118.700 -0.214 0.000 2.395 153 N HA -0.017 4.738 4.740 0.025 0.000 0.175 153 N C 0.804 176.278 175.510 -0.060 0.000 1.029 153 N CA 0.793 53.670 53.050 -0.288 0.000 0.897 153 N CB 0.299 38.384 38.487 -0.669 0.000 0.991 153 N HN 0.112 nan 8.380 nan 0.000 0.441 154 F N -0.691 119.390 119.950 0.218 0.000 2.784 154 F HA 0.371 4.913 4.527 0.025 0.000 0.323 154 F C 2.160 178.190 175.800 0.382 0.000 1.085 154 F CA -0.588 57.590 58.000 0.296 0.000 1.196 154 F CB -0.545 38.681 39.000 0.377 0.000 1.053 154 F HN -0.133 nan 8.300 nan 0.000 0.578 155 G N 0.610 109.718 108.800 0.514 0.000 2.534 155 G HA2 -0.178 3.797 3.960 0.025 0.000 0.217 155 G HA3 -0.178 3.797 3.960 0.025 0.000 0.217 155 G C 1.368 176.424 174.900 0.262 0.000 1.128 155 G CA 0.961 46.337 45.100 0.458 0.000 0.784 155 G HN 0.391 nan 8.290 nan 0.000 0.542 156 D N 0.767 121.285 120.400 0.197 0.000 2.219 156 D HA -0.089 4.566 4.640 0.025 0.000 0.205 156 D C 2.163 178.546 176.300 0.139 0.000 0.970 156 D CA 0.692 54.769 54.000 0.129 0.000 0.851 156 D CB -0.184 40.679 40.800 0.105 0.000 0.943 156 D HN 0.365 nan 8.370 nan 0.000 0.488 157 R N -0.226 120.384 120.500 0.183 0.000 2.225 157 R HA 0.245 4.600 4.340 0.025 0.000 0.194 157 R C 0.288 176.663 176.300 0.126 0.000 0.949 157 R CA -0.058 56.126 56.100 0.140 0.000 1.088 157 R CB 0.951 31.328 30.300 0.128 0.000 1.106 157 R HN -0.047 nan 8.270 nan 0.000 0.566 158 V N 2.939 122.957 119.914 0.173 0.000 2.432 158 V HA 0.142 4.277 4.120 0.025 0.000 0.271 158 V C 0.515 176.749 176.094 0.233 0.000 1.046 158 V CA 0.109 62.422 62.300 0.023 0.000 0.945 158 V CB 1.478 33.114 31.823 -0.313 0.000 0.992 158 V HN 0.167 nan 8.190 nan 0.000 0.471 159 K N 2.612 123.053 120.400 0.069 0.000 2.402 159 K HA 0.307 4.642 4.320 0.025 0.000 0.204 159 K C -0.087 176.582 176.600 0.116 0.000 1.056 159 K CA -0.016 56.398 56.287 0.211 0.000 1.069 159 K CB 0.577 33.147 32.500 0.117 0.000 0.888 159 K HN 0.522 nan 8.250 nan 0.000 0.546 160 N N 0.285 118.803 118.700 -0.303 0.000 2.448 160 N HA 0.240 4.995 4.740 0.025 0.000 0.279 160 N C -1.315 173.766 175.510 -0.714 0.000 1.025 160 N CA -0.289 52.376 53.050 -0.642 0.000 0.898 160 N CB 1.194 38.726 38.487 -1.592 0.000 1.303 160 N HN -0.079 nan 8.380 nan 0.000 0.495 161 W N 1.998 123.118 121.300 -0.301 0.000 2.936 161 W HA 0.600 5.275 4.660 0.024 0.000 0.338 161 W C -0.337 176.103 176.519 -0.131 0.000 1.121 161 W CA -0.517 56.697 57.345 -0.217 0.000 1.209 161 W CB 1.512 30.809 29.460 -0.271 0.000 1.420 161 W HN 0.187 nan 8.180 nan 0.000 0.516 162 I N 2.168 122.825 120.570 0.144 0.000 2.466 162 I HA 0.187 4.371 4.170 0.025 0.000 0.289 162 I C 1.219 177.403 176.117 0.111 0.000 1.026 162 I CA -0.465 60.866 61.300 0.052 0.000 1.078 162 I CB 2.335 40.355 38.000 0.034 0.000 1.249 162 I HN 0.649 nan 8.210 nan 0.000 0.429 163 T N 4.469 119.084 114.554 0.102 0.000 2.639 163 T HA 0.107 4.472 4.350 0.025 0.000 0.261 163 T C 0.562 175.451 174.700 0.316 0.000 1.053 163 T CA 0.850 63.121 62.100 0.287 0.000 1.158 163 T CB -0.031 69.061 68.868 0.374 0.000 0.863 163 T HN 0.346 nan 8.240 nan 0.000 0.413 164 L N 1.534 122.812 121.223 0.091 0.000 2.385 164 L HA 0.518 4.873 4.340 0.025 0.000 0.273 164 L C -0.844 175.964 176.870 -0.102 0.000 0.990 164 L CA -1.052 53.811 54.840 0.037 0.000 0.821 164 L CB 1.927 43.886 42.059 -0.167 0.000 1.279 164 L HN 0.126 nan 8.230 nan 0.000 0.412 165 N N 2.595 121.258 118.700 -0.062 0.000 2.406 165 N HA 0.131 4.886 4.740 0.025 0.000 0.251 165 N C -0.649 174.843 175.510 -0.030 0.000 1.069 165 N CA 0.047 52.964 53.050 -0.221 0.000 0.947 165 N CB 0.346 38.390 38.487 -0.738 0.000 1.111 165 N HN 0.574 nan 8.380 nan 0.000 0.497 166 E N 1.922 122.059 120.200 -0.105 0.000 2.252 166 E HA -0.162 4.203 4.350 0.025 0.000 0.199 166 E C -1.790 174.764 176.600 -0.078 0.000 1.352 166 E CA 0.069 56.478 56.400 0.014 0.000 0.682 166 E CB -0.588 29.232 29.700 0.199 0.000 1.142 166 E HN 0.672 nan 8.360 nan 0.000 0.367 167 P HA -0.222 nan 4.420 nan 0.000 0.218 167 P C 1.306 178.485 177.300 -0.202 0.000 1.146 167 P CA 1.287 64.114 63.100 -0.455 0.000 0.813 167 P CB -0.094 31.071 31.700 -0.892 0.000 0.778 168 W N 1.012 122.218 121.300 -0.156 0.000 2.338 168 W HA -0.186 4.491 4.660 0.028 0.000 0.304 168 W C 2.055 178.435 176.519 -0.231 0.000 1.212 168 W CA 1.408 58.739 57.345 -0.023 0.000 1.264 168 W CB -0.807 28.655 29.460 0.003 0.000 1.142 168 W HN -0.297 nan 8.180 nan 0.000 0.512 169 V N 0.034 119.934 119.914 -0.024 0.000 2.270 169 V HA -0.314 3.820 4.120 0.025 0.000 0.245 169 V C 2.158 177.888 176.094 -0.608 0.000 1.043 169 V CA 1.851 63.956 62.300 -0.324 0.000 1.014 169 V CB -1.323 30.365 31.823 -0.226 0.000 0.645 169 V HN 0.117 nan 8.190 nan 0.000 0.447 170 V N 0.447 120.001 119.914 -0.601 0.000 2.278 170 V HA -0.339 3.796 4.120 0.025 0.000 0.251 170 V C 2.638 178.527 176.094 -0.342 0.000 1.062 170 V CA 2.455 64.427 62.300 -0.548 0.000 1.038 170 V CB -1.203 30.323 31.823 -0.495 0.000 0.646 170 V HN 0.578 nan 8.190 nan 0.000 0.447 171 A N -0.242 122.330 122.820 -0.414 0.000 1.843 171 A HA -0.053 4.282 4.320 0.025 0.000 0.213 171 A C 2.099 179.393 177.584 -0.484 0.000 1.202 171 A CA 1.592 53.397 52.037 -0.387 0.000 0.607 171 A CB -0.403 18.328 19.000 -0.449 0.000 0.847 171 A HN 0.379 nan 8.150 nan 0.000 0.445 172 I N -0.018 120.019 120.570 -0.889 0.000 2.277 172 I HA -0.094 4.091 4.170 0.025 0.000 0.243 172 I C 2.461 177.922 176.117 -1.094 0.000 1.094 172 I CA 1.052 61.657 61.300 -1.158 0.000 1.393 172 I CB -1.371 35.504 38.000 -1.875 0.000 1.078 172 I HN 0.112 nan 8.210 nan 0.000 0.417 173 V N 1.220 120.557 119.914 -0.963 0.000 2.548 173 V HA -0.065 4.070 4.120 0.025 0.000 0.249 173 V C 2.516 178.323 176.094 -0.478 0.000 1.055 173 V CA 1.788 63.706 62.300 -0.638 0.000 1.065 173 V CB -1.252 30.193 31.823 -0.629 0.000 0.681 173 V HN 0.502 nan 8.190 nan 0.000 0.462 174 G N -1.342 107.168 108.800 -0.483 0.000 2.603 174 G HA2 -0.097 3.878 3.960 0.025 0.000 0.214 174 G HA3 -0.097 3.878 3.960 0.025 0.000 0.214 174 G C 1.115 175.648 174.900 -0.613 0.000 1.140 174 G CA 0.459 45.239 45.100 -0.532 0.000 0.800 174 G HN 0.665 nan 8.290 nan 0.000 0.533 175 H N -2.092 116.787 119.070 -0.318 0.000 3.440 175 H HA 0.343 4.914 4.556 0.025 0.000 0.259 175 H C 1.502 176.693 175.328 -0.228 0.000 1.120 175 H CA -0.255 55.654 56.048 -0.231 0.000 1.191 175 H CB 0.820 30.461 29.762 -0.202 0.000 1.537 175 H HN 0.228 nan 8.280 nan 0.000 0.547 176 L N -0.954 120.131 121.223 -0.231 0.000 2.515 176 L HA 0.145 4.500 4.340 0.025 0.000 0.202 176 L C 0.964 177.813 176.870 -0.034 0.000 1.056 176 L CA 1.137 55.858 54.840 -0.199 0.000 0.847 176 L CB -0.236 41.610 42.059 -0.356 0.000 1.131 176 L HN 0.047 nan 8.230 nan 0.000 0.484 177 Y N 0.746 120.965 120.300 -0.136 0.000 2.420 177 Y HA 0.401 4.965 4.550 0.024 0.000 0.292 177 Y C 2.022 177.876 175.900 -0.077 0.000 1.119 177 Y CA 0.043 58.086 58.100 -0.095 0.000 1.229 177 Y CB -0.909 37.477 38.460 -0.123 0.000 1.026 177 Y HN 0.302 nan 8.280 nan 0.000 0.554 178 G N -0.457 108.358 108.800 0.025 0.000 2.155 178 G HA2 -0.290 3.685 3.960 0.025 0.000 0.257 178 G HA3 -0.290 3.685 3.960 0.025 0.000 0.257 178 G C 1.048 176.001 174.900 0.088 0.000 0.983 178 G CA 0.599 45.706 45.100 0.011 0.000 0.676 178 G HN 0.288 nan 8.290 nan 0.000 0.528 179 V N -0.476 119.471 119.914 0.056 0.000 2.878 179 V HA 0.160 4.295 4.120 0.025 0.000 0.250 179 V C 1.298 177.535 176.094 0.238 0.000 1.075 179 V CA 1.583 63.975 62.300 0.155 0.000 1.096 179 V CB -0.200 31.656 31.823 0.055 0.000 0.724 179 V HN 0.656 nan 8.190 nan 0.000 0.467 180 H N -1.361 117.551 119.070 -0.262 0.000 2.710 180 H HA 0.663 5.234 4.556 0.025 0.000 0.361 180 H C 0.242 174.681 175.328 -1.481 0.000 1.175 180 H CA -0.662 54.973 56.048 -0.689 0.000 1.206 180 H CB 1.551 31.080 29.762 -0.388 0.000 1.750 180 H HN 0.318 nan 8.280 nan 0.000 0.553 181 A N 2.279 123.829 122.820 -2.117 0.000 2.531 181 A HA 0.030 4.365 4.320 0.025 0.000 0.236 181 A C -1.646 175.447 177.584 -0.817 0.000 1.062 181 A CA -0.834 50.209 52.037 -1.657 0.000 0.760 181 A CB -0.153 17.898 19.000 -1.582 0.000 0.995 181 A HN 0.601 nan 8.150 nan 0.000 0.501 182 P HA 0.129 nan 4.420 nan 0.000 0.255 182 P C 0.702 177.860 177.300 -0.237 0.000 1.301 182 P CA 0.907 63.783 63.100 -0.374 0.000 0.817 182 P CB -0.008 31.570 31.700 -0.203 0.000 1.259 183 G N 0.226 108.811 108.800 -0.358 0.000 2.212 183 G HA2 -0.248 3.727 3.960 0.025 0.000 0.255 183 G HA3 -0.248 3.727 3.960 0.025 0.000 0.255 183 G C -0.078 174.814 174.900 -0.013 0.000 1.062 183 G CA -0.166 44.936 45.100 0.003 0.000 0.815 183 G HN 0.266 nan 8.290 nan 0.000 0.497 184 M N -0.781 118.745 119.600 -0.123 0.000 2.528 184 M HA 0.582 5.077 4.480 0.025 0.000 0.318 184 M C 0.808 177.088 176.300 -0.034 0.000 1.195 184 M CA -0.539 54.729 55.300 -0.054 0.000 1.000 184 M CB 1.646 34.224 32.600 -0.036 0.000 1.615 184 M HN 0.086 nan 8.290 nan 0.000 0.469 185 R N 1.632 122.133 120.500 0.002 0.000 2.547 185 R HA 0.280 4.635 4.340 0.025 0.000 0.280 185 R C -1.512 174.796 176.300 0.015 0.000 1.630 185 R CA -0.326 55.781 56.100 0.012 0.000 1.470 185 R CB 0.610 30.930 30.300 0.034 0.000 1.178 185 R HN 0.560 nan 8.270 nan 0.000 0.591 186 D N 2.884 123.287 120.400 0.006 0.000 2.613 186 D HA 0.087 4.742 4.640 0.025 0.000 0.230 186 D C 0.312 176.608 176.300 -0.008 0.000 1.365 186 D CA -0.434 53.580 54.000 0.024 0.000 0.976 186 D CB 1.626 42.453 40.800 0.045 0.000 1.415 186 D HN 0.343 nan 8.370 nan 0.000 0.589 187 I N 3.569 124.101 120.570 -0.063 0.000 2.546 187 I HA -0.208 3.977 4.170 0.025 0.000 0.255 187 I C 1.039 177.039 176.117 -0.196 0.000 1.163 187 I CA 0.893 62.043 61.300 -0.250 0.000 1.457 187 I CB 0.178 37.817 38.000 -0.602 0.000 1.092 187 I HN 0.411 nan 8.210 nan 0.000 0.434 188 Y N -0.366 119.847 120.300 -0.144 0.000 2.220 188 Y HA -0.169 4.396 4.550 0.026 0.000 0.291 188 Y C 2.438 178.341 175.900 0.005 0.000 1.129 188 Y CA 1.324 59.426 58.100 0.003 0.000 1.161 188 Y CB -0.845 37.629 38.460 0.023 0.000 0.997 188 Y HN -0.069 nan 8.280 nan 0.000 0.522 189 V N -0.148 119.846 119.914 0.135 0.000 2.295 189 V HA -0.340 3.794 4.120 0.025 0.000 0.246 189 V C 2.522 178.568 