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 3iwk_1_B DATA FIRST_RESID 7 DATA SEQUENCE SRQLFIDGEW RVPILNKRIP NINPSTENII GDIPAATKED VDLAVDAAKR DATA SEQUENCE AISRKNGRDW SAASGSLRAR YLRAIAAKIK EKKDELGKLE SIDCGKPLEE DATA SEQUENCE ALADLDDVVA CFEYYAGLAE ELDSKQKAPI SLPMDTFKSY ILKEPIGVVA DATA SEQUENCE LITPWNYPFL MATWKIAPAL AAGCAAILKP SELASVTCLE LGEICKEVGL DATA SEQUENCE PRGVLNIVTG LGHEAGASLA SHPDVDKISF TGSSATGSKI MTTAAQLVKP DATA SEQUENCE VSLELGGKSP IVVFEDVDLD KVAEWTVFGC FFTNGQICSA TSRLIVHESI DATA SEQUENCE AVEFVDKLVK WAENIKISDP LEEGCRLGPI VSEAQYKKVL NCISSAKSEG DATA SEQUENCE ATILTGGRRP EHLKKGYFVE PTIITDVTTS MQIWREEVFG PVLAVKTFST DATA SEQUENCE EEEAINLAND THYGLGSAVM SNDLERCERL SKALQAGIVW INCAQPSFIQ DATA SEQUENCE APWGGIKRSG FGRELGEWGL ENYLSVKQVT RYTSDEPWGW YQPPSK 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 7 S HA 0.000 nan 4.470 nan 0.000 0.327 7 S C 0.000 174.474 174.600 -0.210 0.000 1.055 7 S CA 0.000 58.117 58.200 -0.139 0.000 1.107 7 S CB 0.000 63.136 63.200 -0.107 0.000 0.593 8 R N 1.683 122.042 120.500 -0.236 0.000 2.797 8 R HA 0.680 5.021 4.340 0.001 0.000 0.251 8 R C -0.204 175.987 176.300 -0.182 0.000 1.107 8 R CA -0.912 54.956 56.100 -0.388 0.000 1.084 8 R CB 0.714 30.692 30.300 -0.536 0.000 1.205 8 R HN 0.481 nan 8.270 nan 0.000 0.515 9 Q N -0.030 119.707 119.800 -0.105 0.000 2.934 9 Q HA 0.482 4.822 4.340 0.001 0.000 0.219 9 Q C -0.582 175.645 176.000 0.377 0.000 1.024 9 Q CA -0.636 55.262 55.803 0.158 0.000 0.928 9 Q CB 0.802 29.661 28.738 0.201 0.000 1.594 9 Q HN 0.336 nan 8.270 nan 0.000 0.485 10 L N 1.066 122.482 121.223 0.322 0.000 2.417 10 L HA 0.295 4.636 4.340 0.001 0.000 0.268 10 L C -0.481 176.607 176.870 0.363 0.000 1.158 10 L CA -0.183 54.832 54.840 0.292 0.000 0.819 10 L CB 0.250 42.397 42.059 0.148 0.000 1.112 10 L HN 0.445 nan 8.230 nan 0.000 0.458 11 F N 4.428 124.406 119.950 0.046 0.000 2.308 11 F HA 0.568 5.096 4.527 0.001 0.000 0.370 11 F C -0.407 175.288 175.800 -0.175 0.000 1.100 11 F CA -0.511 57.346 58.000 -0.238 0.000 1.108 11 F CB 0.370 39.117 39.000 -0.421 0.000 1.293 11 F HN 0.152 nan 8.300 nan 0.000 0.478 12 I N 5.377 125.618 120.570 -0.548 0.000 2.499 12 I HA 0.221 4.392 4.170 0.001 0.000 0.288 12 I C -0.390 175.406 176.117 -0.536 0.000 1.048 12 I CA -0.841 60.203 61.300 -0.427 0.000 1.062 12 I CB 1.770 39.652 38.000 -0.198 0.000 1.238 12 I HN 0.386 nan 8.210 nan 0.000 0.426 13 D N 4.981 125.088 120.400 -0.488 0.000 2.772 13 D HA -0.187 4.454 4.640 0.001 0.000 0.233 13 D C 1.061 177.065 176.300 -0.492 0.000 1.143 13 D CA 1.780 55.541 54.000 -0.397 0.000 0.700 13 D CB -0.709 39.940 40.800 -0.252 0.000 1.076 13 D HN 1.158 nan 8.370 nan 0.000 0.430 14 G N -0.960 107.333 108.800 -0.846 0.000 2.148 14 G HA2 -0.286 3.674 3.960 0.001 0.000 0.254 14 G HA3 -0.286 3.674 3.960 0.001 0.000 0.254 14 G C -0.031 174.482 174.900 -0.645 0.000 0.981 14 G CA 0.670 45.312 45.100 -0.764 0.000 0.670 14 G HN 0.476 nan 8.290 nan 0.000 0.528 15 E N -1.325 118.421 120.200 -0.757 0.000 2.369 15 E HA 0.509 4.859 4.350 0.001 0.000 0.270 15 E C -0.667 175.714 176.600 -0.365 0.000 0.909 15 E CA -1.091 55.065 56.400 -0.406 0.000 0.775 15 E CB 0.828 30.414 29.700 -0.191 0.000 1.270 15 E HN 0.286 nan 8.360 nan 0.000 0.445 16 W N 1.728 123.073 121.300 0.075 0.000 2.345 16 W HA 0.309 4.969 4.660 0.001 0.000 0.308 16 W C 0.655 177.190 176.519 0.026 0.000 1.273 16 W CA -0.474 56.928 57.345 0.094 0.000 1.243 16 W CB 0.754 30.274 29.460 0.099 0.000 1.260 16 W HN -0.117 nan 8.180 nan 0.000 0.509 17 R N 2.463 123.111 120.500 0.247 0.000 2.628 17 R HA 0.396 4.736 4.340 0.001 0.000 0.288 17 R C -0.958 175.417 176.300 0.126 0.000 0.980 17 R CA -1.207 54.970 56.100 0.129 0.000 0.891 17 R CB 1.497 31.825 30.300 0.046 0.000 1.188 17 R HN 0.244 nan 8.270 nan 0.000 0.450 18 V N 4.375 124.342 119.914 0.088 0.000 2.655 18 V HA 0.103 4.224 4.120 0.001 0.000 0.300 18 V C -1.801 174.324 176.094 0.051 0.000 1.044 18 V CA -1.196 61.142 62.300 0.065 0.000 1.095 18 V CB 0.476 32.325 31.823 0.043 0.000 0.952 18 V HN 0.541 nan 8.190 nan 0.000 0.485 19 P HA 0.039 nan 4.420 nan 0.000 0.264 19 P C 1.076 178.393 177.300 0.028 0.000 1.183 19 P CA -0.071 63.052 63.100 0.037 0.000 0.763 19 P CB 0.350 32.071 31.700 0.034 0.000 0.807 20 I N 2.583 123.168 120.570 0.025 0.000 2.185 20 I HA -0.226 3.944 4.170 0.001 0.000 0.246 20 I C 1.695 177.823 176.117 0.019 0.000 1.088 20 I CA 1.932 63.244 61.300 0.020 0.000 1.347 20 I CB -1.122 36.889 38.000 0.019 0.000 1.041 20 I HN 0.366 nan 8.210 nan 0.000 0.415 21 L N 0.258 121.493 121.223 0.019 0.000 2.592 21 L HA 0.078 4.418 4.340 0.001 0.000 0.227 21 L C 0.917 177.797 176.870 0.016 0.000 1.127 21 L CA 0.348 55.198 54.840 0.018 0.000 0.884 21 L CB -1.385 40.686 42.059 0.019 0.000 1.065 21 L HN 0.342 nan 8.230 nan 0.000 0.457 