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 2wc3_1_C 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 DPDAPAKVSF 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 0.000 175.893 176.094 -0.335 0.000 1.182 3 V CA 0.000 62.185 62.300 -0.191 0.000 1.235 3 V CB 0.000 31.753 31.823 -0.116 0.000 1.184 4 K N 1.958 122.077 120.400 -0.467 0.000 2.419 4 K HA 0.532 4.853 4.320 0.001 0.000 0.244 4 K C -0.647 175.726 176.600 -0.379 0.000 1.045 4 K CA -0.603 55.116 56.287 -0.947 0.000 1.004 4 K CB 1.725 33.329 32.500 -1.493 0.000 1.376 4 K HN 0.610 nan 8.250 nan 0.000 0.460 5 K N 2.767 123.173 120.400 0.010 0.000 2.205 5 K HA 0.359 4.679 4.320 0.001 0.000 0.279 5 K C -0.667 176.158 176.600 0.374 0.000 1.027 5 K CA -0.375 56.050 56.287 0.230 0.000 0.932 5 K CB 0.269 32.872 32.500 0.172 0.000 1.032 5 K HN 0.303 nan 8.250 nan 0.000 0.466 6 F N 2.925 122.983 119.950 0.180 0.000 2.410 6 F HA 0.485 5.013 4.527 0.001 0.000 0.324 6 F C -1.537 174.287 175.800 0.039 0.000 1.093 6 F CA -2.144 55.876 58.000 0.034 0.000 1.028 6 F CB 0.958 39.775 39.000 -0.307 0.000 1.309 6 F HN 0.468 nan 8.300 nan 0.000 0.499 7 P HA 0.057 nan 4.420 nan 0.000 0.272 7 P C -1.121 176.301 177.300 0.204 0.000 1.223 7 P CA -0.321 62.867 63.100 0.148 0.000 0.784 7 P CB 0.398 32.175 31.700 0.128 0.000 0.923 8 E N 1.832 122.117 120.200 0.142 0.000 2.765 8 E HA 0.113 4.463 4.350 0.001 0.000 0.256 8 E C 1.146 177.829 176.600 0.139 0.000 0.935 8 E CA 1.456 57.934 56.400 0.131 0.000 0.954 8 E CB -1.023 28.730 29.700 0.088 0.000 0.908 8 E HN 0.726 nan 8.360 nan 0.000 0.500 9 G N 3.534 112.420 108.800 0.143 0.000 2.176 9 G HA2 -0.328 3.632 3.960 0.001 0.000 0.253 9 G HA3 -0.328 3.632 3.960 0.001 0.000 0.253 9 G C 0.113 175.068 174.900 0.092 0.000 0.979 9 G CA -0.100 45.065 45.100 0.108 0.000 0.641 9 G HN 0.615 nan 8.290 nan 0.000 0.530 10 F N 0.809 120.742 119.950 -0.029 0.000 2.608 10 F HA 0.477 5.004 4.527 0.001 0.000 0.380 10 F C 0.626 176.226 175.800 -0.333 0.000 1.083 10 F CA -0.530 57.358 58.000 -0.188 0.000 1.266 10 F CB 0.525 39.388 39.000 -0.228 0.000 1.076 10 F HN 0.092 nan 8.300 nan 0.000 0.574 11 L N 8.028 128.680 121.223 -0.950 0.000 2.255 11 L HA 0.283 4.624 4.340 0.001 0.000 0.289 11 L C -1.550 174.794 176.870 -0.876 0.000 1.046 11 L CA -0.357 54.095 54.840 -0.647 0.000 0.816 11 L CB 0.051 41.876 42.059 -0.390 0.000 1.197 11 L HN 0.551 nan 8.230 nan 0.000 0.427 12 W N 4.883 126.021 121.300 -0.270 0.000 2.335 12 W HA 0.684 5.345 4.660 0.001 0.000 0.307 12 W C 0.627 176.989 176.519 -0.261 0.000 1.117 12 W CA -0.416 56.819 57.345 -0.183 0.000 1.228 12 W CB 1.688 31.048 29.460 -0.167 0.000 1.240 12 W HN 0.725 nan 8.180 nan 0.000 0.468 13 G N 1.039 109.758 108.800 -0.135 0.000 2.818 13 G HA2 0.762 4.723 3.960 0.001 0.000 0.286 13 G HA3 0.762 4.723 3.960 0.001 0.000 0.286 13 G C -1.256 173.758 174.900 0.190 0.000 1.364 13 G CA -0.904 44.053 45.100 -0.237 0.000 0.938 13 G HN 0.611 nan 8.290 nan 0.000 0.490 14 V N -3.415 116.703 119.914 0.341 0.000 3.040 14 V HA 0.973 5.093 4.120 0.001 0.000 0.312 14 V C -0.124 176.234 176.094 0.439 0.000 1.115 14 V CA -0.816 61.686 62.300 0.337 0.000 0.998 14 V CB 1.296 33.266 31.823 0.245 0.000 1.042 14 V HN 1.758 nan 8.190 nan 0.000 0.433 15 A N 1.800 124.767 122.820 0.246 0.000 2.413 15 A HA 1.052 5.373 4.320 0.001 0.000 0.307 15 A C -0.070 177.410 177.584 -0.173 0.000 1.087 15 A CA -0.015 52.107 52.037 0.142 0.000 0.750 15 A CB 1.916 21.104 19.000 0.313 0.000 1.296 15 A HN 2.018 nan 8.150 nan 0.000 0.423 16 T N -2.113 112.370 114.554 -0.119 0.000 2.787 16 T HA 0.868 5.219 4.350 0.001 0.000 0.297 16 T C -0.542 174.156 174.700 -0.003 0.000 1.221 16 T CA -0.135 61.801 62.100 -0.274 0.000 1.006 16 T CB 1.446 70.238 68.868 -0.127 0.000 1.328 16 T HN 2.187 nan 8.240 nan 0.000 0.509 17 A N 0.539 123.335 122.820 -0.041 0.000 2.475 17 A HA 0.749 5.069 4.320 0.001 0.000 0.301 17 A C 1.202 178.779 177.584 -0.012 0.000 1.059 17 A CA -0.119 51.802 52.037 -0.193 0.000 0.710 17 A CB 1.435 19.940 19.000 -0.825 0.000 1.288 17 A HN 1.544 nan 8.150 nan 0.000 0.408 18 S N 1.079 116.861 115.700 0.136 0.000 2.369 18 S HA -0.308 4.162 4.470 0.001 0.000 0.225 18 S C 1.688 176.407 174.600 0.199 0.000 1.043 18 S CA 2.224 60.593 58.200 0.281 0.000 1.074 18 S CB -0.938 62.511 63.200 0.414 0.000 0.962 18 S HN 1.009 nan 8.310 nan 0.000 0.433 19 Y N 2.596 122.947 120.300 0.084 0.000 2.352 19 Y HA -0.020 4.531 4.550 0.001 0.000 0.292 19 Y C 2.602 178.398 175.900 -0.173 0.000 1.136 19 Y CA 1.537 59.643 58.100 0.010 0.000 1.227 19 Y CB -0.393 38.138 38.460 0.120 0.000 0.991 19 Y HN 0.391 nan 8.280 nan 0.000 0.545 20 Q N -0.496 119.164 119.800 -0.232 0.000 2.245 20 Q HA -0.024 4.317 4.340 0.001 0.000 0.201 20 Q C 1.871 177.798 176.000 -0.122 0.000 0.955 20 Q CA 1.663 57.289 55.803 -0.294 0.000 0.870 20 Q CB 0.127 28.637 28.738 -0.379 0.000 0.945 20 Q HN 0.763 nan 8.270 nan 0.000 0.461 21 I N -4.365 116.157 120.570 -0.079 0.000 4.471 21 I HA 0.167 4.338 4.170 0.001 0.000 0.326 21 I C 1.471 177.642 176.117 0.089 0.000 1.300 21 I CA 0.010 61.307 61.300 -0.004 0.000 1.237 21 I CB 0.240 38.184 38.000 -0.092 0.000 1.195 21 I HN -0.124 nan 8.210 nan 0.000 0.427 22 E N 2.495 122.754 120.200 0.099 0.000 2.047 22 E HA 0.157 4.508 4.350 0.001 0.000 0.191 22 E C 1.424 178.076 176.600 0.087 0.000 0.987 22 E CA 0.982 57.503 56.400 0.203 0.000 0.799 22 E CB -0.231 29.598 29.700 0.214 0.000 0.752 22 E HN 0.647 nan 8.360 nan 0.000 0.449 23 G N 0.597 109.356 108.800 -0.068 0.000 2.697 23 G HA2 -0.336 3.625 3.960 0.001 0.000 0.240 23 G HA3 -0.336 3.625 3.960 0.001 0.000 0.240 23 G C 0.117 174.919 174.900 -0.164 0.000 1.346 23 G CA -0.142 44.893 45.100 -0.108 0.000 0.887 23 G HN 0.322 nan 8.290 nan 0.000 0.569 24 S N -0.259 115.347 115.700 -0.157 0.000 3.550 24 S HA -0.170 4.301 4.470 0.001 0.000 0.372 24 S C -0.409 173.979 174.600 -0.354 0.000 0.966 24 S CA 1.430 59.468 58.200 -0.271 0.000 1.229 24 S CB -0.837 62.117 63.200 -0.410 0.000 0.917 24 S HN 1.008 nan 8.310 nan 0.000 0.496 25 P HA -0.030 nan 4.420 nan 0.000 0.220 25 P C 0.867 178.063 177.300 -0.173 0.000 1.148 25 P CA 0.924 63.963 63.100 -0.102 0.000 0.803 25 P CB 0.054 31.807 31.700 0.088 0.000 0.782 26 L N -1.693 119.411 121.223 -0.199 0.000 2.728 26 L HA 0.339 4.679 4.340 0.001 0.000 0.238 26 L C 1.154 177.928 176.870 -0.159 0.000 1.143 26 L CA -0.569 54.160 54.840 -0.185 0.000 0.937 26 L CB -0.136 41.808 42.059 -0.192 0.000 1.225 26 L HN -0.172 nan 8.230 nan 0.000 0.507 27 A N -0.221 122.460 122.820 -0.232 0.000 2.425 27 A HA 0.190 4.510 4.320 0.001 0.000 0.242 27 A C 0.434 177.955 177.584 -0.105 0.000 1.077 27 A CA -0.115 51.813 52.037 -0.182 0.000 0.781 27 A CB 0.044 18.885 19.000 -0.264 0.000 1.020 27 A HN 0.474 nan 8.150 nan 0.000 0.494 28 D N 0.282 120.681 120.400 -0.003 0.000 2.723 28 D HA -0.184 4.456 4.640 0.001 0.000 0.236 28 D C 0.981 177.302 176.300 0.035 0.000 1.138 28 D CA 2.424 56.454 54.000 0.049 0.000 0.676 28 D CB -1.508 39.369 40.800 0.128 0.000 1.069 28 D HN 1.947 nan 8.370 nan 0.000 0.430 29 G N -1.497 107.308 108.800 0.007 0.000 2.159 29 G HA2 -0.139 3.822 3.960 0.001 0.000 0.256 29 G HA3 -0.139 3.822 3.960 0.001 0.000 0.256 29 G C 0.556 175.460 174.900 0.007 0.000 0.977 29 G CA 0.656 45.763 45.100 0.011 0.000 0.652 29 G HN 1.293 nan 8.290 nan 0.000 0.531 30 A N 0.279 123.089 122.820 -0.016 0.000 2.498 30 A HA 0.612 4.932 4.320 0.001 0.000 0.239 30 A C 1.227 178.796 177.584 -0.025 0.000 1.068 30 A CA 1.081 53.113 52.037 -0.008 0.000 0.766 30 A CB 0.348 19.317 19.000 -0.050 0.000 1.003 30 A HN 1.808 nan 8.150 nan 0.000 0.497 31 G N 1.279 110.079 108.800 -0.000 0.000 2.507 31 G HA2 0.484 4.444 3.960 0.001 0.000 0.271 31 G HA3 0.484 4.444 3.960 0.001 0.000 0.271 31 G C 0.250 175.133 174.900 -0.030 0.000 1.189 31 G CA -0.862 44.226 45.100 -0.019 0.000 0.859 31 G HN 0.764 nan 8.290 nan 0.000 0.542 32 M N 1.137 120.705 119.600 -0.054 0.000 2.252 32 M HA 0.143 4.623 4.480 0.001 0.000 0.329 32 M C 0.974 177.327 176.300 0.089 0.000 1.101 32 M CA 0.205 55.465 55.300 -0.067 0.000 1.117 32 M CB 0.673 33.213 32.600 -0.100 0.000 1.563 32 M HN 0.630 nan 8.290 nan 0.000 0.445 33 S N 2.365 118.154 115.700 0.149 0.000 2.718 33 S HA 0.471 4.941 4.470 0.001 0.000 0.300 33 S C 0.923 175.664 174.600 0.235 0.000 1.117 33 S CA -1.038 57.285 58.200 0.204 0.000 1.002 33 S CB 0.930 64.274 63.200 0.241 0.000 1.092 33 S HN 0.805 nan 8.310 nan 0.000 0.542 34 I N -2.714 117.992 120.570 0.227 0.000 2.567 34 I HA 0.028 4.199 4.170 0.001 0.000 0.257 34 I C 1.586 177.696 176.117 -0.011 0.000 1.184 34 I CA 0.923 62.320 61.300 0.161 0.000 1.451 34 I CB -0.345 37.695 38.000 0.066 0.000 1.089 34 I HN 0.643 nan 8.210 nan 0.000 0.441 35 W N 1.062 122.343 121.300 -0.032 0.000 2.476 35 W HA -0.062 4.598 4.660 0.001 0.000 0.281 35 W C 2.720 179.137 176.519 -0.169 0.000 1.230 35 W CA 1.584 58.805 57.345 -0.208 0.000 1.287 35 W CB -0.332 28.726 29.460 -0.669 0.000 1.108 35 W HN 0.293 nan 8.180 nan 0.000 0.567 36 H N -0.003 119.088 119.070 0.035 0.000 2.267 36 H HA -0.222 4.334 4.556 0.001 0.000 0.297 36 H C 2.407 177.873 175.328 0.230 0.000 1.080 36 H CA 3.288 59.488 56.048 0.254 0.000 1.278 36 H CB -0.497 29.382 29.762 0.195 0.000 1.365 36 H HN 0.006 nan 8.280 nan 0.000 0.489 37 T N -2.158 112.412 114.554 0.028 0.000 2.821 37 T HA -0.197 4.153 4.350 0.001 0.000 0.267 37 T C 2.040 176.727 174.700 -0.021 0.000 1.046 37 T CA 1.192 63.215 62.100 -0.130 0.000 1.139 37 T CB -0.941 67.709 68.868 -0.364 0.000 0.871 37 T HN 0.339 nan 8.240 nan 0.000 0.454 38 F N 3.273 123.137 119.950 -0.144 0.000 2.095 38 F HA -0.116 4.411 4.527 0.001 0.000 0.298 38 F C 2.710 178.461 175.800 -0.081 0.000 1.104 38 F CA 1.891 59.774 58.000 -0.195 0.000 1.232 38 F CB -0.489 38.214 39.000 -0.495 0.000 0.987 38 F HN 0.357 nan 8.300 nan 0.000 0.475 39 S N -1.612 114.155 115.700 0.113 0.000 2.461 39 S HA -0.159 4.312 4.470 0.001 0.000 0.228 39 S C 1.721 176.237 174.600 -0.139 0.000 1.005 39 S CA 0.915 59.178 58.200 0.105 0.000 0.942 39 S CB -0.927 62.507 63.200 0.390 0.000 0.776 39 S HN 0.535 nan 8.310 nan 0.000 0.514 40 H N 1.290 120.285 119.070 -0.125 0.000 2.543 40 H HA 0.223 4.780 4.556 0.001 0.000 0.269 40 H C -0.220 175.017 175.328 -0.150 0.000 1.005 40 H CA 0.555 56.505 56.048 -0.162 0.000 1.146 40 H CB -0.047 29.544 29.762 -0.286 0.000 1.353 40 H HN 0.364 nan 8.280 nan 0.000 0.595 41 T N 3.835 118.321 114.554 -0.113 0.000 2.743 41 T HA 0.204 4.555 4.350 0.001 0.000 0.292 41 T C -2.316 172.289 174.700 -0.158 0.000 0.972 41 T CA -1.420 60.594 62.100 -0.143 0.000 0.967 41 T CB 1.717 70.455 68.868 -0.216 0.000 0.926 41 T HN 0.068 nan 8.240 nan 0.000 0.459 42 P HA 0.187 nan 4.420 nan 0.000 0.265 42 P C 1.126 178.368 177.300 -0.096 0.000 1.187 42 P CA 0.865 63.919 63.100 -0.076 0.000 0.766 42 P CB 0.331 32.004 31.700 -0.044 0.000 0.820 43 G N 2.706 111.460 108.800 -0.078 0.000 2.217 43 G HA2 -0.281 3.679 3.960 0.001 0.000 0.246 43 G HA3 -0.281 3.679 3.960 0.001 0.000 0.246 43 G C 1.174 176.013 174.900 -0.101 0.000 0.990 43 G CA 0.132 45.191 45.100 -0.069 0.000 0.627 43 G HN 0.491 nan 8.290 nan 0.000 0.522 44 N N -0.246 118.329 118.700 -0.208 0.000 2.368 44 N HA 0.195 4.935 4.740 0.001 0.000 0.176 44 N C 0.728 176.203 175.510 -0.059 0.000 1.021 44 N CA 1.303 54.153 53.050 -0.335 0.000 0.888 44 N CB 0.386 38.216 38.487 -1.094 0.000 0.995 44 N HN 0.420 nan 8.380 nan 0.000 0.437 45 V N 1.089 121.011 119.914 0.014 0.000 2.680 45 V HA 0.214 4.335 4.120 0.001 0.000 0.309 45 V C 0.306 176.449 176.094 0.082 0.000 1.052 45 V CA -1.238 61.152 62.300 0.150 0.000 0.908 45 V CB 2.540 34.519 31.823 0.259 0.000 1.001 45 V HN -0.037 nan 8.190 nan 0.000 0.431 46 K N 3.286 123.728 120.400 0.070 0.000 2.524 46 K HA -0.024 4.296 4.320 0.001 0.000 0.279 46 K C 0.859 177.483 176.600 0.039 0.000 0.993 46 K CA 0.622 56.934 56.287 0.042 0.000 1.030 46 K CB -0.017 32.498 32.500 0.025 0.000 0.891 46 K HN 0.786 nan 8.250 nan 0.000 0.488 47 N N 2.204 120.925 118.700 0.036 0.000 2.681 47 N HA -0.221 4.520 4.740 0.001 0.000 0.250 47 N C 0.377 175.913 175.510 0.043 0.000 1.133 47 N CA 1.247 54.321 53.050 0.040 0.000 0.732 47 N CB -1.508 37.009 38.487 0.050 0.000 1.107 47 N HN 1.005 nan 8.380 nan 0.000 0.559 48 G N -0.122 108.699 108.800 0.036 0.000 2.258 48 G HA2 -0.319 3.642 3.960 0.001 0.000 0.274 48 G HA3 -0.319 3.642 3.960 0.001 0.000 0.274 48 G C -0.163 174.768 174.900 0.052 0.000 1.021 48 G CA 0.645 45.760 45.100 0.025 0.000 0.798 48 G HN 0.529 nan 8.290 nan 0.000 0.507 49 D N 0.342 120.807 120.400 0.109 0.000 2.382 49 D HA 0.531 5.172 4.640 0.001 0.000 0.240 49 D C 1.126 177.582 176.300 0.261 0.000 1.146 49 D CA 1.287 55.403 54.000 0.194 0.000 0.897 49 D CB 1.193 42.091 40.800 0.162 0.000 1.197 49 D HN 0.568 nan 8.370 nan 0.000 0.432 50 T N -2.791 111.858 114.554 0.159 0.000 2.865 50 T HA 0.585 4.936 4.350 0.001 0.000 0.294 50 T C 0.776 175.199 174.700 -0.463 0.000 1.119 50 T CA -0.930 61.096 62.100 -0.122 0.000 1.007 50 T CB 1.572 70.240 68.868 -0.334 0.000 1.225 50 T HN 0.172 nan 8.240 nan 0.000 0.515 51 G N 0.040 108.373 108.800 -0.778 0.000 3.327 51 G HA2 0.177 4.137 3.960 0.001 0.000 0.240 51 G HA3 0.177 4.137 3.960 0.001 0.000 0.240 51 G C 0.494 175.096 174.900 -0.496 0.000 1.222 51 G CA -0.217 44.210 45.100 -1.121 0.000 0.871 51 G HN 0.740 nan 8.290 nan 0.000 0.525 52 D N 0.062 120.366 120.400 -0.158 0.000 2.117 52 D HA -0.088 4.553 4.640 0.001 0.000 0.197 52 D C 2.409 178.681 176.300 -0.048 0.000 0.987 52 D CA 0.909 54.909 54.000 -0.000 0.000 0.829 52 D CB 0.372 41.227 40.800 0.093 0.000 0.961 52 D HN 0.267 nan 8.370 nan 0.000 0.460 53 V N -0.486 119.391 119.914 -0.062 0.000 3.090 53 V HA 0.334 4.454 4.120 0.001 0.000 0.237 53 V C 1.368 177.430 176.094 -0.053 0.000 1.209 53 V CA 0.630 62.899 62.300 -0.051 0.000 1.209 53 V CB -0.045 31.748 31.823 -0.049 0.000 0.971 53 V HN 0.298 nan 8.190 nan 0.000 0.477 54 A N 0.259 123.043 122.820 -0.059 0.000 5.318 54 A HA -0.397 3.923 4.320 0.001 0.000 0.329 54 A C 1.451 179.071 177.584 0.061 0.000 1.789 54 A CA 2.082 54.137 52.037 0.029 0.000 0.711 54 A CB -1.978 17.026 19.000 0.006 0.000 1.398 54 A HN 0.653 nan 8.150 nan 0.000 0.392 55 C N -0.091 119.292 119.300 0.139 0.000 2.754 55 C HA 0.464 4.925 4.460 0.001 0.000 0.276 55 C C 1.001 176.068 174.990 0.128 0.000 1.264 55 C CA 0.930 60.044 59.018 0.160 0.000 1.700 55 C CB -1.094 26.726 27.740 0.134 0.000 1.885 55 C HN 1.066 nan 8.230 nan 0.000 0.607 56 D N 0.459 120.927 120.400 0.113 0.000 2.811 56 D HA -0.277 4.363 4.640 0.001 0.000 0.231 56 D C 0.675 177.083 176.300 0.180 0.000 1.157 56 D CA 1.069 55.138 54.000 0.116 0.000 0.716 56 D CB -1.510 39.331 40.800 0.068 0.000 1.077 56 D HN 0.741 nan 8.370 nan 0.000 0.428 57 H N -1.395 117.756 119.070 0.135 0.000 2.489 57 H HA -0.118 4.438 4.556 0.001 0.000 0.293 57 H C 1.640 177.175 175.328 0.344 0.000 1.066 57 H CA 1.983 58.157 56.048 0.209 0.000 1.305 57 H CB -0.205 29.684 29.762 0.212 0.000 1.386 57 H HN 0.450 nan 8.280 nan 0.000 0.551 58 Y N 0.776 121.142 120.300 0.109 0.000 2.151 58 Y HA -0.258 4.292 4.550 0.001 0.000 0.284 58 Y C 1.640 177.608 175.900 0.113 0.000 1.166 58 Y CA 2.090 60.126 58.100 -0.107 0.000 1.163 58 Y CB -0.134 38.172 38.460 -0.256 0.000 0.974 58 Y HN 0.358 nan 8.280 nan 0.000 0.511 59 N N -0.667 118.110 118.700 0.127 0.000 2.415 59 N HA 0.045 4.785 4.740 0.001 0.000 0.174 59 N C 0.906 176.381 175.510 -0.059 