176.094 -0.080 0.000 1.049 189 V CA 1.764 64.085 62.300 0.035 0.000 1.024 189 V CB -1.366 30.484 31.823 0.045 0.000 0.648 189 V HN 0.460 nan 8.190 nan 0.000 0.447 190 A N -0.518 122.226 122.820 -0.126 0.000 1.908 190 A HA -0.210 4.124 4.320 0.025 0.000 0.218 190 A C 2.017 179.352 177.584 -0.414 0.000 1.181 190 A CA 1.980 53.827 52.037 -0.317 0.000 0.627 190 A CB -0.741 18.020 19.000 -0.397 0.000 0.818 190 A HN 0.490 nan 8.150 nan 0.000 0.445 191 F N -0.445 119.404 119.950 -0.168 0.000 2.325 191 F HA -0.004 4.537 4.527 0.024 0.000 0.299 191 F C 2.493 178.232 175.800 -0.102 0.000 1.090 191 F CA 1.216 59.120 58.000 -0.160 0.000 1.392 191 F CB -0.163 38.719 39.000 -0.196 0.000 1.053 191 F HN 0.100 nan 8.300 nan 0.000 0.521 192 R N -0.102 120.437 120.500 0.065 0.000 2.075 192 R HA -0.087 4.268 4.340 0.025 0.000 0.232 192 R C 2.480 178.806 176.300 0.044 0.000 1.126 192 R CA 1.110 57.256 56.100 0.075 0.000 0.963 192 R CB -0.670 29.669 30.300 0.065 0.000 0.858 192 R HN 0.248 nan 8.270 nan 0.000 0.435 193 A N 0.685 123.445 122.820 -0.100 0.000 1.883 193 A HA -0.144 4.191 4.320 0.025 0.000 0.217 193 A C 2.324 179.851 177.584 -0.094 0.000 1.186 193 A CA 1.524 53.467 52.037 -0.156 0.000 0.624 193 A CB -0.704 17.992 19.000 -0.505 0.000 0.822 193 A HN 0.118 nan 8.150 nan 0.000 0.444 194 V N -0.467 119.382 119.914 -0.107 0.000 2.250 194 V HA -0.354 3.781 4.120 0.025 0.000 0.250 194 V C 2.500 178.721 176.094 0.212 0.000 1.060 194 V CA 2.758 65.083 62.300 0.041 0.000 1.030 194 V CB -0.999 30.778 31.823 -0.076 0.000 0.643 194 V HN 0.830 nan 8.190 nan 0.000 0.445 195 H N 0.520 119.668 119.070 0.129 0.000 2.353 195 H HA -0.099 4.471 4.556 0.024 0.000 0.300 195 H C 2.221 177.647 175.328 0.164 0.000 1.090 195 H CA 1.987 58.165 56.048 0.217 0.000 1.327 195 H CB -0.094 29.792 29.762 0.206 0.000 1.383 195 H HN 0.362 nan 8.280 nan 0.000 0.508 196 N N 0.047 118.835 118.700 0.146 0.000 2.309 196 N HA -0.100 4.654 4.740 0.025 0.000 0.182 196 N C 2.015 177.592 175.510 0.113 0.000 1.018 196 N CA 0.755 53.868 53.050 0.106 0.000 0.876 196 N CB -0.189 38.389 38.487 0.151 0.000 0.972 196 N HN 0.362 nan 8.380 nan 0.000 0.434 197 L N 0.543 121.784 121.223 0.029 0.000 2.017 197 L HA -0.124 4.231 4.340 0.025 0.000 0.208 197 L C 2.212 179.054 176.870 -0.047 0.000 1.073 197 L CA 0.917 55.647 54.840 -0.183 0.000 0.745 197 L CB -0.411 41.419 42.059 -0.382 0.000 0.894 197 L HN 0.105 nan 8.230 nan 0.000 0.432 198 L N -0.874 120.386 121.223 0.062 0.000 2.046 198 L HA -0.216 4.138 4.340 0.025 0.000 0.208 198 L C 2.832 179.736 176.870 0.058 0.000 1.077 198 L CA 1.313 56.210 54.840 0.094 0.000 0.747 198 L CB -0.445 41.663 42.059 0.083 0.000 0.896 198 L HN 0.180 nan 8.230 nan 0.000 0.432 199 R N -0.278 120.198 120.500 -0.040 0.000 2.081 199 R HA -0.150 4.205 4.340 0.025 0.000 0.235 199 R C 2.418 178.747 176.300 0.048 0.000 1.131 199 R CA 1.374 57.458 56.100 -0.028 0.000 0.960 199 R CB -0.545 29.715 30.300 -0.067 0.000 0.856 199 R HN 0.369 nan 8.270 nan 0.000 0.436 200 A N 0.621 123.492 122.820 0.084 0.000 1.873 200 A HA -0.239 4.096 4.320 0.025 0.000 0.215 200 A C 1.966 179.680 177.584 0.216 0.000 1.186 200 A CA 1.837 53.970 52.037 0.159 0.000 0.616 200 A CB -0.814 18.250 19.000 0.106 0.000 0.823 200 A HN 0.518 nan 8.150 nan 0.000 0.442 201 H N 0.225 119.296 119.070 0.001 0.000 2.289 201 H HA -0.098 4.473 4.556 0.026 0.000 0.296 201 H C 2.056 177.437 175.328 0.087 0.000 1.091 201 H CA 2.581 58.663 56.048 0.056 0.000 1.274 201 H CB -0.356 29.377 29.762 -0.048 0.000 1.364 201 H HN 0.369 nan 8.280 nan 0.000 0.490 202 A N 1.083 123.812 122.820 -0.152 0.000 1.902 202 A HA -0.139 4.196 4.320 0.025 0.000 0.217 202 A C 2.444 179.961 177.584 -0.111 0.000 1.181 202 A CA 1.416 53.336 52.037 -0.195 0.000 0.623 202 A CB -0.394 18.588 19.000 -0.030 0.000 0.818 202 A HN 0.383 nan 8.150 nan 0.000 0.443 203 R N -0.352 120.143 120.500 -0.008 0.000 2.081 203 R HA -0.092 4.263 4.340 0.025 0.000 0.235 203 R C 2.435 178.754 176.300 0.031 0.000 1.131 203 R CA 1.440 57.556 56.100 0.026 0.000 0.960 203 R CB -1.062 29.281 30.300 0.072 0.000 0.856 203 R HN 0.535 nan 8.270 nan 0.000 0.436 204 A N 0.549 123.413 122.820 0.072 0.000 1.902 204 A HA -0.102 4.233 4.320 0.025 0.000 0.217 204 A C 2.479 180.103 177.584 0.068 0.000 1.181 204 A CA 1.509 53.582 52.037 0.060 0.000 0.623 204 A CB -0.559 18.498 19.000 0.095 0.000 0.818 204 A HN 0.105 nan 8.150 nan 0.000 0.443 205 V N 0.334 120.186 119.914 -0.104 0.000 2.343 205 V HA -0.286 3.849 4.120 0.025 0.000 0.247 205 V C 2.530 178.606 176.094 -0.030 0.000 1.051 205 V CA 2.401 64.619 62.300 -0.137 0.000 1.036 205 V CB -0.705 30.939 31.823 -0.297 0.000 0.654 205 V HN 0.691 nan 8.190 nan 0.000 0.451 206 K N 0.010 120.383 120.400 -0.044 0.000 2.063 206 K HA -0.183 4.152 4.320 0.025 0.000 0.208 206 K C 2.037 178.628 176.600 -0.015 0.000 1.048 206 K CA 1.798 58.068 56.287 -0.028 0.000 0.928 206 K CB -0.227 32.256 32.500 -0.028 0.000 0.713 206 K HN 0.336 nan 8.250 nan 0.000 0.442 207 V N 1.022 120.950 119.914 0.023 0.000 2.407 207 V HA -0.212 3.923 4.120 0.025 0.000 0.248 207 V C 2.005 178.092 176.094 -0.011 0.000 1.055 207 V CA 1.687 64.011 62.300 0.041 0.000 1.049 207 V CB -0.606 31.276 31.823 0.099 0.000 0.662 207 V HN 0.331 nan 8.190 nan 0.000 0.455 208 F N 1.447 121.237 119.950 -0.266 0.000 2.134 208 F HA -0.164 4.378 4.527 0.025 0.000 0.299 208 F C 2.551 178.059 175.800 -0.487 0.000 1.097 208 F CA 1.578 59.103 58.000 -0.791 0.000 1.264 208 F CB -0.207 38.271 39.000 -0.871 0.000 1.001 208 F HN 0.002 nan 8.300 nan 0.000 0.479 209 R N 0.890 121.258 120.500 -0.220 0.000 2.120 209 R HA -0.144 4.211 4.340 0.025 0.000 0.234 209 R C 1.946 178.094 176.300 -0.254 0.000 1.123 209 R CA 1.655 57.619 56.100 -0.227 0.000 0.975 209 R CB -1.171 29.075 30.300 -0.091 0.000 0.866 209 R HN 0.497 nan 8.270 nan 0.000 0.446 210 E N -0.360 119.716 120.200 -0.208 0.000 2.358 210 E HA -0.064 4.301 4.350 0.025 0.000 0.195 210 E C 1.180 177.658 176.600 -0.204 0.000 1.010 210 E CA 1.467 57.769 56.400 -0.164 0.000 0.856 210 E CB 0.172 29.811 29.700 -0.102 0.000 0.795 210 E HN 0.497 nan 8.360 nan 0.000 0.504 211 T N -3.258 111.105 114.554 -0.320 0.000 2.954 211 T HA 0.173 4.538 4.350 0.025 0.000 0.252 211 T C 0.486 174.923 174.700 -0.437 0.000 0.983 211 T CA -0.312 61.608 62.100 -0.301 0.000 0.941 211 T CB 0.595 69.351 68.868 -0.185 0.000 1.141 211 T HN -0.091 nan 8.240 nan 0.000 0.500 212 V N 1.607 121.065 119.914 -0.761 0.000 2.454 212 V HA 0.711 4.846 4.120 0.025 0.000 0.267 212 V C 0.482 176.141 176.094 -0.725 0.000 0.993 212 V CA -0.736 61.081 62.300 -0.806 0.000 0.836 212 V CB 0.450 31.530 31.823 -1.239 0.000 1.055 212 V HN 0.430 nan 8.190 nan 0.000 0.452 213 K N 1.461 121.631 120.400 -0.383 0.000 2.745 213 K HA 0.267 4.602 4.320 0.025 0.000 0.223 213 K C 0.480 176.992 176.600 -0.147 0.000 1.057 213 K CA 0.728 56.865 56.287 -0.250 0.000 1.217 213 K CB -0.465 31.934 32.500 -0.169 0.000 0.993 213 K HN 0.897 nan 8.250 nan 0.000 0.478 214 D N -3.293 117.022 120.400 -0.142 0.000 2.601 214 D HA 0.050 4.705 4.640 0.025 0.000 0.350 214 D C 0.511 176.825 176.300 0.023 0.000 1.386 214 D CA 0.242 54.217 54.000 -0.041 0.000 0.929 214 D CB -0.218 40.559 40.800 -0.038 0.000 1.456 214 D HN 0.285 nan 8.370 nan 0.000 0.430 215 G N 0.543 109.363 108.800 0.033 0.000 2.667 215 G HA2 0.561 4.536 3.960 0.025 0.000 0.310 215 G HA3 0.561 4.536 3.960 0.025 0.000 0.310 215 G C -0.857 174.295 174.900 0.420 0.000 1.259 215 G CA -0.491 44.775 45.100 0.276 0.000 1.019 215 G HN 0.255 nan 8.290 nan 0.000 0.496 216 K N -1.357 119.295 120.400 0.421 0.000 2.375 216 K HA 0.813 5.148 4.320 0.025 0.000 0.249 216 K C -1.219 175.463 176.600 0.137 0.000 0.942 216 K CA -0.904 55.580 56.287 0.327 0.000 0.806 216 K CB 1.766 34.459 32.500 0.321 0.000 1.227 216 K HN 0.813 nan 8.250 nan 0.000 0.430 217 I N 0.681 121.197 120.570 -0.091 0.000 2.619 217 I HA 0.743 4.928 4.170 0.025 0.000 0.292 217 I C -0.015 175.719 176.117 -0.638 0.000 1.100 217 I CA -0.351 60.675 61.300 -0.458 0.000 1.043 217 I CB 2.136 39.496 38.000 -1.068 0.000 1.239 217 I HN 1.114 nan 8.210 nan 0.000 0.420 218 G N 6.223 114.391 108.800 -1.052 0.000 2.911 218 G HA2 0.699 4.674 3.960 0.025 0.000 0.299 218 G HA3 0.699 4.674 3.960 0.025 0.000 0.299 218 G C -1.922 172.611 174.900 -0.612 0.000 1.283 218 G CA -0.591 43.735 45.100 -1.290 0.000 0.805 218 G HN 0.703 nan 8.290 nan 0.000 0.548 219 I N -0.974 119.260 120.570 -0.560 0.000 2.841 219 I HA 0.621 4.806 4.170 0.025 0.000 0.298 219 I C -1.560 174.119 176.117 -0.730 0.000 1.304 219 I CA -0.885 60.092 61.300 -0.539 0.000 1.019 219 I CB 2.264 39.882 38.000 -0.638 0.000 1.282 219 I HN 0.378 nan 8.210 nan 0.000 0.432 220 V N 6.653 126.108 119.914 -0.765 0.000 2.495 220 V HA 0.541 4.676 4.120 0.025 0.000 0.298 220 V C -0.996 174.619 176.094 -0.798 0.000 1.031 220 V CA -0.321 61.616 62.300 -0.605 0.000 0.871 220 V CB 1.587 33.253 31.823 -0.261 0.000 0.988 220 V HN 0.450 nan 8.190 nan 0.000 0.432 221 F N 3.918 123.887 119.950 0.033 0.000 2.495 221 F HA 0.493 5.036 4.527 0.026 0.000 0.327 221 F C 0.604 176.474 175.800 0.117 0.000 1.103 221 F CA -1.270 56.764 58.000 0.055 0.000 0.949 221 F CB 1.298 40.384 39.000 0.145 0.000 1.142 221 F HN 0.560 nan 8.300 nan 0.000 0.457 222 N N 2.594 121.459 118.700 0.275 0.000 2.482 222 N HA 0.221 4.976 4.740 0.025 0.000 0.260 222 N C -1.125 174.514 175.510 0.215 0.000 1.236 222 N CA -0.175 52.999 53.050 0.205 0.000 0.938 222 N CB 0.925 39.480 38.487 0.112 0.000 1.128 222 N HN 0.634 nan 8.380 nan 0.000 0.448 223 N N -0.801 118.040 118.700 0.235 0.000 2.367 223 N HA 0.396 5.151 4.740 0.025 0.000 0.278 223 N C -0.993 174.667 175.510 0.250 0.000 1.117 223 N CA -0.652 52.573 53.050 0.292 0.000 0.867 223 N CB 2.317 41.095 38.487 0.485 0.000 1.649 223 N HN 0.761 nan 8.380 nan 0.000 0.479 224 G N -0.023 108.849 108.800 0.120 0.000 2.498 224 G HA2 0.409 4.383 3.960 0.025 0.000 0.312 224 G HA3 0.409 4.383 3.960 0.025 0.000 0.312 224 G C -1.743 173.086 174.900 -0.119 0.000 1.230 224 G CA -0.266 44.768 45.100 -0.110 0.000 0.968 224 G HN 0.420 nan 8.290 nan 0.000 0.481 225 Y N 1.773 121.999 