22 N N -0.156 118.555 118.700 0.018 0.000 2.741 22 N HA -0.250 4.490 4.740 0.001 0.000 0.250 22 N C 0.005 175.523 175.510 0.013 0.000 1.115 22 N CA 0.772 53.831 53.050 0.016 0.000 0.724 22 N CB -0.756 37.739 38.487 0.013 0.000 1.090 22 N HN 0.330 nan 8.380 nan 0.000 0.558 23 K N 0.307 120.715 120.400 0.014 0.000 2.098 23 K HA 0.494 4.815 4.320 0.001 0.000 0.261 23 K C 0.175 176.780 176.600 0.009 0.000 0.987 23 K CA -0.423 55.871 56.287 0.011 0.000 0.916 23 K CB 1.227 33.734 32.500 0.012 0.000 1.039 23 K HN 0.125 nan 8.250 nan 0.000 0.455 24 R N 1.369 121.871 120.500 0.004 0.000 2.837 24 R HA 0.513 4.853 4.340 0.001 0.000 0.271 24 R C -0.757 175.542 176.300 -0.002 0.000 0.993 24 R CA -0.889 55.212 56.100 0.001 0.000 0.931 24 R CB 1.536 31.834 30.300 -0.003 0.000 1.206 24 R HN 0.464 nan 8.270 nan 0.000 0.474 25 I N 3.341 123.908 120.570 -0.005 0.000 2.406 25 I HA 0.312 4.482 4.170 0.001 0.000 0.290 25 I C -2.036 174.074 176.117 -0.012 0.000 0.999 25 I CA -2.413 58.882 61.300 -0.008 0.000 1.124 25 I CB 2.137 40.131 38.000 -0.009 0.000 1.289 25 I HN 0.256 nan 8.210 nan 0.000 0.441 26 P HA 0.014 nan 4.420 nan 0.000 0.268 26 P C -1.114 176.172 177.300 -0.023 0.000 1.208 26 P CA -0.172 62.918 63.100 -0.018 0.000 0.777 26 P CB 0.701 32.392 31.700 -0.015 0.000 0.875 27 N N 1.789 120.473 118.700 -0.027 0.000 2.399 27 N HA 0.304 5.045 4.740 0.001 0.000 0.280 27 N C -1.096 174.394 175.510 -0.033 0.000 1.008 27 N CA -0.582 52.448 53.050 -0.032 0.000 0.894 27 N CB 0.432 38.898 38.487 -0.034 0.000 1.273 27 N HN 0.112 nan 8.380 nan 0.000 0.486 28 I N 2.134 122.684 120.570 -0.033 0.000 2.392 28 I HA 0.274 4.444 4.170 0.001 0.000 0.295 28 I C 0.572 176.667 176.117 -0.037 0.000 0.985 28 I CA -0.691 60.595 61.300 -0.023 0.000 1.221 28 I CB 0.843 38.852 38.000 0.015 0.000 1.366 28 I HN 0.594 nan 8.210 nan 0.000 0.467 29 N N 7.956 126.623 118.700 -0.055 0.000 2.442 29 N HA 0.182 4.922 4.740 0.001 0.000 0.265 29 N C -1.547 173.890 175.510 -0.121 0.000 1.138 29 N CA -1.137 51.865 53.050 -0.081 0.000 0.956 29 N CB 1.236 39.672 38.487 -0.084 0.000 1.067 29 N HN 0.347 nan 8.380 nan 0.000 0.474 30 P HA -0.086 nan 4.420 nan 0.000 0.223 30 P C 0.335 177.361 177.300 -0.457 0.000 1.151 30 P CA 0.945 63.953 63.100 -0.154 0.000 0.787 30 P CB 0.224 31.867 31.700 -0.095 0.000 0.788 31 S N -1.388 114.120 115.700 -0.320 0.000 2.524 31 S HA 0.012 4.482 4.470 0.001 0.000 0.216 31 S C 1.645 176.167 174.600 -0.131 0.000 0.987 31 S CA 1.018 59.080 58.200 -0.230 0.000 0.909 31 S CB -1.033 62.186 63.200 0.032 0.000 0.781 31 S HN 0.322 nan 8.310 nan 0.000 0.521 32 T N -1.410 113.021 114.554 -0.205 0.000 2.958 32 T HA 0.324 4.675 4.350 0.001 0.000 0.256 32 T C 0.328 174.889 174.700 -0.231 0.000 0.983 32 T CA 0.317 62.316 62.100 -0.168 0.000 0.924 32 T CB -0.291 68.517 68.868 -0.099 0.000 1.136 32 T HN 0.317 nan 8.240 nan 0.000 0.506 33 E N 0.901 120.906 120.200 -0.325 0.000 3.496 33 E HA -0.145 4.206 4.350 0.001 0.000 0.300 33 E C -0.873 175.662 176.600 -0.109 0.000 0.877 33 E CA 0.395 56.636 56.400 -0.265 0.000 1.050 33 E CB -1.482 28.035 29.700 -0.305 0.000 1.532 33 E HN 0.543 nan 8.360 nan 0.000 0.447 34 N N 0.541 119.183 118.700 -0.096 0.000 2.487 34 N HA 0.362 5.103 4.740 0.001 0.000 0.292 34 N C 0.080 175.563 175.510 -0.046 0.000 1.108 34 N CA -0.413 52.601 53.050 -0.060 0.000 0.956 34 N CB 0.797 39.249 38.487 -0.058 0.000 1.176 34 N HN 0.047 nan 8.380 nan 0.000 0.484 35 I N 1.822 122.372 120.570 -0.034 0.000 2.581 35 I HA -0.042 4.129 4.170 0.001 0.000 0.285 35 I C 1.167 177.264 176.117 -0.034 0.000 1.129 35 I CA 0.264 61.546 61.300 -0.029 0.000 1.397 35 I CB 0.330 38.316 38.000 -0.023 0.000 1.399 35 I HN 0.451 nan 8.210 nan 0.000 0.537 36 I N 5.113 125.661 120.570 -0.036 0.000 4.081 36 I HA 0.432 4.602 4.170 0.001 0.000 0.333 36 I C 0.595 176.689 176.117 -0.039 0.000 1.413 36 I CA 0.311 61.588 61.300 -0.039 0.000 1.110 36 I CB 0.095 38.069 38.000 -0.043 0.000 1.082 36 I HN 0.718 nan 8.210 nan 0.000 0.402 37 G N 0.186 108.965 108.800 -0.036 0.000 2.345 37 G HA2 0.357 4.318 3.960 0.001 0.000 0.285 37 G HA3 0.357 4.318 3.960 0.001 0.000 0.285 37 G C -2.198 172.682 174.900 -0.033 0.000 1.297 37 G CA -0.130 44.947 45.100 -0.037 0.000 0.875 37 G HN 0.171 nan 8.290 nan 0.000 0.506 38 D N -1.492 118.888 120.400 -0.034 0.000 2.599 38 D HA 0.629 5.270 4.640 0.001 0.000 0.252 38 D C -0.360 175.924 176.300 -0.027 0.000 1.232 38 D CA -0.386 53.598 54.000 -0.027 0.000 0.819 38 D CB 1.565 42.351 40.800 -0.023 0.000 1.401 38 D HN 1.284 nan 8.370 nan 0.000 0.429 39 I N -4.055 116.506 120.570 -0.016 0.000 2.740 39 I HA 0.671 4.842 4.170 0.001 0.000 0.303 39 I C -2.738 173.382 176.117 0.004 0.000 1.044 39 I CA -2.678 58.618 61.300 -0.007 0.000 1.064 39 I CB 2.655 40.657 38.000 0.003 0.000 1.249 