0.000 1.048 59 N CA 0.550 53.634 53.050 0.057 0.000 0.895 59 N CB -0.002 38.506 38.487 0.035 0.000 1.036 59 N HN 0.381 nan 8.380 nan 0.000 0.449 60 R N 1.154 121.622 120.500 -0.055 0.000 2.515 60 R HA 0.125 4.465 4.340 0.001 0.000 0.294 60 R C 1.419 177.556 176.300 -0.272 0.000 1.021 60 R CA -0.291 55.703 56.100 -0.177 0.000 1.081 60 R CB -0.161 30.105 30.300 -0.057 0.000 1.263 60 R HN 0.383 nan 8.270 nan 0.000 0.557 61 W N 1.488 122.596 121.300 -0.320 0.000 2.338 61 W HA -0.191 4.469 4.660 0.000 0.000 0.304 61 W C 1.281 177.654 176.519 -0.244 0.000 1.212 61 W CA 0.795 57.818 57.345 -0.536 0.000 1.264 61 W CB -0.676 28.422 29.460 -0.603 0.000 1.142 61 W HN 0.028 nan 8.180 nan 0.000 0.512 62 K N 1.069 120.832 120.400 -1.063 0.000 2.001 62 K HA -0.208 4.112 4.320 0.001 0.000 0.208 62 K C 1.983 178.346 176.600 -0.395 0.000 1.048 62 K CA 2.154 57.921 56.287 -0.867 0.000 0.932 62 K CB -0.157 31.542 32.500 -1.336 0.000 0.715 62 K HN -0.160 nan 8.250 nan 0.000 0.437 63 E N 1.168 121.141 120.200 -0.377 0.000 2.130 63 E HA -0.194 4.156 4.350 0.001 0.000 0.196 63 E C 1.653 178.169 176.600 -0.140 0.000 0.998 63 E CA 1.588 57.857 56.400 -0.218 0.000 0.806 63 E CB -0.204 29.382 29.700 -0.190 0.000 0.738 63 E HN 0.373 nan 8.360 nan 0.000 0.459 64 D N -0.319 120.020 120.400 -0.101 0.000 2.144 64 D HA -0.062 4.578 4.640 0.001 0.000 0.200 64 D C 1.895 178.131 176.300 -0.106 0.000 0.978 64 D CA 0.692 54.667 54.000 -0.042 0.000 0.833 64 D CB -0.093 40.787 40.800 0.133 0.000 0.961 64 D HN 0.230 nan 8.370 nan 0.000 0.470 65 I N 0.854 121.365 120.570 -0.099 0.000 2.493 65 I HA -0.171 3.999 4.170 0.001 0.000 0.254 65 I C 1.984 178.040 176.117 -0.102 0.000 1.160 65 I CA 0.888 62.110 61.300 -0.129 0.000 1.445 65 I CB -0.174 37.798 38.000 -0.046 0.000 1.086 65 I HN -0.047 nan 8.210 nan 0.000 0.433 66 E N 0.947 121.088 120.200 -0.098 0.000 2.208 66 E HA -0.126 4.224 4.350 0.001 0.000 0.193 66 E C 2.267 178.827 176.600 -0.067 0.000 0.988 66 E CA 0.899 57.252 56.400 -0.079 0.000 0.828 66 E CB 0.092 29.736 29.700 -0.093 0.000 0.763 66 E HN 0.508 nan 8.360 nan 0.000 0.478 67 I N 0.847 121.370 120.570 -0.078 0.000 2.233 67 I HA -0.248 3.923 4.170 0.001 0.000 0.243 67 I C 2.297 178.378 176.117 -0.060 0.000 1.093 67 I CA 0.936 62.196 61.300 -0.066 0.000 1.380 67 I CB -0.259 37.694 38.000 -0.078 0.000 1.067 67 I HN 0.125 nan 8.210 nan 0.000 0.413 68 I N 0.854 121.372 120.570 -0.085 0.000 2.118 68 I HA -0.358 3.813 4.170 0.001 0.000 0.241 68 I C 2.656 178.754 176.117 -0.032 0.000 1.070 68 I CA 1.777 63.038 61.300 -0.066 0.000 1.327 68 I CB -0.554 37.369 38.000 -0.129 0.000 1.034 68 I HN 0.327 nan 8.210 nan 0.000 0.405 69 E N 1.653 121.830 120.200 -0.037 0.000 2.049 69 E HA -0.341 4.009 4.350 0.001 0.000 0.198 69 E C 2.247 178.838 176.600 -0.014 0.000 1.007 69 E CA 2.043 58.431 56.400 -0.020 0.000 0.809 69 E CB -0.114 29.573 29.700 -0.023 0.000 0.749 69 E HN 0.312 nan 8.360 nan 0.000 0.450 70 K N 0.222 120.613 120.400 -0.016 0.000 2.074 70 K HA -0.169 4.152 4.320 0.001 0.000 0.209 70 K C 2.002 178.609 176.600 0.011 0.000 1.048 70 K CA 1.678 57.965 56.287 -0.000 0.000 0.926 70 K CB -0.169 32.334 32.500 0.005 0.000 0.713 70 K HN 0.236 nan 8.250 nan 0.000 0.444 71 L N -0.183 121.042 121.223 0.004 0.000 2.599 71 L HA 0.134 4.474 4.340 0.001 0.000 0.230 71 L C 1.133 177.986 176.870 -0.029 0.000 1.141 71 L CA 0.395 55.239 54.840 0.006 0.000 0.877 71 L CB -0.023 42.042 42.059 0.011 0.000 1.009 71 L HN 0.587 nan 8.230 nan 0.000 0.447 72 G N 0.303 109.088 108.800 -0.025 0.000 2.168 72 G HA2 -0.267 3.694 3.960 0.001 0.000 0.257 72 G HA3 -0.267 3.694 3.960 0.001 0.000 0.257 72 G C 0.307 175.182 174.900 -0.042 0.000 0.997 72 G CA 0.189 45.266 45.100 -0.038 0.000 0.708 72 G HN 0.149 nan 8.290 nan 0.000 0.520 73 V N 0.201 120.105 119.914 -0.018 0.000 2.572 73 V HA 0.197 4.318 4.120 0.001 0.000 0.291 73 V C 1.618 177.744 176.094 0.054 0.000 1.039 73 V CA 0.908 63.218 62.300 0.017 0.000 1.055 73 V CB 1.475 33.354 31.823 0.094 0.000 0.969 73 V HN 0.403 nan 8.190 nan 0.000 0.482 74 K N 2.834 123.275 120.400 0.068 0.000 2.314 74 K HA 0.344 4.664 4.320 0.001 0.000 0.198 74 K C 0.511 177.162 176.600 0.085 0.000 1.045 74 K CA 0.723 57.051 56.287 0.069 0.000 0.988 74 K CB 0.510 33.052 32.500 0.069 0.000 0.783 74 K HN 0.786 nan 8.250 nan 0.000 0.484 75 A N 0.424 123.289 122.820 0.075 0.000 2.454 75 A HA 0.519 4.839 4.320 0.001 0.000 0.302 75 A C -1.988 175.790 177.584 0.322 0.000 1.079 75 A CA -0.553 51.574 52.037 0.150 0.000 0.731 75 A CB 1.043 20.026 19.000 -0.027 0.000 1.299 75 A HN 0.146 nan 8.150 nan 0.000 0.413 76 Y N 1.306 121.773 120.300 0.279 0.000 2.329 76 Y HA 0.568 5.118 4.550 0.001 0.000 0.328 76 Y C -0.122 176.029 175.900 0.419 0.000 0.992 76 Y CA -0.876 57.420 58.100 0.326 0.000 1.151 76 Y CB 1.326 39.935 38.460 0.248 0.000 1.150 76 Y HN 0.769 nan 8.280 nan 0.000 0.450 77 R N 7.242 127.799 120.500 0.095 0.000 2.202 77 R HA 0.513 4.854 4.340 0.001 0.000 0.334 77 R C -1.628 174.419 176.300 -0.423 0.000 1.036 77 R CA -0.250 55.718 56.100 -0.220 0.000 0.878 77 R CB 0.188 30.230 30.300 -0.431 0.000 1.067 77 R HN 0.581 nan 8.270 nan 0.000 0.457 78 F N 0.908 120.516 119.950 -0.570 0.000 2.629 78 F HA 0.626 5.153 4.527 0.001 0.000 0.316 78 F C -0.903 174.787 175.800 -0.184 0.000 1.081 78 F CA -1.143 56.575 58.000 -0.470 0.000 0.954 78 F CB 1.339 39.966 39.000 -0.622 0.000 1.337 78 F HN 0.402 nan 8.300 nan 0.000 0.474 79 S N 1.413 117.137 115.700 0.040 0.000 2.664 79 S HA 0.800 5.270 4.470 0.001 0.000 0.304 79 S C -0.896 173.772 174.600 0.114 0.000 1.099 79 S CA -0.776 57.430 58.200 0.011 0.000 1.003 79 S CB 1.502 64.780 63.200 0.130 0.000 1.092 79 S HN 0.718 nan 8.310 nan 0.000 0.525 80 I N 2.013 122.591 120.570 0.012 0.000 2.377 80 I HA 0.303 4.473 4.170 0.001 0.000 0.293 80 I C 0.282 176.558 176.117 0.264 0.000 0.987 80 I CA -0.566 60.657 61.300 -0.127 0.000 1.185 80 I CB 1.976 39.816 38.000 -0.267 0.000 1.341 80 I HN 0.767 nan 8.210 nan 0.000 0.455 81 S N 6.652 122.599 115.700 0.410 0.000 2.416 81 S HA 0.002 4.472 4.470 0.001 0.000 0.302 81 S C 0.975 175.871 174.600 0.493 0.000 1.120 81 S CA -0.437 58.056 58.200 0.488 0.000 1.067 81 S CB 0.064 63.565 63.200 0.501 0.000 1.057 81 S HN 0.710 nan 8.310 nan 0.000 0.518 82 W N 7.138 128.567 121.300 0.214 0.000 2.277 82 W HA -0.126 4.534 4.660 0.001 0.000 0.327 82 W C -1.477 175.005 176.519 -0.062 0.000 1.284 82 W CA 1.809 59.046 57.345 -0.179 0.000 1.277 82 W CB -1.730 27.525 29.460 -0.340 0.000 1.141 82 W HN 0.625 nan 8.180 nan 0.000 0.482 83 P HA -0.048 nan 4.420 nan 0.000 0.245 83 P C 1.420 178.835 177.300 0.190 0.000 1.212 83 P CA 1.221 64.414 63.100 0.155 0.000 0.774 83 P CB -0.292 31.456 31.700 0.081 0.000 0.999 84 R N -0.641 120.030 120.500 0.285 0.000 2.153 84 R HA 0.061 4.401 4.340 0.001 0.000 0.218 84 R C 1.847 178.335 176.300 0.314 0.000 1.072 84 R CA 0.755 57.029 56.100 0.289 0.000 0.990 84 R CB -0.172 30.381 30.300 0.421 0.000 0.889 84 R HN 0.174 nan 8.270 nan 0.000 0.452 85 I N 0.284 121.069 120.570 0.358 0.000 2.429 85 I HA -0.003 4.168 4.170 0.001 0.000 0.247 85 I C 0.845 177.107 176.117 0.242 0.000 1.099 85 I CA 1.005 62.504 61.300 0.332 0.000 1.422 85 I CB -0.300 37.944 38.000 0.407 0.000 1.112 85 I HN 0.001 nan 8.210 nan 0.000 0.430 86 L N 1.891 123.266 121.223 0.253 0.000 2.384 86 L HA 0.291 4.631 4.340 0.001 0.000 0.261 86 L C -1.831 175.096 176.870 0.094 0.000 1.024 86 L CA -1.229 53.718 54.840 0.179 0.000 0.899 86 L CB 1.548 43.751 42.059 0.240 0.000 1.243 86 L HN -0.134 nan 8.230 nan 0.000 0.449 87 P HA -0.116 nan 4.420 nan 0.000 0.222 87 P C 0.722 177.994 177.300 -0.048 0.000 1.147 87 P CA 1.022 64.132 63.100 0.015 0.000 0.790 87 P CB 0.340 32.052 31.700 0.020 0.000 0.780 88 E N -1.742 118.418 120.200 -0.067 0.000 2.476 88 E HA 0.216 4.566 4.350 0.001 0.000 0.196 88 E C 1.629 178.084 176.600 -0.242 0.000 1.029 88 E CA 0.402 56.719 56.400 -0.138 0.000 0.896 88 E CB -0.364 29.267 29.700 -0.115 0.000 1.012 88 E HN 0.170 nan 8.360 nan 0.000 0.475 89 G N 1.386 110.047 108.800 -0.232 0.000 2.498 89 G HA2 -0.318 3.643 3.960 0.001 0.000 0.229 89 G HA3 -0.318 3.643 3.960 0.001 0.000 0.229 89 G C 0.747 175.648 174.900 0.001 0.000 1.156 89 G CA 0.789 45.684 45.100 -0.341 0.000 0.680 89 G HN 0.485 nan 8.290 nan 0.000 0.512 90 T N -2.932 111.568 114.554 -0.090 0.000 2.887 90 T HA 0.836 5.186 4.350 0.001 0.000 0.292 90 T C 1.254 175.954 174.700 0.001 0.000 1.087 90 T CA 0.860 62.966 62.100 0.010 0.000 1.009 90 T CB 1.917 70.748 68.868 -0.062 0.000 1.203 90 T HN 2.316 nan 8.240 nan 0.000 0.518 91 G N 1.410 110.229 108.800 0.033 0.000 2.728 91 G HA2 -0.215 3.746 3.960 0.001 0.000 0.269 91 G HA3 -0.215 3.746 3.960 0.001 0.000 0.269 91 G C -0.059 174.858 174.900 0.029 0.000 1.334 91 G CA -0.055 45.056 45.100 0.019 0.000 0.974 91 G HN 0.932 nan 8.290 nan 0.000 0.550 92 R N 0.792 121.305 120.500 0.021 0.000 2.401 92 R HA 0.422 4.762 4.340 0.001 0.000 0.299 92 R C 0.067 176.396 176.300 0.050 0.000 1.064 92 R CA -0.032 56.085 56.100 0.028 0.000 1.000 92 R CB 0.366 30.678 30.300 0.019 0.000 0.973 92 R HN 0.380 nan 8.270 nan 0.000 0.438 93 V N 4.583 124.529 119.914 0.053 0.000 2.546 93 V HA 0.038 4.158 4.120 0.001 0.000 0.284 93 V C 0.360 176.502 176.094 0.080 0.000 1.050 93 V CA -0.621 61.723 62.300 0.073 0.000 0.981 93 V CB 1.356 33.212 31.823 0.054 0.000 0.990 93 V HN 0.687 nan 8.190 nan 0.000 0.474 94 N N 3.316 122.083 118.700 0.111 0.000 2.420 94 N HA 0.144 4.884 4.740 0.001 0.000 0.249 94 N C 0.714 176.303 175.510 0.132 0.000 1.033 94 N CA -0.252 52.867 53.050 0.114 0.000 0.944 94 N CB 1.517 40.079 38.487 0.125 0.000 1.113 94 N HN 0.633 nan 8.380 nan 0.000 0.502 95 Q N 3.748 123.611 119.800 0.104 0.000 2.096 95 Q HA -0.130 4.210 4.340 0.001 0.000 0.204 95 Q C 0.843 176.925 176.000 0.136 0.000 0.982 95 Q CA 1.992 57.858 55.803 0.106 0.000 0.850 95 Q CB 0.094 28.878 28.738 0.076 0.000 0.901 95 Q HN 0.672 nan 8.270 nan 0.000 0.422 96 K N -1.075 119.405 120.400 0.132 0.000 2.211 96 K HA 0.015 4.335 4.320 0.001 0.000 0.203 96 K C 1.912 178.640 176.600 0.214 0.000 1.050 96 K CA 0.866 57.241 56.287 0.146 0.000 0.945 96 K CB -0.351 32.222 32.500 0.123 0.000 0.732 96 K HN 0.381 nan 8.250 nan 0.000 0.451 97 G N 1.468 110.419 108.800 0.251 0.000 2.421 97 G HA2 -0.232 3.728 3.960 0.001 0.000 0.216 97 G HA3 -0.232 3.728 3.960 0.001 0.000 0.216 97 G C 1.438 176.633 174.900 0.491 0.000 1.171 97 G CA 0.627 45.955 45.100 0.379 0.000 0.775 97 G HN 0.093 nan 8.290 nan 0.000 0.543 98 L N 0.645 122.108 121.223 0.401 0.000 2.012 98 L HA -0.101 4.239 4.340 0.001 0.000 0.210 98 L C 2.604 179.711 176.870 0.395 0.000 1.073 98 L CA 1.443 56.561 54.840 0.463 0.000 0.748 98 L CB -0.494 41.710 42.059 0.241 0.000 0.891 98 L HN 0.120 nan 8.230 nan 0.000 0.431 99 D N -0.198 120.338 120.400 0.227 0.000 2.117 99 D HA -0.225 4.415 4.640 0.001 0.000 0.197 99 D C 1.911 178.204 176.300 -0.012 0.000 0.987 99 D CA 1.158 55.222 54.000 0.107 0.000 0.829 99 D CB -0.347 40.497 40.800 0.073 0.000 0.961 99 D HN 0.232 nan 8.370 nan 0.000 0.460 100 F N 0.517 120.378 119.950 -0.148 0.000 2.161 100 F HA -0.245 4.283 4.527 0.001 0.000 0.300 100 F C 1.724 177.187 175.800 -0.563 0.000 1.089 100 F CA 1.303 59.033 58.000 -0.451 0.000 1.282 100 F CB -0.332 38.388 39.000 -0.467 0.000 1.010 100 F HN -0.067 nan 8.300 nan 0.000 0.485 101 Y N -0.405 119.686 120.300 -0.348 0.000 2.476 101 Y HA 0.040 4.591 4.550 0.001 0.000 0.283 101 Y C 2.302 177.881 175.900 -0.535 0.000 1.109 101 Y CA 0.619 58.389 58.100 -0.550 0.000 1.246 101 Y CB -0.959 37.306 38.460 -0.325 0.000 1.068 101 Y HN -0.015 nan 8.280 nan 0.000 0.552 102 N N 0.628 119.260 118.700 -0.114 0.000 2.094 102 N HA -0.175 4.565 4.740 0.001 0.000 0.191 102 N C 1.769 177.158 175.510 -0.202 0.000 1.023 102 N CA 1.412 54.430 53.050 -0.052 0.000 0.857 102 N CB -0.247 38.319 38.487 0.131 0.000 1.013 102 N HN 0.370 nan 8.380 nan 0.000 0.426 103 R N 0.254 120.526 120.500 -0.380 0.000 2.090 103 R HA 0.103 4.443 4.340 0.001 0.000 0.228 103 R C 2.299 178.241 176.300 -0.597 0.000 1.110 103 R CA 0.580 56.386 56.100 -0.489 0.000 0.973 103 R CB -0.177 29.659 30.300 -0.774 0.000 0.869 103 R HN 0.261 nan 8.270 nan 0.000 0.440 104 I N 0.700 120.795 120.570 -0.793 0.000 2.179 104 I HA -0.287 3.884 4.170 0.001 0.000 0.242 104 I C 2.246 178.184 176.117 -0.298 0.000 1.088 104 I CA 1.432 62.391 61.300 -0.568 0.000 1.357 104 I CB -0.219 37.335 38.000 -0.743 0.000 1.051 104 I HN 0.122 nan 8.210 nan 0.000 0.409 105 I N 0.587 121.004 120.570 -0.256 0.000 2.179 105 I HA -0.298 3.873 4.170 0.001 0.000 0.242 105 I C 2.120 178.214 176.117 -0.038 0.000 1.088 105 I CA 1.366 62.608 61.300 -0.096 0.000 1.357 105 I CB -0.521 37.419 38.000 -0.100 0.000 1.051 105 I HN 0.229 nan 8.210 nan 0.000 0.409 106 D N 0.535 120.903 120.400 -0.053 0.000 2.123 106 D HA -0.153 4.487 4.640 0.001 0.000 0.196 106 D C 2.209 178.520 176.300 0.018 0.000 0.992 106 D CA 1.701 55.698 54.000 -0.004 0.000 0.833 106 D CB -0.483 40.316 40.800 -0.003 0.000 0.954 106 D HN 0.276 nan 8.370 nan 0.000 0.455 107 T N 1.115 115.682 114.554 0.021 0.000 2.788 107 T HA -0.059 4.291 4.350 0.001 0.000 0.268 107 T C 2.223 176.953 174.700 0.050 0.000 1.044 107 T CA 0.499 62.642 62.100 0.071 0.000 1.139 107 T CB -0.198 68.777 68.868 0.177 0.000 0.867 107 T HN 0.123 nan 8.240 nan 0.000 0.454 108 L N 0.090 121.337 121.223 0.039 0.000 2.093 108 L HA -0.039 4.301 4.340 0.001 0.000 0.208 108 L C 2.268 179.177 176.870 0.065 0.000 1.085 108 L CA 0.569 55.445 54.840 0.061 0.000 0.755 108 L CB -0.417 41.704 42.059 0.102 0.000 0.904 108 L HN 0.209 nan 8.230 nan 0.000 0.435 109 L N -0.279 120.978 121.223 0.057 0.000 2.044 109 L HA -0.163 4.178 4.340 0.001 0.000 0.205 109 L C 2.571 179.469 176.870 0.047 0.000 1.075 109 L CA 1.550 56.424 54.840 0.056 0.000 0.747 109 L CB -1.136 40.955 42.059 0.052 0.000 0.903 109 L HN 0.320 nan 8.230 nan 0.000 0.435 110 E N 0.369 120.594 120.200 0.041 0.000 2.171 110 E HA -0.265 4.085 4.350 0.001 0.000 0.197 110 E C 1.307 177.926 176.600 0.032 0.000 0.997 110 E CA 1.439 57.860 56.400 0.035 0.000 0.810 110 E CB 0.139 29.859 29.700 0.035 0.000 0.738 110 E HN 0.444 nan 8.360 nan 0.000 0.467 111 K N -1.192 119.228 120.400 0.034 0.000 2.372 111 K HA 0.150 4.470 4.320 0.001 0.000 0.200 111 K C 0.695 177.315 176.600 0.033 0.000 1.022 111 K CA 0.424 56.727 56.287 0.027 0.000 1.125 111 K CB 0.846 33.358 32.500 0.019 0.000 0.855 111 K HN 0.250 nan 8.250 nan 0.000 0.524 112 G N 2.107 110.933 108.800 0.043 0.000 2.176 112 G HA2 -0.260 3.701 3.960 0.001 0.000 0.252 112 G HA3 -0.260 3.701 3.960 0.001 0.000 0.252 112 G C -0.046 174.893 174.900 0.065 0.000 1.024 112 G CA -0.117 45.014 45.100 0.050 0.000 0.755 112 G HN 0.253 nan 8.290 nan 0.000 0.507 113 I N 1.132 121.749 120.570 0.078 0.000 2.359 113 I HA 0.330 4.500 4.170 0.001 0.000 0.294 113 I C 0.567 176.772 176.117 0.146 0.000 0.987 113 I CA -0.589 60.777 61.300 0.110 0.000 1.225 113 I CB 1.705 39.775 38.000 0.115 0.000 1.366 113 I HN -0.000 nan 8.210 nan 0.000 0.466 114 T N 7.819 122.475 114.554 0.172 0.000 2.723 114 T HA 0.245 4.595 4.350 0.001 0.000 0.297 114 T C -2.383 172.497 174.700 0.301 0.000 0.925 114 T CA -1.146 61.077 62.100 0.204 0.000 1.030 114 T CB 0.299 69.300 68.868 0.222 0.000 0.905 114 T HN 0.319 nan 8.240 nan 0.000 0.502 115 P HA 0.341 nan 4.420 nan 0.000 0.280 115 P C -0.957 176.413 177.300 0.116 0.000 1.244 115 