120.300 -0.123 0.000 2.518 225 Y HA 0.601 5.162 4.550 0.019 0.000 0.344 225 Y C -1.095 174.547 175.900 -0.430 0.000 0.982 225 Y CA -2.349 55.616 58.100 -0.225 0.000 1.234 225 Y CB -0.042 38.412 38.460 -0.010 0.000 1.114 225 Y HN 0.239 nan 8.280 nan 0.000 0.515 226 F N 4.559 124.370 119.950 -0.231 0.000 2.411 226 F HA 0.405 4.944 4.527 0.020 0.000 0.350 226 F C 0.301 175.761 175.800 -0.567 0.000 1.114 226 F CA -0.459 57.376 58.000 -0.275 0.000 1.135 226 F CB 0.828 39.764 39.000 -0.105 0.000 1.120 226 F HN 0.398 nan 8.300 nan 0.000 0.495 227 E N 4.502 124.511 120.200 -0.318 0.000 2.244 227 E HA 0.401 4.766 4.350 0.025 0.000 0.266 227 E C -2.640 173.896 176.600 -0.107 0.000 0.914 227 E CA -2.361 53.850 56.400 -0.315 0.000 0.794 227 E CB 2.096 31.553 29.700 -0.404 0.000 1.210 227 E HN 0.202 nan 8.360 nan 0.000 0.414 228 P HA 0.100 nan 4.420 nan 0.000 0.284 228 P C -0.216 177.077 177.300 -0.012 0.000 1.253 228 P CA -0.081 63.004 63.100 -0.025 0.000 0.800 228 P CB 1.399 33.091 31.700 -0.013 0.000 0.961 229 A N 2.850 125.674 122.820 0.006 0.000 1.969 229 A HA 0.017 4.352 4.320 0.025 0.000 0.218 229 A C 1.081 178.675 177.584 0.017 0.000 1.169 229 A CA 1.700 53.748 52.037 0.017 0.000 0.635 229 A CB -0.748 18.268 19.000 0.027 0.000 0.810 229 A HN 0.738 nan 8.150 nan 0.000 0.445 230 S N -3.466 112.243 115.700 0.015 0.000 2.685 230 S HA 0.669 5.154 4.470 0.025 0.000 0.282 230 S C -0.145 174.460 174.600 0.010 0.000 1.159 230 S CA 0.059 58.267 58.200 0.014 0.000 0.833 230 S CB 0.866 64.076 63.200 0.017 0.000 1.151 230 S HN 0.902 nan 8.310 nan 0.000 0.485 231 E N 0.319 120.525 120.200 0.010 0.000 2.766 231 E HA 0.538 4.903 4.350 0.025 0.000 0.261 231 E C 0.145 176.746 176.600 0.001 0.000 1.427 231 E CA 0.021 56.425 56.400 0.007 0.000 1.085 231 E CB -0.284 29.421 29.700 0.009 0.000 1.074 231 E HN 1.634 nan 8.360 nan 0.000 0.651 232 K N -1.211 119.185 120.400 -0.006 0.000 3.733 232 K HA -0.131 4.203 4.320 0.025 0.000 0.880 232 K C 0.441 177.021 176.600 -0.034 0.000 1.933 232 K CA 0.825 57.101 56.287 -0.019 0.000 1.500 232 K CB -1.276 31.214 32.500 -0.016 0.000 3.255 232 K HN 0.684 nan 8.250 nan 0.000 0.118 233 E N 1.706 121.875 120.200 -0.052 0.000 2.164 233 E HA -0.345 4.020 4.350 0.025 0.000 0.233 233 E C 1.523 178.067 176.600 -0.094 0.000 1.073 233 E CA 2.682 59.038 56.400 -0.073 0.000 0.941 233 E CB -0.093 29.546 29.700 -0.101 0.000 0.820 233 E HN 0.782 nan 8.360 nan 0.000 0.486 234 E N 0.577 120.682 120.200 -0.159 0.000 2.204 234 E HA -0.198 4.167 4.350 0.025 0.000 0.194 234 E C 1.208 177.781 176.600 -0.045 0.000 0.989 234 E CA 1.290 57.542 56.400 -0.246 0.000 0.824 234 E CB -0.099 29.210 29.700 -0.651 0.000 0.756 234 E HN 0.289 nan 8.360 nan 0.000 0.477 235 D N 1.159 121.561 120.400 0.003 0.000 2.162 235 D HA 0.039 4.694 4.640 0.025 0.000 0.203 235 D C 2.183 178.494 176.300 0.018 0.000 0.967 235 D CA 0.583 54.606 54.000 0.039 0.000 0.840 235 D CB -0.157 40.662 40.800 0.032 0.000 0.972 235 D HN 0.249 nan 8.370 nan 0.000 0.482 236 I N 0.734 121.307 120.570 0.006 0.000 2.315 236 I HA -0.172 4.013 4.170 0.025 0.000 0.248 236 I C 2.320 178.454 176.117 0.028 0.000 1.117 236 I CA 0.852 62.161 61.300 0.014 0.000 1.404 236 I CB 0.013 38.021 38.000 0.013 0.000 1.071 236 I HN -0.096 nan 8.210 nan 0.000 0.419 237 R N 0.699 121.208 120.500 0.017 0.000 2.115 237 R HA -0.047 4.308 4.340 0.025 0.000 0.226 237 R C 2.408 178.750 176.300 0.070 0.000 1.100 237 R CA 1.231 57.352 56.100 0.035 0.000 0.980 237 R CB -0.424 29.874 30.300 -0.003 0.000 0.875 237 R HN 0.323 nan 8.270 nan 0.000 0.445 238 A N 1.041 123.897 122.820 0.060 0.000 1.902 238 A HA -0.111 4.224 4.320 0.025 0.000 0.217 238 A C 2.378 179.975 177.584 0.021 0.000 1.181 238 A CA 1.300 53.371 52.037 0.057 0.000 0.623 238 A CB -0.520 18.505 19.000 0.042 0.000 0.818 238 A HN 0.096 nan 8.150 nan 0.000 0.443 239 V N -0.322 119.597 119.914 0.008 0.000 2.343 239 V HA -0.265 3.870 4.120 0.025 0.000 0.247 239 V C 2.642 178.766 176.094 0.049 0.000 1.051 239 V CA 2.389 64.689 62.300 -0.001 0.000 1.036 239 V CB -0.749 31.085 31.823 0.018 0.000 0.654 239 V HN 0.610 nan 8.190 nan 0.000 0.451 240 R N -0.853 119.704 120.500 0.096 0.000 2.081 240 R HA -0.195 4.160 4.340 0.025 0.000 0.235 240 R C 2.191 178.564 176.300 0.122 0.000 1.131 240 R CA 2.058 58.243 56.100 0.143 0.000 0.960 240 R CB -0.465 29.912 30.300 0.127 0.000 0.856 240 R HN 0.521 nan 8.270 nan 0.000 0.436 241 F N 0.343 120.282 119.950 -0.019 0.000 2.126 241 F HA -0.248 4.291 4.527 0.021 0.000 0.299 241 F C 1.887 177.630 175.800 -0.093 0.000 1.096 241 F CA 1.485 59.452 58.000 -0.055 0.000 1.255 241 F CB -0.043 38.890 39.000 -0.112 0.000 0.997 241 F HN -0.006 nan 8.300 nan 0.000 0.479 242 M N -0.478 118.968 119.600 -0.256 0.000 2.175 242 M HA -0.177 4.318 4.480 0.025 0.000 0.264 242 M C 2.235 178.206 176.300 -0.549 0.000 1.063 242 M CA 1.756 56.668 55.300 -0.647 0.000 1.119 242 M CB -1.840 29.998 32.600 -1.270 0.000 1.377 242 M HN 0.357 nan 8.290 nan 0.000 0.415 243 H N 0.676 119.584 119.070 -0.271 0.000 2.321 243 H HA -0.090 4.484 4.556 0.030 0.000 0.300 243 H C 1.974 177.211 175.328 -0.152 0.000 1.087 243 H CA 2.104 58.149 56.048 -0.005 0.000 1.319 243 H CB -0.058 29.822 29.762 0.196 0.000 1.379 243 H HN 0.425 nan 8.280 nan 0.000 0.501 244 Q N -1.455 118.189 119.800 -0.260 0.000 2.170 244 Q HA -0.120 4.235 4.340 0.025 0.000 0.203 244 Q C 1.760 177.588 176.000 -0.286 0.000 0.976 244 Q CA 1.423 57.053 55.803 -0.287 0.000 0.858 244 Q CB -0.066 28.594 28.738 -0.129 0.000 0.907 244 Q HN 0.469 nan 8.270 nan 0.000 0.433 245 F N 0.689 120.280 119.950 -0.599 0.000 2.274 245 F HA 0.049 4.589 4.527 0.023 0.000 0.288 245 F C 1.791 177.374 175.800 -0.362 0.000 1.069 245 F CA 1.272 58.981 58.000 -0.484 0.000 1.343 245 F CB -0.192 38.302 39.000 -0.843 0.000 1.089 245 F HN -0.078 nan 8.300 nan 0.000 0.517 246 N N -0.460 117.792 118.700 -0.746 0.000 2.415 246 N HA -0.030 4.724 4.740 0.025 0.000 0.176 246 N C 0.109 175.210 175.510 -0.681 0.000 1.042 246 N CA 0.244 52.603 53.050 -1.152 0.000 0.902 246 N CB 0.003 38.016 38.487 -0.790 0.000 0.986 246 N HN 0.104 nan 8.380 nan 0.000 0.447 247 N N -0.684 117.784 118.700 -0.387 0.000 2.604 247 N HA 0.059 4.814 4.740 0.025 0.000 0.297 247 N C 0.602 175.890 175.510 -0.369 0.000 1.266 247 N CA -0.321 52.568 53.050 -0.268 0.000 0.961 247 N CB -0.110 38.245 38.487 -0.220 0.000 1.166 247 N HN 0.147 nan 8.380 nan 0.000 0.601 248 Y N -0.818 119.414 120.300 -0.113 0.000 2.219 248 Y HA -0.042 4.522 4.550 0.024 0.000 0.283 248 Y C -1.215 174.431 175.900 -0.423 0.000 1.191 248 Y CA 1.016 58.866 58.100 -0.417 0.000 1.199 248 Y CB -2.276 36.062 38.460 -0.204 0.000 0.972 248 Y HN 0.446 nan 8.280 nan 0.000 0.527 249 P HA -0.189 nan 4.420 nan 0.000 0.218 249 P C 1.853 179.032 177.300 -0.201 0.000 1.148 249 P CA 1.344 64.344 63.100 -0.167 0.000 0.822 249 P CB -0.108 31.467 31.700 -0.208 0.000 0.784 250 L N -1.866 119.187 121.223 -0.283 0.000 2.129 250 L HA -0.146 4.209 4.340 0.025 0.000 0.212 250 L C 1.705 178.250 176.870 -0.541 0.000 1.087 250 L CA 2.041 56.675 54.840 -0.343 0.000 0.757 250 L CB -1.046 40.729 42.059 -0.474 0.000 0.896 250 L HN -0.103 nan 8.230 nan 0.000 0.434 251 F N -2.323 117.478 119.950 -0.249 0.000 2.602 251 F HA 0.159 4.701 4.527 0.025 0.000 0.284 251 F C 2.022 177.624 175.800 -0.330 0.000 1.111 251 F CA 0.193 58.033 58.000 -0.266 0.000 1.405 251 F CB -0.277 38.540 39.000 -0.306 0.000 1.121 251 F HN -0.162 nan 8.300 nan 0.000 0.603 252 L N -0.175 120.854 121.223 -0.324 0.000 2.240 252 L HA -0.102 4.253 4.340 0.025 0.000 0.211 252 L C 1.890 178.434 176.870 -0.543 0.000 1.106 252 L CA 0.863 55.442 54.840 -0.435 0.000 0.793 252 L CB -0.529 41.153 42.059 -0.628 0.000 0.927 252 L HN 0.176 nan 8.230 nan 0.000 0.446 253 N N -0.006 118.485 118.700 -0.347 0.000 2.084 253 N HA -0.124 4.631 4.740 0.025 0.000 0.190 253 N C -0.931 174.542 175.510 -0.062 0.000 1.030 253 N CA 1.354 54.384 53.050 -0.032 0.000 0.849 253 N CB -0.513 38.049 38.487 0.125 0.000 1.012 253 N HN 0.051 nan 8.380 nan 0.000 0.423 254 P HA -0.127 nan 4.420 nan 0.000 0.214 254 P C 1.188 178.412 177.300 -0.127 0.000 1.163 254 P CA 1.212 64.183 63.100 -0.216 0.000 0.889 254 P CB 0.060 31.540 31.700 -0.367 0.000 0.790 255 I N -2.896 117.586 120.570 -0.147 0.000 2.226 255 I HA -0.263 3.922 4.170 0.025 0.000 0.245 255 I C 2.098 178.057 176.117 -0.264 0.000 1.100 255 I CA 1.659 62.835 61.300 -0.206 0.000 1.374 255 I CB -0.472 37.365 38.000 -0.272 0.000 1.057 255 I HN -0.050 nan 8.210 nan 0.000 0.413 256 Y N -0.028 120.236 120.300 -0.060 0.000 2.476 256 Y HA 0.080 4.646 4.550 0.026 0.000 0.283 256 Y C 2.221 178.163 175.900 0.069 0.000 1.109 256 Y CA 0.668 58.783 58.100 0.026 0.000 1.246 256 Y CB 0.096 38.611 38.460 0.091 0.000 1.068 256 Y HN -0.034 nan 8.280 nan 0.000 0.552 257 R N -1.452 119.161 120.500 0.190 0.000 2.487 257 R HA 0.286 4.641 4.340 0.025 0.000 0.272 257 R C 1.094 177.439 176.300 0.076 0.000 0.928 257 R CA 0.597 56.789 56.100 0.154 0.000 1.077 257 R CB 0.889 31.309 30.300 0.200 0.000 1.265 257 R HN 0.262 nan 8.270 nan 0.000 0.537 258 G N 1.768 110.584 108.800 0.027 0.000 2.136 258 G HA2 -0.244 3.731 3.960 0.025 0.000 0.242 258 G HA3 -0.244 3.731 3.960 0.025 0.000 0.242 258 G C -0.412 174.488 174.900 -0.000 0.000 0.989 258 G CA 0.563 45.663 45.100 0.000 0.000 0.682 258 G HN 0.363 nan 8.290 nan 0.000 0.522 259 D N -1.903 118.491 120.400 -0.010 0.000 2.622 259 D HA 0.511 5.166 4.640 0.025 0.000 0.255 259 D C -0.275 175.980 176.300 -0.075 0.000 1.246 259 D CA -0.652 53.358 54.000 0.016 0.000 0.795 259 D CB 0.730 41.601 40.800 0.119 0.000 1.369 259 D HN -0.052 nan 8.370 nan 0.000 0.425 260 Y N 0.467 120.833 120.300 0.110 0.000 2.357 260 Y HA 0.275 4.839 4.550 0.024 0.000 0.340 260 Y C -1.406 174.516 175.900 0.037 0.000 1.260 260 Y CA -0.996 57.114 58.100 0.016 0.000 1.425 260 Y CB -0.104 38.318 38.460 -0.063 0.000 1.326 260 Y HN 0.092 nan 8.280 nan 0.000 0.580 261 P HA -0.043 nan 4.420 nan 0.000 0.269 261 P C 0.626 178.004 177.300 0.129 0.000 1.215 261 P CA 0.071 63.254 63.100 0.138 0.000 0.780 261 P CB 0.637 32.391 31.700 0.091 0.000 0.898 262 E N 1.255 