39 I HN 0.016 nan 8.210 nan 0.000 0.433 40 P HA 0.151 nan 4.420 nan 0.000 0.271 40 P C -0.777 176.541 177.300 0.029 0.000 1.216 40 P CA -0.136 62.982 63.100 0.029 0.000 0.776 40 P CB 1.162 32.895 31.700 0.055 0.000 0.881 41 A N 3.010 125.842 122.820 0.020 0.000 2.540 41 A HA 0.585 4.906 4.320 0.001 0.000 0.340 41 A C 0.548 178.142 177.584 0.016 0.000 1.424 41 A CA -0.655 51.389 52.037 0.011 0.000 0.940 41 A CB -0.329 18.671 19.000 0.001 0.000 1.149 41 A HN 0.605 nan 8.150 nan 0.000 0.505 42 A N 2.085 124.918 122.820 0.023 0.000 2.386 42 A HA 0.648 4.968 4.320 0.001 0.000 0.248 42 A C 0.616 178.210 177.584 0.017 0.000 1.082 42 A CA 0.281 52.334 52.037 0.027 0.000 0.789 42 A CB 0.408 19.431 19.000 0.037 0.000 1.025 42 A HN 0.728 nan 8.150 nan 0.000 0.490 43 T N -0.872 113.696 114.554 0.024 0.000 2.864 43 T HA 0.369 4.719 4.350 0.001 0.000 0.289 43 T C 1.299 176.019 174.700 0.035 0.000 1.082 43 T CA -0.174 61.941 62.100 0.024 0.000 1.009 43 T CB 1.518 70.400 68.868 0.024 0.000 1.234 43 T HN 0.745 nan 8.240 nan 0.000 0.526 44 K N 1.011 121.435 120.400 0.040 0.000 2.107 44 K HA -0.188 4.133 4.320 0.001 0.000 0.211 44 K C 1.628 178.260 176.600 0.054 0.000 1.049 44 K CA 2.473 58.790 56.287 0.050 0.000 0.927 44 K CB -0.174 32.351 32.500 0.042 0.000 0.714 44 K HN 0.543 nan 8.250 nan 0.000 0.452 45 E N 0.498 120.722 120.200 0.040 0.000 2.110 45 E HA -0.152 4.199 4.350 0.001 0.000 0.193 45 E C 1.664 178.285 176.600 0.035 0.000 0.988 45 E CA 1.610 58.032 56.400 0.037 0.000 0.804 45 E CB -0.094 29.622 29.700 0.027 0.000 0.745 45 E HN 0.455 nan 8.360 nan 0.000 0.458 46 D N -0.034 120.384 120.400 0.031 0.000 2.149 46 D HA -0.086 4.554 4.640 0.001 0.000 0.201 46 D C 1.980 178.292 176.300 0.021 0.000 0.972 46 D CA 0.728 54.742 54.000 0.023 0.000 0.835 46 D CB -0.041 40.776 40.800 0.027 0.000 0.966 46 D HN 0.064 nan 8.370 nan 0.000 0.476 47 V N 1.976 121.913 119.914 0.038 0.000 2.407 47 V HA -0.206 3.915 4.120 0.001 0.000 0.248 47 V C 1.921 178.036 176.094 0.035 0.000 1.055 47 V CA 1.643 63.967 62.300 0.039 0.000 1.049 47 V CB -0.380 31.486 31.823 0.071 0.000 0.662 47 V HN 0.016 nan 8.190 nan 0.000 0.455 48 D N 0.147 120.602 120.400 0.092 0.000 2.117 48 D HA -0.132 4.508 4.640 0.001 0.000 0.197 48 D C 2.130 178.445 176.300 0.026 0.000 0.987 48 D CA 1.222 55.299 54.000 0.128 0.000 0.829 48 D CB -0.246 40.641 40.800 0.146 0.000 0.961 48 D HN 0.342 nan 8.370 nan 0.000 0.460 49 L N 0.434 121.660 121.223 0.004 0.000 2.093 49 L HA -0.121 4.219 4.340 0.001 0.000 0.208 49 L C 2.492 179.322 176.870 -0.067 0.000 1.085 49 L CA 1.100 55.924 54.840 -0.028 0.000 0.755 49 L CB -0.389 41.655 42.059 -0.025 0.000 0.904 49 L HN -0.018 nan 8.230 nan 0.000 0.435 50 A N -0.387 122.390 122.820 -0.072 0.000 1.898 50 A HA -0.105 4.215 4.320 0.001 0.000 0.216 50 A C 2.306 179.813 177.584 -0.127 0.000 1.181 50 A CA 1.473 53.452 52.037 -0.098 0.000 0.620 50 A CB -0.669 18.290 19.000 -0.067 0.000 0.819 50 A HN 0.181 nan 8.150 nan 0.000 0.442 51 V N 0.655 120.463 119.914 -0.177 0.000 2.358 51 V HA -0.215 3.906 4.120 0.001 0.000 0.246 51 V C 2.131 178.111 176.094 -0.190 0.000 1.047 51 V CA 2.179 64.316 62.300 -0.272 0.000 1.035 51 V CB -0.869 30.549 31.823 -0.675 0.000 0.658 51 V HN 0.463 nan 8.190 nan 0.000 0.452 52 D N 0.799 121.119 120.400 -0.133 0.000 2.104 52 D HA -0.161 4.479 4.640 0.001 0.000 0.194 52 D C 2.228 178.484 176.300 -0.074 0.000 0.994 52 D CA 1.787 55.748 54.000 -0.066 0.000 0.830 52 D CB -0.415 40.368 40.800 -0.028 0.000 0.959 52 D HN 0.438 nan 8.370 nan 0.000 0.452 53 A N 0.882 123.644 122.820 -0.096 0.000 1.902 53 A HA -0.035 4.286 4.320 0.001 0.000 0.217 53 A C 2.308 179.822 177.584 -0.116 0.000 1.181 53 A CA 2.251 54.220 52.037 -0.115 0.000 0.623 53 A CB -0.757 18.151 19.000 -0.153 0.000 0.818 53 A HN 0.238 nan 8.150 nan 0.000 0.443 54 A N -0.398 122.354 122.820 -0.115 0.000 1.877 54 A HA -0.166 4.154 4.320 0.001 0.000 0.216 54 A C 2.161 179.708 177.584 -0.062 0.000 1.186 54 A CA 1.835 53.814 52.037 -0.097 0.000 0.620 54 A CB -0.437 18.510 19.000 -0.088 0.000 0.822 54 A HN 0.348 nan 8.150 nan 0.000 0.443 55 K N -0.273 120.094 120.400 -0.054 0.000 2.044 55 K HA -0.144 4.177 4.320 0.001 0.000 0.210 55 K C 2.200 178.789 176.600 -0.018 0.000 1.049 55 K CA 1.660 57.933 56.287 -0.024 0.000 0.927 55 K CB -0.331 32.159 32.500 -0.017 0.000 0.713 55 K HN 0.493 nan 8.250 nan 0.000 0.443 56 R N -0.138 120.342 120.500 -0.034 0.000 2.115 56 R HA -0.059 4.281 4.340 0.001 0.000 0.230 56 R C 2.279 178.560 176.300 -0.031 0.000 1.111 56 R CA 1.041 57.123 56.100 -0.030 0.000 0.976 56 R CB -0.259 30.016 30.300 -0.042 0.000 0.870 56 R HN 0.167 nan 8.270 nan 0.000 0.445 57 A N 1.695 124.484 122.820 -0.052 0.000 1.972 57 A HA -0.129 4.191 4.320 0.001 0.000 0.219 57 A C 2.148 179.739 177.584 