P CA -0.537 62.728 63.100 0.275 0.000 0.784 115 P CB 0.381 32.230 31.700 0.248 0.000 0.913 116 F N 2.285 122.112 119.950 -0.206 0.000 2.403 116 F HA 0.241 4.769 4.527 0.001 0.000 0.355 116 F C 0.043 175.440 175.800 -0.672 0.000 1.119 116 F CA -0.839 56.920 58.000 -0.402 0.000 1.007 116 F CB 1.428 40.196 39.000 -0.387 0.000 1.194 116 F HN -0.015 nan 8.300 nan 0.000 0.443 117 V N 3.507 122.966 119.914 -0.759 0.000 2.383 117 V HA 0.275 4.396 4.120 0.001 0.000 0.275 117 V C 0.129 175.970 176.094 -0.421 0.000 1.036 117 V CA -0.552 61.196 62.300 -0.921 0.000 0.889 117 V CB 1.332 32.464 31.823 -1.152 0.000 0.985 117 V HN 0.692 nan 8.190 nan 0.000 0.459 118 T N 6.809 121.168 114.554 -0.324 0.000 2.729 118 T HA 0.374 4.725 4.350 0.001 0.000 0.296 118 T C 1.434 176.165 174.700 0.051 0.000 0.928 118 T CA -0.149 61.918 62.100 -0.055 0.000 1.045 118 T CB 0.797 69.680 68.868 0.026 0.000 0.902 118 T HN 0.422 nan 8.240 nan 0.000 0.500 119 I N 1.634 122.309 120.570 0.176 0.000 2.252 119 I HA -0.064 4.106 4.170 0.001 0.000 0.245 119 I C 0.436 176.838 176.117 0.476 0.000 1.102 119 I CA 1.238 62.662 61.300 0.207 0.000 1.385 119 I CB 0.070 38.120 38.000 0.083 0.000 1.064 119 I HN 0.556 nan 8.210 nan 0.000 0.414 120 Y N 0.165 120.718 120.300 0.421 0.000 2.349 120 Y HA 0.339 4.889 4.550 0.001 0.000 0.324 120 Y C -0.374 175.782 175.900 0.427 0.000 1.005 120 Y CA -0.937 57.507 58.100 0.572 0.000 1.240 120 Y CB 0.569 39.489 38.460 0.767 0.000 1.117 120 Y HN 0.025 nan 8.280 nan 0.000 0.463 121 H N 6.273 125.241 119.070 -0.170 0.000 2.500 121 H HA 0.215 4.771 4.556 0.001 0.000 0.243 121 H C -0.725 174.417 175.328 -0.311 0.000 1.318 121 H CA -0.093 55.769 56.048 -0.310 0.000 1.077 121 H CB 0.057 29.692 29.762 -0.213 0.000 1.748 121 H HN 0.850 nan 8.280 nan 0.000 0.556 122 W N -0.317 120.504 121.300 -0.798 0.000 0.882 122 W HA -0.222 4.438 4.660 0.001 0.000 0.228 122 W C -0.193 176.356 176.519 0.050 0.000 0.954 122 W CA 0.661 57.786 57.345 -0.367 0.000 0.359 122 W CB -1.921 27.398 29.460 -0.236 0.000 1.954 122 W HN 0.568 nan 8.180 nan 0.000 1.129 123 D N 1.760 122.326 120.400 0.276 0.000 2.713 123 D HA 0.386 5.026 4.640 0.001 0.000 0.229 123 D C 0.302 176.891 176.300 0.481 0.000 1.136 123 D CA -0.204 54.066 54.000 0.449 0.000 1.010 123 D CB -0.403 40.656 40.800 0.431 0.000 1.084 123 D HN 0.128 nan 8.370 nan 0.000 0.495 124 L N 1.246 122.812 121.223 0.572 0.000 2.456 124 L HA 0.250 4.590 4.340 0.001 0.000 0.272 124 L C -2.357 174.527 176.870 0.022 0.000 1.189 124 L CA -1.270 53.800 54.840 0.383 0.000 0.846 124 L CB 0.322 42.564 42.059 0.304 0.000 1.111 124 L HN -0.003 nan 8.230 nan 0.000 0.475 125 P HA -0.072 nan 4.420 nan 0.000 0.264 125 P C 0.028 177.223 177.300 -0.175 0.000 1.193 125 P CA 0.303 63.226 63.100 -0.295 0.000 0.763 125 P CB 0.228 31.555 31.700 -0.622 0.000 0.810 126 F N 4.890 124.748 119.950 -0.153 0.000 2.216 126 F HA -0.187 4.340 4.527 0.001 0.000 0.300 126 F C 2.044 177.743 175.800 -0.168 0.000 1.085 126 F CA 1.828 59.759 58.000 -0.115 0.000 1.326 126 F CB -0.621 38.352 39.000 -0.044 0.000 1.027 126 F HN 0.351 nan 8.300 nan 0.000 0.497 127 A N 0.243 122.924 122.820 -0.231 0.000 2.024 127 A HA -0.128 4.193 4.320 0.001 0.000 0.220 127 A C 2.220 179.511 177.584 -0.487 0.000 1.164 127 A CA 1.760 53.588 52.037 -0.348 0.000 0.643 127 A CB -0.984 17.862 19.000 -0.257 0.000 0.806 127 A HN 0.514 nan 8.150 nan 0.000 0.451 128 L N -1.749 119.149 121.223 -0.543 0.000 2.307 128 L HA -0.059 4.281 4.340 0.001 0.000 0.211 128 L C 2.617 179.254 176.870 -0.388 0.000 1.099 128 L CA 1.006 55.467 54.840 -0.633 0.000 0.816 128 L CB -0.300 41.305 42.059 -0.757 0.000 0.952 128 L HN 0.399 nan 8.230 nan 0.000 0.455 129 Q N 0.948 120.518 119.800 -0.383 0.000 2.170 129 Q HA -0.142 4.198 4.340 0.001 0.000 0.203 129 Q C 2.113 177.913 176.000 -0.333 0.000 0.976 129 Q CA 1.568 57.193 55.803 -0.297 0.000 0.858 129 Q CB -0.228 28.348 28.738 -0.271 0.000 0.907 129 Q HN 0.461 nan 8.270 nan 0.000 0.433 130 L N -0.171 120.754 121.223 -0.497 0.000 2.191 130 L HA -0.128 4.212 4.340 0.001 0.000 0.212 130 L C 1.528 178.272 176.870 -0.211 0.000 1.103 130 L CA 1.209 55.818 54.840 -0.386 0.000 0.769 130 L CB -0.208 41.596 42.059 -0.426 0.000 0.908 130 L HN 0.130 nan 8.230 nan 0.000 0.438 131 K N -0.339 119.950 120.400 -0.185 0.000 2.410 131 K HA 0.215 4.536 4.320 0.001 0.000 0.200 131 K C 1.081 177.726 176.600 0.075 0.000 1.023 131 K CA 0.507 56.770 56.287 -0.039 0.000 1.149 131 K CB 0.637 33.115 32.500 -0.037 0.000 0.859 131 K HN 0.339 nan 8.250 nan 0.000 0.514 132 G N 0.471 109.272 108.800 0.002 0.000 2.218 132 G HA2 -0.247 3.714 3.960 0.001 0.000 0.216 132 G HA3 -0.247 3.714 3.960 0.001 0.000 0.216 132 G C 0.656 175.579 174.900 0.039 0.000 0.994 132 G CA -0.125 44.993 45.100 0.030 0.000 0.637 132 G HN 0.608 nan 8.290 nan 0.000 0.505 133 G N -0.330 108.493 108.800 0.039 0.000 2.596 133 G HA2 -0.317 3.643 3.960 0.001 0.000 0.295 133 G HA3 -0.317 3.643 3.960 0.001 0.000 0.295 133 G C 0.857 175.659 174.900 -0.162 0.000 1.240 133 G CA 1.029 46.083 45.100 -0.078 0.000 0.985 133 G HN 1.116 nan 8.290 nan 0.000 0.555 134 W N 1.248 122.559 121.300 0.018 0.000 2.632 134 W HA 0.286 4.946 4.660 0.001 0.000 0.248 134 W C 2.832 179.253 176.519 -0.163 0.000 1.259 134 W CA 1.173 58.447 57.345 -0.117 0.000 1.288 134 W CB -0.260 29.072 29.460 -0.214 0.000 1.136 134 W HN 0.754 nan 8.180 nan 0.000 0.640 135 A N -0.118 122.723 122.820 0.035 0.000 2.067 135 A HA -0.080 4.240 4.320 0.001 0.000 0.217 135 A C 1.090 178.671 177.584 -0.005 0.000 1.156 135 A CA 0.601 52.641 52.037 0.005 0.000 0.683 135 A CB -0.396 18.619 19.000 0.026 0.000 0.808 135 A HN 0.106 nan 8.150 nan 0.000 0.455 136 N N 0.122 118.790 118.700 -0.052 0.000 2.426 136 N HA 0.189 4.930 4.740 0.001 0.000 0.257 136 N C 0.729 176.107 175.510 -0.220 0.000 1.002 136 N CA -0.305 52.674 53.050 -0.119 0.000 0.942 136 N CB 0.683 39.099 38.487 -0.119 0.000 1.112 136 N HN 0.251 nan 8.380 nan 0.000 0.499 137 R N 2.184 122.600 120.500 -0.140 0.000 2.170 137 R HA -0.145 4.196 4.340 0.001 0.000 0.242 137 R C 0.872 177.000 176.300 -0.285 0.000 1.145 137 R CA 1.516 57.535 56.100 -0.136 0.000 0.984 137 R CB 0.163 30.432 30.300 -0.051 0.000 0.869 137 R HN 0.700 nan 8.270 nan 0.000 0.455 138 E N 0.417 120.351 120.200 -0.444 0.000 2.265 138 E HA -0.197 4.154 4.350 0.001 0.000 0.196 138 E C 1.810 177.650 176.600 -1.267 0.000 0.996 138 E CA 0.634 56.613 56.400 -0.702 0.000 0.832 138 E CB -0.189 29.125 29.700 -0.642 0.000 0.756 138 E HN 0.363 nan 8.360 nan 0.000 0.491 139 I N 0.965 120.770 120.570 -1.274 0.000 2.399 139 I HA -0.325 3.845 4.170 0.001 0.000 0.254 139 I C 2.196 178.129 176.117 -0.306 0.000 1.146 139 I CA 0.970 61.712 61.300 -0.930 0.000 1.412 139 I CB 0.013 37.649 38.000 -0.607 0.000 1.076 139 I HN 0.077 nan 8.210 nan 0.000 0.432 140 A N -0.152 122.539 122.820 -0.215 0.000 1.972 140 A HA -0.221 4.099 4.320 0.001 0.000 0.219 140 A C 1.987 179.589 177.584 0.029 0.000 1.169 140 A CA 1.953 53.983 52.037 -0.011 0.000 0.635 140 A CB -0.554 18.431 19.000 -0.025 0.000 0.810 140 A HN 0.452 nan 8.150 nan 0.000 0.446 141 D N -0.914 119.430 120.400 -0.093 0.000 2.103 141 D HA -0.140 4.501 4.640 0.001 0.000 0.199 141 D C 1.822 178.237 176.300 0.192 0.000 0.978 141 D CA 1.039 55.043 54.000 0.008 0.000 0.829 141 D CB -0.312 40.464 40.800 -0.040 0.000 0.981 141 D HN 0.664 nan 8.370 nan 0.000 0.464 142 W N 0.782 122.176 121.300 0.156 0.000 2.358 142 W HA -0.114 4.547 4.660 0.001 0.000 0.303 142 W C 2.276 178.998 176.519 0.338 0.000 1.208 142 W CA -0.067 57.424 57.345 0.243 0.000 1.274 142 W CB -1.646 27.960 29.460 0.244 0.000 1.138 142 W HN -0.039 nan 8.180 nan 0.000 0.515 143 F N 1.294 121.464 119.950 0.366 0.000 2.102 143 F HA -0.084 4.443 4.527 0.001 0.000 0.298 143 F C 2.467 178.262 175.800 -0.009 0.000 1.105 143 F CA 2.357 60.439 58.000 0.136 0.000 1.239 143 F CB -0.859 38.239 39.000 0.164 0.000 0.991 143 F HN -0.152 nan 8.300 nan 0.000 0.474 144 A N -0.122 122.756 122.820 0.097 0.000 1.917 144 A HA -0.304 4.016 4.320 0.001 0.000 0.219 144 A C 2.273 179.773 177.584 -0.141 0.000 1.182 144 A CA 2.086 54.092 52.037 -0.053 0.000 0.633 144 A CB -1.116 17.907 19.000 0.038 0.000 0.819 144 A HN 0.596 nan 8.150 nan 0.000 0.448 145 E N -1.684 118.504 120.200 -0.020 0.000 2.072 145 E HA -0.234 4.117 4.350 0.001 0.000 0.191 145 E C 1.908 178.449 176.600 -0.098 0.000 0.985 145 E CA 1.436 57.826 56.400 -0.016 0.000 0.801 145 E CB -0.363 29.400 29.700 0.105 0.000 0.750 145 E HN 0.692 nan 8.360 nan 0.000 0.452 146 Y N 1.684 121.807 120.300 -0.295 0.000 2.114 146 Y HA -0.193 4.357 4.550 0.001 0.000 0.284 146 Y C 2.407 177.881 175.900 -0.710 0.000 1.143 146 Y CA 1.935 59.719 58.100 -0.528 0.000 1.135 146 Y CB -0.758 37.090 38.460 -1.020 0.000 0.980 146 Y HN -0.014 nan 8.280 nan 0.000 0.499 147 S N 0.801 115.798 115.700 -1.170 0.000 2.359 147 S HA -0.269 4.202 4.470 0.001 0.000 0.224 147 S C 2.101 175.842 174.600 -1.432 0.000 1.035 147 S CA 1.566 58.857 58.200 -1.515 0.000 1.018 147 S CB -0.526 61.895 63.200 -1.299 0.000 0.876 147 S HN 0.533 nan 8.310 nan 0.000 0.448 148 R N 1.022 121.065 120.500 -0.762 0.000 2.112 148 R HA -0.156 4.184 4.340 0.001 0.000 0.242 148 R C 2.079 178.142 176.300 -0.396 0.000 1.137 148 R CA 1.948 57.797 56.100 -0.418 0.000 0.944 148 R CB -0.742 29.445 30.300 -0.189 0.000 0.857 148 R HN 0.278 nan 8.270 nan 0.000 0.435 149 V N 1.602 121.303 119.914 -0.355 0.000 2.278 149 V HA -0.313 3.807 4.120 0.001 0.000 0.251 149 V C 2.433 178.296 176.094 -0.386 0.000 1.062 149 V CA 2.125 64.257 62.300 -0.280 0.000 1.038 149 V CB -0.491 31.239 31.823 -0.155 0.000 0.646 149 V HN 0.375 nan 8.190 nan 0.000 0.447 150 L N -1.563 119.336 121.223 -0.539 0.000 2.056 150 L HA -0.115 4.225 4.340 0.001 0.000 0.207 150 L C 2.511 179.248 176.870 -0.222 0.000 1.078 150 L CA 1.460 56.062 54.840 -0.397 0.000 0.749 150 L CB -0.704 41.128 42.059 -0.377 0.000 0.901 150 L HN 0.258 nan 8.230 nan 0.000 0.433 151 F N 0.644 120.357 119.950 -0.395 0.000 2.186 151 F HA -0.137 4.391 4.527 0.001 0.000 0.299 151 F C 2.558 178.245 175.800 -0.188 0.000 1.090 151 F CA 0.804 58.565 58.000 -0.398 0.000 1.307 151 F CB -0.876 37.836 39.000 -0.480 0.000 1.019 151 F HN 0.113 nan 8.300 nan 0.000 0.489 152 E N -0.190 119.987 120.200 -0.038 0.000 2.107 152 E HA -0.139 4.212 4.350 0.001 0.000 0.191 152 E C 1.838 178.396 176.600 -0.070 0.000 0.982 152 E CA 0.862 57.230 56.400 -0.054 0.000 0.809 152 E CB -0.184 29.466 29.700 -0.083 0.000 0.756 152 E HN 0.415 nan 8.360 nan 0.000 0.459 153 N N -0.596 117.987 118.700 -0.194 0.000 2.395 153 N HA -0.015 4.725 4.740 0.001 0.000 0.175 153 N C 0.758 176.198 175.510 -0.117 0.000 1.029 153 N CA 0.799 53.667 53.050 -0.303 0.000 0.897 153 N CB 0.331 38.398 38.487 -0.699 0.000 0.991 153 N HN 0.108 nan 8.380 nan 0.000 0.441 154 F N -0.660 119.425 119.950 0.225 0.000 2.789 154 F HA 0.358 4.885 4.527 0.001 0.000 0.320 154 F C 2.230 178.252 175.800 0.371 0.000 1.079 154 F CA -0.537 57.639 58.000 0.293 0.000 1.205 154 F CB -0.741 38.478 39.000 0.365 0.000 1.046 154 F HN -0.140 nan 8.300 nan 0.000 0.586 155 G N 0.904 110.027 108.800 0.539 0.000 2.479 155 G HA2 -0.251 3.710 3.960 0.001 0.000 0.220 155 G HA3 -0.251 3.710 3.960 0.001 0.000 0.220 155 G C 1.352 176.406 174.900 0.257 0.000 1.115 155 G CA 1.328 46.694 45.100 0.444 0.000 0.757 155 G HN 0.419 nan 8.290 nan 0.000 0.560 156 D N 0.397 120.917 120.400 0.201 0.000 2.224 156 D HA -0.041 4.599 4.640 0.001 0.000 0.205 156 D C 2.219 178.600 176.300 0.135 0.000 0.965 156 D CA 0.554 54.631 54.000 0.129 0.000 0.852 156 D CB -0.259 40.602 40.800 0.100 0.000 0.947 156 D HN 0.365 nan 8.370 nan 0.000 0.494 157 R N -0.260 120.344 120.500 0.174 0.000 2.287 157 R HA 0.272 4.612 4.340 0.001 0.000 0.197 157 R C 0.182 176.547 176.300 0.107 0.000 0.900 157 R CA -0.038 56.139 56.100 0.128 0.000 1.052 157 R CB 1.118 31.487 30.300 0.115 0.000 1.117 157 R HN -0.039 nan 8.270 nan 0.000 0.568 158 V N 2.336 122.337 119.914 0.146 0.000 2.407 158 V HA 0.181 4.302 4.120 0.001 0.000 0.278 158 V C 0.462 176.629 176.094 0.122 0.000 1.037 158 V CA -0.123 62.163 62.300 -0.023 0.000 0.900 158 V CB 1.664 33.285 31.823 -0.338 0.000 0.983 158 V HN 0.140 nan 8.190 nan 0.000 0.459 159 K N 2.201 122.591 120.400 -0.017 0.000 2.450 159 K HA 0.293 4.613 4.320 0.001 0.000 0.206 159 K C 0.015 176.656 176.600 0.068 0.000 1.148 159 K CA 0.072 56.445 56.287 0.143 0.000 1.014 159 K CB 0.611 33.158 32.500 0.078 0.000 0.966 159 K HN 0.534 nan 8.250 nan 0.000 0.566 160 N N 0.502 118.990 118.700 -0.354 0.000 2.446 160 N HA 0.224 4.964 4.740 0.001 0.000 0.265 160 N C -1.130 173.971 175.510 -0.682 0.000 0.975 160 N CA -0.263 52.400 53.050 -0.646 0.000 0.928 160 N CB 1.009 38.517 38.487 -1.631 0.000 1.160 160 N HN -0.087 nan 8.380 nan 0.000 0.495 161 W N 1.844 122.979 121.300 -0.275 0.000 2.864 161 W HA 0.611 5.271 4.660 0.001 0.000 0.343 161 W C -0.191 176.250 176.519 -0.131 0.000 1.109 161 W CA -0.551 56.676 57.345 -0.197 0.000 1.192 161 W CB 1.484 30.815 29.460 -0.215 0.000 1.426 161 W HN 0.155 nan 8.180 nan 0.000 0.529 162 I N 2.160 122.825 120.570 0.157 0.000 2.478 162 I HA 0.150 4.320 4.170 0.001 0.000 0.287 162 I C 1.149 177.329 176.117 0.106 0.000 1.042 162 I CA -0.511 60.816 61.300 0.044 0.000 1.067 162 I CB 2.298 40.316 38.000 0.031 0.000 1.233 162 I HN 0.655 nan 8.210 nan 0.000 0.431 163 T N 4.650 119.260 114.554 0.093 0.000 2.639 163 T HA 0.095 4.445 4.350 0.001 0.000 0.261 163 T C 0.606 175.496 174.700 0.316 0.000 1.053 163 T CA 0.827 63.093 62.100 0.278 0.000 1.158 163 T CB -0.044 69.033 68.868 0.348 0.000 0.863 163 T HN 0.358 nan 8.240 nan 0.000 0.413 164 L N 1.616 122.894 121.223 0.092 0.000 2.365 164 L HA 0.554 4.895 4.340 0.001 0.000 0.273 164 L C -0.728 176.087 176.870 -0.092 0.000 1.000 164 L CA -1.099 53.769 54.840 0.046 0.000 0.819 164 L CB 1.761 43.719 42.059 -0.169 0.000 1.284 164 L HN 0.171 nan 8.230 nan 0.000 0.418 165 N N 1.907 120.582 118.700 -0.042 0.000 2.419 165 N HA 0.133 4.873 4.740 0.001 0.000 0.264 165 N C -0.677 174.823 175.510 -0.017 0.000 1.031 165 N CA -0.097 52.830 53.050 -0.206 0.000 0.951 165 N CB 0.513 38.583 38.487 -0.695 0.000 1.101 165 N HN 0.576 nan 8.380 nan 0.000 0.488 166 E N 2.063 122.202 120.200 -0.101 0.000 2.273 166 E HA -0.174 4.176 4.350 0.001 0.000 0.177 166 E C -1.766 174.782 176.600 -0.085 0.000 1.511 166 E CA 0.019 56.422 56.400 0.005 0.000 0.675 166 E CB -0.385 29.436 29.700 0.202 0.000 1.094 166 E HN 0.676 nan 8.360 nan 0.000 0.348 167 P HA -0.199 nan 4.420 nan 0.000 0.222 167 P C 1.222 178.366 177.300 -0.260 0.000 1.147 167 P CA 1.046 63.857 63.100 -0.481 0.000 0.790 167 P CB -0.047 31.141 31.700 -0.853 0.000 0.780 168 W N 1.063 122.210 121.300 -0.254 0.000 2.363 168 W HA -0.168 4.492 4.660 0.001 0.000 0.296 168 W C 1.929 178.284 176.519 -0.274 0.000 1.212 168 W CA 1.245 58.552 57.345 -0.064 0.000 1.260 168 W CB -0.662 28.782 29.460 -0.027 0.000 1.131 168 W HN -0.304 nan 8.180 nan 0.000 0.530 169 V N 0.003 119.928 119.914 0.018 0.000 2.307 169 V HA -0.306 3.815 4.120 0.001 0.000 0.245 169 V C 2.144 177.864 176.094 -0.623 0.000 1.045 169 V CA 1.776 63.908 62.300 -0.279 0.000 1.024 169 V CB -1.304 30.407 31.823 -0.187 0.000 0.651 169 V HN 0.107 nan 8.190 nan 0.000 0.449 170 V N 0.521 120.056 119.914 -0.632 0.000 2.250 170 V HA -0.343 3.777 4.120 0.001 0.000 0.250 170 V C 2.684 178.561 176.094 -0.361 0.000 