121.522 120.200 0.111 0.000 2.070 262 E HA -0.197 4.168 4.350 0.025 0.000 0.197 262 E C 1.448 178.109 176.600 0.103 0.000 1.004 262 E CA 1.407 57.864 56.400 0.096 0.000 0.805 262 E CB -0.219 29.531 29.700 0.082 0.000 0.744 262 E HN 0.393 nan 8.360 nan 0.000 0.451 263 L N 0.007 121.307 121.223 0.129 0.000 2.313 263 L HA -0.090 4.265 4.340 0.025 0.000 0.214 263 L C 2.376 179.415 176.870 0.281 0.000 1.119 263 L CA 0.101 55.064 54.840 0.206 0.000 0.809 263 L CB -0.046 42.179 42.059 0.278 0.000 0.933 263 L HN 0.062 nan 8.230 nan 0.000 0.449 264 V N 0.271 120.291 119.914 0.177 0.000 2.307 264 V HA -0.264 3.871 4.120 0.025 0.000 0.245 264 V C 2.401 178.519 176.094 0.040 0.000 1.045 264 V CA 1.535 63.934 62.300 0.166 0.000 1.024 264 V CB -0.283 31.612 31.823 0.120 0.000 0.651 264 V HN 0.335 nan 8.190 nan 0.000 0.449 265 L N -0.135 121.090 121.223 0.004 0.000 2.083 265 L HA -0.222 4.133 4.340 0.025 0.000 0.209 265 L C 2.607 179.418 176.870 -0.098 0.000 1.083 265 L CA 1.948 56.737 54.840 -0.086 0.000 0.752 265 L CB -0.555 41.507 42.059 0.004 0.000 0.899 265 L HN 0.439 nan 8.230 nan 0.000 0.433 266 E N -0.026 120.172 120.200 -0.003 0.000 2.085 266 E HA -0.281 4.084 4.350 0.025 0.000 0.194 266 E C 2.129 178.703 176.600 -0.043 0.000 0.994 266 E CA 1.514 57.905 56.400 -0.015 0.000 0.801 266 E CB -0.083 29.639 29.700 0.036 0.000 0.743 266 E HN 0.390 nan 8.360 nan 0.000 0.453 267 F N 0.425 120.284 119.950 -0.152 0.000 2.128 267 F HA 0.070 4.613 4.527 0.027 0.000 0.295 267 F C 1.683 177.252 175.800 -0.385 0.000 1.100 267 F CA 1.685 59.553 58.000 -0.220 0.000 1.260 267 F CB -0.135 38.805 39.000 -0.100 0.000 1.009 267 F HN 0.034 nan 8.300 nan 0.000 0.476 268 A N -0.774 121.611 122.820 -0.726 0.000 2.545 268 A HA 0.290 4.625 4.320 0.025 0.000 0.263 268 A C 1.706 178.677 177.584 -1.023 0.000 1.202 268 A CA 0.048 51.355 52.037 -1.217 0.000 0.959 268 A CB -0.412 17.614 19.000 -1.623 0.000 1.124 268 A HN 0.250 nan 8.150 nan 0.000 0.543 269 R N 2.273 122.361 120.500 -0.687 0.000 2.103 269 R HA -0.216 4.139 4.340 0.025 0.000 0.242 269 R C 1.758 177.739 176.300 -0.531 0.000 1.142 269 R CA 2.509 58.308 56.100 -0.501 0.000 0.960 269 R CB -0.555 29.575 30.300 -0.284 0.000 0.858 269 R HN 0.728 nan 8.270 nan 0.000 0.439 270 E N -1.314 118.463 120.200 -0.705 0.000 2.333 270 E HA -0.212 4.153 4.350 0.025 0.000 0.198 270 E C 0.801 177.026 176.600 -0.626 0.000 1.007 270 E CA 1.137 57.168 56.400 -0.616 0.000 0.845 270 E CB -0.298 29.016 29.700 -0.644 0.000 0.766 270 E HN 0.491 nan 8.360 nan 0.000 0.507 271 Y N 0.769 120.685 120.300 -0.640 0.000 2.497 271 Y HA 0.330 4.895 4.550 0.024 0.000 0.265 271 Y C 1.054 176.738 175.900 -0.360 0.000 1.111 271 Y CA -0.450 57.226 58.100 -0.708 0.000 1.288 271 Y CB 0.087 38.036 38.460 -0.851 0.000 1.082 271 Y HN -0.059 nan 8.280 nan 0.000 0.536 272 L N 2.154 123.199 121.223 -0.296 0.000 2.453 272 L HA 0.249 4.604 4.340 0.025 0.000 0.261 272 L C -2.029 174.786 176.870 -0.092 0.000 1.179 272 L CA -1.996 52.694 54.840 -0.250 0.000 0.813 272 L CB 0.397 42.118 42.059 -0.562 0.000 1.110 272 L HN -0.128 nan 8.230 nan 0.000 0.466 273 P HA 0.011 nan 4.420 nan 0.000 0.268 273 P C 0.120 177.461 177.300 0.069 0.000 1.208 273 P CA -0.099 63.010 63.100 0.014 0.000 0.777 273 P CB 0.478 32.173 31.700 -0.008 0.000 0.875 274 E N 1.351 121.582 120.200 0.052 0.000 2.068 274 E HA -0.228 4.137 4.350 0.025 0.000 0.207 274 E C 0.353 176.972 176.600 0.033 0.000 1.032 274 E CA 1.403 57.829 56.400 0.043 0.000 0.839 274 E CB -0.282 29.430 29.700 0.020 0.000 0.758 274 E HN 0.486 nan 8.360 nan 0.000 0.457 275 N N 0.492 119.193 118.700 0.001 0.000 2.546 275 N HA 0.033 4.788 4.740 0.025 0.000 0.286 275 N C 0.650 176.094 175.510 -0.110 0.000 1.259 275 N CA -0.035 52.971 53.050 -0.072 0.000 0.939 275 N CB 0.277 38.736 38.487 -0.048 0.000 1.243 275 N HN 0.327 nan 8.380 nan 0.000 0.511 276 Y N 0.634 120.878 120.300 -0.094 0.000 2.241 276 Y HA -0.122 4.442 4.550 0.025 0.000 0.286 276 Y C 2.087 178.011 175.900 0.040 0.000 1.166 276 Y CA 1.241 59.219 58.100 -0.203 0.000 1.203 276 Y CB -0.162 38.022 38.460 -0.460 0.000 0.977 276 Y HN -0.082 nan 8.280 nan 0.000 0.529 277 K N 0.438 120.275 120.400 -0.937 0.000 2.283 277 K HA -0.146 4.189 4.320 0.025 0.000 0.202 277 K C 1.080 177.570 176.600 -0.182 0.000 1.048 277 K CA 1.291 57.229 56.287 -0.581 0.000 0.948 277 K CB -0.161 31.947 32.500 -0.653 0.000 0.742 277 K HN 0.336 nan 8.250 nan 0.000 0.458 278 D N 1.231 121.554 120.400 -0.128 0.000 2.221 278 D HA -0.154 4.501 4.640 0.025 0.000 0.204 278 D C 0.842 177.154 176.300 0.020 0.000 0.982 278 D CA 1.061 55.038 54.000 -0.040 0.000 0.857 278 D CB -0.030 40.756 40.800 -0.023 0.000 0.934 278 D HN 0.269 nan 8.370 nan 0.000 0.475 279 D N -0.672 119.785 120.400 0.095 0.000 2.350 279 D HA 0.020 4.675 4.640 0.025 0.000 0.213 279 D C 1.889 178.229 176.300 0.066 0.000 1.031 279 D CA 0.001 54.067 54.000 0.111 0.000 0.861 279 D CB 0.180 41.112 40.800 0.221 0.000 0.926 279 D HN 0.157 nan 8.370 nan 0.000 0.520 280 M N 0.349 119.984 119.600 0.058 0.000 2.229 280 M HA -0.063 4.432 4.480 0.025 0.000 0.264 280 M C 2.065 178.364 176.300 -0.002 0.000 1.063 280 M CA 0.751 56.066 55.300 0.024 0.000 1.114 280 M CB -0.578 32.030 32.600 0.014 0.000 1.387 280 M HN -0.137 nan 8.290 nan 0.000 0.420 281 S N 0.659 116.358 115.700 -0.002 0.000 2.370 281 S HA -0.160 4.325 4.470 0.025 0.000 0.226 281 S C 1.744 176.339 174.600 -0.008 0.000 1.033 281 S CA 1.379 59.575 58.200 -0.006 0.000 1.011 281 S CB -0.158 63.039 63.200 -0.005 0.000 0.852 281 S HN 0.451 nan 8.310 nan 0.000 0.457 282 E N 1.029 121.226 120.200 -0.005 0.000 2.152 282 E HA 0.076 4.441 4.350 0.025 0.000 0.192 282 E C 1.829 178.420 176.600 -0.015 0.000 0.983 282 E CA 0.513 56.907 56.400 -0.010 0.000 0.818 282 E CB -0.248 29.449 29.700 -0.005 0.000 0.758 282 E HN 0.472 nan 8.360 nan 0.000 0.467 283 I N 1.016 121.578 120.570 -0.014 0.000 2.493 283 I HA -0.248 3.937 4.170 0.025 0.000 0.254 283 I C 1.554 177.662 176.117 -0.014 0.000 1.160 283 I CA 1.017 62.311 61.300 -0.009 0.000 1.445 283 I CB -0.129 37.850 38.000 -0.035 0.000 1.086 283 I HN 0.110 nan 8.210 nan 0.000 0.433 284 Q N 0.752 120.532 119.800 -0.034 0.000 2.431 284 Q HA -0.073 4.282 4.340 0.025 0.000 0.210 284 Q C 0.305 176.268 176.000 -0.062 0.000 0.958 284 Q CA -0.039 55.729 55.803 -0.059 0.000 0.957 284 Q CB -0.241 28.474 28.738 -0.039 0.000 1.007 284 Q HN 0.283 nan 8.270 nan 0.000 0.511 285 E N 2.790 122.961 120.200 -0.048 0.000 2.694 285 E HA -0.132 4.232 4.350 0.025 0.000 0.250 285 E C -0.317 176.241 176.600 -0.069 0.000 0.963 285 E CA 0.355 56.721 56.400 -0.056 0.000 0.949 285 E CB 0.329 29.984 29.700 -0.075 0.000 0.911 285 E HN 0.023 nan 8.360 nan 0.000 0.500 286 K N 5.554 125.922 120.400 -0.053 0.000 2.451 286 K HA 0.073 4.407 4.320 0.025 0.000 0.280 286 K C 0.053 176.626 176.600 -0.045 0.000 1.020 286 K CA -0.178 56.081 56.287 -0.048 0.000 1.008 286 K CB 0.080 32.580 32.500 -0.000 0.000 0.917 286 K HN 0.605 nan 8.250 nan 0.000 0.478 287 I N 0.500 121.037 120.570 -0.055 0.000 2.707 287 I HA 0.299 4.484 4.170 0.025 0.000 0.309 287 I C -0.254 175.882 176.117 0.032 0.000 1.001 287 I CA -0.892 60.382 61.300 -0.043 0.000 1.129 287 I CB 1.821 39.784 38.000 -0.062 0.000 1.308 287 I HN 0.575 nan 8.210 nan 0.000 0.466 288 D N 2.469 122.888 120.400 0.030 0.000 2.324 288 D HA 0.167 4.822 4.640 0.025 0.000 0.212 288 D C -0.108 176.391 176.300 0.331 0.000 0.984 288 D CA 1.258 55.370 54.000 0.186 0.000 0.885 288 D CB 0.450 41.400 40.800 0.251 0.000 0.996 288 D HN 0.563 nan 8.370 nan 0.000 0.505 289 F N -1.209 118.841 119.950 0.167 0.000 2.668 289 F HA 0.598 5.140 4.527 0.024 0.000 0.309 289 F C -1.427 174.494 175.800 0.202 0.000 1.117 289 F CA -1.391 56.743 58.000 0.223 0.000 0.951 289 F CB 1.199 40.418 39.000 0.364 0.000 1.323 289 F HN -0.403 nan 8.300 nan 0.000 0.451 290 V N 1.779 121.935 119.914 0.403 0.000 2.417 290 V HA 0.745 4.880 4.120 0.025 0.000 0.291 290 V C 0.261 176.613 176.094 0.430 0.000 1.024 290 V CA -0.475 61.996 62.300 0.286 0.000 0.861 290 V CB 1.431 33.422 31.823 0.280 0.000 0.985 290 V HN 1.142 nan 8.190 nan 0.000 0.436 291 G N 5.121 114.091 108.800 0.283 0.000 2.322 291 G HA2 0.640 4.615 3.960 0.025 0.000 0.309 291 G HA3 0.640 4.615 3.960 0.025 0.000 0.309 291 G C -0.870 174.149 174.900 0.198 0.000 1.121 291 G CA -0.454 44.818 45.100 0.286 0.000 0.886 291 G HN 0.589 nan 8.290 nan 0.000 0.447 292 L N 2.709 124.087 121.223 0.259 0.000 2.313 292 L HA 0.374 4.729 4.340 0.025 0.000 0.283 292 L C -0.607 176.422 176.870 0.265 0.000 1.013 292 L CA -1.163 53.853 54.840 0.294 0.000 0.816 292 L CB 1.735 43.983 42.059 0.314 0.000 1.236 292 L HN 0.357 nan 8.230 nan 0.000 0.419 293 N N 2.350 121.210 118.700 0.266 0.000 2.456 293 N HA 0.466 5.221 4.740 0.025 0.000 0.288 293 N C -1.327 174.390 175.510 0.345 0.000 1.059 293 N CA -0.246 52.953 53.050 0.248 0.000 0.946 293 N CB 1.702 40.334 38.487 0.242 0.000 1.150 293 N HN 0.422 nan 8.380 nan 0.000 0.479 294 Y N 1.240 121.604 120.300 0.107 0.000 2.479 294 Y HA 0.356 4.921 4.550 0.025 0.000 0.338 294 Y C -1.081 174.811 175.900 -0.014 0.000 1.055 294 Y CA -0.515 57.681 58.100 0.160 0.000 1.023 294 Y CB 0.869 39.462 38.460 0.222 0.000 1.287 294 Y HN 0.601 nan 8.280 nan 0.000 0.447 295 Y N 1.553 121.358 120.300 -0.824 0.000 2.713 295 Y HA 0.380 4.944 4.550 0.024 0.000 0.265 295 Y C 0.538 176.169 175.900 -0.449 0.000 1.177 295 Y CA 0.389 58.279 58.100 -0.350 0.000 1.144 295 Y CB 1.106 39.493 38.460 -0.123 0.000 1.360 295 Y HN 0.490 nan 8.280 nan 0.000 0.491 296 S N -0.747 114.560 115.700 -0.655 0.000 2.607 296 S HA 0.744 5.229 4.470 0.025 0.000 0.273 296 S C -0.688 173.722 174.600 -0.316 0.000 1.148 296 S CA -0.238 57.776 58.200 -0.310 0.000 0.833 296 S CB 1.440 64.438 63.200 -0.336 0.000 1.130 296 S HN 0.344 nan 8.310 nan 0.000 0.470 297 G N 1.293 109.933 108.800 -0.267 0.000 2.473 297 G HA2 0.722 4.697 3.960 0.025 0.000 0.321 297 G HA3 0.722 4.697 3.960 0.025 0.000 0.321 297 G C -1.714 172.790 174.900 -0.660 0.000 1.200 297 G CA -0.414 44.507 45.100 -0.299 0.000 0.963 297 G HN 0.703 nan 8.290 nan 0.000 0.483 298 H N 0.080 119.107 