0.011 0.000 1.169 57 A CA 1.320 53.322 52.037 -0.059 0.000 0.635 57 A CB -0.514 18.405 19.000 -0.135 0.000 0.810 57 A HN 0.468 nan 8.150 nan 0.000 0.446 58 I N -2.464 118.125 120.570 0.031 0.000 2.584 58 I HA -0.031 4.139 4.170 0.001 0.000 0.255 58 I C 2.092 178.245 176.117 0.060 0.000 1.145 58 I CA 1.569 62.914 61.300 0.077 0.000 1.462 58 I CB -0.218 37.830 38.000 0.081 0.000 1.102 58 I HN 0.241 nan 8.210 nan 0.000 0.433 59 S N 0.905 116.626 115.700 0.035 0.000 2.486 59 S HA 0.068 4.538 4.470 0.001 0.000 0.220 59 S C 1.342 175.958 174.600 0.026 0.000 1.011 59 S CA -0.352 57.866 58.200 0.030 0.000 0.921 59 S CB -0.467 62.745 63.200 0.021 0.000 0.785 59 S HN 0.474 nan 8.310 nan 0.000 0.517 60 R N 2.601 123.114 120.500 0.022 0.000 2.485 60 R HA -0.011 4.330 4.340 0.001 0.000 0.304 60 R C -0.403 175.915 176.300 0.031 0.000 0.934 60 R CA 0.564 56.675 56.100 0.019 0.000 1.102 60 R CB -0.303 30.002 30.300 0.008 0.000 0.906 60 R HN 0.320 nan 8.270 nan 0.000 0.407 61 K N 3.886 124.301 120.400 0.025 0.000 3.148 61 K HA -0.337 3.984 4.320 0.001 0.000 0.267 61 K C -0.374 176.246 176.600 0.032 0.000 0.996 61 K CA 0.911 57.214 56.287 0.028 0.000 0.737 61 K CB -1.127 31.393 32.500 0.033 0.000 1.308 61 K HN 0.925 nan 8.250 nan 0.000 0.470 62 N N -1.180 117.538 118.700 0.029 0.000 2.693 62 N HA -0.236 4.504 4.740 0.001 0.000 0.249 62 N C 0.686 176.219 175.510 0.038 0.000 1.119 62 N CA 2.179 55.247 53.050 0.030 0.000 0.717 62 N CB -1.178 37.324 38.487 0.025 0.000 1.071 62 N HN 0.885 nan 8.380 nan 0.000 0.555 63 G N -1.274 107.556 108.800 0.050 0.000 2.168 63 G HA2 -0.422 3.538 3.960 0.001 0.000 0.263 63 G HA3 -0.422 3.538 3.960 0.001 0.000 0.263 63 G C 1.010 175.953 174.900 0.072 0.000 0.977 63 G CA 0.711 45.852 45.100 0.069 0.000 0.659 63 G HN 0.577 nan 8.290 nan 0.000 0.533 64 R N -0.225 120.311 120.500 0.059 0.000 2.189 64 R HA -0.002 4.338 4.340 0.001 0.000 0.223 64 R C 1.644 177.994 176.300 0.083 0.000 1.092 64 R CA 1.291 57.424 56.100 0.054 0.000 0.989 64 R CB -0.095 30.230 30.300 0.043 0.000 0.876 64 R HN 0.369 nan 8.270 nan 0.000 0.457 65 D N -1.625 118.845 120.400 0.117 0.000 2.289 65 D HA -0.114 4.527 4.640 0.001 0.000 0.207 65 D C 1.109 177.589 176.300 0.300 0.000 0.966 65 D CA 0.818 54.920 54.000 0.171 0.000 0.868 65 D CB 0.288 41.168 40.800 0.134 0.000 0.943 65 D HN 0.359 nan 8.370 nan 0.000 0.514 66 W N -0.097 121.204 121.300 0.003 0.000 5.120 66 W HA -0.092 4.569 4.660 0.001 0.000 0.169 66 W C 1.882 178.405 176.519 0.008 0.000 3.038 66 W CA 0.639 57.981 57.345 -0.005 0.000 1.923 66 W CB -0.360 29.074 29.460 -0.043 0.000 1.318 66 W HN -0.089 nan 8.180 nan 0.000 0.926 67 S N 1.372 117.163 115.700 0.151 0.000 2.402 67 S HA 0.034 4.504 4.470 0.001 0.000 0.229 67 S C 1.452 176.034 174.600 -0.030 0.000 1.021 67 S CA 1.325 59.549 58.200 0.040 0.000 0.974 67 S CB -0.329 62.955 63.200 0.140 0.000 0.800 67 S HN 0.259 nan 8.310 nan 0.000 0.484 68 A N 0.670 123.487 122.820 -0.004 0.000 2.390 68 A HA 0.799 5.119 4.320 0.001 0.000 0.232 68 A C 1.028 178.594 177.584 -0.031 0.000 1.233 68 A CA 0.130 52.160 52.037 -0.012 0.000 0.907 68 A CB -0.459 18.549 19.000 0.014 0.000 0.967 68 A HN 0.746 nan 8.150 nan 0.000 0.512 69 A N 0.661 123.449 122.820 -0.055 0.000 2.366 69 A HA 0.512 4.833 4.320 0.001 0.000 0.250 69 A C 1.006 178.529 177.584 -0.101 0.000 1.099 69 A CA 0.421 52.419 52.037 -0.064 0.000 0.794 69 A CB -0.127 18.834 19.000 -0.066 0.000 1.056 69 A HN 1.137 nan 8.150 nan 0.000 0.499 70 S N -0.043 115.609 115.700 -0.079 0.000 2.603 70 S HA 0.396 4.867 4.470 0.001 0.000 0.268 70 S C 1.301 175.828 174.600 -0.121 0.000 1.317 70 S CA -0.040 58.110 58.200 -0.083 0.000 1.012 70 S CB 0.941 64.108 63.200 -0.056 0.000 0.926 70 S HN 1.428 nan 8.310 nan 0.000 0.539 71 G N 0.969 109.703 108.800 -0.111 0.000 2.448 71 G HA2 -0.165 3.796 3.960 0.001 0.000 0.219 71 G HA3 -0.165 3.796 3.960 0.001 0.000 0.219 71 G C 1.554 176.397 174.900 -0.095 0.000 1.127 71 G CA 0.828 45.855 45.100 -0.122 0.000 0.766 71 G HN 1.012 nan 8.290 nan 0.000 0.552 72 S N 0.454 116.113 115.700 -0.068 0.000 2.399 72 S HA -0.049 4.422 4.470 0.001 0.000 0.231 72 S C 2.235 176.812 174.600 -0.039 0.000 1.022 72 S CA 1.070 59.242 58.200 -0.047 0.000 0.983 72 S CB -0.325 62.851 63.200 -0.040 0.000 0.803 72 S HN 0.312 nan 8.310 nan 0.000 0.480 73 L N 1.539 122.737 121.223 -0.042 0.000 2.017 73 L HA -0.059 4.282 4.340 0.001 0.000 0.208 73 L C 2.793 179.706 176.870 0.073 0.000 1.073 73 L CA 1.483 56.328 54.840 0.008 0.000 0.745 73 L CB -0.235 41.843 42.059 0.030 0.000 0.894 73 L HN 0.169 nan 8.230 nan 0.000 0.432 74 R N -0.334 120.110 120.500 -0.094 0.000 2.092 74 R HA -0.109 4.231 4.340 0.001 0.000 0.231 74 R C 2.334 178.704 176.300 0.116 0.000 1.119 74 R CA 1.095 57.116 56.100 -0.131 0.000 0.970 74 