1.060 170 V CA 2.451 64.402 62.300 -0.582 0.000 1.030 170 V CB -1.263 30.250 31.823 -0.516 0.000 0.643 170 V HN 0.572 nan 8.190 nan 0.000 0.445 171 A N 0.079 122.636 122.820 -0.438 0.000 1.832 171 A HA -0.118 4.202 4.320 0.001 0.000 0.214 171 A C 2.107 179.370 177.584 -0.535 0.000 1.200 171 A CA 1.948 53.721 52.037 -0.439 0.000 0.610 171 A CB -0.508 18.205 19.000 -0.478 0.000 0.842 171 A HN 0.394 nan 8.150 nan 0.000 0.444 172 I N -0.105 119.899 120.570 -0.944 0.000 2.277 172 I HA -0.105 4.066 4.170 0.001 0.000 0.243 172 I C 2.457 177.895 176.117 -1.131 0.000 1.094 172 I CA 1.100 61.672 61.300 -1.213 0.000 1.393 172 I CB -1.462 35.319 38.000 -2.031 0.000 1.078 172 I HN 0.119 nan 8.210 nan 0.000 0.417 173 V N 1.265 120.568 119.914 -1.018 0.000 2.667 173 V HA -0.047 4.073 4.120 0.001 0.000 0.252 173 V C 2.518 178.288 176.094 -0.541 0.000 1.065 173 V CA 1.699 63.560 62.300 -0.731 0.000 1.083 173 V CB -1.155 30.256 31.823 -0.687 0.000 0.692 173 V HN 0.505 nan 8.190 nan 0.000 0.468 174 G N -1.391 107.097 108.800 -0.521 0.000 2.494 174 G HA2 -0.103 3.858 3.960 0.001 0.000 0.216 174 G HA3 -0.103 3.858 3.960 0.001 0.000 0.216 174 G C 1.185 175.719 174.900 -0.611 0.000 1.140 174 G CA 0.466 45.246 45.100 -0.534 0.000 0.801 174 G HN 0.643 nan 8.290 nan 0.000 0.536 175 H N -2.113 116.745 119.070 -0.354 0.000 3.255 175 H HA 0.324 4.880 4.556 0.001 0.000 0.256 175 H C 1.614 176.791 175.328 -0.252 0.000 1.049 175 H CA -0.203 55.691 56.048 -0.256 0.000 1.202 175 H CB 0.726 30.347 29.762 -0.234 0.000 1.497 175 H HN 0.221 nan 8.280 nan 0.000 0.503 176 L N -0.687 120.376 121.223 -0.266 0.000 2.349 176 L HA 0.104 4.445 4.340 0.001 0.000 0.200 176 L C 1.026 177.855 176.870 -0.067 0.000 1.064 176 L CA 1.296 55.999 54.840 -0.229 0.000 0.821 176 L CB -0.369 41.462 42.059 -0.379 0.000 1.027 176 L HN 0.071 nan 8.230 nan 0.000 0.476 177 Y N 0.809 121.006 120.300 -0.170 0.000 2.395 177 Y HA 0.379 4.929 4.550 0.001 0.000 0.293 177 Y C 2.056 177.901 175.900 -0.092 0.000 1.123 177 Y CA -0.013 58.014 58.100 -0.122 0.000 1.227 177 Y CB -1.105 37.273 38.460 -0.137 0.000 1.012 177 Y HN 0.304 nan 8.280 nan 0.000 0.552 178 G N -0.396 108.403 108.800 -0.002 0.000 2.168 178 G HA2 -0.296 3.665 3.960 0.001 0.000 0.257 178 G HA3 -0.296 3.665 3.960 0.001 0.000 0.257 178 G C 1.051 176.005 174.900 0.090 0.000 0.997 178 G CA 0.626 45.725 45.100 -0.002 0.000 0.708 178 G HN 0.313 nan 8.290 nan 0.000 0.520 179 V N -0.498 119.456 119.914 0.067 0.000 2.878 179 V HA 0.166 4.287 4.120 0.001 0.000 0.250 179 V C 1.307 177.550 176.094 0.248 0.000 1.075 179 V CA 1.477 63.890 62.300 0.187 0.000 1.096 179 V CB -0.176 31.719 31.823 0.121 0.000 0.724 179 V HN 0.656 nan 8.190 nan 0.000 0.467 180 H N -1.280 117.637 119.070 -0.255 0.000 2.651 180 H HA 0.660 5.217 4.556 0.001 0.000 0.353 180 H C 0.277 174.732 175.328 -1.455 0.000 1.178 180 H CA -0.638 55.021 56.048 -0.649 0.000 1.224 180 H CB 1.527 31.078 29.762 -0.351 0.000 1.702 180 H HN 0.325 nan 8.280 nan 0.000 0.550 181 A N 2.192 123.728 122.820 -2.139 0.000 2.531 181 A HA 0.033 4.353 4.320 0.001 0.000 0.236 181 A C -1.622 175.446 177.584 -0.860 0.000 1.062 181 A CA -0.859 50.130 52.037 -1.746 0.000 0.760 181 A CB -0.136 17.812 19.000 -1.753 0.000 0.995 181 A HN 0.607 nan 8.150 nan 0.000 0.501 182 P HA 0.132 nan 4.420 nan 0.000 0.249 182 P C 0.683 177.828 177.300 -0.258 0.000 1.229 182 P CA 0.966 63.830 63.100 -0.394 0.000 0.788 182 P CB 0.125 31.690 31.700 -0.226 0.000 1.072 183 G N 0.040 108.614 108.800 -0.376 0.000 2.204 183 G HA2 -0.212 3.748 3.960 0.001 0.000 0.244 183 G HA3 -0.212 3.748 3.960 0.001 0.000 0.244 183 G C -0.072 174.806 174.900 -0.036 0.000 1.062 183 G CA -0.327 44.761 45.100 -0.020 0.000 0.798 183 G HN 0.221 nan 8.290 nan 0.000 0.496 184 M N -0.534 118.977 119.600 -0.149 0.000 2.598 184 M HA 0.543 5.023 4.480 0.001 0.000 0.317 184 M C 0.608 176.876 176.300 -0.053 0.000 1.201 184 M CA -0.653 54.602 55.300 -0.074 0.000 0.971 184 M CB 1.691 34.260 32.600 -0.052 0.000 1.657 184 M HN 0.087 nan 8.290 nan 0.000 0.470 185 R N 1.960 122.452 120.500 -0.012 0.000 2.585 185 R HA 0.278 4.619 4.340 0.001 0.000 0.278 185 R C -1.493 174.811 176.300 0.006 0.000 1.663 185 R CA -0.263 55.837 56.100 -0.000 0.000 1.592 185 R CB 0.565 30.877 30.300 0.020 0.000 1.200 185 R HN 0.575 nan 8.270 nan 0.000 0.611 186 D N 2.381 122.779 120.400 -0.002 0.000 2.763 186 D HA 0.111 4.751 4.640 0.001 0.000 0.235 186 D C 0.300 176.595 176.300 -0.008 0.000 1.334 186 D CA -0.445 53.569 54.000 0.023 0.000 0.950 186 D CB 1.740 42.569 40.800 0.050 0.000 1.433 186 D HN 0.301 nan 8.370 nan 0.000 0.580 187 I N 3.528 124.069 120.570 -0.047 0.000 2.617 187 I HA -0.171 3.999 4.170 0.001 0.000 0.256 187 I C 0.951 176.953 176.117 -0.191 0.000 1.167 187 I CA 0.735 61.883 61.300 -0.253 0.000 1.469 187 I CB 0.190 37.828 38.000 -0.603 0.000 1.098 187 I HN 0.397 nan 8.210 nan 0.000 0.436 188 Y N -0.456 119.781 120.300 -0.105 0.000 2.286 188 Y HA -0.122 4.429 4.550 0.001 0.000 0.293 188 Y C 2.398 178.311 175.900 0.021 0.000 1.124 188 Y CA 1.117 59.233 58.100 0.027 0.000 1.178 188 Y CB -0.700 37.789 38.460 0.049 0.000 1.010 188 Y HN -0.069 nan 8.280 nan 0.000 0.536 189 V N -0.358 119.635 119.914 0.132 0.000 2.427 189 V HA -0.281 3.839 4.120 0.001 0.000 0.248 189 V C 2.458 178.507 176.094 -0.075 0.000 1.051 189 V CA 1.572 63.897 62.300 0.041 0.000 1.048 189 V CB -1.241 30.616 31.823 0.056 0.000 0.666 189 V HN 0.437 nan 8.190 nan 0.000 0.456 190 A N -0.346 122.400 122.820 -0.123 0.000 1.877 190 A HA -0.169 4.151 4.320 0.001 0.000 0.216 190 A C 1.995 179.337 177.584 -0.404 0.000 1.186 190 A CA 1.740 53.588 52.037 -0.315 0.000 0.620 190 A CB -0.699 18.053 19.000 -0.412 0.000 0.822 190 A HN 0.470 nan 8.150 nan 0.000 0.443 191 F N -0.325 119.523 119.950 -0.170 0.000 2.325 191 F HA -0.015 4.513 4.527 0.001 0.000 0.299 191 F C 2.446 178.189 175.800 -0.096 0.000 1.090 191 F CA 1.270 59.178 58.000 -0.154 0.000 1.392 191 F CB -0.194 38.702 39.000 -0.174 0.000 1.053 191 F HN 0.088 nan 8.300 nan 0.000 0.521 192 R N -0.196 120.350 120.500 0.077 0.000 2.148 192 R HA -0.054 4.286 4.340 0.001 0.000 0.227 192 R C 2.412 178.738 176.300 0.043 0.000 1.103 192 R CA 0.943 57.093 56.100 0.084 0.000 0.983 192 R CB -0.516 29.831 30.300 0.077 0.000 0.874 192 R HN 0.248 nan 8.270 nan 0.000 0.451 193 A N 0.422 123.179 122.820 -0.104 0.000 1.877 193 A HA -0.114 4.206 4.320 0.001 0.000 0.216 193 A C 2.259 179.773 177.584 -0.117 0.000 1.186 193 A CA 1.332 53.258 52.037 -0.185 0.000 0.620 193 A CB -0.594 18.091 19.000 -0.525 0.000 0.822 193 A HN 0.110 nan 8.150 nan 0.000 0.443 194 V N -0.415 119.438 119.914 -0.101 0.000 2.282 194 V HA -0.321 3.799 4.120 0.001 0.000 0.249 194 V C 2.515 178.732 176.094 0.204 0.000 1.057 194 V CA 2.683 65.014 62.300 0.052 0.000 1.032 194 V CB -0.962 30.848 31.823 -0.021 0.000 0.645 194 V HN 0.829 nan 8.190 nan 0.000 0.447 195 H N 0.499 119.636 119.070 0.111 0.000 2.357 195 H HA -0.068 4.488 4.556 0.001 0.000 0.301 195 H C 2.215 177.625 175.328 0.137 0.000 1.082 195 H CA 1.797 57.957 56.048 0.187 0.000 1.342 195 H CB -0.071 29.795 29.762 0.173 0.000 1.389 195 H HN 0.346 nan 8.280 nan 0.000 0.511 196 N N 0.105 118.876 118.700 0.118 0.000 2.244 196 N HA -0.108 4.632 4.740 0.001 0.000 0.183 196 N C 2.000 177.559 175.510 0.081 0.000 1.016 196 N CA 0.838 53.937 53.050 0.082 0.000 0.866 196 N CB -0.210 38.363 38.487 0.144 0.000 0.980 196 N HN 0.367 nan 8.380 nan 0.000 0.430 197 L N 0.486 121.695 121.223 -0.024 0.000 2.017 197 L HA -0.098 4.242 4.340 0.001 0.000 0.208 197 L C 2.240 179.057 176.870 -0.090 0.000 1.073 197 L CA 0.798 55.487 54.840 -0.250 0.000 0.745 197 L CB -0.376 41.432 42.059 -0.419 0.000 0.894 197 L HN 0.110 nan 8.230 nan 0.000 0.432 198 L N -0.725 120.517 121.223 0.032 0.000 2.017 198 L HA -0.232 4.108 4.340 0.001 0.000 0.208 198 L C 2.839 179.731 176.870 0.037 0.000 1.073 198 L CA 1.406 56.288 54.840 0.071 0.000 0.745 198 L CB -0.389 41.715 42.059 0.075 0.000 0.894 198 L HN 0.197 nan 8.230 nan 0.000 0.432 199 R N -0.435 120.028 120.500 -0.060 0.000 2.096 199 R HA -0.120 4.221 4.340 0.001 0.000 0.235 199 R C 2.392 178.705 176.300 0.022 0.000 1.127 199 R CA 1.241 57.310 56.100 -0.051 0.000 0.968 199 R CB -0.506 29.732 30.300 -0.103 0.000 0.861 199 R HN 0.356 nan 8.270 nan 0.000 0.440 200 A N 0.749 123.597 122.820 0.047 0.000 1.898 200 A HA -0.236 4.084 4.320 0.001 0.000 0.216 200 A C 1.990 179.661 177.584 0.146 0.000 1.181 200 A CA 1.826 53.925 52.037 0.103 0.000 0.620 200 A CB -0.765 18.274 19.000 0.064 0.000 0.819 200 A HN 0.518 nan 8.150 nan 0.000 0.442 201 H N 0.048 119.087 119.070 -0.051 0.000 2.319 201 H HA -0.015 4.541 4.556 0.001 0.000 0.299 201 H C 2.008 177.368 175.328 0.053 0.000 1.092 201 H CA 2.319 58.373 56.048 0.011 0.000 1.302 201 H CB -0.298 29.413 29.762 -0.085 0.000 1.373 201 H HN 0.357 nan 8.280 nan 0.000 0.497 202 A N 0.523 123.246 122.820 -0.162 0.000 1.930 202 A HA -0.092 4.229 4.320 0.001 0.000 0.217 202 A C 2.493 180.005 177.584 -0.121 0.000 1.175 202 A CA 1.379 53.288 52.037 -0.213 0.000 0.627 202 A CB -0.635 18.348 19.000 -0.027 0.000 0.815 202 A HN 0.512 nan 8.150 nan 0.000 0.443 203 R N -0.468 120.021 120.500 -0.019 0.000 2.092 203 R HA -0.030 4.310 4.340 0.001 0.000 0.231 203 R C 2.274 178.593 176.300 0.032 0.000 1.119 203 R CA 1.242 57.353 56.100 0.019 0.000 0.970 203 R CB -0.340 29.992 30.300 0.054 0.000 0.864 203 R HN 0.441 nan 8.270 nan 0.000 0.440 204 A N 0.072 122.941 122.820 0.082 0.000 1.933 204 A HA -0.098 4.223 4.320 0.001 0.000 0.218 204 A C 2.176 179.797 177.584 0.061 0.000 1.175 204 A CA 1.490 53.581 52.037 0.091 0.000 0.628 204 A CB -0.417 18.685 19.000 0.171 0.000 0.814 204 A HN 0.211 nan 8.150 nan 0.000 0.444 205 V N 0.183 120.022 119.914 -0.126 0.000 2.358 205 V HA -0.269 3.851 4.120 0.001 0.000 0.246 205 V C 2.492 178.562 176.094 -0.041 0.000 1.047 205 V CA 2.359 64.561 62.300 -0.162 0.000 1.035 205 V CB -0.717 30.920 31.823 -0.311 0.000 0.658 205 V HN 0.708 nan 8.190 nan 0.000 0.452 206 K N 0.216 120.589 120.400 -0.045 0.000 2.044 206 K HA -0.187 4.134 4.320 0.001 0.000 0.210 206 K C 1.970 178.569 176.600 -0.003 0.000 1.049 206 K CA 1.894 58.168 56.287 -0.021 0.000 0.927 206 K CB -0.294 32.194 32.500 -0.021 0.000 0.713 206 K HN 0.316 nan 8.250 nan 0.000 0.443 207 V N 0.848 120.785 119.914 0.039 0.000 2.515 207 V HA -0.187 3.933 4.120 0.001 0.000 0.250 207 V C 1.976 178.088 176.094 0.031 0.000 1.058 207 V CA 1.647 63.986 62.300 0.065 0.000 1.064 207 V CB -0.618 31.274 31.823 0.114 0.000 0.675 207 V HN 0.324 nan 8.190 nan 0.000 0.461 208 F N 1.465 121.266 119.950 -0.249 0.000 2.075 208 F HA -0.155 4.372 4.527 0.001 0.000 0.297 208 F C 2.597 178.132 175.800 -0.442 0.000 1.113 208 F CA 1.603 59.150 58.000 -0.755 0.000 1.218 208 F CB -0.235 38.229 39.000 -0.894 0.000 0.984 208 F HN -0.023 nan 8.300 nan 0.000 0.472 209 R N 0.939 121.360 120.500 -0.133 0.000 2.117 209 R HA -0.194 4.146 4.340 0.001 0.000 0.243 209 R C 2.039 178.210 176.300 -0.214 0.000 1.143 209 R CA 1.739 57.742 56.100 -0.160 0.000 0.968 209 R CB -1.250 29.017 30.300 -0.055 0.000 0.863 209 R HN 0.505 nan 8.270 nan 0.000 0.444 210 E N -0.632 119.462 120.200 -0.176 0.000 2.285 210 E HA -0.073 4.277 4.350 0.001 0.000 0.194 210 E C 1.382 177.871 176.600 -0.184 0.000 0.997 210 E CA 1.520 57.836 56.400 -0.140 0.000 0.845 210 E CB 0.228 29.878 29.700 -0.084 0.000 0.782 210 E HN 0.555 nan 8.360 nan 0.000 0.491 211 T N -2.675 111.704 114.554 -0.292 0.000 3.085 211 T HA 0.125 4.475 4.350 0.001 0.000 0.241 211 T C 0.817 175.280 174.700 -0.395 0.000 0.988 211 T CA -0.247 61.684 62.100 -0.281 0.000 1.117 211 T CB 0.201 68.953 68.868 -0.192 0.000 0.978 211 T HN -0.151 nan 8.240 nan 0.000 0.454 212 V N 3.158 122.629 119.914 -0.738 0.000 2.275 212 V HA 0.409 4.529 4.120 0.001 0.000 0.272 212 V C 0.707 176.401 176.094 -0.667 0.000 1.028 212 V CA -0.754 61.097 62.300 -0.748 0.000 0.810 212 V CB 1.176 32.300 31.823 -1.164 0.000 1.043 212 V HN 0.273 nan 8.190 nan 0.000 0.453 213 K N 2.394 122.587 120.400 -0.345 0.000 2.365 213 K HA 0.012 4.332 4.320 0.001 0.000 0.197 213 K C 0.984 177.498 176.600 -0.144 0.000 1.042 213 K CA 0.673 56.822 56.287 -0.230 0.000 0.987 213 K CB 0.271 32.684 32.500 -0.145 0.000 0.779 213 K HN 0.844 nan 8.250 nan 0.000 0.484 214 D N -0.387 119.941 120.400 -0.120 0.000 2.424 214 D HA 0.078 4.718 4.640 0.001 0.000 0.220 214 D C 0.631 176.942 176.300 0.018 0.000 1.150 214 D CA -0.278 53.702 54.000 -0.033 0.000 0.831 214 D CB -0.006 40.786 40.800 -0.013 0.000 0.981 214 D HN -0.055 nan 8.370 nan 0.000 0.500 215 G N -0.254 108.548 108.800 0.003 0.000 2.521 215 G HA2 0.555 4.516 3.960 0.001 0.000 0.323 215 G HA3 0.555 4.516 3.960 0.001 0.000 0.323 215 G C -0.587 174.556 174.900 0.405 0.000 1.211 215 G CA -0.821 44.422 45.100 0.237 0.000 0.979 215 G HN -0.023 nan 8.290 nan 0.000 0.490 216 K N -0.240 120.422 120.400 0.437 0.000 2.324 216 K HA 0.561 4.882 4.320 0.001 0.000 0.253 216 K C -1.398 175.296 176.600 0.156 0.000 0.932 216 K CA -0.588 55.893 56.287 0.323 0.000 0.799 216 K CB 2.837 35.500 32.500 0.271 0.000 1.154 216 K HN 0.382 nan 8.250 nan 0.000 0.425 217 I N 0.893 121.390 120.570 -0.122 0.000 2.619 217 I HA 0.586 4.756 4.170 0.001 0.000 0.292 217 I C -0.709 175.034 176.117 -0.624 0.000 1.100 217 I CA -0.264 60.732 61.300 -0.508 0.000 1.043 217 I CB 1.985 39.181 38.000 -1.339 0.000 1.239 217 I HN 0.794 nan 8.210 nan 0.000 0.420 218 G N 6.346 114.557 108.800 -0.981 0.000 2.911 218 G HA2 0.673 4.634 3.960 0.001 0.000 0.299 218 G HA3 0.673 4.634 3.960 0.001 0.000 0.299 218 G C -2.025 172.485 174.900 -0.651 0.000 1.283 218 G CA -0.594 43.720 45.100 -1.310 0.000 0.805 218 G HN 0.673 nan 8.290 nan 0.000 0.548 219 I N -0.742 119.472 120.570 -0.593 0.000 2.827 219 I HA 0.606 4.777 4.170 0.001 0.000 0.298 219 I C -1.403 174.292 176.117 -0.703 0.000 1.235 219 I CA -0.918 60.053 61.300 -0.548 0.000 1.021 219 I CB 2.316 39.910 38.000 -0.677 0.000 1.259 219 I HN 0.348 nan 8.210 nan 0.000 0.427 220 V N 6.846 126.346 119.914 -0.690 0.000 2.417 220 V HA 0.509 4.629 4.120 0.001 0.000 0.291 220 V C -0.915 174.753 176.094 -0.711 0.000 1.024 220 V CA -0.301 61.671 62.300 -0.546 0.000 0.861 220 V CB 1.408 33.087 31.823 -0.240 0.000 0.985 220 V HN 0.422 nan 8.190 nan 0.000 0.436 221 F N 3.947 123.894 119.950 -0.006 0.000 2.495 221 F HA 0.487 5.015 4.527 0.001 0.000 0.327 221 F C 0.606 176.456 175.800 0.082 0.000 1.103 221 F CA -1.279 56.728 58.000 0.012 0.000 0.949 221 F CB 1.344 40.404 39.000 0.100 0.000 1.142 221 F HN 0.564 nan 8.300 nan 0.000 0.457 222 N N 2.652 121.499 118.700 0.246 0.000 2.482 222 N HA 0.218 4.959 4.740 0.001 0.000 0.260 222 N C -1.149 174.471 175.510 0.183 0.000 1.236 222 N CA -0.193 52.965 53.050 0.180 0.000 0.938 222 N CB 0.890 39.426 38.487 0.082 0.000 1.128 222 N HN 0.640 nan 8.380 nan 0.000 0.448 223 N N -0.758 118.064 118.700 0.203 0.000 2.324 223 N HA 0.378 5.118 4.740 0.001 0.000 0.285 223 N C -0.985 174.633 175.510 0.180 0.000 1.076 223 N CA -0.681 52.522 53.050 0.255 0.000 0.864 223 N CB 2.298 41.061 38.487 0.460 0.000 1.632 223 N HN 0.757 nan 8.380 nan 0.000 0.478 224 G N 0.048 108.862 108.800 0.023 0.000 2.473 224 G HA2 0.399 4.360 3.960 0.001 0.000 0.321 224 G HA3 0.399 4.360 3.960 0.001 0.000 0.321 224 G C -1.707 172.992 174.900 -0.335 0.000 1.200 224 G CA -0.265 44.675 45.100 -0.266 0.000 0.963 224 G HN 0.429 nan 