119.070 -0.072 0.000 2.947 298 H HA 0.303 4.873 4.556 0.023 0.000 0.354 298 H C -1.285 174.104 175.328 0.101 0.000 1.085 298 H CA -0.581 55.541 56.048 0.122 0.000 1.253 298 H CB 2.448 32.453 29.762 0.405 0.000 1.757 298 H HN 0.406 nan 8.280 nan 0.000 0.523 299 L N 2.940 124.302 121.223 0.233 0.000 2.312 299 L HA 0.460 4.814 4.340 0.025 0.000 0.281 299 L C -0.763 176.198 176.870 0.151 0.000 1.070 299 L CA -0.294 54.622 54.840 0.127 0.000 0.805 299 L CB 1.073 43.184 42.059 0.086 0.000 1.174 299 L HN 0.389 nan 8.230 nan 0.000 0.434 300 V N 4.770 124.717 119.914 0.054 0.000 2.925 300 V HA 0.661 4.796 4.120 0.025 0.000 0.311 300 V C -0.858 175.213 176.094 -0.038 0.000 1.104 300 V CA -0.741 61.529 62.300 -0.049 0.000 0.954 300 V CB 2.413 34.162 31.823 -0.123 0.000 1.022 300 V HN 0.896 nan 8.190 nan 0.000 0.427 301 K N 2.804 123.167 120.400 -0.061 0.000 2.512 301 K HA 0.631 4.966 4.320 0.025 0.000 0.263 301 K C -1.028 175.572 176.600 -0.001 0.000 0.966 301 K CA -0.739 55.547 56.287 -0.002 0.000 0.851 301 K CB 2.111 34.622 32.500 0.019 0.000 1.395 301 K HN 0.373 nan 8.250 nan 0.000 0.440 302 F N 2.121 122.021 119.950 -0.084 0.000 2.518 302 F HA 0.247 4.791 4.527 0.029 0.000 0.359 302 F C -0.462 175.291 175.800 -0.078 0.000 1.118 302 F CA 0.869 58.813 58.000 -0.093 0.000 1.287 302 F CB 0.799 39.754 39.000 -0.076 0.000 1.132 302 F HN 0.734 nan 8.300 nan 0.000 0.587 303 D N 7.055 126.896 120.400 -0.931 0.000 2.591 303 D HA 0.254 4.909 4.640 0.025 0.000 0.222 303 D C -2.485 173.337 176.300 -0.797 0.000 1.360 303 D CA -1.722 51.890 54.000 -0.646 0.000 0.967 303 D CB 2.015 42.627 40.800 -0.313 0.000 1.456 303 D HN 0.148 nan 8.370 nan 0.000 0.588 304 P HA 0.104 nan 4.420 nan 0.000 0.237 304 P C 0.258 177.410 177.300 -0.246 0.000 1.178 304 P CA 0.548 63.379 63.100 -0.449 0.000 0.766 304 P CB 0.518 32.109 31.700 -0.182 0.000 0.876 305 D N -1.341 118.932 120.400 -0.212 0.000 2.389 305 D HA 0.170 4.825 4.640 0.025 0.000 0.206 305 D C 1.086 177.318 176.300 -0.113 0.000 1.055 305 D CA 0.167 54.093 54.000 -0.124 0.000 0.856 305 D CB 0.068 40.816 40.800 -0.086 0.000 0.957 305 D HN 0.070 nan 8.370 nan 0.000 0.509 309 K N -1.008 119.148 120.400 -0.407 0.000 3.230 309 K HA -0.150 4.185 4.320 0.025 0.000 0.285 309 K C -0.600 175.731 176.600 -0.448 0.000 1.196 309 K CA 1.099 57.116 56.287 -0.450 0.000 0.838 309 K CB -1.888 30.386 32.500 -0.377 0.000 1.262 309 K HN 0.664 nan 8.250 nan 0.000 0.492 310 V N 0.817 120.519 119.914 -0.353 0.000 2.623 310 V HA 0.452 4.587 4.120 0.025 0.000 0.304 310 V C -0.133 175.807 176.094 -0.256 0.000 1.054 310 V CA -0.460 61.666 62.300 -0.289 0.000 0.882 310 V CB 2.009 33.671 31.823 -0.269 0.000 1.002 310 V HN 0.277 nan 8.190 nan 0.000 0.424 311 S N 3.597 119.163 115.700 -0.225 0.000 2.536 311 S HA 0.837 5.322 4.470 0.025 0.000 0.298 311 S C -0.827 173.677 174.600 -0.160 0.000 1.083 311 S CA -0.636 57.483 58.200 -0.136 0.000 0.995 311 S CB 1.531 64.702 63.200 -0.047 0.000 1.058 311 S HN 0.301 nan 8.310 nan 0.000 0.488 312 F N 0.990 120.955 119.950 0.026 0.000 2.418 312 F HA 0.507 5.051 4.527 0.028 0.000 0.341 312 F C 0.203 176.041 175.800 0.062 0.000 1.120 312 F CA -0.403 57.637 58.000 0.067 0.000 1.232 312 F CB 1.043 40.094 39.000 0.085 0.000 1.175 312 F HN 0.337 nan 8.300 nan 0.000 0.569 313 V N 2.308 122.379 119.914 0.261 0.000 2.443 313 V HA 0.190 4.325 4.120 0.025 0.000 0.293 313 V C -0.170 176.025 176.094 0.169 0.000 1.021 313 V CA -1.109 61.289 62.300 0.164 0.000 0.848 313 V CB 1.385 33.268 31.823 0.101 0.000 0.998 313 V HN 0.704 nan 8.190 nan 0.000 0.424 314 E N 4.281 124.566 120.200 0.140 0.000 2.392 314 E HA 0.340 4.705 4.350 0.025 0.000 0.264 314 E C -0.158 176.501 176.600 0.099 0.000 1.024 314 E CA -0.053 56.421 56.400 0.123 0.000 0.903 314 E CB 0.812 30.573 29.700 0.100 0.000 0.963 314 E HN 0.535 nan 8.360 nan 0.000 0.432 315 R N 2.346 122.903 120.500 0.095 0.000 2.930 315 R HA 0.194 4.549 4.340 0.025 0.000 0.257 315 R C -0.138 176.207 176.300 0.076 0.000 1.107 315 R CA -0.891 55.256 56.100 0.078 0.000 0.999 315 R CB 0.879 31.223 30.300 0.074 0.000 1.209 315 R HN 0.511 nan 8.270 nan 0.000 0.486 316 D N 0.495 120.936 120.400 0.068 0.000 2.083 316 D HA 0.055 4.710 4.640 0.025 0.000 0.225 316 D C 0.226 176.575 176.300 0.081 0.000 0.974 316 D CA 0.819 54.860 54.000 0.069 0.000 0.906 316 D CB -0.086 40.750 40.800 0.059 0.000 1.028 316 D HN 0.052 nan 8.370 nan 0.000 0.446 317 L N -0.308 120.963 121.223 0.081 0.000 1.960 317 L HA -0.200 4.155 4.340 0.025 0.000 0.402 317 L C -2.268 174.670 176.870 0.114 0.000 1.002 317 L CA 0.061 54.959 54.840 0.097 0.000 1.135 317 L CB -1.734 40.389 42.059 0.106 0.000 0.118 317 L HN 0.172 nan 8.230 nan 0.000 0.480 318 P HA 0.190 nan 4.420 nan 0.000 0.265 318 P C -0.434 176.984 177.300 0.196 0.000 1.193 318 P CA 0.220 63.418 63.100 0.163 0.000 0.765 318 P CB 0.582 32.394 31.700 0.187 0.000 0.823 319 K N 0.816 121.327 120.400 0.185 0.000 2.281 319 K HA 0.542 4.876 4.320 0.025 0.000 0.242 319 K C 0.478 177.164 176.600 0.144 0.000 0.971 319 K CA -0.766 55.619 56.287 0.164 0.000 0.834 319 K CB 1.490 34.059 32.500 0.115 0.000 1.181 319 K HN 0.426 nan 8.250 nan 0.000 0.435 320 T N -2.241 112.297 114.554 -0.028 0.000 2.849 320 T HA 0.299 4.664 4.350 0.025 0.000 0.276 320 T C 1.322 175.834 174.700 -0.314 0.000 0.971 320 T CA -0.270 61.596 62.100 -0.390 0.000 0.949 320 T CB 1.241 69.658 68.868 -0.751 0.000 1.093 320 T HN 0.553 nan 8.240 nan 0.000 0.545 321 A N 0.535 123.098 122.820 -0.428 0.000 2.084 321 A HA -0.038 4.297 4.320 0.025 0.000 0.221 321 A C 2.230 179.598 177.584 -0.359 0.000 1.161 321 A CA 1.311 53.169 52.037 -0.298 0.000 0.653 321 A CB -0.940 17.885 19.000 -0.291 0.000 0.802 321 A HN 0.772 nan 8.150 nan 0.000 0.457 322 M N -1.858 117.388 119.600 -0.589 0.000 2.562 322 M HA 0.103 4.598 4.480 0.025 0.000 0.257 322 M C 1.608 177.634 176.300 -0.456 0.000 1.099 322 M CA 1.023 55.880 55.300 -0.739 0.000 1.099 322 M CB -1.149 30.396 32.600 -1.759 0.000 1.427 322 M HN 0.834 nan 8.290 nan 0.000 0.489 323 G N -0.447 108.203 108.800 -0.249 0.000 2.141 323 G HA2 -0.182 3.793 3.960 0.025 0.000 0.242 323 G HA3 -0.182 3.793 3.960 0.025 0.000 0.242 323 G C -0.592 174.416 174.900 0.181 0.000 0.982 323 G CA -0.327 44.768 45.100 -0.009 0.000 0.662 323 G HN 0.385 nan 8.290 nan 0.000 0.527 324 W N 1.799 123.093 121.300 -0.010 0.000 2.338 324 W HA 0.598 5.274 4.660 0.027 0.000 0.307 324 W C 0.553 177.088 176.519 0.025 0.000 1.167 324 W CA -1.712 55.634 57.345 0.002 0.000 1.208 324 W CB 0.218 29.683 29.460 0.009 0.000 1.228 324 W HN 0.238 nan 8.180 nan 0.000 0.499 325 E N 2.791 123.122 120.200 0.218 0.000 2.344 325 E HA 0.140 4.505 4.350 0.025 0.000 0.270 325 E C -0.121 176.618 176.600 0.231 0.000 1.021 325 E CA -0.086 56.416 56.400 0.169 0.000 0.887 325 E CB 0.869 30.619 29.700 0.084 0.000 0.997 325 E HN 0.237 nan 8.360 nan 0.000 0.429 326 I N 3.631 124.376 120.570 0.293 0.000 2.308 326 I HA 0.063 4.248 4.170 0.025 0.000 0.293 326 I C -0.487 175.795 176.117 0.275 0.000 1.078 326 I CA -0.350 61.184 61.300 0.391 0.000 1.292 326 I CB 0.428 38.697 38.000 0.448 0.000 1.423 326 I HN 0.234 nan 8.210 nan 0.000 0.493 327 V N 8.642 128.740 119.914 0.307 0.000 2.383 327 V HA 0.181 4.316 4.120 0.025 0.000 0.261 327 V C -1.764 174.466 176.094 0.226 0.000 0.987 327 V CA -0.916 61.535 62.300 0.251 0.000 0.853 327 V CB 1.042 33.040 31.823 0.291 0.000 1.095 327 V HN 0.546 nan 8.190 nan 0.000 0.461 328 P HA -0.166 nan 4.420 nan 0.000 0.219 328 P C 1.573 178.754 177.300 -0.198 0.000 1.146 328 P CA 1.039 63.831 63.100 -0.514 0.000 0.808 328 P CB 0.305 31.675 31.700 -0.549 0.000 0.779 329 E N -0.269 119.900 120.200 -0.053 0.000 2.418 329 E HA -0.062 4.303 4.350 0.025 0.000 0.197 329 E C 1.974 178.490 176.600 -0.141 0.000 1.026 329 E CA 1.276 57.660 56.400 -0.027 0.000 0.862 329 E CB -1.371 28.341 29.700 0.021 0.000 0.799 329 E HN 0.192 nan 8.360 nan 0.000 0.518 330 G N 1.921 110.615 108.800 -0.177 0.000 2.432 330 G HA2 -0.214 3.760 3.960 0.025 0.000 0.219 330 G HA3 -0.214 3.760 3.960 0.025 0.000 0.219 330 G C 1.576 176.040 174.900 -0.727 0.000 1.135 330 G CA 0.617 45.438 45.100 -0.465 0.000 0.767 330 G HN 0.348 nan 8.290 nan 0.000 0.550 331 I N -0.934 119.205 120.570 -0.718 0.000 2.439 331 I HA -0.030 4.155 4.170 0.025 0.000 0.251 331 I C 2.347 178.409 176.117 -0.091 0.000 1.139 331 I CA 0.787 61.812 61.300 -0.457 0.000 1.438 331 I CB 0.015 38.012 38.000 -0.004 0.000 1.085 331 I HN 0.354 nan 8.210 nan 0.000 0.427 332 Y N 0.003 120.219 120.300 -0.141 0.000 2.163 332 Y HA -0.315 4.247 4.550 0.020 0.000 0.288 332 Y C 2.254 178.100 175.900 -0.089 0.000 1.136 332 Y CA 1.890 59.943 58.100 -0.079 0.000 1.147 332 Y CB -0.705 37.720 38.460 -0.059 0.000 0.987 332 Y HN 0.321 nan 8.280 nan 0.000 0.509 333 W N 0.755 121.805 121.300 -0.417 0.000 2.335 333 W HA -0.287 4.380 4.660 0.011 0.000 0.311 333 W C 2.139 178.470 176.519 -0.314 0.000 1.213 333 W CA 2.363 59.412 57.345 -0.494 0.000 1.274 333 W CB -0.552 28.485 29.460 -0.704 0.000 1.148 333 W HN 0.244 nan 8.180 nan 0.000 0.498 334 I N 0.316 120.896 120.570 0.018 0.000 2.315 334 I HA -0.240 3.945 4.170 0.025 0.000 0.248 334 I C 2.241 178.321 176.117 -0.062 0.000 1.117 334 I CA 1.588 62.956 61.300 0.112 0.000 1.404 334 I CB -0.620 37.577 38.000 0.327 0.000 1.071 334 I HN 0.013 nan 8.210 nan 0.000 0.419 335 L N -0.279 120.863 121.223 -0.135 0.000 2.072 335 L HA -0.161 4.194 4.340 0.025 0.000 0.205 335 L C 2.511 179.222 176.870 -0.265 0.000 1.079 335 L CA 0.958 55.714 54.840 -0.141 0.000 0.752 335 L CB -0.730 41.288 42.059 -0.069 0.000 0.906 335 L HN 0.080 nan 8.230 nan 0.000 0.436 336 K N 0.300 120.430 120.400 -0.450 0.000 2.025 336 K HA -0.184 4.151 4.320 0.025 0.000 0.207 336 K C 2.123 178.454 176.600 -0.448 0.000 1.049 336 K CA 1.186 57.176 56.287 -0.494 0.000 0.933 336 K CB -0.233 31.831 32.500 -0.725 0.000 0.714 336 K HN 0.005 nan 8.250 nan 0.000 0.438 337 K N 1.302 121.346 120.400 -0.593 0.000 2.097 337 K HA -0.080 4.255 4.320 0.025 0.000 0.206 337 K C 1.986 178.468 176.600 -0.197 0.000 1.049 337 K CA 0.734 56.706 56.287 -0.525 0.000 0.933 337 K CB -0.577 31.338 32.500 -0.975 0.000 0.717 337 K HN -0.053 nan 8.250 nan 0.000 0.442 338 V N 0.708 120.497 119.914 -0.208 0.000 2.427 338 V HA -0.210 3.925 4.120 0.025 0.000 0.248 338 V C 2.249 178.206 176.094 -0.228 0.000 1.051 338 V CA 1.944 64.028 62.300 -0.361 0.000 1.048 338 V CB -0.277 31.176 31.823 -0.616 0.000 0.666 338 V HN 0.401 nan 8.190 nan 0.000 0.456 339 K N -0.395 119.880 120.400 -0.208 0.000 2.057 339 K HA -0.191 4.144 4.320 0.025 0.000 0.206 339 K C 2.040 178.531 176.600 -0.181 0.000 1.050 339 K CA 1.919 58.102 56.287 -0.173 0.000 0.935 339 K CB -0.157 32.250 32.500 -0.156 0.000 0.715 339 K HN 0.611 nan 8.250 nan 0.000 0.439 340 E N 0.239 120.317 120.200 -0.203 0.000 2.106 340 E HA -0.168 4.197 4.350 0.025 0.000 0.192 340 E C 1.875 178.341 176.600 -0.223 0.000 0.984 340 E CA 1.279 57.562 56.400 -0.194 0.000 0.806 340 E CB 0.147 29.726 29.700 -0.202 0.000 0.750 340 E HN 0.417 nan 8.360 nan 0.000 0.458 341 E N -0.711 119.321 120.200 -0.279 0.000 2.086 341 E HA -0.080 4.285 4.350 0.025 0.000 0.190 341 E C 1.018 177.167 176.600 -0.752 0.000 0.975 341 E CA 0.823 56.916 56.400 -0.510 0.000 0.813 341 E CB 0.239 29.613 29.700 -0.544 0.000 0.768 341 E HN 0.290 nan 8.360 nan 0.000 0.457 342 Y N -0.761 119.434 120.300 -0.175 0.000 2.423 342 Y HA 0.200 4.767 4.550 0.028 0.000 0.257 342 Y C 0.224 175.827 175.900 -0.495 0.000 1.087 342 Y CA -0.450 57.417 58.100 -0.387 0.000 1.258 342 Y CB 0.348 38.536 38.460 -0.453 0.000 1.237 342 Y HN -0.109 nan 8.280 nan 0.000 0.517 343 N N 1.384 119.957 118.700 -0.212 0.000 2.688 343 N HA -0.130 4.625 4.740 0.025 0.000 0.258 343 N C -2.870 172.539 175.510 -0.168 0.000 1.016 343 N CA 0.104 53.053 53.050 -0.169 0.000 0.747 343 N CB -0.379 38.028 38.487 -0.134 0.000 0.895 343 N HN 0.143 nan 8.380 nan 0.000 0.543 344 P HA 0.111 nan 4.420 nan 0.000 0.269 344 P C -1.732 175.604 177.300 0.059 0.000 1.209 344 P CA -1.008 62.101 63.100 0.015 0.000 0.776 344 P CB 0.566 32.327 31.700 0.102 0.000 0.876 345 P HA -0.051 nan 4.420 nan 0.000 0.217 345 P C 0.064 177.421 177.300 0.094 0.000 1.151 345 P CA 1.475 64.635 63.100 0.101 0.000 0.828 345 P CB 0.546 32.325 31.700 0.133 0.000 0.788 346 E N -0.911 119.379 120.200 0.150 0.000 2.314 346 E HA 0.491 4.856 4.350 0.025 0.000 0.272 346 E C -1.235 175.461 176.600 0.160 0.000 0.884 346 E CA -0.940 55.528 56.400 0.114 0.000 0.753 346 E CB 3.029 32.831 29.700 0.170 0.000 1.213 346 E HN -0.281 nan 8.360 nan 0.000 0.432 347 V N 2.368 122.292 119.914 0.018 0.000 2.769 347 V HA 0.479 4.614 4.120 0.025 0.000 0.312 347 V C -1.271 174.767 176.094 -0.093 0.000 1.061 347 V CA -0.798 61.553 62.300 0.087 0.000 0.931 347 V CB 1.169 33.029 31.823 0.062 0.000 1.010 347 V HN 0.589 nan 8.190 nan 0.000 0.433 348 Y N 2.415 122.818 120.300 0.172 0.000 2.499 348 Y HA 0.563 5.128 4.550 0.025 0.000 0.347 348 Y C -0.062 175.944 175.900 0.176 0.000 0.987 348 Y CA -1.052 57.121 58.100 0.121 0.000 1.044 348 Y CB 1.915 40.407 38.460 0.054 0.000 1.245 348 Y HN 0.338 nan 8.280 nan 0.000 0.461 349 I N 2.984 123.769 120.570 0.358 0.000 2.308 349 I HA 0.062 4.247 4.170 0.025 0.000 0.293 349 I C 1.025 177.299 176.117 0.263 0.000 1.078 349 I CA 0.107 61.589 61.300 0.304 0.000 1.292 349 I CB 0.536 38.756 38.000 0.366 0.000 1.423 349 I HN 0.820 nan 8.210 nan 0.000 0.493 350 T N 2.271 116.931 114.554 0.176 0.000 3.065 350 T HA 0.238 4.603 4.350 0.025 0.000 0.252 350 T C 0.536 175.271 174.700 0.058 0.000 1.099 350 T CA 0.127 62.238 62.100 0.017 0.000 1.063 350 T CB 0.345 69.172 68.868 -0.068 0.000 0.948 350 T HN 0.559 nan 8.240 nan 0.000 0.506 351 E N 0.823 121.075 120.200 0.085 0.000 2.354 351 E HA 0.429 4.794 4.350 0.025 0.000 0.283 351 E C -1.504 175.008 176.600 -0.146 0.000 0.938 351 E CA -0.735 55.717 56.400 0.087 0.000 0.777 351 E CB 1.862 31.675 29.700 0.188 0.000 1.222 351 E HN 0.231 nan 8.360 nan 0.000 0.423 352 N N 1.787 120.364 118.700 -0.204 0.000 2.431 352 N HA 0.604 5.359 4.740 0.025 0.000 0.275 352 N C -1.261 174.236 175.510 -0.022 0.000 1.091 352 N CA -0.238 52.635 53.050 -0.295 0.000 0.922 352 N CB 2.198 40.704 38.487 0.032 0.000 1.666 352 N HN 0.643 nan 8.380 nan 0.000 0.484 353 G N 0.697 109.519 108.800 0.036 0.000 2.342 353 G HA2 0.717 4.692 3.960 0.025 0.000 0.297 353 G HA3 0.717 4.692 3.960 0.025 0.000 0.297 353 G C -2.131 172.753 174.900 -0.026 0.000 1.313 353 G CA -0.039 45.219 45.100 0.264 0.000 0.830 353 G HN 0.747 nan 8.290 nan 0.000 0.506 354 A N -1.409 121.325 122.820 -0.144 0.000 2.594 354 A HA 0.995 5.330 4.320 0.025 0.000 0.295 354 A C -0.328 176.697 177.584 -0.932 0.000 1.071 354 A CA 0.239 51.882 52.037 -0.657 0.000 0.685 354 A CB 1.387 19.687 19.000 -1.167 0.000 1.285 354 A HN 2.425 nan 8.150 nan 0.000 0.405 355 A N 0.897 122.833 122.820 -1.475 0.000 2.292 355 A HA 0.866 5.201 4.320 0.025 0.000 0.319 355 A C -1.115 175.821 177.584 -1.081 0.000 1.206 355 A CA -0.136 51.108 52.037 -1.322 0.000 0.835 355 A CB 0.021 18.141 19.000 -1.467 0.000 1.164 355 A HN 0.864 nan 8.150 nan 0.000 0.505 356 F N -0.092 119.665 119.950 -0.321 0.000 2.643 356 F HA 0.307 4.848 4.527 0.024 0.000 0.314 356 F C -0.360 175.371 175.800 -0.115 0.000 1.096 356 F CA -1.026 56.866 58.000 -0.180 0.000 0.953 356 F CB 1.878 40.805 39.000 -0.122 0.000 1.345 356 F HN 0.539 nan 8.300 nan 0.000 0.468 357 D N 2.136 122.632 120.400 0.160 0.000 2.545 357 D HA 0.068 4.723 4.640 0.025 0.000 0.227 357 D C -0.639 175.723 176.300 0.102 0.000 1.150 357 D CA 0.164 54.218 54.000 0.090 0.000 1.046 357 D CB -0.061 40.779 40.800 0.067 0.000 1.098 357 D HN 0.322 nan 8.370 nan 0.000 0.502 358 D N 0.898 121.376 120.400 0.131 0.000 2.372 358 D HA 0.177 4.832 4.640 0.025 0.000 0.243 358 D C 0.623 177.009 176.300 0.143 0.000 1.121 358 D CA -0.048 54.041 54.000 0.148 0.000 0.898 358 D CB 2.026 42.969 40.800 0.239 0.000 1.202 358 D HN 0.083 nan 8.370 nan 0.000 0.428 359 V N -1.381 118.543 119.914 0.016 0.000 2.808 359 V HA 0.417 4.552 4.120 0.025 0.000 0.308 359 V C -0.224 175.739 176.094 -0.219 0.000 1.099 359 V CA -1.121 61.142 62.300 -0.062 0.000 0.920 359 V CB 1.585 33.397 31.823 -0.018 0.000 1.014 359 V HN 0.204 nan 8.190 nan 0.000 0.425 360 V N 3.003 122.723 119.914 -0.323 0.000 2.432 360 V HA 0.405 4.540 4.120 0.025 0.000 0.271 360 V C 0.861 176.842 176.094 -0.189 0.000 1.046 360 V CA 0.257 62.343 62.300 -0.357 0.000 0.945 360 V CB 0.906 32.476 31.823 -0.421 0.000 0.992 360 V HN 1.037 nan 8.190 nan 0.000 0.471 361 S N 3.227 118.825 115.700 -0.169 0.000 2.632 361 S HA 0.166 4.651 4.470 0.025 0.000 0.267 361 S C 1.281 175.850 174.600 -0.052 0.000 1.276 361 S CA -0.665 57.497 58.200 -0.062 0.000 0.998 361 S CB 0.890 64.107 63.200 0.029 0.000 0.953 361 S HN 0.855 nan 8.310 nan 0.000 0.547 362 E N 1.110 121.302 120.200 -0.014 0.000 2.171 362 E HA -0.231 4.134 4.350 0.025 0.000 0.197 362 E C 0.874 177.466 176.600 -0.013 0.000 0.997 362 E CA 1.426 57.818 56.400 -0.014 0.000 0.810 362 E CB -0.306 29.393 29.700 -0.003 0.000 0.738 362 E HN 0.691 nan 8.360 nan 0.000 0.467 363 D N -0.213 120.191 120.400 0.007 0.000 2.378 363 D HA -0.000 4.655 4.640 0.025 0.000 0.227 363 D C 1.217 177.500 176.300 -0.028 0.000 1.012 363 D CA 0.719 54.724 54.000 0.009 0.000 0.905 363 D CB -0.211 40.628 40.800 0.065 0.000 0.895 363 D HN 0.220 nan 8.370 nan 0.000 0.532 364 G N -0.044 108.718 108.800 -0.064 0.000 2.153 364 G HA2 -0.302 3.673 3.960 0.025 0.000 0.252 364 G HA3 -0.302 3.673 3.960 0.025 0.000 0.252 364 G C 0.137 174.959 174.900 -0.129 0.000 0.994 364 G CA 0.012 45.056 45.100 -0.093 0.000 0.698 364 G HN 0.381 nan 8.290 nan 0.000 0.521 365 R N -1.018 119.368 120.500 -0.190 0.000 2.873 365 R HA 0.691 5.046 4.340 0.025 0.000 0.264 365 R C -0.458 175.567 176.300 -0.459 0.000 1.026 365 R CA -0.788 55.138 56.100 -0.289 0.000 1.002 365 R CB 1.942 32.048 30.300 -0.323 0.000 1.174 365 R HN 0.193 nan 8.270 nan 0.000 0.488 366 V N 3.190 122.866 119.914 -0.396 0.000 2.350 366 V HA 0.207 4.342 4.120 0.025 0.000 0.285 366 V C -0.064 175.870 176.094 -0.267 0.000 1.014 366 V CA -0.700 61.406 62.300 -0.323 0.000 0.831 366 V CB 1.064 32.773 31.823 -0.189 0.000 1.000 366 V HN 0.578 nan 8.190 nan 0.000 0.433 367 H N 3.933 122.992 119.070 -0.017 0.000 2.640 367 H HA 0.163 4.734 4.556 0.025 0.000 0.220 367 H C 0.104 175.413 175.328 -0.032 0.000 1.852 367 H CA -0.532 55.510 56.048 -0.010 0.000 1.275 367 H CB -0.006 29.744 29.762 -0.020 0.000 1.675 367 H HN 0.760 nan 8.280 nan 0.000 0.523 368 D N 0.662 121.089 120.400 0.045 0.000 2.688 368 D HA -0.060 4.595 4.640 0.025 0.000 0.228 368 D C 1.281 177.550 176.300 -0.052 0.000 1.116 368 D CA -0.360 53.633 54.000 -0.012 0.000 1.023 368 D CB 0.576 41.389 40.800 0.022 0.000 1.100 368 D HN 0.186 nan 8.370 nan 0.000 0.487 369 Q N 1.990 121.750 119.800 -0.067 0.000 2.226 369 Q HA -0.231 4.124 4.340 0.025 0.000 0.204 369 Q C 1.247 177.137 176.000 -0.183 0.000 0.975 369 Q CA 1.748 57.487 55.803 -0.107 0.000 0.866 369 Q CB -0.188 28.502 28.738 -0.081 0.000 0.915 369 Q HN 0.487 nan 8.270 nan 0.000 0.440 370 N N -0.165 118.356 118.700 -0.298 0.000 2.120 370 N HA -0.210 4.545 4.740 0.025 0.000 0.188 370 N C 1.624 176.960 175.510 -0.290 0.000 1.024 370 N CA 1.673 54.412 53.050 -0.517 0.000 0.852 370 N CB -0.630 37.143 38.487 -1.190 0.000 1.003 370 N HN 0.291 nan 8.380 nan 0.000 0.424 371 R N 0.348 120.781 120.500 -0.113 0.000 2.092 371 R HA 0.149 4.504 4.340 0.025 0.000 0.231 371 R C 2.098 178.418 176.300 0.033 0.000 1.119 371 R CA 0.762 56.975 56.100 0.189 0.000 0.970 371 R CB -0.231 30.181 30.300 0.188 0.000 0.864 371 R HN 0.221 nan 8.270 nan 0.000 0.440 372 I N 1.113 121.577 120.570 -0.176 0.000 2.163 372 I HA -0.321 3.864 4.170 0.025 0.000 0.243 372 I C 1.724 177.552 176.117 -0.481 0.000 1.085 372 I CA 1.488 62.452 61.300 -0.559 0.000 1.347 372 I CB -0.346 37.270 38.000 -0.640 0.000 1.044 372 I HN 0.196 nan 8.210 nan 0.000 0.408 373 D N -0.002 120.273 120.400 -0.209 0.000 2.092 373 D HA -0.254 4.401 4.640 0.025 0.000 0.193 373 D C 1.928 178.273 176.300 0.074 0.000 0.994 373 D CA 1.487 55.441 54.000 -0.075 0.000 0.828 373 D CB -0.546 40.239 40.800 -0.025 0.000 0.963 373 D HN 0.343 nan 8.370 nan 0.000 0.450 374 Y N 1.387 121.747 120.300 