R CB -0.637 29.294 30.300 -0.615 0.000 0.864 74 R HN 0.536 nan 8.270 nan 0.000 0.440 75 A N 1.701 124.544 122.820 0.038 0.000 1.892 75 A HA -0.232 4.088 4.320 0.001 0.000 0.218 75 A C 2.103 179.731 177.584 0.073 0.000 1.188 75 A CA 1.492 53.566 52.037 0.062 0.000 0.631 75 A CB -0.454 18.553 19.000 0.011 0.000 0.822 75 A HN 0.253 nan 8.150 nan 0.000 0.447 76 R N -1.988 118.523 120.500 0.018 0.000 2.091 76 R HA -0.180 4.161 4.340 0.001 0.000 0.238 76 R C 2.068 178.334 176.300 -0.056 0.000 1.136 76 R CA 1.855 57.916 56.100 -0.065 0.000 0.959 76 R CB -0.580 29.612 30.300 -0.181 0.000 0.856 76 R HN 0.670 nan 8.270 nan 0.000 0.437 77 Y N 1.064 121.436 120.300 0.120 0.000 2.145 77 Y HA -0.168 4.383 4.550 0.001 0.000 0.286 77 Y C 2.305 178.264 175.900 0.099 0.000 1.145 77 Y CA 1.207 59.393 58.100 0.144 0.000 1.148 77 Y CB -0.471 38.166 38.460 0.295 0.000 0.981 77 Y HN -0.032 nan 8.280 nan 0.000 0.507 78 L N -0.559 120.845 121.223 0.302 0.000 2.046 78 L HA -0.245 4.095 4.340 0.001 0.000 0.208 78 L C 2.480 179.424 176.870 0.123 0.000 1.077 78 L CA 1.453 56.437 54.840 0.240 0.000 0.747 78 L CB -0.513 41.756 42.059 0.349 0.000 0.896 78 L HN 0.130 nan 8.230 nan 0.000 0.432 79 R N -0.151 120.415 120.500 0.110 0.000 2.081 79 R HA -0.116 4.224 4.340 0.001 0.000 0.235 79 R C 2.449 178.763 176.300 0.024 0.000 1.131 79 R CA 1.276 57.416 56.100 0.067 0.000 0.960 79 R CB -0.494 29.834 30.300 0.046 0.000 0.856 79 R HN 0.362 nan 8.270 nan 0.000 0.436 80 A N 1.174 124.002 122.820 0.012 0.000 1.933 80 A HA -0.129 4.191 4.320 0.001 0.000 0.218 80 A C 2.131 179.697 177.584 -0.030 0.000 1.175 80 A CA 1.160 53.195 52.037 -0.003 0.000 0.628 80 A CB -0.417 18.583 19.000 0.001 0.000 0.814 80 A HN 0.169 nan 8.150 nan 0.000 0.444 81 I N -0.253 120.265 120.570 -0.087 0.000 2.179 81 I HA -0.273 3.898 4.170 0.001 0.000 0.242 81 I C 3.007 178.974 176.117 -0.251 0.000 1.088 81 I CA 0.994 62.148 61.300 -0.244 0.000 1.357 81 I CB -0.401 37.270 38.000 -0.549 0.000 1.051 81 I HN 0.352 nan 8.210 nan 0.000 0.409 82 A N 0.925 123.624 122.820 -0.201 0.000 1.873 82 A HA -0.293 4.028 4.320 0.001 0.000 0.218 82 A C 2.547 180.144 177.584 0.023 0.000 1.193 82 A CA 2.389 54.414 52.037 -0.019 0.000 0.629 82 A CB -1.100 17.964 19.000 0.105 0.000 0.826 82 A HN 0.459 nan 8.150 nan 0.000 0.447 83 A N -0.787 122.042 122.820 0.015 0.000 1.908 83 A HA -0.170 4.150 4.320 0.001 0.000 0.218 83 A C 2.120 179.720 177.584 0.027 0.000 1.181 83 A CA 1.893 53.946 52.037 0.027 0.000 0.627 83 A CB -0.374 18.637 19.000 0.019 0.000 0.818 83 A HN 0.406 nan 8.150 nan 0.000 0.445 84 K N -0.099 120.307 120.400 0.010 0.000 2.026 84 K HA -0.086 4.235 4.320 0.001 0.000 0.208 84 K C 1.924 178.553 176.600 0.048 0.000 1.048 84 K CA 1.236 57.535 56.287 0.020 0.000 0.929 84 K CB -0.595 31.907 32.500 0.003 0.000 0.713 84 K HN 0.524 nan 8.250 nan 0.000 0.439 85 I N 1.356 121.966 120.570 0.067 0.000 2.163 85 I HA -0.280 3.890 4.170 0.001 0.000 0.243 85 I C 2.444 178.637 176.117 0.127 0.000 1.085 85 I CA 1.326 62.714 61.300 0.145 0.000 1.347 85 I CB -0.962 37.158 38.000 0.200 0.000 1.044 85 I HN 0.238 nan 8.210 nan 0.000 0.408 86 K N 1.127 121.587 120.400 0.101 0.000 2.103 86 K HA -0.209 4.111 4.320 0.001 0.000 0.207 86 K C 2.007 178.650 176.600 0.071 0.000 1.048 86 K CA 1.539 57.879 56.287 0.089 0.000 0.930 86 K CB 0.028 32.575 32.500 0.077 0.000 0.716 86 K HN 0.360 nan 8.250 nan 0.000 0.444 87 E N 0.199 120.434 120.200 0.058 0.000 2.058 87 E HA -0.176 4.175 4.350 0.001 0.000 0.194 87 E C 1.039 177.668 176.600 0.047 0.000 0.997 87 E CA 1.307 57.735 56.400 0.046 0.000 0.801 87 E CB 0.120 29.841 29.700 0.036 0.000 0.746 87 E HN 0.249 nan 8.360 nan 0.000 0.450 88 K N 0.740 121.173 120.400 0.056 0.000 2.437 88 K HA 0.038 4.358 4.320 0.001 0.000 0.205 88 K C 1.389 178.027 176.600 0.064 0.000 1.026 88 K CA -0.042 56.274 56.287 0.048 0.000 1.153 88 K CB 0.523 33.045 32.500 0.037 0.000 0.863 88 K HN -0.059 nan 8.250 nan 0.000 0.502 89 K N 1.460 121.909 120.400 0.082 0.000 2.063 89 K HA -0.170 4.151 4.320 0.001 0.000 0.208 89 K C 1.190 177.838 176.600 0.080 0.000 1.048 89 K CA 1.880 58.229 56.287 0.103 0.000 0.928 89 K CB -0.008 32.558 32.500 0.109 0.000 0.713 89 K HN -0.000 nan 8.250 nan 0.000 0.442 90 D N 0.191 120.626 120.400 0.058 0.000 2.144 90 D HA -0.152 4.488 4.640 0.001 0.000 0.200 90 D C 1.853 178.171 176.300 0.031 0.000 0.978 90 D CA 1.428 55.455 54.000 0.044 0.000 0.833 90 D CB -0.009 40.812 40.800 0.036 0.000 0.961 90 D HN 0.452 nan 8.370 nan 0.000 0.470 91 E N 1.066 121.280 120.200 0.024 0.000 2.051 91 E HA -0.112 4.238 4.350 0.001 0.000 0.192 91 E C 2.270 178.867 176.600 -0.005 0.000 0.991 91 E CA 0.788 57.191 56.400 0.005 0.000 0.799 91 E CB -0.335 29.364 29.700 -0.001 0.000 0.748 91 E HN 0.220 nan 8.360 nan 0.000 0.449 