8.290 nan 0.000 0.483 225 Y N 1.881 121.992 120.300 -0.315 0.000 2.518 225 Y HA 0.586 5.136 4.550 0.001 0.000 0.344 225 Y C -1.030 174.534 175.900 -0.559 0.000 0.982 225 Y CA -2.338 55.564 58.100 -0.330 0.000 1.234 225 Y CB -0.176 38.267 38.460 -0.028 0.000 1.114 225 Y HN 0.241 nan 8.280 nan 0.000 0.515 226 F N 4.154 123.908 119.950 -0.325 0.000 2.404 226 F HA 0.434 4.961 4.527 0.001 0.000 0.345 226 F C 0.217 175.688 175.800 -0.549 0.000 1.110 226 F CA -0.492 57.302 58.000 -0.344 0.000 1.130 226 F CB 0.912 39.834 39.000 -0.129 0.000 1.129 226 F HN 0.361 nan 8.300 nan 0.000 0.500 227 E N 4.325 124.361 120.200 -0.273 0.000 2.248 227 E HA 0.331 4.681 4.350 0.001 0.000 0.267 227 E C -2.702 173.853 176.600 -0.076 0.000 0.877 227 E CA -2.407 53.826 56.400 -0.278 0.000 0.759 227 E CB 2.364 31.831 29.700 -0.388 0.000 1.182 227 E HN 0.203 nan 8.360 nan 0.000 0.418 228 P HA 0.055 nan 4.420 nan 0.000 0.281 228 P C 0.048 177.364 177.300 0.025 0.000 1.252 228 P CA 0.019 63.133 63.100 0.023 0.000 0.778 228 P CB 1.351 33.069 31.700 0.030 0.000 0.895 229 A N 3.288 126.138 122.820 0.051 0.000 2.076 229 A HA -0.022 4.298 4.320 0.001 0.000 0.220 229 A C 1.092 178.701 177.584 0.043 0.000 1.160 229 A CA 1.757 53.823 52.037 0.049 0.000 0.653 229 A CB -0.681 18.359 19.000 0.067 0.000 0.801 229 A HN 0.758 nan 8.150 nan 0.000 0.455 230 S N -4.473 111.253 115.700 0.044 0.000 2.752 230 S HA 0.582 5.053 4.470 0.001 0.000 0.284 230 S C 0.390 175.011 174.600 0.035 0.000 1.189 230 S CA 0.448 58.671 58.200 0.038 0.000 0.835 230 S CB 0.904 64.128 63.200 0.040 0.000 1.192 230 S HN 0.684 nan 8.310 nan 0.000 0.506 231 E N -0.085 120.133 120.200 0.030 0.000 2.482 231 E HA 0.181 4.532 4.350 0.001 0.000 0.196 231 E C 0.449 177.062 176.600 0.021 0.000 1.047 231 E CA 0.287 56.703 56.400 0.027 0.000 0.869 231 E CB -0.523 nan 29.700 nan 0.000 0.836 231 E HN 0.568 nan 8.360 nan 0.000 0.520 232 K N -0.024 120.389 120.400 0.021 0.000 2.511 232 K HA 0.205 4.526 4.320 0.001 0.000 0.280 232 K C 1.613 178.210 176.600 -0.005 0.000 1.008 232 K CA 0.470 56.761 56.287 0.008 0.000 1.050 232 K CB 0.693 33.202 32.500 0.015 0.000 0.889 232 K HN 0.442 nan 8.250 nan 0.000 0.484 233 E N 3.659 123.843 120.200 -0.026 0.000 2.187 233 E HA -0.251 4.100 4.350 0.001 0.000 0.199 233 E C 1.545 178.106 176.600 -0.065 0.000 1.004 233 E CA 2.073 58.449 56.400 -0.040 0.000 0.813 233 E CB -0.596 29.070 29.700 -0.056 0.000 0.736 233 E HN 0.796 nan 8.360 nan 0.000 0.468 234 E N -0.357 119.778 120.200 -0.108 0.000 2.318 234 E HA -0.086 4.265 4.350 0.001 0.000 0.193 234 E C 0.885 177.477 176.600 -0.012 0.000 0.998 234 E CA 1.044 57.327 56.400 -0.196 0.000 0.859 234 E CB 0.069 29.457 29.700 -0.519 0.000 0.812 234 E HN 0.460 nan 8.360 nan 0.000 0.492 235 D N 1.325 121.750 120.400 0.041 0.000 2.162 235 D HA 0.008 4.648 4.640 0.001 0.000 0.205 235 D C 2.060 178.404 176.300 0.073 0.000 0.964 235 D CA 0.471 54.526 54.000 0.092 0.000 0.847 235 D CB 0.052 40.903 40.800 0.084 0.000 0.988 235 D HN 0.139 nan 8.370 nan 0.000 0.480 236 I N 0.685 121.283 120.570 0.047 0.000 2.361 236 I HA -0.162 4.009 4.170 0.001 0.000 0.251 236 I C 2.367 178.524 176.117 0.065 0.000 1.133 236 I CA 0.794 62.126 61.300 0.053 0.000 1.413 236 I CB -0.636 37.390 38.000 0.043 0.000 1.073 236 I HN -0.008 nan 8.210 nan 0.000 0.424 237 R N 0.996 121.524 120.500 0.046 0.000 2.066 237 R HA -0.109 4.231 4.340 0.001 0.000 0.232 237 R C 2.472 178.838 176.300 0.110 0.000 1.131 237 R CA 1.596 57.730 56.100 0.057 0.000 0.955 237 R CB -0.181 30.116 30.300 -0.005 0.000 0.851 237 R HN 0.318 nan 8.270 nan 0.000 0.432 238 A N 0.107 122.998 122.820 0.117 0.000 1.865 238 A HA -0.169 4.152 4.320 0.001 0.000 0.217 238 A C 2.264 179.937 177.584 0.148 0.000 1.191 238 A CA 1.879 54.010 52.037 0.157 0.000 0.623 238 A CB -0.966 18.138 19.000 0.173 0.000 0.826 238 A HN 0.218 nan 8.150 nan 0.000 0.444 239 V N 0.156 120.137 119.914 0.112 0.000 2.317 239 V HA -0.332 3.788 4.120 0.001 0.000 0.251 239 V C 2.722 178.882 176.094 0.111 0.000 1.065 239 V CA 2.606 64.960 62.300 0.090 0.000 1.049 239 V CB -0.810 31.060 31.823 0.077 0.000 0.651 239 V HN 0.703 nan 8.190 nan 0.000 0.450 240 R N -0.992 119.593 120.500 0.143 0.000 2.096 240 R HA -0.194 4.146 4.340 0.001 0.000 0.235 240 R C 2.249 178.655 176.300 0.177 0.000 1.127 240 R CA 1.966 58.173 56.100 0.179 0.000 0.968 240 R CB -0.390 30.003 30.300 0.155 0.000 0.861 240 R HN 0.493 nan 8.270 nan 0.000 0.440 241 F N 0.782 120.744 119.950 0.020 0.000 2.102 241 F HA -0.201 4.327 4.527 0.001 0.000 0.298 241 F C 2.000 177.771 175.800 -0.048 0.000 1.105 241 F CA 1.475 59.462 58.000 -0.021 0.000 1.239 241 F CB -0.117 38.837 39.000 -0.075 0.000 0.991 241 F HN -0.009 nan 8.300 nan 0.000 0.474 242 M N -0.342 119.135 119.600 -0.204 0.000 2.159 242 M HA -0.197 4.283 4.480 0.001 0.000 0.263 242 M C 2.270 178.251 176.300 -0.532 0.000 1.063 242 M CA 1.839 56.785 55.300 -0.591 0.000 1.110 242 M CB -1.875 30.082 32.600 -1.072 0.000 1.374 242 M HN 0.368 nan 8.290 nan 0.000 0.411 243 H N 0.339 119.261 119.070 -0.246 0.000 2.321 243 H HA -0.101 4.456 4.556 0.001 0.000 0.300 243 H C 1.993 177.246 175.328 -0.124 0.000 1.087 243 H CA 2.117 58.168 56.048 0.004 0.000 1.319 243 H CB 0.016 29.892 29.762 0.191 0.000 1.379 243 H HN 0.450 nan 8.280 nan 0.000 0.501 244 Q N -1.485 118.178 119.800 -0.227 0.000 2.172 244 Q HA -0.085 4.255 4.340 0.001 0.000 0.200 244 Q C 1.689 177.531 176.000 -0.263 0.000 0.964 244 Q CA 1.171 56.813 55.803 -0.267 0.000 0.855 244 Q CB -0.018 28.671 28.738 -0.082 0.000 0.918 244 Q HN 0.441 nan 8.270 nan 0.000 0.444 245 F N 0.914 120.525 119.950 -0.565 0.000 2.220 245 F HA 0.033 4.561 4.527 0.001 0.000 0.290 245 F C 1.849 177.434 175.800 -0.358 0.000 1.080 245 F CA 0.930 58.640 58.000 -0.484 0.000 1.318 245 F CB -0.093 38.376 39.000 -0.886 0.000 1.063 245 F HN -0.035 nan 8.300 nan 0.000 0.498 246 N N 0.265 118.564 118.700 -0.668 0.000 2.415 246 N HA -0.039 4.702 4.740 0.001 0.000 0.176 246 N C -0.205 174.906 175.510 -0.665 0.000 1.042 246 N CA 0.285 52.695 53.050 -1.066 0.000 0.902 246 N CB -0.064 38.021 38.487 -0.670 0.000 0.986 246 N HN 0.243 nan 8.380 nan 0.000 0.447 247 N N -0.418 118.049 118.700 -0.388 0.000 2.563 247 N HA 0.072 4.812 4.740 0.001 0.000 0.288 247 N C 0.954 176.237 175.510 -0.378 0.000 1.246 247 N CA -0.510 52.385 53.050 -0.259 0.000 0.946 247 N CB -0.138 38.232 38.487 -0.196 0.000 1.213 247 N HN 0.049 nan 8.380 nan 0.000 0.578 248 Y N -1.034 119.151 120.300 -0.190 0.000 2.271 248 Y HA -0.033 4.517 4.550 0.001 0.000 0.284 248 Y C -1.256 174.330 175.900 -0.524 0.000 1.189 248 Y CA 0.935 58.702 58.100 -0.556 0.000 1.229 248 Y CB -2.163 36.072 38.460 -0.374 0.000 0.973 248 Y HN 0.450 nan 8.280 nan 0.000 0.537 249 P HA -0.198 nan 4.420 nan 0.000 0.218 249 P C 1.879 179.022 177.300 -0.262 0.000 1.148 249 P CA 1.433 64.325 63.100 -0.348 0.000 0.822 249 P CB -0.108 31.385 31.700 -0.346 0.000 0.784 250 L N -1.774 119.265 121.223 -0.307 0.000 2.081 250 L HA -0.158 4.183 4.340 0.001 0.000 0.212 250 L C 1.793 178.351 176.870 -0.520 0.000 1.080 250 L CA 2.076 56.715 54.840 -0.334 0.000 0.754 250 L CB -1.013 40.781 42.059 -0.442 0.000 0.893 250 L HN -0.113 nan 8.230 nan 0.000 0.433 251 F N -2.171 117.622 119.950 -0.262 0.000 2.505 251 F HA 0.129 4.657 4.527 0.001 0.000 0.289 251 F C 2.022 177.637 175.800 -0.309 0.000 1.101 251 F CA 0.249 58.105 58.000 -0.240 0.000 1.446 251 F CB -0.230 38.670 39.000 -0.166 0.000 1.123 251 F HN -0.111 nan 8.300 nan 0.000 0.564 252 L N -0.343 120.687 121.223 -0.323 0.000 2.131 252 L HA -0.116 4.224 4.340 0.001 0.000 0.206 252 L C 2.038 178.698 176.870 -0.352 0.000 1.087 252 L CA 0.977 55.568 54.840 -0.414 0.000 0.767 252 L CB -0.584 41.057 42.059 -0.696 0.000 0.917 252 L HN 0.139 nan 8.230 nan 0.000 0.441 253 N N 0.030 118.594 118.700 -0.227 0.000 2.069 253 N HA -0.156 4.584 4.740 0.001 0.000 0.191 253 N C -0.963 174.547 175.510 -0.000 0.000 1.031 253 N CA 1.680 54.791 53.050 0.101 0.000 0.852 253 N CB -0.675 37.902 38.487 0.150 0.000 1.018 253 N HN 0.067 nan 8.380 nan 0.000 0.423 254 P HA -0.104 nan 4.420 nan 0.000 0.215 254 P C 1.226 178.468 177.300 -0.097 0.000 1.157 254 P CA 1.136 64.114 63.100 -0.204 0.000 0.868 254 P CB 0.078 31.548 31.700 -0.384 0.000 0.788 255 I N -2.938 117.561 120.570 -0.118 0.000 2.202 255 I HA -0.247 3.923 4.170 0.001 0.000 0.242 255 I C 2.060 178.069 176.117 -0.180 0.000 1.091 255 I CA 1.593 62.792 61.300 -0.169 0.000 1.368 255 I CB -0.373 37.468 38.000 -0.265 0.000 1.058 255 I HN -0.056 nan 8.210 nan 0.000 0.410 256 Y N 0.091 120.411 120.300 0.033 0.000 2.389 256 Y HA 0.084 4.634 4.550 0.001 0.000 0.292 256 Y C 2.280 178.249 175.900 0.115 0.000 1.117 256 Y CA 0.669 58.832 58.100 0.106 0.000 1.195 256 Y CB -0.001 38.589 38.460 0.217 0.000 1.076 256 Y HN -0.054 nan 8.280 nan 0.000 0.548 257 R N -0.999 119.659 120.500 0.263 0.000 2.365 257 R HA 0.273 4.614 4.340 0.001 0.000 0.223 257 R C 1.194 177.556 176.300 0.104 0.000 0.899 257 R CA 0.644 56.856 56.100 0.186 0.000 1.059 257 R CB 0.530 30.957 30.300 0.212 0.000 1.086 257 R HN 0.352 nan 8.270 nan 0.000 0.522 258 G N 1.704 110.542 108.800 0.064 0.000 2.143 258 G HA2 -0.253 3.707 3.960 0.001 0.000 0.249 258 G HA3 -0.253 3.707 3.960 0.001 0.000 0.249 258 G C -0.375 174.540 174.900 0.026 0.000 0.981 258 G CA 0.532 45.650 45.100 0.031 0.000 0.665 258 G HN 0.396 nan 8.290 nan 0.000 0.528 259 D N -1.940 118.468 120.400 0.013 0.000 2.622 259 D HA 0.502 5.142 4.640 0.001 0.000 0.255 259 D C -0.193 176.077 176.300 -0.050 0.000 1.246 259 D CA -0.675 53.348 54.000 0.039 0.000 0.795 259 D CB 0.579 41.458 40.800 0.132 0.000 1.369 259 D HN -0.032 nan 8.370 nan 0.000 0.425 260 Y N 0.459 120.823 120.300 0.107 0.000 2.426 260 Y HA 0.273 4.823 4.550 0.001 0.000 0.344 260 Y C -1.390 174.536 175.900 0.042 0.000 1.256 260 Y CA -0.836 57.274 58.100 0.016 0.000 1.451 260 Y CB -0.138 38.278 38.460 -0.073 0.000 1.342 260 Y HN 0.112 nan 8.280 nan 0.000 0.600 261 P HA -0.051 nan 4.420 nan 0.000 0.269 261 P C 0.654 178.036 177.300 0.136 0.000 1.209 261 P CA 0.012 63.198 63.100 0.143 0.000 0.776 261 P CB 0.653 32.412 31.700 0.099 0.000 0.876 262 E N 2.190 122.460 120.200 0.117 0.000 2.049 262 E HA -0.191 4.160 4.350 0.001 0.000 0.198 262 E C 1.456 178.118 176.600 0.105 0.000 1.007 262 E CA 1.542 58.002 56.400 0.101 0.000 0.809 262 E CB -0.280 29.470 29.700 0.084 0.000 0.749 262 E HN 0.363 nan 8.360 nan 0.000 0.450 263 L N 0.562 121.864 121.223 0.131 0.000 2.141 263 L HA -0.146 4.194 4.340 0.001 0.000 0.209 263 L C 2.663 179.682 176.870 0.248 0.000 1.094 263 L CA 0.498 55.451 54.840 0.188 0.000 0.763 263 L CB -0.242 41.967 42.059 0.249 0.000 0.908 263 L HN 0.098 nan 8.230 nan 0.000 0.437 264 V N 0.212 120.235 119.914 0.181 0.000 2.343 264 V HA -0.295 3.826 4.120 0.001 0.000 0.247 264 V C 2.388 178.520 176.094 0.063 0.000 1.051 264 V CA 1.613 64.012 62.300 0.165 0.000 1.036 264 V CB -0.295 31.600 31.823 0.120 0.000 0.654 264 V HN 0.359 nan 8.190 nan 0.000 0.451 265 L N -0.486 120.748 121.223 0.018 0.000 2.131 265 L HA -0.168 4.173 4.340 0.001 0.000 0.210 265 L C 2.547 179.363 176.870 -0.090 0.000 1.092 265 L CA 1.458 56.252 54.840 -0.076 0.000 0.759 265 L CB -0.535 41.529 42.059 0.008 0.000 0.903 265 L HN 0.406 nan 8.230 nan 0.000 0.435 266 E N -0.658 119.541 120.200 -0.002 0.000 2.204 266 E HA -0.221 4.129 4.350 0.001 0.000 0.194 266 E C 1.842 178.423 176.600 -0.031 0.000 0.989 266 E CA 1.054 57.443 56.400 -0.019 0.000 0.824 266 E CB 0.045 29.760 29.700 0.024 0.000 0.756 266 E HN 0.431 nan 8.360 nan 0.000 0.477 267 F N -0.028 119.832 119.950 -0.150 0.000 2.530 267 F HA 0.222 4.750 4.527 0.001 0.000 0.292 267 F C 1.620 177.219 175.800 -0.336 0.000 1.109 267 F CA 0.959 58.843 58.000 -0.194 0.000 1.450 267 F CB 0.401 39.361 39.000 -0.067 0.000 1.114 267 F HN -0.120 nan 8.300 nan 0.000 0.560 268 A N -0.928 121.547 122.820 -0.575 0.000 2.551 268 A HA 0.232 4.553 4.320 0.001 0.000 0.252 268 A C 1.852 178.872 177.584 -0.941 0.000 1.199 268 A CA 0.359 51.786 52.037 -1.016 0.000 0.972 268 A CB -0.567 17.671 19.000 -1.270 0.000 1.153 268 A HN 0.088 nan 8.150 nan 0.000 0.559 269 R N 1.039 121.153 120.500 -0.642 0.000 2.119 269 R HA -0.211 4.129 4.340 0.001 0.000 0.246 269 R C 1.645 177.632 176.300 -0.522 0.000 1.146 269 R CA 2.537 58.353 56.100 -0.472 0.000 0.962 269 R CB -1.039 29.096 30.300 -0.275 0.000 0.863 269 R HN 0.838 nan 8.270 nan 0.000 0.442 270 E N -1.229 118.517 120.200 -0.758 0.000 2.204 270 E HA -0.165 4.186 4.350 0.001 0.000 0.195 270 E C 1.732 177.979 176.600 -0.588 0.000 0.990 270 E CA 1.578 57.573 56.400 -0.675 0.000 0.821 270 E CB -0.161 29.000 29.700 -0.899 0.000 0.750 270 E HN 0.661 nan 8.360 nan 0.000 0.477 271 Y N 0.390 120.324 120.300 -0.610 0.000 2.509 271 Y HA 0.204 4.754 4.550 0.001 0.000 0.270 271 Y C 1.071 176.783 175.900 -0.314 0.000 1.103 271 Y CA -0.243 57.465 58.100 -0.654 0.000 1.278 271 Y CB -0.085 37.885 38.460 -0.817 0.000 1.087 271 Y HN -0.108 nan 8.280 nan 0.000 0.542 272 L N 2.296 123.352 121.223 -0.279 0.000 2.452 272 L HA 0.183 4.524 4.340 0.001 0.000 0.267 272 L C -2.027 174.791 176.870 -0.087 0.000 1.188 272 L CA -1.959 52.735 54.840 -0.243 0.000 0.821 272 L CB 0.018 41.752 42.059 -0.540 0.000 1.102 272 L HN -0.119 nan 8.230 nan 0.000 0.470 273 P HA -0.050 nan 4.420 nan 0.000 0.266 273 P C 0.615 177.955 177.300 0.067 0.000 1.195 273 P CA 0.091 63.203 63.100 0.020 0.000 0.768 273 P CB 0.721 32.428 31.700 0.012 0.000 0.838 274 E N 2.236 122.465 120.200 0.049 0.000 2.114 274 E HA -0.261 4.089 4.350 0.001 0.000 0.199 274 E C 1.347 177.960 176.600 0.021 0.000 1.008 274 E CA 1.899 58.321 56.400 0.037 0.000 0.810 274 E CB -0.865 28.843 29.700 0.013 0.000 0.739 274 E HN 0.543 nan 8.360 nan 0.000 0.456 275 N N -1.092 117.615 118.700 0.012 0.000 2.383 275 N HA -0.011 4.729 4.740 0.001 0.000 0.192 275 N C 1.361 176.839 175.510 -0.052 0.000 1.141 275 N CA 0.469 53.502 53.050 -0.029 0.000 0.851 275 N CB -0.001 38.491 38.487 0.008 0.000 0.976 275 N HN 0.573 nan 8.380 nan 0.000 0.465 276 Y N 0.209 120.465 120.300 -0.074 0.000 2.193 276 Y HA -0.237 4.314 4.550 0.001 0.000 0.285 276 Y C 2.305 178.247 175.900 0.071 0.000 1.166 276 Y CA 1.737 59.748 58.100 -0.148 0.000 1.181 276 Y CB -0.936 37.292 38.460 -0.388 0.000 0.976 276 Y HN -0.128 nan 8.280 nan 0.000 0.520 277 K N 0.857 120.819 120.400 -0.730 0.000 2.281 277 K HA -0.168 4.152 4.320 0.001 0.000 0.203 277 K C 1.446 177.984 176.600 -0.103 0.000 1.046 277 K CA 1.777 57.810 56.287 -0.424 0.000 0.938 277 K CB -1.301 30.875 32.500 -0.541 0.000 0.737 277 K HN 0.614 nan 8.250 nan 0.000 0.458 278 D N 1.205 121.569 120.400 -0.060 0.000 2.265 278 D HA -0.111 4.529 4.640 0.001 0.000 0.208 278 D C 1.006 177.332 176.300 0.044 0.000 0.977 278 D CA 1.159 55.156 54.000 -0.004 0.000 0.871 278 D CB 0.025 40.829 40.800 0.006 0.000 0.925 278 D HN 0.538 nan 8.370 nan 0.000 0.485 279 D N -0.564 119.906 120.400 0.116 0.000 2.333 279 D HA -0.004 4.636 4.640 0.001 0.000 0.208 279 D C 2.006 178.354 176.300 0.080 0.000 0.984 279 D CA 0.067 54.137 54.000 0.117 0.000 0.873 279 D CB 0.075 40.993 40.800 0.198 0.000 0.935 279 D HN 0.135 nan 8.370 nan 0.000 0.521 280 M N 0.948 120.603 119.600 0.092 0.000 2.202 280 M HA -0.126 4.354 4.480 0.001 0.000 0.262 280 M C 2.286 178.599 176.300 0.022 0.000 1.063 280 M CA 1.034 56.367 55.300 0.055 0.000 1.097 280 M CB -0.938 31.693 32.600 0.052 0.000 