0.099 0.000 2.053 374 Y HA -0.241 4.325 4.550 0.026 0.000 0.277 374 Y C 2.286 178.390 175.900 0.341 0.000 1.159 374 Y CA 1.618 59.890 58.100 0.286 0.000 1.125 374 Y CB -0.563 38.111 38.460 0.357 0.000 0.969 374 Y HN -0.057 nan 8.280 nan 0.000 0.492 375 L N 0.190 121.669 121.223 0.427 0.000 2.046 375 L HA -0.257 4.098 4.340 0.025 0.000 0.208 375 L C 2.665 179.737 176.870 0.337 0.000 1.077 375 L CA 1.910 56.995 54.840 0.409 0.000 0.747 375 L CB -0.648 41.608 42.059 0.329 0.000 0.896 375 L HN 0.205 nan 8.230 nan 0.000 0.432 376 K N 0.301 120.765 120.400 0.107 0.000 2.032 376 K HA -0.214 4.120 4.320 0.025 0.000 0.209 376 K C 2.138 178.868 176.600 0.216 0.000 1.048 376 K CA 1.539 57.981 56.287 0.259 0.000 0.927 376 K CB -0.128 32.436 32.500 0.106 0.000 0.712 376 K HN 0.287 nan 8.250 nan 0.000 0.441 377 A N 0.186 123.075 122.820 0.115 0.000 1.972 377 A HA -0.173 4.162 4.320 0.025 0.000 0.219 377 A C 1.633 179.207 177.584 -0.016 0.000 1.169 377 A CA 1.627 53.675 52.037 0.018 0.000 0.635 377 A CB -0.638 18.322 19.000 -0.067 0.000 0.810 377 A HN 0.426 nan 8.150 nan 0.000 0.446 378 H N -0.816 118.302 119.070 0.080 0.000 2.384 378 H HA 0.171 4.742 4.556 0.025 0.000 0.300 378 H C 1.883 177.354 175.328 0.238 0.000 1.057 378 H CA 1.427 57.568 56.048 0.154 0.000 1.370 378 H CB -0.109 29.755 29.762 0.170 0.000 1.417 378 H HN 0.404 nan 8.280 nan 0.000 0.527 379 I N 0.179 120.955 120.570 0.342 0.000 2.264 379 I HA -0.228 3.957 4.170 0.025 0.000 0.248 379 I C 2.573 178.947 176.117 0.428 0.000 1.111 379 I CA 1.317 62.775 61.300 0.262 0.000 1.382 379 I CB -0.372 37.769 38.000 0.236 0.000 1.060 379 I HN 0.384 nan 8.210 nan 0.000 0.418 380 G N -0.219 108.762 108.800 0.301 0.000 2.402 380 G HA2 -0.207 3.768 3.960 0.025 0.000 0.216 380 G HA3 -0.207 3.768 3.960 0.025 0.000 0.216 380 G C 1.588 176.632 174.900 0.240 0.000 1.162 380 G CA 0.293 45.526 45.100 0.222 0.000 0.777 380 G HN 0.275 nan 8.290 nan 0.000 0.539 381 Q N 0.370 120.281 119.800 0.184 0.000 2.172 381 Q HA 0.091 4.446 4.340 0.025 0.000 0.200 381 Q C 2.936 179.080 176.000 0.240 0.000 0.964 381 Q CA 1.144 57.039 55.803 0.154 0.000 0.855 381 Q CB -0.452 28.332 28.738 0.076 0.000 0.918 381 Q HN 0.451 nan 8.270 nan 0.000 0.444 382 A N 0.051 123.049 122.820 0.297 0.000 1.877 382 A HA -0.189 4.146 4.320 0.025 0.000 0.216 382 A C 1.879 179.587 177.584 0.207 0.000 1.186 382 A CA 1.258 53.483 52.037 0.313 0.000 0.620 382 A CB -1.133 18.130 19.000 0.439 0.000 0.822 382 A HN 0.535 nan 8.150 nan 0.000 0.443 383 W N 1.020 122.291 121.300 -0.049 0.000 2.304 383 W HA -0.287 4.388 4.660 0.024 0.000 0.315 383 W C 2.262 178.620 176.519 -0.268 0.000 1.233 383 W CA 2.635 59.667 57.345 -0.522 0.000 1.261 383 W CB -0.082 29.015 29.460 -0.604 0.000 1.150 383 W HN 0.321 nan 8.180 nan 0.000 0.494 384 K N 0.129 120.591 120.400 0.103 0.000 2.063 384 K HA -0.221 4.114 4.320 0.025 0.000 0.208 384 K C 2.155 178.718 176.600 -0.062 0.000 1.048 384 K CA 1.875 58.134 56.287 -0.046 0.000 0.928 384 K CB -0.607 31.916 32.500 0.039 0.000 0.713 384 K HN 0.179 nan 8.250 nan 0.000 0.442 385 A N 1.593 124.479 122.820 0.110 0.000 1.892 385 A HA -0.187 4.148 4.320 0.025 0.000 0.218 385 A C 2.125 179.649 177.584 -0.099 0.000 1.188 385 A CA 1.849 53.934 52.037 0.081 0.000 0.631 385 A CB -0.709 18.329 19.000 0.063 0.000 0.822 385 A HN 0.392 nan 8.150 nan 0.000 0.447 386 I N -0.350 120.101 120.570 -0.198 0.000 2.208 386 I HA -0.303 3.882 4.170 0.025 0.000 0.245 386 I C 2.490 178.399 176.117 -0.347 0.000 1.097 386 I CA 1.323 62.460 61.300 -0.270 0.000 1.363 386 I CB -0.388 37.393 38.000 -0.366 0.000 1.051 386 I HN 0.348 nan 8.210 nan 0.000 0.413 387 Q N 0.764 120.251 119.800 -0.521 0.000 2.291 387 Q HA -0.180 4.175 4.340 0.025 0.000 0.206 387 Q C 1.324 177.165 176.000 -0.264 0.000 0.976 387 Q CA 1.268 56.767 55.803 -0.506 0.000 0.875 387 Q CB -0.350 27.941 28.738 -0.746 0.000 0.927 387 Q HN 0.643 nan 8.270 nan 0.000 0.450 388 E N -0.867 119.228 120.200 -0.176 0.000 2.465 388 E HA 0.272 4.637 4.350 0.025 0.000 0.195 388 E C 0.446 176.985 176.600 -0.102 0.000 1.028 388 E CA 0.267 56.609 56.400 -0.096 0.000 0.899 388 E CB 0.547 30.241 29.700 -0.010 0.000 1.032 388 E HN 0.394 nan 8.360 nan 0.000 0.468 389 G N 1.080 109.805 108.800 -0.125 0.000 2.144 389 G HA2 -0.244 3.731 3.960 0.025 0.000 0.218 389 G HA3 -0.244 3.731 3.960 0.025 0.000 0.218 389 G C 0.291 175.133 174.900 -0.096 0.000 0.988 389 G CA -0.208 44.830 45.100 -0.105 0.000 0.659 389 G HN 0.155 nan 8.290 nan 0.000 0.522 390 V N 2.515 122.367 119.914 -0.103 0.000 2.479 390 V HA 0.314 4.449 4.120 0.025 0.000 0.281 390 V C -0.775 175.282 176.094 -0.062 0.000 1.031 390 V CA -0.505 61.743 62.300 -0.087 0.000 1.038 390 V CB 1.185 32.953 31.823 -0.091 0.000 0.981 390 V HN 0.251 nan 8.190 nan 0.000 0.478 391 P HA 0.080 nan 4.420 nan 0.000 0.232 391 P C -0.384 176.887 177.300 -0.049 0.000 1.738 391 P CA -0.235 62.842 63.100 -0.038 0.000 0.948 391 P CB 0.086 31.770 31.700 -0.026 0.000 1.943 392 L N 1.641 122.857 121.223 -0.012 0.000 2.315 392 L HA 0.160 4.515 4.340 0.025 0.000 0.283 392 L C 1.179 178.054 176.870 0.009 0.000 1.089 392 L CA 0.478 55.327 54.840 0.014 0.000 0.833 392 L CB 0.610 42.764 42.059 0.159 0.000 1.170 392 L HN -0.149 nan 8.230 nan 0.000 0.442 393 K N 3.886 124.038 120.400 -0.413 0.000 2.354 393 K HA 0.482 4.817 4.320 0.025 0.000 0.194 393 K C 0.431 176.434 176.600 -0.994 0.000 1.038 393 K CA 0.478 56.402 56.287 -0.606 0.000 1.052 393 K CB 0.891 32.914 32.500 -0.796 0.000 0.861 393 K HN 0.757 nan 8.250 nan 0.000 0.535 394 G N 0.302 108.469 108.800 -1.054 0.000 2.466 394 G HA2 0.386 4.361 3.960 0.025 0.000 0.291 394 G HA3 0.386 4.361 3.960 0.025 0.000 0.291 394 G C -2.350 172.315 174.900 -0.391 0.000 1.460 394 G CA -0.665 43.751 45.100 -1.141 0.000 0.791 394 G HN 0.005 nan 8.290 nan 0.000 0.505 395 Y N 0.004 119.977 120.300 -0.545 0.000 2.399 395 Y HA 0.737 5.301 4.550 0.024 0.000 0.327 395 Y C -2.105 173.765 175.900 -0.049 0.000 1.111 395 Y CA -1.689 56.395 58.100 -0.027 0.000 1.047 395 Y CB 1.517 40.060 38.460 0.139 0.000 1.259 395 Y HN 0.479 nan 8.280 nan 0.000 0.434 396 F N 5.393 125.150 119.950 -0.322 0.000 2.482 396 F HA 0.607 5.148 4.527 0.024 0.000 0.331 396 F C -0.484 175.127 175.800 -0.314 0.000 1.115 396 F CA -1.194 56.707 58.000 -0.165 0.000 0.955 396 F CB 1.825 40.765 39.000 -0.100 0.000 1.136 396 F HN 0.240 nan 8.300 nan 0.000 0.452 397 V N 3.408 123.318 119.914 -0.007 0.000 2.461 397 V HA 0.019 4.154 4.120 0.025 0.000 0.275 397 V C -0.416 175.753 176.094 0.125 0.000 1.047 397 V CA -0.714 61.562 62.300 -0.039 0.000 0.955 397 V CB 1.007 32.697 31.823 -0.222 0.000 0.988 397 V HN 0.732 nan 8.190 nan 0.000 0.471 398 W N 5.686 127.012 121.300 0.045 0.000 2.342 398 W HA 0.557 5.232 4.660 0.025 0.000 0.310 398 W C -0.035 176.595 176.519 0.184 0.000 1.128 398 W CA 0.029 57.443 57.345 0.116 0.000 1.322 398 W CB 1.512 31.078 29.460 0.176 0.000 1.251 398 W HN 0.624 nan 8.180 nan 0.000 0.439 399 S N 4.236 119.788 115.700 -0.247 0.000 2.661 399 S HA 0.285 4.770 4.470 0.025 0.000 0.285 399 S C 0.384 174.805 174.600 -0.299 0.000 1.138 399 S CA -0.716 57.070 58.200 -0.690 0.000 0.855 399 S CB 1.482 63.863 63.200 -1.365 0.000 1.136 399 S HN 0.523 nan 8.310 nan 0.000 0.484 400 L N 2.554 123.626 121.223 -0.251 0.000 2.012 400 L HA 0.292 4.647 4.340 0.025 0.000 0.210 400 L C -0.054 176.733 176.870 -0.139 0.000 1.073 400 L CA 1.977 56.738 54.840 -0.131 0.000 0.748 400 L CB -0.411 41.592 42.059 -0.094 0.000 0.891 400 L HN 0.637 nan 8.230 nan 0.000 0.431 401 L N -0.273 120.837 121.223 -0.187 0.000 2.354 401 L HA 0.369 4.724 4.340 0.025 0.000 0.269 401 L C -0.526 176.273 176.870 -0.118 0.000 1.005 401 L CA -1.263 53.497 54.840 -0.133 0.000 0.819 401 L CB 1.311 43.308 42.059 -0.103 0.000 1.311 401 L HN -0.122 nan 8.230 nan 0.000 0.423 402 D N 1.945 122.294 120.400 -0.085 0.000 2.472 402 D HA 0.183 4.838 4.640 0.025 0.000 0.237 402 D C -0.445 175.925 176.300 0.117 0.000 1.141 402 D CA 0.617 54.612 54.000 -0.008 0.000 0.875 402 D CB 0.575 41.295 40.800 -0.132 0.000 1.192 402 D HN 0.656 nan 8.370 nan 0.000 0.450 403 N N -0.644 118.179 118.700 0.205 0.000 3.364 403 N HA 0.231 4.986 4.740 0.025 0.000 0.294 403 N C -1.404 174.196 175.510 0.149 0.000 1.562 403 N CA -0.913 52.273 53.050 0.227 0.000 0.862 403 N CB 0.139 38.644 38.487 0.029 0.000 1.691 403 N HN 0.200 nan 8.380 nan 0.000 0.572 404 F N 0.958 120.785 119.950 -0.206 0.000 2.490 404 F HA 0.279 4.821 4.527 0.025 0.000 0.357 404 F C 0.698 176.104 175.800 -0.657 0.000 1.166 404 F CA -0.307 57.266 58.000 -0.711 0.000 1.116 404 F CB 0.386 38.937 39.000 -0.748 0.000 1.171 404 F HN 0.630 nan 8.300 nan 0.000 0.576 405 E N 7.269 126.944 120.200 -0.875 0.000 2.392 405 E HA 0.168 4.533 4.350 0.025 0.000 0.307 405 E C -0.223 175.968 176.600 -0.681 0.000 1.505 405 E CA -0.059 55.968 56.400 -0.622 0.000 1.716 405 E CB -0.579 29.032 29.700 -0.149 0.000 1.450 405 E HN 0.734 nan 8.360 nan 0.000 0.484 406 W N 0.395 121.059 121.300 -1.059 0.000 2.152 406 W HA -0.470 4.205 4.660 0.025 0.000 0.285 406 W C 1.778 178.069 176.519 -0.380 0.000 1.275 406 W CA 0.709 57.577 57.345 -0.795 0.000 1.220 406 W CB -1.678 27.549 29.460 -0.388 0.000 0.889 406 W HN 0.277 nan 8.180 nan 0.000 0.529 407 A N 0.153 123.253 122.820 0.465 0.000 2.125 407 A HA -0.134 4.201 4.320 0.025 0.000 0.219 407 A C 1.572 179.249 177.584 0.154 0.000 1.156 407 A CA 1.944 54.234 52.037 0.420 0.000 0.671 407 A CB -0.570 18.737 19.000 0.512 0.000 0.794 407 A HN 0.474 nan 8.150 nan 0.000 0.459 408 E N -0.622 119.594 120.200 0.025 0.000 2.435 408 E HA 0.203 4.568 4.350 0.025 0.000 0.195 408 E C 1.501 178.009 176.600 -0.153 0.000 1.029 408 E CA 0.589 56.965 56.400 -0.039 0.000 0.865 408 E CB -0.402 29.281 29.700 -0.029 0.000 0.833 408 E HN 0.636 nan 8.360 nan 0.000 0.510 409 G N 1.385 109.953 108.800 -0.386 0.000 2.566 409 G HA2 -0.357 3.618 3.960 0.025 0.000 0.280 409 G HA3 -0.357 3.618 3.960 0.025 0.000 0.280 409 G C 0.381 174.944 174.900 -0.562 0.000 1.225 409 G CA 0.477 45.257 45.100 -0.534 0.000 0.966 409 G HN 0.309 nan 8.290 nan 0.000 0.560 410 Y N 1.757 122.006 120.300 -0.085 0.000 