92 L N -0.493 120.733 121.223 0.005 0.000 2.156 92 L HA 0.051 4.391 4.340 0.001 0.000 0.208 92 L C 2.461 179.336 176.870 0.009 0.000 1.095 92 L CA 0.955 55.782 54.840 -0.021 0.000 0.770 92 L CB -0.614 41.440 42.059 -0.007 0.000 0.914 92 L HN 0.300 nan 8.230 nan 0.000 0.439 93 G N 0.045 108.873 108.800 0.047 0.000 2.421 93 G HA2 -0.285 3.675 3.960 0.001 0.000 0.216 93 G HA3 -0.285 3.675 3.960 0.001 0.000 0.216 93 G C 1.678 176.591 174.900 0.022 0.000 1.171 93 G CA 0.711 45.842 45.100 0.052 0.000 0.775 93 G HN 0.251 nan 8.290 nan 0.000 0.543 94 K N -0.377 120.029 120.400 0.011 0.000 2.026 94 K HA -0.057 4.263 4.320 0.001 0.000 0.208 94 K C 2.487 179.077 176.600 -0.016 0.000 1.048 94 K CA 0.968 57.254 56.287 -0.002 0.000 0.929 94 K CB -0.249 32.248 32.500 -0.004 0.000 0.713 94 K HN 0.190 nan 8.250 nan 0.000 0.439 95 L N 1.702 122.908 121.223 -0.028 0.000 2.042 95 L HA -0.165 4.176 4.340 0.001 0.000 0.210 95 L C 2.393 179.239 176.870 -0.041 0.000 1.076 95 L CA 1.763 56.576 54.840 -0.045 0.000 0.749 95 L CB -0.922 41.094 42.059 -0.071 0.000 0.893 95 L HN 0.279 nan 8.230 nan 0.000 0.432 96 E N -0.963 119.219 120.200 -0.030 0.000 2.077 96 E HA -0.167 4.183 4.350 0.001 0.000 0.193 96 E C 2.387 178.976 176.600 -0.018 0.000 0.989 96 E CA 1.521 57.913 56.400 -0.014 0.000 0.800 96 E CB -0.100 29.615 29.700 0.025 0.000 0.746 96 E HN 0.313 nan 8.360 nan 0.000 0.452 97 S N -0.484 115.205 115.700 -0.018 0.000 2.356 97 S HA -0.086 4.384 4.470 0.001 0.000 0.223 97 S C 1.892 176.470 174.600 -0.036 0.000 1.032 97 S CA 1.169 59.352 58.200 -0.027 0.000 1.005 97 S CB -0.282 62.908 63.200 -0.016 0.000 0.867 97 S HN 0.288 nan 8.310 nan 0.000 0.449 98 I N 1.257 121.807 120.570 -0.033 0.000 2.208 98 I HA -0.203 3.968 4.170 0.001 0.000 0.245 98 I C 2.309 178.398 176.117 -0.047 0.000 1.097 98 I CA 1.297 62.573 61.300 -0.040 0.000 1.363 98 I CB -0.325 37.652 38.000 -0.038 0.000 1.051 98 I HN 0.229 nan 8.210 nan 0.000 0.413 99 D N 0.319 120.694 120.400 -0.041 0.000 2.084 99 D HA -0.162 4.479 4.640 0.001 0.000 0.196 99 D C 2.197 178.474 176.300 -0.037 0.000 0.985 99 D CA 1.698 55.676 54.000 -0.037 0.000 0.826 99 D CB 0.050 40.834 40.800 -0.027 0.000 0.978 99 D HN 0.521 nan 8.370 nan 0.000 0.456 100 C N -2.456 116.826 119.300 -0.029 0.000 2.791 100 C HA 0.669 5.130 4.460 0.001 0.000 0.288 100 C C 1.878 176.832 174.990 -0.060 0.000 1.271 100 C CA 0.648 59.655 59.018 -0.018 0.000 1.726 100 C CB 0.220 27.981 27.740 0.035 0.000 2.145 100 C HN 0.421 nan 8.230 nan 0.000 0.572 101 G N 1.659 110.415 108.800 -0.074 0.000 2.176 101 G HA2 -0.201 3.759 3.960 0.001 0.000 0.232 101 G HA3 -0.201 3.759 3.960 0.001 0.000 0.232 101 G C -0.023 174.819 174.900 -0.097 0.000 0.986 101 G CA 0.316 45.358 45.100 -0.098 0.000 0.643 101 G HN 1.032 nan 8.290 nan 0.000 0.522 102 K N 0.596 120.931 120.400 -0.108 0.000 2.237 102 K HA 0.570 4.891 4.320 0.001 0.000 0.270 102 K C -2.524 174.022 176.600 -0.091 0.000 1.015 102 K CA -1.639 54.561 56.287 -0.145 0.000 0.949 102 K CB 0.891 33.252 32.500 -0.231 0.000 0.976 102 K HN 0.018 nan 8.250 nan 0.000 0.472 103 P HA -0.149 nan 4.420 nan 0.000 0.264 103 P C 0.499 177.791 177.300 -0.012 0.000 1.179 103 P CA -0.158 62.927 63.100 -0.025 0.000 0.763 103 P CB 0.327 32.020 31.700 -0.011 0.000 0.806 104 L N 4.102 125.333 121.223 0.012 0.000 2.079 104 L HA -0.193 4.148 4.340 0.001 0.000 0.210 104 L C 1.832 178.727 176.870 0.043 0.000 1.081 104 L CA 2.013 56.866 54.840 0.023 0.000 0.752 104 L CB -1.078 40.996 42.059 0.025 0.000 0.896 104 L HN 0.384 nan 8.230 nan 0.000 0.433 105 E N -0.805 119.429 120.200 0.058 0.000 2.268 105 E HA -0.193 4.158 4.350 0.001 0.000 0.195 105 E C 1.981 178.651 176.600 0.118 0.000 0.995 105 E CA 1.079 57.532 56.400 0.087 0.000 0.836 105 E CB 0.007 29.765 29.700 0.097 0.000 0.763 105 E HN 0.630 nan 8.360 nan 0.000 0.491 106 E N 0.418 120.671 120.200 0.089 0.000 2.046 106 E HA -0.130 4.221 4.350 0.001 0.000 0.190 106 E C 2.149 178.797 176.600 0.081 0.000 0.982 106 E CA 0.798 57.250 56.400 0.086 0.000 0.800 106 E CB -0.080 29.535 29.700 -0.142 0.000 0.756 106 E HN 0.215 nan 8.360 nan 0.000 0.449 107 A N 1.262 124.105 122.820 0.038 0.000 1.902 107 A HA -0.179 4.142 4.320 0.001 0.000 0.217 107 A C 2.107 179.750 177.584 0.099 0.000 1.181 107 A CA 1.084 53.157 52.037 0.059 0.000 0.623 107 A CB -0.466 18.553 19.000 0.032 0.000 0.818 107 A HN 0.100 nan 8.150 nan 0.000 0.443 108 L N -0.398 120.880 121.223 0.092 0.000 2.042 108 L HA -0.146 4.194 4.340 0.001 0.000 0.210 108 L C 2.961 179.902 176.870 0.118 0.000 1.076 108 L CA 1.910 56.810 54.840 0.100 0.000 0.749 108 L CB -1.251 40.858 42.059 0.084 0.000 0.893 108 L HN 0.419 nan 8.230 nan 0.000 0.432 109 A N -1.059 121.841 122.820 0.134 0.000 1.930 109 A HA -0.195 4.126 4.320 0.001 0.000 0.217 109 A