1.382 280 M HN 0.018 nan 8.290 nan 0.000 0.413 281 S N -0.200 115.511 115.700 0.018 0.000 2.387 281 S HA -0.113 4.357 4.470 0.001 0.000 0.226 281 S C 1.645 176.249 174.600 0.007 0.000 1.026 281 S CA 1.040 59.247 58.200 0.012 0.000 0.972 281 S CB -0.505 62.701 63.200 0.009 0.000 0.814 281 S HN 0.557 nan 8.310 nan 0.000 0.477 282 E N 1.071 121.275 120.200 0.007 0.000 2.152 282 E HA 0.071 4.422 4.350 0.001 0.000 0.192 282 E C 1.889 178.486 176.600 -0.006 0.000 0.983 282 E CA 0.973 57.372 56.400 -0.001 0.000 0.818 282 E CB -0.335 29.365 29.700 -0.001 0.000 0.758 282 E HN 0.562 nan 8.360 nan 0.000 0.467 283 I N 1.328 121.897 120.570 -0.002 0.000 2.493 283 I HA -0.239 3.931 4.170 0.001 0.000 0.254 283 I C 1.916 178.035 176.117 0.003 0.000 1.160 283 I CA 0.998 62.302 61.300 0.006 0.000 1.445 283 I CB -0.084 37.908 38.000 -0.013 0.000 1.086 283 I HN 0.070 nan 8.210 nan 0.000 0.433 284 Q N 0.764 120.557 119.800 -0.011 0.000 2.515 284 Q HA -0.100 4.241 4.340 0.001 0.000 0.214 284 Q C 0.389 176.371 176.000 -0.031 0.000 0.971 284 Q CA -0.013 55.775 55.803 -0.025 0.000 0.952 284 Q CB -0.208 28.529 28.738 -0.002 0.000 0.999 284 Q HN 0.308 nan 8.270 nan 0.000 0.524 285 E N 2.458 122.640 120.200 -0.029 0.000 2.608 285 E HA -0.122 4.228 4.350 0.001 0.000 0.259 285 E C -0.375 176.194 176.600 -0.053 0.000 0.951 285 E CA 0.397 56.771 56.400 -0.043 0.000 0.945 285 E CB 0.416 30.073 29.700 -0.071 0.000 0.916 285 E HN -0.048 nan 8.360 nan 0.000 0.477 286 K N 5.156 125.536 120.400 -0.034 0.000 2.401 286 K HA 0.128 4.448 4.320 0.001 0.000 0.278 286 K C 0.072 176.650 176.600 -0.037 0.000 1.018 286 K CA -0.254 56.018 56.287 -0.025 0.000 0.981 286 K CB 0.177 32.691 32.500 0.023 0.000 0.933 286 K HN 0.638 nan 8.250 nan 0.000 0.477 287 I N 0.529 121.072 120.570 -0.045 0.000 2.750 287 I HA 0.278 4.449 4.170 0.001 0.000 0.308 287 I C 0.009 176.142 176.117 0.027 0.000 1.016 287 I CA -0.857 60.413 61.300 -0.050 0.000 1.098 287 I CB 1.852 39.800 38.000 -0.087 0.000 1.279 287 I HN 0.561 nan 8.210 nan 0.000 0.454 288 D N 3.066 123.476 120.400 0.017 0.000 2.216 288 D HA 0.126 4.766 4.640 0.001 0.000 0.208 288 D C -0.018 176.476 176.300 0.324 0.000 0.960 288 D CA 1.564 55.671 54.000 0.178 0.000 0.861 288 D CB 0.272 41.220 40.800 0.247 0.000 0.985 288 D HN 0.571 nan 8.370 nan 0.000 0.493 289 F N -1.262 118.774 119.950 0.143 0.000 2.645 289 F HA 0.579 5.107 4.527 0.001 0.000 0.310 289 F C -1.231 174.674 175.800 0.176 0.000 1.102 289 F CA -1.412 56.708 58.000 0.200 0.000 0.952 289 F CB 1.207 40.411 39.000 0.340 0.000 1.326 289 F HN -0.421 nan 8.300 nan 0.000 0.456 290 V N 1.646 121.775 119.914 0.358 0.000 2.435 290 V HA 0.751 4.871 4.120 0.001 0.000 0.290 290 V C 0.304 176.637 176.094 0.398 0.000 1.030 290 V CA -0.423 62.023 62.300 0.244 0.000 0.881 290 V CB 1.406 33.381 31.823 0.253 0.000 0.983 290 V HN 1.116 nan 8.190 nan 0.000 0.445 291 G N 4.790 113.739 108.800 0.248 0.000 2.343 291 G HA2 0.670 4.630 3.960 0.001 0.000 0.319 291 G HA3 0.670 4.630 3.960 0.001 0.000 0.319 291 G C -0.991 174.022 174.900 0.188 0.000 1.126 291 G CA -0.487 44.776 45.100 0.272 0.000 0.889 291 G HN 0.582 nan 8.290 nan 0.000 0.457 292 L N 2.463 123.826 121.223 0.233 0.000 2.341 292 L HA 0.408 4.748 4.340 0.001 0.000 0.278 292 L C -0.638 176.368 176.870 0.227 0.000 1.005 292 L CA -1.211 53.783 54.840 0.256 0.000 0.818 292 L CB 1.948 44.166 42.059 0.266 0.000 1.259 292 L HN 0.356 nan 8.230 nan 0.000 0.418 293 N N 2.049 120.887 118.700 0.230 0.000 2.487 293 N HA 0.501 5.242 4.740 0.001 0.000 0.292 293 N C -1.364 174.319 175.510 0.288 0.000 1.108 293 N CA -0.297 52.877 53.050 0.208 0.000 0.956 293 N CB 1.807 40.432 38.487 0.230 0.000 1.176 293 N HN 0.462 nan 8.380 nan 0.000 0.484 294 Y N 0.917 121.220 120.300 0.006 0.000 2.436 294 Y HA 0.313 4.863 4.550 0.001 0.000 0.327 294 Y C -1.161 174.665 175.900 -0.123 0.000 1.138 294 Y CA -0.533 57.611 58.100 0.074 0.000 1.042 294 Y CB 0.695 39.236 38.460 0.135 0.000 1.302 294 Y HN 0.574 nan 8.280 nan 0.000 0.439 295 Y N 1.999 121.902 120.300 -0.662 0.000 2.550 295 Y HA 0.435 4.986 4.550 0.001 0.000 0.275 295 Y C 0.691 176.340 175.900 -0.418 0.000 1.148 295 Y CA 0.513 58.435 58.100 -0.297 0.000 1.200 295 Y CB 1.271 39.652 38.460 -0.132 0.000 1.299 295 Y HN 0.498 nan 8.280 nan 0.000 0.509 296 S N -0.886 114.377 115.700 -0.728 0.000 2.588 296 S HA 0.709 5.179 4.470 0.001 0.000 0.269 296 S C -0.781 173.563 174.600 -0.427 0.000 1.157 296 S CA -0.250 57.724 58.200 -0.377 0.000 0.824 296 S CB 1.171 64.195 63.200 -0.293 0.000 1.126 296 S HN 0.325 nan 8.310 nan 0.000 0.464 297 G N 1.299 109.908 108.800 -0.319 0.000 2.454 297 G HA2 0.719 4.680 3.960 0.001 0.000 0.329 297 G HA3 0.719 4.680 3.960 0.001 0.000 0.329 297 G C -1.590 172.845 174.900 -0.775 0.000 1.177 297 G CA -0.404 44.507 45.100 -0.314 0.000 0.951 297 G HN 0.709 nan 8.290 nan 0.000 0.485 298 H N 0.317 119.147 119.070 -0.400 0.000 2.856 298 H HA 0.250 4.806 4.556 0.001 0.000 0.355 298 H C -1.259 173.911 175.328 -0.263 0.000 1.079 298 H CA -0.621 55.167 56.048 -0.433 0.000 1.240 298 H CB 2.513 31.793 29.762 -0.804 0.000 1.701 298 H HN 0.363 nan 8.280 nan 0.000 0.527 299 L N 3.621 124.810 121.223 -0.056 0.000 2.281 299 L HA 0.286 4.627 4.340 0.001 0.000 0.285 299 L C -0.722 176.223 176.870 0.126 0.000 1.074 299 L CA -0.224 54.623 54.840 0.011 0.000 0.817 299 L CB 0.625 42.696 42.059 0.020 0.000 1.168 299 L HN 0.343 nan 8.230 nan 0.000 0.434 300 V N 5.559 125.563 119.914 0.151 0.000 2.628 300 V HA 0.621 4.742 4.120 0.001 0.000 0.306 300 V C -0.468 175.724 176.094 0.163 0.000 1.045 300 V CA -0.750 61.694 62.300 0.239 0.000 0.905 300 V CB 2.064 34.048 31.823 0.269 0.000 0.997 300 V HN 0.853 nan 8.190 nan 0.000 0.436 301 K N 3.308 123.803 120.400 0.158 0.000 2.426 301 K HA 0.631 4.951 4.320 0.001 0.000 0.251 301 K C -0.848 175.828 176.600 0.125 0.000 0.941 301 K CA -0.751 55.615 56.287 0.132 0.000 0.808 301 K CB 2.064 34.626 32.500 0.104 0.000 1.265 301 K HN 0.366 nan 8.250 nan 0.000 0.432 302 F N 2.446 122.403 119.950 0.013 0.000 2.572 302 F HA 0.173 4.700 4.527 0.001 0.000 0.370 302 F C -0.403 175.386 175.800 -0.018 0.000 1.103 302 F CA 0.748 58.738 58.000 -0.017 0.000 1.286 302 F CB 0.697 39.684 39.000 -0.022 0.000 1.105 302 F HN 0.709 nan 8.300 nan 0.000 0.583 303 D N 7.825 127.665 120.400 -0.935 0.000 2.616 303 D HA 0.275 4.915 4.640 0.001 0.000 0.238 303 D C -2.338 173.487 176.300 -0.792 0.000 1.354 303 D CA -1.936 51.674 54.000 -0.650 0.000 0.970 303 D CB 2.225 42.844 40.800 -0.302 0.000 1.369 303 D HN 0.160 nan 8.370 nan 0.000 0.585 304 P HA -0.036 nan 4.420 nan 0.000 0.216 304 P C 0.325 177.488 177.300 -0.229 0.000 1.150 304 P CA 0.942 63.810 63.100 -0.386 0.000 0.837 304 P CB 0.450 32.062 31.700 -0.147 0.000 0.786 305 D N -1.443 118.842 120.400 -0.191 0.000 2.339 305 D HA 0.179 4.820 4.640 0.001 0.000 0.217 305 D C 0.733 176.959 176.300 -0.124 0.000 1.050 305 D CA 0.138 54.064 54.000 -0.122 0.000 0.856 305 D CB -0.271 40.477 40.800 -0.088 0.000 0.922 305 D HN 0.099 nan 8.370 nan 0.000 0.518 306 A N 1.174 123.891 122.820 -0.173 0.000 2.293 306 A HA 0.445 4.766 4.320 0.001 0.000 0.302 306 A C -1.230 176.280 177.584 -0.123 0.000 1.119 306 A CA -1.126 50.820 52.037 -0.152 0.000 0.823 306 A CB 0.846 19.732 19.000 -0.191 0.000 1.097 306 A HN -0.109 nan 8.150 nan 0.000 0.491 307 P HA -0.227 nan 4.420 nan 0.000 0.217 307 P C 0.891 178.189 177.300 -0.004 0.000 1.162 307 P CA 2.594 65.683 63.100 -0.018 0.000 0.901 307 P CB 0.164 31.868 31.700 0.007 0.000 0.793 308 A N -1.787 120.972 122.820 -0.100 0.000 2.500 308 A HA 0.219 4.539 4.320 0.001 0.000 0.267 308 A C 0.501 177.879 177.584 -0.343 0.000 1.290 308 A CA -0.221 51.660 52.037 -0.260 0.000 0.928 308 A CB -0.244 18.475 19.000 -0.468 0.000 1.066 308 A HN 0.021 nan 8.150 nan 0.000 0.516 309 K N -1.236 119.011 120.400 -0.256 0.000 3.230 309 K HA -0.127 4.194 4.320 0.001 0.000 0.285 309 K C -0.488 175.911 176.600 -0.335 0.000 1.196 309 K CA 0.935 57.013 56.287 -0.349 0.000 0.838 309 K CB -2.731 29.619 32.500 -0.249 0.000 1.262 309 K HN 0.385 nan 8.250 nan 0.000 0.492 310 V N 0.860 120.626 119.914 -0.247 0.000 2.709 310 V HA 0.547 4.667 4.120 0.001 0.000 0.308 310 V C 0.109 176.092 176.094 -0.186 0.000 1.062 310 V CA -0.457 61.748 62.300 -0.159 0.000 0.901 310 V CB 2.216 33.996 31.823 -0.072 0.000 1.003 310 V HN 0.376 nan 8.190 nan 0.000 0.425 311 S N 3.457 119.086 115.700 -0.117 0.000 2.549 311 S HA 0.821 5.291 4.470 0.001 0.000 0.280 311 S C -1.119 173.532 174.600 0.085 0.000 1.109 311 S CA -0.635 57.491 58.200 -0.123 0.000 0.905 311 S CB 1.710 64.858 63.200 -0.088 0.000 1.081 311 S HN 0.253 nan 8.310 nan 0.000 0.477 312 F N 1.182 121.156 119.950 0.040 0.000 2.389 312 F HA 0.537 5.065 4.527 0.001 0.000 0.337 312 F C 0.223 176.068 175.800 0.075 0.000 1.112 312 F CA -1.680 56.371 58.000 0.085 0.000 1.192 312 F CB 1.253 40.326 39.000 0.121 0.000 1.185 312 F HN 0.403 nan 8.300 nan 0.000 0.552 313 V N 1.434 121.519 119.914 0.285 0.000 2.326 313 V HA 0.179 4.299 4.120 0.001 0.000 0.281 313 V C -0.337 175.839 176.094 0.136 0.000 1.015 313 V CA -1.039 61.361 62.300 0.166 0.000 0.823 313 V CB 1.146 33.041 31.823 0.119 0.000 1.009 313 V HN 0.684 nan 8.190 nan 0.000 0.436 314 E N 5.991 126.269 120.200 0.130 0.000 2.493 314 E HA 0.186 4.537 4.350 0.001 0.000 0.255 314 E C -0.137 176.507 176.600 0.074 0.000 0.999 314 E CA -0.259 56.205 56.400 0.106 0.000 0.934 314 E CB 0.482 30.246 29.700 0.106 0.000 0.940 314 E HN 0.685 nan 8.360 nan 0.000 0.473 315 R N 1.784 122.319 120.500 0.057 0.000 2.573 315 R HA 0.334 4.675 4.340 0.001 0.000 0.272 315 R C -0.294 176.036 176.300 0.050 0.000 1.009 315 R CA -0.611 55.516 56.100 0.045 0.000 1.059 315 R CB 0.911 31.228 30.300 0.028 0.000 1.112 315 R HN 0.664 nan 8.270 nan 0.000 0.517 316 D N 2.090 122.518 120.400 0.046 0.000 2.558 316 D HA 0.184 4.824 4.640 0.001 0.000 0.221 316 D C -1.156 175.175 176.300 0.051 0.000 1.143 316 D CA -0.073 53.956 54.000 0.048 0.000 1.010 316 D CB -0.004 40.822 40.800 0.043 0.000 1.068 316 D HN 0.045 nan 8.370 nan 0.000 0.511 317 L N 2.976 124.235 121.223 0.060 0.000 2.327 317 L HA 0.575 4.915 4.340 0.001 0.000 0.258 317 L C -2.079 174.844 176.870 0.088 0.000 1.024 317 L CA -2.341 52.541 54.840 0.070 0.000 0.825 317 L CB 1.410 43.510 42.059 0.068 0.000 1.386 317 L HN 0.120 nan 8.230 nan 0.000 0.417 318 P HA 0.215 nan 4.420 nan 0.000 0.265 318 P C -1.211 176.186 177.300 0.162 0.000 1.193 318 P CA 0.038 63.221 63.100 0.137 0.000 0.765 318 P CB 0.388 32.184 31.700 0.159 0.000 0.823 319 K N 0.765 121.257 120.400 0.153 0.000 2.318 319 K HA 0.487 4.807 4.320 0.001 0.000 0.249 319 K C 0.538 177.181 176.600 0.071 0.000 0.942 319 K CA -0.736 55.621 56.287 0.118 0.000 0.808 319 K CB 1.540 34.085 32.500 0.075 0.000 1.189 319 K HN 0.435 nan 8.250 nan 0.000 0.428 320 T N -1.769 112.721 114.554 -0.106 0.000 2.793 320 T HA 0.248 4.598 4.350 0.001 0.000 0.299 320 T C 1.241 175.674 174.700 -0.444 0.000 1.038 320 T CA -0.206 61.564 62.100 -0.550 0.000 0.948 320 T CB 0.807 69.184 68.868 -0.818 0.000 1.231 320 T HN 0.531 nan 8.240 nan 0.000 0.538 321 A N -0.156 122.301 122.820 -0.605 0.000 2.209 321 A HA 0.110 4.431 4.320 0.001 0.000 0.212 321 A C 2.139 179.461 177.584 -0.437 0.000 1.158 321 A CA 0.535 52.347 52.037 -0.375 0.000 0.742 321 A CB -0.855 17.968 19.000 -0.295 0.000 0.790 321 A HN 0.718 nan 8.150 nan 0.000 0.472 322 M N -1.716 117.471 119.600 -0.689 0.000 2.558 322 M HA 0.126 4.606 4.480 0.001 0.000 0.255 322 M C 1.615 177.544 176.300 -0.619 0.000 1.113 322 M CA 1.006 55.752 55.300 -0.922 0.000 1.097 322 M CB -0.982 30.306 32.600 -2.186 0.000 1.426 322 M HN 0.765 nan 8.290 nan 0.000 0.488 323 G N -0.607 107.987 108.800 -0.344 0.000 2.176 323 G HA2 -0.181 3.779 3.960 0.001 0.000 0.253 323 G HA3 -0.181 3.779 3.960 0.001 0.000 0.253 323 G C -0.484 174.490 174.900 0.123 0.000 0.979 323 G CA -0.329 44.729 45.100 -0.070 0.000 0.641 323 G HN 0.380 nan 8.290 nan 0.000 0.530 324 W N 2.118 123.414 121.300 -0.007 0.000 2.287 324 W HA 0.570 5.231 4.660 0.001 0.000 0.313 324 W C 0.659 177.168 176.519 -0.017 0.000 1.267 324 W CA -1.471 55.868 57.345 -0.010 0.000 1.201 324 W CB 0.087 29.549 29.460 0.004 0.000 1.196 324 W HN 0.239 nan 8.180 nan 0.000 0.536 325 E N 2.604 122.893 120.200 0.148 0.000 2.376 325 E HA 0.083 4.433 4.350 0.001 0.000 0.266 325 E C -0.110 176.590 176.600 0.167 0.000 1.009 325 E CA 0.004 56.460 56.400 0.094 0.000 0.902 325 E CB 0.818 30.507 29.700 -0.019 0.000 0.972 325 E HN 0.236 nan 8.360 nan 0.000 0.439 326 I N 3.731 124.445 120.570 0.240 0.000 2.294 326 I HA 0.053 4.223 4.170 0.001 0.000 0.295 326 I C -0.524 175.751 176.117 0.264 0.000 1.098 326 I CA -0.317 61.202 61.300 0.365 0.000 1.277 326 I CB 0.426 38.681 38.000 0.425 0.000 1.434 326 I HN 0.202 nan 8.210 nan 0.000 0.498 327 V N 8.599 128.702 119.914 0.315 0.000 2.315 327 V HA 0.191 4.311 4.120 0.001 0.000 0.265 327 V C -1.781 174.472 176.094 0.265 0.000 1.019 327 V CA -0.989 61.467 62.300 0.260 0.000 0.824 327 V CB 0.995 32.994 31.823 0.292 0.000 1.072 327 V HN 0.522 nan 8.190 nan 0.000 0.448 328 P HA -0.156 nan 4.420 nan 0.000 0.218 328 P C 1.647 178.856 177.300 -0.152 0.000 1.149 328 P CA 1.019 63.870 63.100 -0.416 0.000 0.817 328 P CB 0.306 31.650 31.700 -0.593 0.000 0.785 329 E N -0.295 119.871 120.200 -0.056 0.000 2.338 329 E HA -0.086 4.265 4.350 0.001 0.000 0.197 329 E C 1.999 178.460 176.600 -0.233 0.000 1.007 329 E CA 1.464 57.835 56.400 -0.049 0.000 0.849 329 E CB -1.466 28.251 29.700 0.028 0.000 0.774 329 E HN 0.193 nan 8.360 nan 0.000 0.506 330 G N 1.839 110.436 108.800 -0.338 0.000 2.448 330 G HA2 -0.199 3.761 3.960 0.001 0.000 0.219 330 G HA3 -0.199 3.761 3.960 0.001 0.000 0.219 330 G C 1.590 176.030 174.900 -0.766 0.000 1.127 330 G CA 0.619 45.275 45.100 -0.739 0.000 0.766 330 G HN 0.346 nan 8.290 nan 0.000 0.552 331 I N -0.980 119.110 120.570 -0.800 0.000 2.353 331 I HA -0.049 4.122 4.170 0.001 0.000 0.248 331 I C 2.370 178.415 176.117 -0.121 0.000 1.119 331 I CA 0.857 61.831 61.300 -0.543 0.000 1.417 331 I CB -0.042 37.855 38.000 -0.173 0.000 1.078 331 I HN 0.343 nan 8.210 nan 0.000 0.421 332 Y N 0.305 120.515 120.300 -0.150 0.000 2.097 332 Y HA -0.370 4.180 4.550 0.001 0.000 0.282 332 Y C 2.325 178.188 175.900 -0.060 0.000 1.152 332 Y CA 2.318 60.373 58.100 -0.074 0.000 1.136 332 Y CB -0.737 37.688 38.460 -0.058 0.000 0.975 332 Y HN 0.366 nan 8.280 nan 0.000 0.498 333 W N 0.592 121.632 121.300 -0.433 0.000 2.335 333 W HA -0.279 4.382 4.660 0.001 0.000 0.311 333 W C 2.165 178.511 176.519 -0.288 0.000 1.213 333 W CA 2.074 59.133 57.345 -0.478 0.000 1.274 333 W CB -0.468 28.646 29.460 -0.577 0.000 1.148 333 W HN 0.252 nan 8.180 nan 0.000 0.498 334 I N 0.408 121.098 120.570 0.201 0.000 2.394 334 I HA -0.258 3.913 4.170 0.001 0.000 0.251 334 I C 2.226 178.335 176.117 -0.013 0.000 1.136 334 I CA 1.591 63.053 61.300 0.270 0.000 1.425 334 I CB -0.521 37.716 38.000 0.395 0.000 1.079 334 I HN 0.028 nan 8.210 nan 0.000 0.425 335 L N -0.301 120.857 121.223 -0.108 0.000 2.072 335 L HA -0.169 4.172 4.340 0.001 0.000 0.205 335 L C 2.520 179.235 176.870 -0.258 0.000 1.079 335 L CA 0.914 55.674 54.840 -0.132 0.000 0.752 335 L CB -0.717 41.306 42.059 -0.061 0.000 0.906 335 L HN 0.065 nan 8.230 nan 0.000 0.436 336 K N 0.408 120.534 120.400 -0.456 0.000 2.032 336 K HA -0.217 4.103 4.320 0.001 0.000 0.209 336 K C 2.097 178.440 