2.490 410 Y HA 0.249 4.814 4.550 0.025 0.000 0.281 410 Y C 2.980 178.861 175.900 -0.031 0.000 1.174 410 Y CA 1.237 59.265 58.100 -0.120 0.000 1.295 410 Y CB 0.012 38.264 38.460 -0.347 0.000 1.062 410 Y HN 0.631 nan 8.280 nan 0.000 0.522 411 S N -0.555 115.176 115.700 0.051 0.000 2.469 411 S HA -0.059 4.426 4.470 0.025 0.000 0.238 411 S C 0.575 175.181 174.600 0.011 0.000 0.998 411 S CA 0.565 58.790 58.200 0.042 0.000 0.957 411 S CB -0.101 63.108 63.200 0.015 0.000 0.764 411 S HN 0.012 nan 8.310 nan 0.000 0.514 412 K N 1.757 122.155 120.400 -0.003 0.000 2.413 412 K HA 0.429 4.764 4.320 0.025 0.000 0.257 412 K C -0.989 175.622 176.600 0.019 0.000 0.946 412 K CA -0.224 56.034 56.287 -0.048 0.000 0.823 412 K CB 1.775 34.242 32.500 -0.055 0.000 1.109 412 K HN 0.286 nan 8.250 nan 0.000 0.427 413 R N 2.550 123.003 120.500 -0.078 0.000 2.310 413 R HA 0.352 4.707 4.340 0.025 0.000 0.324 413 R C 0.137 176.376 176.300 -0.102 0.000 0.955 413 R CA -0.314 55.778 56.100 -0.013 0.000 0.830 413 R CB 0.580 30.863 30.300 -0.029 0.000 1.154 413 R HN 0.495 nan 8.270 nan 0.000 0.458 414 F N 0.354 120.301 119.950 -0.005 0.000 2.678 414 F HA 0.232 4.774 4.527 0.024 0.000 0.305 414 F C 1.626 177.411 175.800 -0.025 0.000 1.090 414 F CA -0.274 57.744 58.000 0.029 0.000 1.272 414 F CB 0.852 39.985 39.000 0.220 0.000 1.060 414 F HN 0.618 nan 8.300 nan 0.000 0.576 415 G N 0.869 109.715 108.800 0.076 0.000 2.569 415 G HA2 0.302 4.276 3.960 0.025 0.000 0.249 415 G HA3 0.302 4.276 3.960 0.025 0.000 0.249 415 G C 0.967 175.875 174.900 0.012 0.000 1.216 415 G CA -0.364 44.730 45.100 -0.010 0.000 0.845 415 G HN 0.402 nan 8.290 nan 0.000 0.568 416 I N -1.630 118.932 120.570 -0.013 0.000 3.728 416 I HA 0.305 4.490 4.170 0.025 0.000 0.307 416 I C -0.315 175.784 176.117 -0.030 0.000 1.276 416 I CA -0.131 61.171 61.300 0.003 0.000 1.285 416 I CB 0.209 38.220 38.000 0.018 0.000 1.038 416 I HN 0.002 nan 8.210 nan 0.000 0.445 417 V N 1.423 121.313 119.914 -0.040 0.000 2.448 417 V HA 0.293 4.428 4.120 0.025 0.000 0.295 417 V C -0.732 175.355 176.094 -0.012 0.000 1.025 417 V CA -0.713 61.562 62.300 -0.042 0.000 0.859 417 V CB 1.336 33.119 31.823 -0.067 0.000 0.988 417 V HN 0.199 nan 8.190 nan 0.000 0.431 418 Y N 4.879 125.114 120.300 -0.107 0.000 2.346 418 Y HA 0.519 5.084 4.550 0.025 0.000 0.330 418 Y C -0.145 175.651 175.900 -0.174 0.000 1.178 418 Y CA 0.003 58.029 58.100 -0.123 0.000 1.331 418 Y CB 1.267 39.661 38.460 -0.109 0.000 1.253 418 Y HN 0.399 nan 8.280 nan 0.000 0.529 419 V N 6.371 125.901 119.914 -0.641 0.000 2.444 419 V HA 0.162 4.297 4.120 0.025 0.000 0.294 419 V C -0.770 174.789 176.094 -0.892 0.000 1.022 419 V CA -1.083 60.852 62.300 -0.609 0.000 0.850 419 V CB 1.490 32.923 31.823 -0.650 0.000 0.992 419 V HN 0.726 nan 8.190 nan 0.000 0.426 420 D N 3.471 123.666 120.400 -0.341 0.000 2.339 420 D HA 0.176 4.831 4.640 0.025 0.000 0.241 420 D C 0.416 176.554 176.300 -0.270 0.000 1.183 420 D CA -0.103 53.787 54.000 -0.183 0.000 0.859 420 D CB 1.009 41.847 40.800 0.063 0.000 1.067 420 D HN 0.481 nan 8.370 nan 0.000 0.484 421 Y N 1.712 121.953 120.300 -0.098 0.000 2.421 421 Y HA -0.165 4.399 4.550 0.025 0.000 0.292 421 Y C 2.642 178.481 175.900 -0.101 0.000 1.136 421 Y CA 1.032 59.044 58.100 -0.146 0.000 1.255 421 Y CB -0.374 37.941 38.460 -0.240 0.000 0.991 421 Y HN 0.455 nan 8.280 nan 0.000 0.552 422 S N -1.269 114.467 115.700 0.060 0.000 2.406 422 S HA -0.130 4.355 4.470 0.025 0.000 0.228 422 S C 1.770 176.377 174.600 0.013 0.000 1.020 422 S CA 1.484 59.703 58.200 0.032 0.000 0.965 422 S CB -0.806 62.413 63.200 0.031 0.000 0.798 422 S HN 0.503 nan 8.310 nan 0.000 0.488 423 T N -3.531 111.024 114.554 0.002 0.000 2.975 423 T HA 0.293 4.657 4.350 0.025 0.000 0.257 423 T C 0.432 175.123 174.700 -0.016 0.000 1.003 423 T CA 0.093 62.189 62.100 -0.007 0.000 0.932 423 T CB 0.072 68.935 68.868 -0.008 0.000 1.087 423 T HN 0.171 nan 8.240 nan 0.000 0.512 424 Q N 0.268 120.051 119.800 -0.027 0.000 2.460 424 Q HA -0.158 4.196 4.340 0.025 0.000 0.248 424 Q C -0.007 175.961 176.000 -0.053 0.000 0.847 424 Q CA 0.806 56.584 55.803 -0.041 0.000 1.214 424 Q CB -1.728 27.004 28.738 -0.011 0.000 1.523 424 Q HN 0.745 nan 8.270 nan 0.000 0.602 425 K N 1.327 121.699 120.400 -0.046 0.000 2.412 425 K HA 0.189 4.524 4.320 0.025 0.000 0.281 425 K C -0.153 176.428 176.600 -0.032 0.000 1.027 425 K CA 0.022 56.290 56.287 -0.031 0.000 0.989 425 K CB 0.466 32.958 32.500 -0.012 0.000 0.935 425 K HN -0.061 nan 8.250 nan 0.000 0.475 426 R N 3.846 124.328 120.500 -0.030 0.000 2.254 426 R HA 0.369 4.724 4.340 0.025 0.000 0.318 426 R C -0.634 175.667 176.300 0.001 0.000 1.031 426 R CA -0.160 55.926 56.100 -0.023 0.000 0.905 426 R CB 0.730 31.005 30.300 -0.041 0.000 1.050 426 R HN 0.508 nan 8.270 nan 0.000 0.456 427 I N 3.143 123.736 120.570 0.039 0.000 2.411 427 I HA 0.226 4.411 4.170 0.025 0.000 0.284 427 I C -0.388 175.722 176.117 -0.013 0.000 1.012 427 I CA -1.142 60.163 61.300 0.009 0.000 1.119 427 I CB 1.859 39.839 38.000 -0.033 0.000 1.261 427 I HN 0.213 nan 8.210 nan 0.000 0.448 428 V N 6.837 126.707 119.914 -0.073 0.000 2.557 428 V HA -0.037 4.098 4.120 0.025 0.000 0.301 428 V C 0.774 176.738 176.094 -0.217 0.000 1.026 428 V CA 0.128 62.295 62.300 -0.221 0.000 1.137 428 V CB -0.336 31.214 31.823 -0.455 0.000 0.917 428 V HN 0.672 nan 8.190 nan 0.000 0.484 429 K N 3.263 123.560 120.400 -0.172 0.000 2.102 429 K HA 0.215 4.550 4.320 0.025 0.000 0.244 429 K C 0.642 177.215 176.600 -0.044 0.000 1.021 429 K CA -0.768 55.479 56.287 -0.066 0.000 0.913 429 K CB 0.509 33.011 32.500 0.003 0.000 1.062 429 K HN 0.519 nan 8.250 nan 0.000 0.485 430 D N 0.537 121.010 120.400 0.122 0.000 2.149 430 D HA -0.169 4.486 4.640 0.025 0.000 0.198 430 D C 1.866 178.318 176.300 0.254 0.000 0.990 430 D CA 1.694 55.864 54.000 0.283 0.000 0.839 430 D CB -0.273 40.672 40.800 0.243 0.000 0.948 430 D HN 0.547 nan 8.370 nan 0.000 0.460 431 S N -0.139 115.653 115.700 0.154 0.000 2.383 431 S HA -0.135 4.350 4.470 0.025 0.000 0.229 431 S C 2.286 177.053 174.600 0.278 0.000 1.030 431 S CA 1.340 59.665 58.200 0.208 0.000 1.002 431 S CB -1.103 62.169 63.200 0.118 0.000 0.829 431 S HN 0.295 nan 8.310 nan 0.000 0.467 432 G N 0.502 109.347 108.800 0.074 0.000 2.440 432 G HA2 -0.147 3.828 3.960 0.025 0.000 0.218 432 G HA3 -0.147 3.828 3.960 0.025 0.000 0.218 432 G C 1.196 176.101 174.900 0.008 0.000 1.154 432 G CA 0.980 46.067 45.100 -0.022 0.000 0.767 432 G HN 0.599 nan 8.290 nan 0.000 0.552 433 Y N -1.195 119.209 120.300 0.173 0.000 2.220 433 Y HA 0.031 4.596 4.550 0.025 0.000 0.291 433 Y C 2.443 178.432 175.900 0.148 0.000 1.129 433 Y CA 0.394 58.568 58.100 0.124 0.000 1.161 433 Y CB -0.771 37.750 38.460 0.101 0.000 0.997 433 Y HN 0.397 nan 8.280 nan 0.000 0.522 434 W N -0.496 120.920 121.300 0.193 0.000 2.358 434 W HA -0.314 4.360 4.660 0.024 0.000 0.303 434 W C 2.272 178.845 176.519 0.091 0.000 1.208 434 W CA 1.922 59.340 57.345 0.123 0.000 1.274 434 W CB -0.779 28.756 29.460 0.126 0.000 1.138 434 W HN 0.160 nan 8.180 nan 0.000 0.515 435 Y N 0.848 121.254 120.300 0.176 0.000 2.263 435 Y HA -0.142 4.423 4.550 0.025 0.000 0.292 435 Y C 2.827 178.563 175.900 -0.273 0.000 1.130 435 Y CA 1.989 60.025 58.100 -0.106 0.000 1.179 435 Y CB -1.144 37.439 38.460 0.205 0.000 0.998 435 Y HN -0.005 nan 8.280 nan 0.000 0.532 436 S N 0.319 115.943 115.700 -0.126 0.000 2.374 436 S HA -0.251 4.234 4.470 0.025 0.000 0.227 436 S C 1.933 176.340 174.600 -0.323 0.000 1.037 436 S CA 1.956 60.037 58.200 -0.198 0.000 1.024 436 S CB -0.450 62.739 63.200 -0.019 0.000 0.861 436 S HN 0.621 nan 8.310 nan 0.000 0.456 437 N N 0.964 119.469 118.700 -0.325 0.000 2.084 437 N HA -0.061 4.694 4.740 0.025 0.000 0.190 437 N C 1.828 176.996 175.510 -0.570 0.000 1.030 437 N CA 1.496 54.315 53.050 -0.384 0.000 0.849 437 N CB -0.994 37.277 38.487 -0.360 0.000 1.012 437 N HN 0.313 nan 8.380 nan 0.000 0.423 438 V N 0.998 120.397 119.914 -0.858 0.000 2.332 438 V HA -0.184 3.951 4.120 0.025 0.000 0.248 438 V C 2.424 177.834 176.094 -1.141 0.000 1.055 438 V CA 1.249 62.921 62.300 -1.047 0.000 1.038 438 V CB -0.555 30.472 31.823 -1.326 0.000 0.651 438 V HN 0.076 nan 8.190 nan 0.000 0.450 439 V N 0.231 119.434 119.914 -1.184 0.000 2.343 439 V HA -0.244 3.891 4.120 0.025 0.000 0.247 439 V C 2.928 178.734 176.094 -0.479 0.000 1.051 439 V CA 2.445 64.153 62.300 -0.986 0.000 1.036 439 V CB -1.366 30.048 31.823 -0.682 0.000 0.654 439 V HN 0.675 nan 8.190 nan 0.000 0.451 440 K N 0.781 120.949 120.400 -0.386 0.000 2.044 440 K HA -0.233 4.102 4.320 0.025 0.000 0.210 440 K C 1.668 178.161 176.600 -0.179 0.000 1.049 440 K CA 2.159 58.312 56.287 -0.223 0.000 0.927 440 K CB -0.964 31.418 32.500 -0.196 0.000 0.713 440 K HN 0.624 nan 8.250 nan 0.000 0.443 441 N N 0.594 119.151 118.700 -0.237 0.000 2.383 441 N HA -0.033 4.722 4.740 0.025 0.000 0.192 441 N C 0.174 175.634 175.510 -0.084 0.000 1.141 441 N CA 0.454 53.411 53.050 -0.156 0.000 0.851 441 N CB 0.122 38.497 38.487 -0.187 0.000 0.976 441 N HN 0.552 nan 8.380 nan 0.000 0.465 442 N N 0.589 119.239 118.700 -0.084 0.000 2.708 442 N HA -0.199 4.556 4.740 0.025 0.000 0.251 442 N C 0.118 175.780 175.510 0.253 0.000 1.017 442 N CA 1.180 54.340 53.050 0.183 0.000 0.742 442 N CB -1.092 37.566 38.487 0.285 0.000 0.943 442 N HN 0.565 nan 8.380 nan 0.000 0.539 443 G N -1.858 106.905 108.800 -0.061 0.000 2.350 443 G HA2 0.248 4.223 3.960 0.025 0.000 0.276 443 G HA3 0.248 4.223 3.960 0.025 0.000 0.276 443 G C -1.457 173.357 174.900 -0.142 0.000 1.313 443 G CA -0.518 44.650 45.100 0.113 0.000 0.903 443 G HN 0.251 nan 8.290 nan 0.000 0.490 444 L N 2.180 123.377 121.223 -0.044 0.000 2.289 444 L HA 0.459 4.814 4.340 0.025 0.000 0.285 444 L C 1.112 177.909 176.870 -0.122 0.000 1.049 444 L CA -0.559 54.219 54.840 -0.104 0.000 0.804 444 L CB 1.258 43.303 42.059 -0.023 0.000 1.195 444 L HN 1.001 nan 8.230 nan 0.000 0.428 445 E N 0.000 120.129 120.200 -0.118 0.000 2.725 445 E HA 0.000 4.365 4.350 0.025 0.000 0.291 445 E CA 0.000 56.344 56.400 -0.094 0.000 0.976 445 E CB 0.000 29.670 29.700 -0.050 0.000 0.812 445 E HN 0.000 nan 8.360 nan 0.000 0.440