C 2.033 179.708 177.584 0.152 0.000 1.175 109 A CA 1.637 53.764 52.037 0.151 0.000 0.627 109 A CB -0.568 18.549 19.000 0.195 0.000 0.815 109 A HN 0.368 nan 8.150 nan 0.000 0.443 110 D N -0.186 120.311 120.400 0.162 0.000 2.123 110 D HA -0.117 4.523 4.640 0.001 0.000 0.196 110 D C 1.779 178.161 176.300 0.137 0.000 0.992 110 D CA 1.015 55.107 54.000 0.154 0.000 0.833 110 D CB -0.257 40.649 40.800 0.176 0.000 0.954 110 D HN 0.379 nan 8.370 nan 0.000 0.455 111 L N 0.675 121.995 121.223 0.161 0.000 2.141 111 L HA -0.130 4.210 4.340 0.001 0.000 0.209 111 L C 1.823 178.779 176.870 0.142 0.000 1.094 111 L CA 1.064 56.011 54.840 0.179 0.000 0.763 111 L CB -0.133 42.049 42.059 0.204 0.000 0.908 111 L HN -0.064 nan 8.230 nan 0.000 0.437 112 D N -0.142 120.334 120.400 0.127 0.000 2.123 112 D HA -0.196 4.444 4.640 0.001 0.000 0.196 112 D C 1.674 178.041 176.300 0.111 0.000 0.992 112 D CA 1.319 55.388 54.000 0.115 0.000 0.833 112 D CB -0.169 40.695 40.800 0.107 0.000 0.954 112 D HN 0.350 nan 8.370 nan 0.000 0.455 113 D N 0.182 120.646 120.400 0.106 0.000 2.183 113 D HA -0.069 4.572 4.640 0.001 0.000 0.203 113 D C 2.317 178.671 176.300 0.090 0.000 0.969 113 D CA 0.227 54.287 54.000 0.101 0.000 0.842 113 D CB 0.023 40.884 40.800 0.102 0.000 0.957 113 D HN 0.068 nan 8.370 nan 0.000 0.484 114 V N 0.978 120.925 119.914 0.054 0.000 2.295 114 V HA -0.219 3.902 4.120 0.001 0.000 0.246 114 V C 2.718 178.892 176.094 0.132 0.000 1.049 114 V CA 1.099 63.387 62.300 -0.019 0.000 1.024 114 V CB -0.466 31.235 31.823 -0.203 0.000 0.648 114 V HN 0.047 nan 8.190 nan 0.000 0.447 115 V N 0.348 120.364 119.914 0.170 0.000 2.287 115 V HA -0.275 3.846 4.120 0.001 0.000 0.248 115 V C 2.664 178.885 176.094 0.212 0.000 1.053 115 V CA 2.156 64.586 62.300 0.216 0.000 1.027 115 V CB -1.171 30.746 31.823 0.158 0.000 0.646 115 V HN 0.571 nan 8.190 nan 0.000 0.447 116 A N -1.468 121.445 122.820 0.156 0.000 1.969 116 A HA -0.240 4.080 4.320 0.001 0.000 0.218 116 A C 2.360 180.035 177.584 0.152 0.000 1.169 116 A CA 1.744 53.865 52.037 0.140 0.000 0.635 116 A CB -0.998 18.065 19.000 0.104 0.000 0.810 116 A HN 0.601 nan 8.150 nan 0.000 0.445 117 C N -1.570 117.809 119.300 0.132 0.000 2.446 117 C HA -0.041 4.419 4.460 0.001 0.000 0.277 117 C C 2.387 177.501 174.990 0.206 0.000 1.275 117 C CA 1.061 60.156 59.018 0.128 0.000 1.727 117 C CB -1.540 26.236 27.740 0.061 0.000 2.010 117 C HN 0.596 nan 8.230 nan 0.000 0.486 118 F N 1.399 121.471 119.950 0.203 0.000 2.146 118 F HA -0.054 4.474 4.527 0.001 0.000 0.298 118 F C 2.425 178.332 175.800 0.178 0.000 1.096 118 F CA 2.026 60.143 58.000 0.195 0.000 1.275 118 F CB -0.722 38.352 39.000 0.124 0.000 1.008 118 F HN 0.342 nan 8.300 nan 0.000 0.480 119 E N -1.160 119.236 120.200 0.326 0.000 2.085 119 E HA -0.290 4.060 4.350 0.001 0.000 0.194 119 E C 2.003 178.694 176.600 0.153 0.000 0.994 119 E CA 1.617 58.140 56.400 0.205 0.000 0.801 119 E CB -0.495 29.303 29.700 0.163 0.000 0.743 119 E HN 0.526 nan 8.360 nan 0.000 0.453 120 Y N 0.034 120.339 120.300 0.008 0.000 2.200 120 Y HA -0.256 4.295 4.550 0.001 0.000 0.290 120 Y C 1.697 177.475 175.900 -0.203 0.000 1.137 120 Y CA 1.573 59.585 58.100 -0.146 0.000 1.163 120 Y CB -0.292 38.000 38.460 -0.281 0.000 0.988 120 Y HN 0.038 nan 8.280 nan 0.000 0.518 121 Y N -0.436 119.892 120.300 0.047 0.000 2.457 121 Y HA -0.028 4.523 4.550 0.001 0.000 0.292 121 Y C 2.552 178.434 175.900 -0.030 0.000 1.125 121 Y CA 0.565 58.641 58.100 -0.041 0.000 1.254 121 Y CB -0.493 38.009 38.460 0.069 0.000 1.012 121 Y HN 0.256 nan 8.280 nan 0.000 0.555 122 A N 0.354 123.265 122.820 0.151 0.000 1.908 122 A HA -0.177 4.143 4.320 0.001 0.000 0.218 122 A C 2.539 180.118 177.584 -0.008 0.000 1.181 122 A CA 1.921 54.015 52.037 0.095 0.000 0.627 122 A CB -1.465 17.605 19.000 0.117 0.000 0.818 122 A HN 0.469 nan 8.150 nan 0.000 0.445 123 G N -0.493 108.256 108.800 -0.085 0.000 2.418 123 G HA2 -0.103 3.858 3.960 0.001 0.000 0.217 123 G HA3 -0.103 3.858 3.960 0.001 0.000 0.217 123 G C 1.379 176.176 174.900 -0.171 0.000 1.158 123 G CA 1.181 46.199 45.100 -0.137 0.000 0.771 123 G HN 0.361 nan 8.290 nan 0.000 0.545 124 L N 1.281 122.350 121.223 -0.255 0.000 2.141 124 L HA 0.127 4.467 4.340 0.001 0.000 0.209 124 L C 3.233 180.057 176.870 -0.077 0.000 1.094 124 L CA 1.503 56.226 54.840 -0.194 0.000 0.763 124 L CB -0.721 41.205 42.059 -0.222 0.000 0.908 124 L HN 0.280 nan 8.230 nan 0.000 0.437 125 A N -0.694 122.104 122.820 -0.036 0.000 1.883 125 A HA -0.253 4.067 4.320 0.001 0.000 0.217 125 A C 2.274 179.826 177.584 -0.054 0.000 1.186 125 A CA 1.836 53.854 52.037 -0.032 0.000 0.624 125 A CB -0.569 18.424 19.000 -0.013 0.000 0.822 125 A HN 0.456 nan 8.150 nan 0.000 0.444 126 E N -0.432 119.737 120.200 -0.053 0.000 2.118 126 E HA -0.207 4.143 4.350 