176.600 -0.429 0.000 1.048 336 K CA 1.427 57.419 56.287 -0.491 0.000 0.927 336 K CB -0.337 31.737 32.500 -0.710 0.000 0.712 336 K HN 0.031 nan 8.250 nan 0.000 0.441 337 K N 1.014 121.072 120.400 -0.570 0.000 2.097 337 K HA -0.053 4.267 4.320 0.001 0.000 0.205 337 K C 1.987 178.513 176.600 -0.124 0.000 1.050 337 K CA 0.630 56.628 56.287 -0.482 0.000 0.938 337 K CB -0.443 31.508 32.500 -0.916 0.000 0.718 337 K HN -0.047 nan 8.250 nan 0.000 0.442 338 V N 0.906 120.733 119.914 -0.146 0.000 2.343 338 V HA -0.255 3.865 4.120 0.001 0.000 0.247 338 V C 2.256 178.275 176.094 -0.125 0.000 1.051 338 V CA 2.131 64.279 62.300 -0.254 0.000 1.036 338 V CB -0.303 31.174 31.823 -0.578 0.000 0.654 338 V HN 0.435 nan 8.190 nan 0.000 0.451 339 K N -0.160 120.151 120.400 -0.149 0.000 2.026 339 K HA -0.263 4.058 4.320 0.001 0.000 0.208 339 K C 2.223 178.741 176.600 -0.137 0.000 1.048 339 K CA 2.141 58.352 56.287 -0.128 0.000 0.929 339 K CB -0.391 32.032 32.500 -0.128 0.000 0.713 339 K HN 0.652 nan 8.250 nan 0.000 0.439 340 E N 0.466 120.570 120.200 -0.160 0.000 2.070 340 E HA -0.249 4.101 4.350 0.001 0.000 0.197 340 E C 1.625 178.118 176.600 -0.177 0.000 1.004 340 E CA 1.854 58.158 56.400 -0.161 0.000 0.805 340 E CB 0.070 29.659 29.700 -0.186 0.000 0.744 340 E HN 0.455 nan 8.360 nan 0.000 0.451 341 E N -1.543 118.541 120.200 -0.193 0.000 2.122 341 E HA -0.096 4.255 4.350 0.001 0.000 0.190 341 E C 1.202 177.386 176.600 -0.692 0.000 0.977 341 E CA 0.819 56.977 56.400 -0.403 0.000 0.820 341 E CB 0.213 29.697 29.700 -0.359 0.000 0.770 341 E HN 0.406 nan 8.360 nan 0.000 0.462 342 Y N -0.744 119.490 120.300 -0.109 0.000 2.448 342 Y HA 0.194 4.744 4.550 0.001 0.000 0.257 342 Y C 0.249 175.877 175.900 -0.452 0.000 1.089 342 Y CA -0.458 57.458 58.100 -0.307 0.000 1.245 342 Y CB 0.369 38.681 38.460 -0.247 0.000 1.282 342 Y HN -0.108 nan 8.280 nan 0.000 0.529 343 N N 1.382 119.981 118.700 -0.169 0.000 2.699 343 N HA -0.138 4.603 4.740 0.001 0.000 0.256 343 N C -2.832 172.583 175.510 -0.158 0.000 0.993 343 N CA 0.083 53.042 53.050 -0.151 0.000 0.759 343 N CB -0.361 38.043 38.487 -0.138 0.000 0.906 343 N HN 0.141 nan 8.380 nan 0.000 0.541 344 P HA 0.071 nan 4.420 nan 0.000 0.269 344 P C -1.731 175.614 177.300 0.074 0.000 1.215 344 P CA -0.974 62.151 63.100 0.042 0.000 0.780 344 P CB 0.473 32.276 31.700 0.171 0.000 0.898 345 P HA -0.062 nan 4.420 nan 0.000 0.217 345 P C 0.101 177.461 177.300 0.100 0.000 1.150 345 P CA 1.538 64.702 63.100 0.107 0.000 0.832 345 P CB 0.477 32.260 31.700 0.138 0.000 0.787 346 E N -1.266 119.028 120.200 0.156 0.000 2.356 346 E HA 0.485 4.835 4.350 0.001 0.000 0.275 346 E C -1.366 175.329 176.600 0.158 0.000 0.904 346 E CA -0.915 55.553 56.400 0.113 0.000 0.757 346 E CB 3.033 32.823 29.700 0.150 0.000 1.232 346 E HN -0.319 nan 8.360 nan 0.000 0.442 347 V N 2.041 121.957 119.914 0.003 0.000 2.735 347 V HA 0.469 4.589 4.120 0.001 0.000 0.310 347 V C -1.363 174.649 176.094 -0.138 0.000 1.061 347 V CA -0.868 61.473 62.300 0.068 0.000 0.913 347 V CB 1.176 33.027 31.823 0.047 0.000 1.005 347 V HN 0.591 nan 8.190 nan 0.000 0.428 348 Y N 2.760 123.169 120.300 0.182 0.000 2.462 348 Y HA 0.558 5.108 4.550 0.001 0.000 0.346 348 Y C 0.062 176.070 175.900 0.181 0.000 0.976 348 Y CA -1.056 57.128 58.100 0.139 0.000 1.044 348 Y CB 1.922 40.442 38.460 0.100 0.000 1.230 348 Y HN 0.370 nan 8.280 nan 0.000 0.455 349 I N 3.374 124.154 120.570 0.351 0.000 2.347 349 I HA 0.023 4.194 4.170 0.001 0.000 0.294 349 I C 1.028 177.304 176.117 0.264 0.000 1.090 349 I CA 0.275 61.746 61.300 0.285 0.000 1.314 349 I CB 0.336 38.534 38.000 0.330 0.000 1.423 349 I HN 0.805 nan 8.210 nan 0.000 0.503 350 T N 2.360 117.016 114.554 0.170 0.000 3.081 350 T HA 0.250 4.600 4.350 0.001 0.000 0.250 350 T C 0.533 175.259 174.700 0.043 0.000 1.100 350 T CA 0.040 62.141 62.100 0.002 0.000 1.038 350 T CB 0.379 69.191 68.868 -0.093 0.000 0.962 350 T HN 0.556 nan 8.240 nan 0.000 0.516 351 E N 0.951 121.194 120.200 0.071 0.000 2.397 351 E HA 0.356 4.707 4.350 0.001 0.000 0.293 351 E C -1.600 174.922 176.600 -0.132 0.000 0.930 351 E CA -0.597 55.853 56.400 0.083 0.000 0.793 351 E CB 1.712 31.515 29.700 0.173 0.000 1.259 351 E HN 0.222 nan 8.360 nan 0.000 0.406 352 N N 2.088 120.692 118.700 -0.161 0.000 2.406 352 N HA 0.646 5.387 4.740 0.001 0.000 0.283 352 N C -1.158 174.408 175.510 0.093 0.000 1.074 352 N CA -0.232 52.692 53.050 -0.210 0.000 0.916 352 N CB 2.232 40.752 38.487 0.054 0.000 1.639 352 N HN 0.642 nan 8.380 nan 0.000 0.485 353 G N 0.726 109.643 108.800 0.196 0.000 2.342 353 G HA2 0.692 4.653 3.960 0.001 0.000 0.297 353 G HA3 0.692 4.653 3.960 0.001 0.000 0.297 353 G C -2.156 172.934 174.900 0.317 0.000 1.313 353 G CA -0.060 45.316 45.100 0.460 0.000 0.830 353 G HN 0.731 nan 8.290 nan 0.000 0.506 354 A N -1.384 121.537 122.820 0.169 0.000 2.574 354 A HA 0.979 5.299 4.320 0.001 0.000 0.297 354 A C -0.395 176.731 177.584 -0.764 0.000 1.062 354 A CA 0.264 52.047 52.037 -0.423 0.000 0.686 354 A CB 1.365 19.805 19.000 -0.935 0.000 1.285 354 A HN 2.446 nan 8.150 nan 0.000 0.403 355 A N 1.213 123.249 122.820 -1.307 0.000 2.260 355 A HA 0.832 5.153 4.320 0.001 0.000 0.314 355 A C -1.013 176.021 177.584 -0.916 0.000 1.257 355 A CA -0.138 51.185 52.037 -1.189 0.000 0.871 355 A CB -0.125 18.062 19.000 -1.355 0.000 1.166 355 A HN 0.786 nan 8.150 nan 0.000 0.522 356 F N 0.005 119.778 119.950 -0.296 0.000 2.640 356 F HA 0.346 4.873 4.527 0.001 0.000 0.324 356 F C -0.091 175.644 175.800 -0.108 0.000 1.077 356 F CA -0.784 57.113 58.000 -0.172 0.000 0.965 356 F CB 1.684 40.617 39.000 -0.112 0.000 1.351 356 F HN 0.466 nan 8.300 nan 0.000 0.487 357 D N 1.768 122.268 120.400 0.168 0.000 2.508 357 D HA 0.064 4.705 4.640 0.001 0.000 0.224 357 D C -0.761 175.597 176.300 0.096 0.000 1.171 357 D CA 0.161 54.217 54.000 0.092 0.000 1.006 357 D CB -0.188 40.653 40.800 0.069 0.000 1.073 357 D HN 0.308 nan 8.370 nan 0.000 0.513 358 D N 1.227 121.699 120.400 0.121 0.000 2.417 358 D HA 0.058 4.698 4.640 0.001 0.000 0.250 358 D C 0.596 176.944 176.300 0.080 0.000 1.166 358 D CA 0.015 54.086 54.000 0.118 0.000 0.881 358 D CB 1.752 42.687 40.800 0.225 0.000 1.164 358 D HN 0.096 nan 8.370 nan 0.000 0.467 359 V N 0.421 120.323 119.914 -0.021 0.000 2.555 359 V HA 0.477 4.597 4.120 0.001 0.000 0.302 359 V C -0.233 175.737 176.094 -0.207 0.000 1.038 359 V CA -0.848 61.405 62.300 -0.078 0.000 0.887 359 V CB 1.857 33.659 31.823 -0.035 0.000 0.991 359 V HN 0.171 nan 8.190 nan 0.000 0.434 360 V N 5.807 125.541 119.914 -0.300 0.000 2.432 360 V HA 0.455 4.575 4.120 0.001 0.000 0.271 360 V C 0.907 176.889 176.094 -0.186 0.000 1.046 360 V CA 0.372 62.465 62.300 -0.345 0.000 0.945 360 V CB 0.758 32.330 31.823 -0.418 0.000 0.992 360 V HN 1.203 nan 8.190 nan 0.000 0.471 361 S N 3.574 119.180 115.700 -0.158 0.000 2.713 361 S HA 0.336 4.806 4.470 0.001 0.000 0.277 361 S C 0.929 175.497 174.600 -0.053 0.000 1.168 361 S CA -0.815 57.345 58.200 -0.066 0.000 0.994 361 S CB 0.890 64.099 63.200 0.014 0.000 1.054 361 S HN 0.707 nan 8.310 nan 0.000 0.555 362 E N 1.020 121.210 120.200 -0.018 0.000 2.209 362 E HA -0.196 4.154 4.350 0.001 0.000 0.196 362 E C 0.828 177.419 176.600 -0.014 0.000 0.993 362 E CA 1.428 57.818 56.400 -0.016 0.000 0.819 362 E CB -0.463 29.234 29.700 -0.006 0.000 0.745 362 E HN 0.817 nan 8.360 nan 0.000 0.477 363 D N -0.071 120.331 120.400 0.002 0.000 2.363 363 D HA 0.007 4.647 4.640 0.001 0.000 0.226 363 D C 1.164 177.449 176.300 -0.025 0.000 1.020 363 D CA 0.695 54.700 54.000 0.009 0.000 0.892 363 D CB -0.274 40.566 40.800 0.066 0.000 0.900 363 D HN 0.179 nan 8.370 nan 0.000 0.531 364 G N 0.155 108.918 108.800 -0.061 0.000 2.221 364 G HA2 -0.284 3.677 3.960 0.001 0.000 0.265 364 G HA3 -0.284 3.677 3.960 0.001 0.000 0.265 364 G C -0.004 174.822 174.900 -0.122 0.000 1.041 364 G CA -0.050 44.998 45.100 -0.087 0.000 0.807 364 G HN 0.367 nan 8.290 nan 0.000 0.502 365 R N -1.489 118.895 120.500 -0.194 0.000 2.867 365 R HA 0.693 5.034 4.340 0.001 0.000 0.268 365 R C -0.640 175.372 176.300 -0.480 0.000 1.014 365 R CA -0.829 55.102 56.100 -0.282 0.000 0.946 365 R CB 1.943 32.097 30.300 -0.243 0.000 1.208 365 R HN 0.262 nan 8.270 nan 0.000 0.477 366 V N 3.258 122.911 119.914 -0.435 0.000 2.326 366 V HA 0.260 4.380 4.120 0.001 0.000 0.281 366 V C -0.229 175.683 176.094 -0.304 0.000 1.015 366 V CA -0.731 61.347 62.300 -0.370 0.000 0.823 366 V CB 1.063 32.747 31.823 -0.231 0.000 1.009 366 V HN 0.541 nan 8.190 nan 0.000 0.436 367 H N 4.078 123.125 119.070 -0.039 0.000 2.745 367 H HA 0.200 4.756 4.556 0.001 0.000 0.235 367 H C -0.046 175.250 175.328 -0.053 0.000 1.815 367 H CA -0.618 55.413 56.048 -0.028 0.000 1.321 367 H CB 0.137 29.880 29.762 -0.032 0.000 1.716 367 H HN 0.752 nan 8.280 nan 0.000 0.546 368 D N 1.086 121.499 120.400 0.022 0.000 2.741 368 D HA -0.036 4.604 4.640 0.001 0.000 0.233 368 D C 1.258 177.497 176.300 -0.102 0.000 1.160 368 D CA -0.488 53.483 54.000 -0.048 0.000 1.003 368 D CB 0.727 41.514 40.800 -0.022 0.000 1.064 368 D HN 0.157 nan 8.370 nan 0.000 0.503 369 Q N 2.050 121.784 119.800 -0.110 0.000 2.181 369 Q HA -0.246 4.094 4.340 0.001 0.000 0.205 369 Q C 1.318 177.168 176.000 -0.250 0.000 0.980 369 Q CA 1.921 57.629 55.803 -0.158 0.000 0.862 369 Q CB -0.223 28.443 28.738 -0.120 0.000 0.905 369 Q HN 0.521 nan 8.270 nan 0.000 0.429 370 N N -0.165 118.315 118.700 -0.368 0.000 2.104 370 N HA -0.228 4.512 4.740 0.001 0.000 0.190 370 N C 1.638 176.812 175.510 -0.560 0.000 1.024 370 N CA 1.796 54.456 53.050 -0.651 0.000 0.853 370 N CB -0.646 37.081 38.487 -1.266 0.000 1.008 370 N HN 0.293 nan 8.380 nan 0.000 0.424 371 R N 0.368 120.656 120.500 -0.353 0.000 2.073 371 R HA 0.145 4.485 4.340 0.001 0.000 0.229 371 R C 2.194 178.497 176.300 0.004 0.000 1.120 371 R CA 0.815 56.953 56.100 0.063 0.000 0.967 371 R CB -0.244 30.140 30.300 0.140 0.000 0.862 371 R HN 0.226 nan 8.270 nan 0.000 0.436 372 I N 1.326 121.769 120.570 -0.211 0.000 2.151 372 I HA -0.343 3.827 4.170 0.001 0.000 0.243 372 I C 1.645 177.460 176.117 -0.504 0.000 1.080 372 I CA 1.539 62.486 61.300 -0.588 0.000 1.339 372 I CB -0.403 37.168 38.000 -0.715 0.000 1.039 372 I HN 0.231 nan 8.210 nan 0.000 0.409 373 D N -0.035 120.209 120.400 -0.260 0.000 2.104 373 D HA -0.248 4.392 4.640 0.001 0.000 0.194 373 D C 1.903 178.230 176.300 0.045 0.000 0.994 373 D CA 1.461 55.388 54.000 -0.122 0.000 0.830 373 D CB -0.511 40.243 40.800 -0.076 0.000 0.959 373 D HN 0.377 nan 8.370 nan 0.000 0.452 374 Y N 1.399 121.747 120.300 0.080 0.000 2.070 374 Y HA -0.209 4.342 4.550 0.001 0.000 0.280 374 Y C 2.329 178.455 175.900 0.377 0.000 1.148 374 Y CA 1.530 59.815 58.100 0.308 0.000 1.125 374 Y CB -0.477 38.235 38.460 0.420 0.000 0.975 374 Y HN -0.092 nan 8.280 nan 0.000 0.492 375 L N 0.408 121.881 121.223 0.418 0.000 2.012 375 L HA -0.289 4.052 4.340 0.001 0.000 0.210 375 L C 2.602 179.670 176.870 0.329 0.000 1.073 375 L CA 2.157 57.245 54.840 0.414 0.000 0.748 375 L CB -0.760 41.544 42.059 0.407 0.000 0.891 375 L HN 0.220 nan 8.230 nan 0.000 0.431 376 K N 0.505 120.966 120.400 0.101 0.000 2.032 376 K HA -0.230 4.091 4.320 0.001 0.000 0.209 376 K C 2.138 178.836 176.600 0.165 0.000 1.048 376 K CA 1.602 58.029 56.287 0.234 0.000 0.927 376 K CB -0.161 32.358 32.500 0.030 0.000 0.712 376 K HN 0.264 nan 8.250 nan 0.000 0.441 377 A N 0.588 123.441 122.820 0.054 0.000 1.902 377 A HA -0.185 4.135 4.320 0.001 0.000 0.217 377 A C 1.755 179.280 177.584 -0.097 0.000 1.181 377 A CA 1.889 53.889 52.037 -0.062 0.000 0.623 377 A CB -0.899 17.997 19.000 -0.173 0.000 0.818 377 A HN 0.545 nan 8.150 nan 0.000 0.443 378 H N -0.846 118.234 119.070 0.018 0.000 2.428 378 H HA 0.126 4.682 4.556 0.001 0.000 0.296 378 H C 1.842 177.272 175.328 0.171 0.000 1.062 378 H CA 1.419 57.519 56.048 0.087 0.000 1.350 378 H CB -0.117 29.707 29.762 0.104 0.000 1.403 378 H HN 0.456 nan 8.280 nan 0.000 0.533 379 I N -0.123 120.607 120.570 0.267 0.000 2.353 379 I HA -0.148 4.023 4.170 0.001 0.000 0.248 379 I C 2.667 178.983 176.117 0.333 0.000 1.119 379 I CA 1.080 62.512 61.300 0.220 0.000 1.417 379 I CB -0.370 37.715 38.000 0.142 0.000 1.078 379 I HN 0.366 nan 8.210 nan 0.000 0.421 380 G N 0.143 109.072 108.800 0.215 0.000 2.469 380 G HA2 -0.250 3.711 3.960 0.001 0.000 0.219 380 G HA3 -0.250 3.711 3.960 0.001 0.000 0.219 380 G C 1.571 176.579 174.900 0.179 0.000 1.150 380 G CA 0.508 45.692 45.100 0.139 0.000 0.763 380 G HN 0.296 nan 8.290 nan 0.000 0.561 381 Q N 0.339 120.222 119.800 0.138 0.000 2.167 381 Q HA 0.045 4.386 4.340 0.001 0.000 0.202 381 Q C 2.970 179.105 176.000 0.225 0.000 0.970 381 Q CA 1.212 57.092 55.803 0.127 0.000 0.855 381 Q CB -0.538 28.242 28.738 0.071 0.000 0.911 381 Q HN 0.473 nan 8.270 nan 0.000 0.438 382 A N -0.017 122.972 122.820 0.282 0.000 1.933 382 A HA -0.183 4.137 4.320 0.001 0.000 0.218 382 A C 1.853 179.566 177.584 0.216 0.000 1.175 382 A CA 1.231 53.453 52.037 0.310 0.000 0.628 382 A CB -0.995 18.265 19.000 0.433 0.000 0.814 382 A HN 0.559 nan 8.150 nan 0.000 0.444 383 W N 0.858 122.112 121.300 -0.076 0.000 2.358 383 W HA -0.166 4.494 4.660 0.001 0.000 0.303 383 W C 2.166 178.534 176.519 -0.252 0.000 1.208 383 W CA 2.040 59.095 57.345 -0.484 0.000 1.274 383 W CB -0.019 29.075 29.460 -0.610 0.000 1.138 383 W HN 0.284 nan 8.180 nan 0.000 0.515 384 K N 0.344 120.805 120.400 0.101 0.000 2.032 384 K HA -0.206 4.114 4.320 0.001 0.000 0.209 384 K C 2.200 178.774 176.600 -0.043 0.000 1.048 384 K CA 1.898 58.150 56.287 -0.059 0.000 0.927 384 K CB -0.597 31.867 32.500 -0.060 0.000 0.712 384 K HN 0.139 nan 8.250 nan 0.000 0.441 385 A N 1.329 124.247 122.820 0.164 0.000 1.908 385 A HA -0.178 4.143 4.320 0.001 0.000 0.218 385 A C 2.111 179.667 177.584 -0.047 0.000 1.181 385 A CA 1.693 53.824 52.037 0.156 0.000 0.627 385 A CB -0.630 18.445 19.000 0.125 0.000 0.818 385 A HN 0.392 nan 8.150 nan 0.000 0.445 386 I N -0.501 119.975 120.570 -0.157 0.000 2.226 386 I HA -0.265 3.905 4.170 0.001 0.000 0.245 386 I C 2.490 178.412 176.117 -0.325 0.000 1.100 386 I CA 1.168 62.324 61.300 -0.240 0.000 1.374 386 I CB -0.287 37.506 38.000 -0.346 0.000 1.057 386 I HN 0.314 nan 8.210 nan 0.000 0.413 387 Q N 0.634 120.132 119.800 -0.503 0.000 2.226 387 Q HA -0.191 4.149 4.340 0.001 0.000 0.204 387 Q C 1.398 177.239 176.000 -0.265 0.000 0.975 387 Q CA 1.296 56.796 55.803 -0.504 0.000 0.866 387 Q CB -0.405 27.912 28.738 -0.702 0.000 0.915 387 Q HN 0.597 nan 8.270 nan 0.000 0.440 388 E N -0.791 119.306 120.200 -0.171 0.000 2.437 388 E HA 0.223 4.573 4.350 0.001 0.000 0.189 388 E C 0.399 176.947 176.600 -0.086 0.000 1.054 388 E CA 0.251 56.599 56.400 -0.086 0.000 0.874 388 E CB 0.292 29.999 29.700 0.010 0.000 1.011 388 E HN 0.454 nan 8.360 nan 0.000 0.474 389 G N 0.813 109.548 108.800 -0.110 0.000 2.159 389 G HA2 -0.255 3.705 3.960 0.001 0.000 0.227 389 G HA3 -0.255 3.705 3.960 0.001 0.000 0.227 389 G C 0.379 175.231 174.900 -0.080 0.000 0.986 389 G CA -0.056 44.989 45.100 -0.090 0.000 0.651 389 G HN 0.167 nan 8.290 nan 0.000 0.523 390 V N 2.418 122.284 119.914 -0.081 0.000 2.572 390 V HA 0.360 4.481 4.120 0.001 0.000 0.291 390 V C -0.892 175.174 176.094 -0.047 0.000 1.039 390 V CA -0.316 61.943 62.300 -0.068 0.000 1.055 390 V CB 1.276 33.060 31.823 -0.065 0.000 0.969 390 V HN 0.243 nan 8.190 nan 0.000 0.482 391 P HA 0.187 nan 4.420 nan 0.000 0.212 391 P C -0.506 176.766 177.300 -0.047 0.000 1.816 391 P CA -0.405 62.675 63.100 -0.033 0.000 0.944 391 P CB 0.242 31.927 31.700 -0.024 0.000 1.896 392 L N 1.882 123.099 121.223 -0.009 0.000 2.369 392 L HA 0.150 4.491 4.340 0.001 0.000 0.279 392 L C 1.120 177.982 176.870 -0.013 0.000 1.108 392 L CA 0.709 55.555 54.840 0.010 0.000 0.852 392 L CB 0.473 42.631 42.059 0.165 0.000 1.169 392 L HN -0.103 nan 8.230 nan 0.000 0.452 393 K N 3.904 124.066 120.400 -0.396 0.000 2.360 393 K HA 0.480 4.800 4.320 0.001 0.000 0.196 393 K C 0.434 176.482 176.600 -0.920 0.000 1.049 393 K CA 0.482 56.451 56.287 -0.531 0.000 1.049 393 K CB 0.998 33.114 32.500 -0.640 0.000 0.881 393 K HN 0.745 nan 8.250 nan 0.000 0.542 394 G N 0.232 108.468 108.800 -0.940 0.000 2.576 394 G HA2 0.421 4.381 3.960 0.001 0.000 0.290 394 G HA3 0.421 4.381 3.960 0.001 0.000 0.290 394 G C -2.307 172.371 174.900 -0.369 0.000 1.442 394 G CA -0.595 43.853 45.100 -1.087 0.000 0.792 394 G HN 0.004 nan 8.290 nan 0.000 0.491 395 Y N -0.086 119.892 120.300 -0.536 0.000 2.401 395 Y HA 0.721 5.272 4.550 0.001 0.000 0.330 395 Y C -2.058 173.800 175.900 -0.070 0.000 1.071 395 Y CA -1.568 56.530 58.100 -0.004 0.000 1.049 395 Y CB 1.611 40.209 38.460 0.230 0.000 1.239 395 Y HN 0.453 nan 8.280 nan 0.000 0.437 396 F N 5.659 125.416 119.950 -0.321 0.000 2.449 396 F HA 0.561 5.088 4.527 0.001 0.000 0.342 396 F C -0.474 175.138 175.800 -0.314 0.000 1.127 396 F CA -1.128 56.768 58.000 -0.174 0.000 0.975 396 F CB 1.717 40.639 39.000 -0.129 0.000 1.146 396 F HN 0.225 nan 8.300 nan 0.000 0.444 397 V N 3.889 123.806 119.914 0.006 0.000 2.488 397 V HA -0.013 4.107 4.120 0.001 0.000 0.277 397 V C -0.360 175.819 176.094 0.141 0.000 1.046 397 V CA -0.626 61.673 62.300 -0.002 0.000 0.986 397 V CB 0.820 32.537 31.823 -0.177 0.000 0.989 397 V HN 0.729 nan 8.190 nan 0.000 0.475 398 W N 6.008 127.356 121.300 0.080 0.000 2.332 398 W HA 0.565 5.225 4.660 0.001 0.000 0.306 398 W C -0.055 176.601 176.519 0.229 0.000 1.149 398 W CA -0.056 57.374 57.345 0.142 0.000 1.271 398 W CB 1.549 31.119 29.460 0.182 0.000 1.243 398 W HN 0.622 nan 8.180 nan 0.000 0.459 399 S N 4.301 119.809 115.700 -0.320 0.000 2.667 399 S HA 0.305 4.775 4.470 0.001 0.000 0.292 399 S C 0.425 174.830 174.600 -0.324 0.000 1.126 399 S CA -0.701 57.024 58.200 -0.791 0.000 0.881 399 S CB 1.432 63.611 63.200 -1.702 0.000 1.132 399 S HN 0.522 nan 8.310 nan 0.000 0.492 400 L N 2.363 123.431 121.223 -0.259 0.000 1.990 400 L HA 0.278 4.618 4.340 0.001 0.000 0.213 400 L C -0.023 176.761 176.870 -0.143 0.000 1.072 400 L CA 2.009 56.774 54.840 -0.126 0.000 0.755 400 L CB -0.539 41.475 42.059 -0.076 0.000 0.889 400 L HN 0.646 nan 8.230 nan 0.000 0.432 401 L N -0.264 120.841 121.223 -0.197 0.000 2.354 401 L HA 0.371 4.711 4.340 0.001 0.000 0.269 401 L C -0.512 176.286 176.870 -0.121 0.000 1.005 401 L CA -1.270 53.485 54.840 -0.141 0.000 0.819 401 L CB 1.337 43.324 42.059 -0.119 0.000 1.311 401 L HN -0.114 nan 8.230 nan 0.000 0.423 402 D N 2.581 122.933 120.400 -0.079 0.000 2.449 402 D HA 0.143 4.783 4.640 0.001 0.000 0.236 402 D C -0.392 175.980 176.300 0.120 0.000 1.149 402 D CA 0.625 54.629 54.000 0.007 0.000 0.878 402 D CB 0.426 41.153 40.800 -0.121 0.000 1.198 402 D HN 0.681 nan 8.370 nan 0.000 0.446 403 N N -0.202 118.636 118.700 0.230 0.000 3.308 403 N HA 0.123 4.864 4.740 0.001 0.000 0.276 403 N C -1.110 174.524 175.510 0.206 0.000 1.533 403 N CA -0.791 52.416 53.050 0.262 0.000 0.878 403 N CB 0.505 39.025 38.487 0.055 0.000 1.566 403 N HN 0.221 nan 8.380 nan 0.000 0.546 404 F N 1.580 121.457 119.950 -0.121 0.000 2.506 404 F HA 0.147 4.675 4.527 0.001 0.000 0.369 404 F C 0.659 176.087 175.800 -0.620 0.000 1.114 404 F CA -0.053 57.567 58.000 -0.634 0.000 1.121 404 F CB 0.371 38.986 39.000 -0.641 0.000 1.104 404 F HN 0.555 nan 8.300 nan 0.000 0.564 405 E N 7.540 127.221 120.200 -0.864 0.000 2.280 405 E HA 0.195 4.545 4.350 0.001 0.000 0.279 405 E C -0.273 175.934 176.600 -0.655 0.000 1.325 405 E CA -0.243 55.785 56.400 -0.620 0.000 1.486 405 E CB -0.494 29.133 29.700 -0.122 0.000 1.466 405 E HN 0.736 nan 8.360 nan 0.000 0.473 406 W N 0.933 121.678 121.300 -0.925 0.000 2.152 406 W HA -0.478 4.183 4.660 0.001 0.000 0.285 406 W C 1.836 178.155 176.519 -0.333 0.000 1.275 406 W CA 0.832 57.753 57.345 -0.708 0.000 1.220 406 W CB -1.651 27.567 29.460 -0.405 0.000 0.889 406 W HN 0.329 nan 8.180 nan 0.000 0.529 407 A N -0.015 123.092 122.820 0.478 0.000 2.019 407 A HA -0.166 4.154 4.320 0.001 0.000 0.219 407 A C 1.614 179.294 177.584 0.160 0.000 1.164 407 A CA 2.016 54.318 52.037 0.442 0.000 0.644 407 A CB -0.637 18.691 19.000 0.546 0.000 0.805 407 A HN 0.503 nan 8.150 nan 0.000 0.449 408 E N -0.396 119.837 120.200 0.055 0.000 2.418 408 E HA 0.157 4.507 4.350 0.001 0.000 0.197 408 E C 1.495 177.989 176.600 -0.177 0.000 1.026 408 E CA 0.602 56.983 56.400 -0.030 0.000 0.862 408 E CB -0.696 29.003 29.700 -0.003 0.000 0.799 408 E HN 0.671 nan 8.360 nan 0.000 0.518 409 G N 1.254 109.790 108.800 -0.441 0.000 2.574 409 G HA2 -0.354 3.606 3.960 0.001 0.000 0.282 409 G HA3 -0.354 3.606 3.960 0.001 0.000 0.282 409 G C 0.338 174.858 174.900 -0.632 0.000 1.257 409 G CA 0.421 45.123 45.100 -0.662 0.000 0.956 409 G HN 0.302 nan 8.290 nan 0.000 0.560 410 Y N 1.720 121.927 120.300 -0.156 0.000 2.529 410 Y HA 0.228 4.778 4.550 0.001 0.000 0.290 410 Y C 2.934 178.808 175.900 -0.043 0.000 1.177 410 Y CA 1.240 59.250 58.100 -0.149 0.000 1.305 410 Y CB -0.051 38.211 38.460 -0.330 0.000 1.047 410 Y HN 0.601 nan 8.280 nan 0.000 0.522 411 S N -1.298 114.425 115.700 0.038 0.000 2.522 411 S HA 0.028 4.499 4.470 0.001 0.000 0.227 411 S C 0.542 175.151 174.600 0.015 0.000 0.986 411 S CA 0.136 58.362 58.200 0.043 0.000 0.929 411 S CB 0.006 63.215 63.200 0.016 0.000 0.769 411 S HN -0.051 nan 8.310 nan 0.000 0.529 412 K N 2.188 122.591 120.400 0.006 0.000 2.339 412 K HA 0.414 4.734 4.320 0.001 0.000 0.264 412 K C -0.880 175.757 176.600 0.061 0.000 0.986 412 K CA -0.138 56.136 56.287 -0.021 0.000 0.866 412 K CB 1.525 34.015 32.500 -0.018 0.000 1.103 412 K HN 0.280 nan 8.250 nan 0.000 0.441 413 R N 2.577 123.063 120.500 -0.023 0.000 2.215 413 R HA 0.304 4.644 4.340 0.001 0.000 0.336 413 R C 0.196 176.468 176.300 -0.047 0.000 0.996 413 R CA -0.199 55.921 56.100 0.033 0.000 0.847 413 R CB 0.384 30.698 30.300 0.023 0.000 1.127 413 R HN 0.483 nan 8.270 nan 0.000 0.465 414 F N 0.413 120.407 119.950 0.072 0.000 2.678 414 F HA 0.236 4.763 4.527 0.001 0.000 0.305 414 F C 1.632 177.445 175.800 0.021 0.000 1.090 414 F CA -0.331 57.739 58.000 0.117 0.000 1.272 414 F CB 0.781 39.988 39.000 0.345 0.000 1.060 414 F HN 0.603 nan 8.300 nan 0.000 0.576 415 G N 0.976 109.842 108.800 0.109 0.000 2.544 415 G HA2 0.280 4.241 3.960 0.001 0.000 0.242 415 G HA3 0.280 4.241 3.960 0.001 0.000 0.242 415 G C 0.999 175.923 174.900 0.039 0.000 1.247 415 G CA -0.373 44.732 45.100 0.009 0.000 0.840 415 G HN 0.428 nan 8.290 nan 0.000 0.578 416 I N -1.397 119.178 120.570 0.009 0.000 3.793 416 I HA 0.306 4.477 4.170 0.001 0.000 0.315 416 I C -0.344 175.762 176.117 -0.018 0.000 1.275 416 I CA -0.130 61.183 61.300 0.022 0.000 1.214 416 I CB 0.175 38.195 38.000 0.034 0.000 1.018 416 I HN 0.003 nan 8.210 nan 0.000 0.439 417 V N 1.295 121.191 119.914 -0.031 0.000 2.444 417 V HA 0.289 4.409 4.120 0.001 0.000 0.294 417 V C -0.838 175.249 176.094 -0.012 0.000 1.022 417 V CA -0.709 61.567 62.300 -0.041 0.000 0.850 417 V CB 1.437 33.216 31.823 -0.073 0.000 0.992 417 V HN 0.192 nan 8.190 nan 0.000 0.426 418 Y N 4.754 124.987 120.300 -0.113 0.000 2.359 418 Y HA 0.483 5.034 4.550 0.001 0.000 0.330 418 Y C -0.075 175.714 175.900 -0.184 0.000 1.143 418 Y CA 0.145 58.167 58.100 -0.129 0.000 1.318 418 Y CB 1.203 39.592 38.460 -0.118 0.000 1.234 418 Y HN 0.418 nan 8.280 nan 0.000 0.522 419 V N 6.293 125.782 119.914 -0.708 0.000 2.409 419 V HA 0.143 4.263 4.120 0.001 0.000 0.291 419 V C -0.814 174.656 176.094 -1.040 0.000 1.020 419 V CA -0.963 60.908 62.300 -0.715 0.000 0.848 419 V CB 1.468 32.882 31.823 -0.682 0.000 0.990 419 V HN 0.720 nan 8.190 nan 0.000 0.430 420 D N 3.130 123.244 120.400 -0.477 0.000 2.339 420 D HA 0.248 4.888 4.640 0.001 0.000 0.241 420 D C 0.392 176.509 176.300 -0.305 0.000 1.183 420 D CA -0.043 53.798 54.000 -0.265 0.000 0.859 420 D CB 0.841 41.652 40.800 0.019 0.000 1.067 420 D HN 0.462 nan 8.370 nan 0.000 0.484 421 Y N 1.558 121.780 120.300 -0.129 0.000 2.373 421 Y HA -0.098 4.452 4.550 0.001 0.000 0.293 421 Y C 2.564 178.398 175.900 -0.111 0.000 1.129 421 Y CA 0.979 58.977 58.100 -0.170 0.000 1.226 421 Y CB -0.276 38.016 38.460 -0.279 0.000 1.000 421 Y HN 0.449 nan 8.280 nan 0.000 0.549 422 S N -1.657 114.072 115.700 0.048 0.000 2.481 422 S HA -0.114 4.356 4.470 0.001 0.000 0.231 422 S C 1.742 176.347 174.600 0.007 0.000 0.996 422 S CA 1.267 59.483 58.200 0.026 0.000 0.942 422 S CB -0.765 62.450 63.200 0.026 0.000 0.768 422 S HN 0.560 nan 8.310 nan 0.000 0.520 423 T N -3.423 111.126 114.554 -0.009 0.000 2.955 423 T HA 0.217 4.568 4.350 0.001 0.000 0.251 423 T C 0.647 175.330 174.700 -0.028 0.000 1.002 423 T CA 0.185 62.275 62.100 -0.016 0.000 0.970 423 T CB -0.047 68.811 68.868 -0.015 0.000 1.091 423 T HN 0.110 nan 8.240 nan 0.000 0.495 424 Q N 0.181 119.952 119.800 -0.049 0.000 2.416 424 Q HA -0.156 4.185 4.340 0.001 0.000 0.235 424 Q C 0.033 175.988 176.000 -0.073 0.000 0.773 424 Q CA 0.910 56.675 55.803 -0.064 0.000 1.286 424 Q CB -1.700 27.023 28.738 -0.024 0.000 1.556 424 Q HN 0.757 nan 8.270 nan 0.000 0.650 425 K N 1.128 121.489 120.400 -0.064 0.000 2.382 425 K HA 0.258 4.579 4.320 0.001 0.000 0.275 425 K C -0.104 176.463 176.600 -0.055 0.000 1.009 425 K CA 0.011 56.269 56.287 -0.048 0.000 0.970 425 K CB 0.530 33.015 32.500 -0.024 0.000 0.934 425 K HN -0.088 nan 8.250 nan 0.000 0.479 426 R N 3.070 123.544 120.500 -0.044 0.000 2.532 426 R HA 0.487 4.827 4.340 0.001 0.000 0.295 426 R C -0.784 175.510 176.300 -0.010 0.000 0.968 426 R CA -0.333 55.744 56.100 -0.039 0.000 0.916 426 R CB 1.091 31.358 30.300 -0.054 0.000 1.124 426 R HN 0.522 nan 8.270 nan 0.000 0.463 427 I N 2.595 123.176 120.570 0.018 0.000 2.468 427 I HA 0.225 4.396 4.170 0.001 0.000 0.284 427 I C -0.538 175.556 176.117 -0.038 0.000 1.038 427 I CA -1.151 60.147 61.300 -0.002 0.000 1.083 427 I CB 2.062 40.056 38.000 -0.011 0.000 1.223 427 I HN 0.205 nan 8.210 nan 0.000 0.443 428 V N 6.866 126.711 119.914 -0.115 0.000 2.557 428 V HA -0.018 4.102 4.120 0.001 0.000 0.301 428 V C 0.788 176.729 176.094 -0.255 0.000 1.026 428 V CA 0.184 62.317 62.300 -0.278 0.000 1.137 428 V CB -0.193 31.272 31.823 -0.596 0.000 0.917 428 V HN 0.668 nan 8.190 nan 0.000 0.484 429 K N 3.266 123.567 120.400 -0.165 0.000 2.117 429 K HA 0.200 4.520 4.320 0.001 0.000 0.240 429 K C 0.640 177.229 176.600 -0.019 0.000 1.031 429 K CA -0.748 55.500 56.287 -0.065 0.000 0.909 429 K CB 0.428 32.929 32.500 0.002 0.000 1.097 429 K HN 0.510 nan 8.250 nan 0.000 0.492 430 D N 0.359 120.817 120.400 0.097 0.000 2.218 430 D HA -0.142 4.498 4.640 0.001 0.000 0.204 430 D C 1.836 178.274 176.300 0.231 0.000 0.976 430 D CA 1.415 55.557 54.000 0.238 0.000 0.853 430 D CB -0.163 40.771 40.800 0.223 0.000 0.939 430 D HN 0.516 nan 8.370 nan 0.000 0.481 431 S N -0.427 115.361 115.700 0.147 0.000 2.402 431 S HA -0.057 4.413 4.470 0.001 0.000 0.229 431 S C 2.242 177.016 174.600 0.290 0.000 1.021 431 S CA 1.110 59.437 58.200 0.212 0.000 0.974 431 S CB -0.808 62.471 63.200 0.131 0.000 0.800 431 S HN 0.246 nan 8.310 nan 0.000 0.484 432 G N 0.661 109.526 108.800 0.109 0.000 2.433 432 G HA2 -0.149 3.811 3.960 0.001 0.000 0.216 432 G HA3 -0.149 3.811 3.960 0.001 0.000 0.216 432 G C 1.214 176.157 174.900 0.072 0.000 1.186 432 G CA 0.988 46.106 45.100 0.030 0.000 0.779 432 G HN 0.562 nan 8.290 nan 0.000 0.543 433 Y N -0.889 119.509 120.300 0.163 0.000 2.181 433 Y HA -0.045 4.506 4.550 0.001 0.000 0.288 433 Y C 2.466 178.452 175.900 0.143 0.000 1.146 433 Y CA 0.553 58.723 58.100 0.118 0.000 1.164 433 Y CB -0.868 37.650 38.460 0.097 0.000 0.982 433 Y HN 0.410 nan 8.280 nan 0.000 0.515 434 W N -0.454 120.963 121.300 0.196 0.000 2.335 434 W HA -0.339 4.322 4.660 0.001 0.000 0.311 434 W C 2.338 178.915 176.519 0.097 0.000 1.213 434 W CA 2.091 59.507 57.345 0.117 0.000 1.274 434 W CB -0.924 28.603 29.460 0.111 0.000 1.148 434 W HN 0.169 nan 8.180 nan 0.000 0.498 435 Y N 0.883 121.256 120.300 0.122 0.000 2.224 435 Y HA -0.203 4.348 4.550 0.001 0.000 0.289 435 Y C 2.864 178.589 175.900 -0.292 0.000 1.146 435 Y CA 2.090 60.089 58.100 -0.168 0.000 1.182 435 Y CB -1.213 37.314 38.460 0.111 0.000 0.983 435 Y HN 0.007 nan 8.280 nan 0.000 0.524 436 S N 0.034 115.661 115.700 -0.122 0.000 2.374 436 S HA -0.255 4.216 4.470 0.001 0.000 0.227 436 S C 2.027 176.429 174.600 -0.329 0.000 1.037 436 S CA 1.809 59.885 58.200 -0.206 0.000 1.024 436 S CB -0.576 62.614 63.200 -0.017 0.000 0.861 436 S HN 0.661 nan 8.310 nan 0.000 0.456 437 N N 0.278 118.782 118.700 -0.326 0.000 2.120 437 N HA -0.090 4.651 4.740 0.001 0.000 0.188 437 N C 1.756 176.927 175.510 -0.566 0.000 1.024 437 N CA 1.601 54.421 53.050 -0.383 0.000 0.852 437 N CB -0.223 38.060 38.487 -0.340 0.000 1.003 437 N HN 0.300 nan 8.380 nan 0.000 0.424 438 V N 1.173 120.577 119.914 -0.850 0.000 2.343 438 V HA -0.182 3.939 4.120 0.001 0.000 0.247 438 V C 2.466 177.888 176.094 -1.119 0.000 1.051 438 V CA 1.174 62.861 62.300 -1.023 0.000 1.036 438 V CB -0.479 30.561 31.823 -1.304 0.000 0.654 438 V HN 0.067 nan 8.190 nan 0.000 0.451 439 V N 0.218 119.437 119.914 -1.160 0.000 2.220 439 V HA -0.308 3.812 4.120 0.001 0.000 0.246 439 V C 2.670 178.478 176.094 -0.477 0.000 1.049 439 V CA 2.520 64.233 62.300 -0.978 0.000 1.003 439 V CB -0.968 30.451 31.823 -0.674 0.000 0.634 439 V HN 0.580 nan 8.190 nan 0.000 0.444 440 K N 0.533 120.720 120.400 -0.355 0.000 2.127 440 K HA -0.229 4.092 4.320 0.001 0.000 0.208 440 K C 1.648 178.145 176.600 -0.172 0.000 1.047 440 K CA 2.175 58.339 56.287 -0.204 0.000 0.927 440 K CB -0.892 31.504 32.500 -0.173 0.000 0.716 440 K HN 0.714 nan 8.250 nan 0.000 0.450 441 N N 0.918 119.473 118.700 -0.241 0.000 2.398 441 N HA 0.019 4.760 4.740 0.001 0.000 0.188 441 N C 0.399 175.851 175.510 -0.096 0.000 1.122 441 N CA 0.707 53.658 53.050 -0.166 0.000 0.866 441 N CB -0.527 37.838 38.487 -0.202 0.000 0.970 441 N HN 0.535 nan 8.380 nan 0.000 0.462 442 N N 0.438 119.078 118.700 -0.099 0.000 2.708 442 N HA -0.197 4.544 4.740 0.001 0.000 0.251 442 N C 0.043 175.682 175.510 0.214 0.000 1.017 442 N CA 1.157 54.309 53.050 0.170 0.000 0.742 442 N CB -1.046 37.607 38.487 0.277 0.000 0.943 442 N HN 0.544 nan 8.380 nan 0.000 0.539 443 G N -2.049 106.701 108.800 -0.083 0.000 2.333 443 G HA2 0.312 4.272 3.960 0.001 0.000 0.288 443 G HA3 0.312 4.272 3.960 0.001 0.000 0.288 443 G C -1.441 173.353 174.900 -0.176 0.000 1.286 443 G CA -0.561 44.587 45.100 0.079 0.000 0.865 443 G HN 0.241 nan 8.290 nan 0.000 0.506 444 L N 1.366 122.533 121.223 -0.093 0.000 2.312 444 L HA 0.530 4.871 4.340 0.001 0.000 0.281 444 L C 0.889 177.677 176.870 -0.137 0.000 1.070 444 L CA -0.758 54.001 54.840 -0.135 0.000 0.805 444 L CB 1.434 43.452 42.059 -0.069 0.000 1.174 444 L HN 0.883 nan 8.230 nan 0.000 0.434 445 E N 0.000 120.133 120.200 -0.111 0.000 2.725 445 E HA 0.000 4.350 4.350 0.001 0.000 0.291 445 E CA 0.000 56.347 56.400 -0.088 0.000 0.976 445 E CB 0.000 29.648 29.700 -0.086 0.000 0.812 445 E HN 0.000 nan 8.360 nan 0.000 0.440