0.001 0.000 0.195 126 E C 1.909 178.475 176.600 -0.058 0.000 0.992 126 E CA 1.470 57.839 56.400 -0.053 0.000 0.804 126 E CB -0.136 29.535 29.700 -0.047 0.000 0.741 126 E HN 0.747 nan 8.360 nan 0.000 0.458 127 E N 0.026 120.186 120.200 -0.067 0.000 2.358 127 E HA -0.123 4.228 4.350 0.001 0.000 0.195 127 E C 1.775 178.339 176.600 -0.060 0.000 1.010 127 E CA 0.041 56.401 56.400 -0.067 0.000 0.856 127 E CB 0.125 29.775 29.700 -0.083 0.000 0.795 127 E HN 0.108 nan 8.360 nan 0.000 0.504 128 L N 1.270 122.458 121.223 -0.058 0.000 2.141 128 L HA -0.139 4.202 4.340 0.001 0.000 0.209 128 L C 1.286 178.127 176.870 -0.050 0.000 1.094 128 L CA 1.669 56.479 54.840 -0.051 0.000 0.763 128 L CB -0.076 41.955 42.059 -0.046 0.000 0.908 128 L HN -0.042 nan 8.230 nan 0.000 0.437 129 D N -0.920 119.448 120.400 -0.053 0.000 2.144 129 D HA -0.145 4.495 4.640 0.001 0.000 0.199 129 D C 2.343 178.612 176.300 -0.052 0.000 0.984 129 D CA 1.533 55.502 54.000 -0.052 0.000 0.834 129 D CB -0.157 40.611 40.800 -0.052 0.000 0.955 129 D HN 0.531 nan 8.370 nan 0.000 0.465 130 S N -0.086 115.583 115.700 -0.050 0.000 2.481 130 S HA -0.027 4.444 4.470 0.001 0.000 0.231 130 S C 1.602 176.172 174.600 -0.049 0.000 0.996 130 S CA 0.477 58.647 58.200 -0.050 0.000 0.942 130 S CB -0.061 63.111 63.200 -0.046 0.000 0.768 130 S HN 0.134 nan 8.310 nan 0.000 0.520 131 K N 0.521 120.893 120.400 -0.047 0.000 2.400 131 K HA 0.177 4.497 4.320 0.001 0.000 0.194 131 K C 0.307 176.886 176.600 -0.035 0.000 1.033 131 K CA 0.140 56.402 56.287 -0.042 0.000 1.021 131 K CB 0.127 32.601 32.500 -0.043 0.000 0.808 131 K HN 0.368 nan 8.250 nan 0.000 0.505 132 Q N 1.185 120.960 119.800 -0.042 0.000 2.352 132 Q HA 0.041 4.382 4.340 0.001 0.000 0.260 132 Q C -0.188 175.766 176.000 -0.077 0.000 0.976 132 Q CA 0.461 56.240 55.803 -0.041 0.000 0.881 132 Q CB 0.992 29.702 28.738 -0.047 0.000 1.235 132 Q HN 0.094 nan 8.270 nan 0.000 0.419 133 K N -0.759 119.601 120.400 -0.066 0.000 3.117 133 K HA -0.197 4.124 4.320 0.001 0.000 0.269 133 K C -0.496 176.048 176.600 -0.093 0.000 1.098 133 K CA 0.618 56.776 56.287 -0.215 0.000 0.785 133 K CB -1.813 30.343 32.500 -0.573 0.000 1.242 133 K HN 0.738 nan 8.250 nan 0.000 0.491 134 A N 1.970 124.798 122.820 0.013 0.000 2.491 134 A HA 0.287 4.607 4.320 0.001 0.000 0.261 134 A C -1.551 176.082 177.584 0.082 0.000 1.101 134 A CA -0.890 51.161 52.037 0.022 0.000 0.772 134 A CB -0.051 18.956 19.000 0.013 0.000 1.043 134 A HN 0.060 nan 8.150 nan 0.000 0.501 135 P HA 0.181 nan 4.420 nan 0.000 0.269 135 P C -0.671 176.675 177.300 0.077 0.000 1.209 135 P CA 0.090 63.250 63.100 0.101 0.000 0.776 135 P CB 0.742 32.479 31.700 0.062 0.000 0.876 136 I N 1.458 122.077 120.570 0.081 0.000 2.382 136 I HA 0.123 4.294 4.170 0.001 0.000 0.286 136 I C 0.775 176.918 176.117 0.043 0.000 1.002 136 I CA -0.487 60.840 61.300 0.046 0.000 1.135 136 I CB 1.271 39.288 38.000 0.028 0.000 1.288 136 I HN 0.295 nan 8.210 nan 0.000 0.448 137 S N 7.465 123.184 115.700 0.032 0.000 2.488 137 S HA 0.506 4.977 4.470 0.001 0.000 0.278 137 S C -0.296 174.322 174.600 0.029 0.000 1.259 137 S CA -0.325 57.894 58.200 0.032 0.000 1.061 137 S CB -0.040 63.174 63.200 0.024 0.000 0.910 137 S HN 0.383 nan 8.310 nan 0.000 0.491 138 L N 6.620 127.869 121.223 0.043 0.000 2.334 138 L HA 0.513 4.853 4.340 0.001 0.000 0.273 138 L C -1.376 175.525 176.870 0.051 0.000 1.013 138 L CA -1.865 53.001 54.840 0.043 0.000 0.816 138 L CB 1.489 43.587 42.059 0.066 0.000 1.278 138 L HN 0.510 nan 8.230 nan 0.000 0.431 139 P HA 0.208 nan 4.420 nan 0.000 0.253 139 P C -0.452 176.893 177.300 0.074 0.000 1.459 139 P CA 0.363 63.491 63.100 0.047 0.000 0.908 139 P CB 0.344 32.062 31.700 0.031 0.000 1.470 140 M N -0.300 119.366 119.600 0.110 0.000 2.530 140 M HA 0.191 4.671 4.480 0.001 0.000 0.307 140 M C 0.096 176.486 176.300 0.151 0.000 1.161 140 M CA -0.584 54.815 55.300 0.164 0.000 0.903 140 M CB 2.490 35.261 32.600 0.286 0.000 1.711 140 M HN -0.335 nan 8.290 nan 0.000 0.451 141 D N -0.555 119.918 120.400 0.122 0.000 2.249 141 D HA -0.087 4.554 4.640 0.001 0.000 0.205 141 D C 1.740 178.063 176.300 0.038 0.000 0.962 141 D CA 1.301 55.342 54.000 0.067 0.000 0.860 141 D CB -0.105 40.718 40.800 0.038 0.000 0.955 141 D HN 0.724 nan 8.370 nan 0.000 0.505 142 T N -2.304 112.292 114.554 0.070 0.000 3.067 142 T HA 0.078 4.429 4.350 0.001 0.000 0.261 142 T C 0.327 174.835 174.700 -0.319 0.000 1.110 142 T CA 0.209 62.228 62.100 -0.136 0.000 1.113 142 T CB -0.257 68.590 68.868 -0.035 0.000 0.917 142 T HN -0.063 nan 8.240 nan 0.000 0.499 143 F N 0.718 120.712 119.950 0.073 0.000 2.546 143 F HA 0.706 5.234 4.527 0.001 0.000 0.320 143 F C 0.042 175.864 175.800 0.036 0.000 1.076 143 F CA -1.336 56.710 58.000 0.076 0.000 0.928 143 F CB 2.295 41.352 39.000 0.096 0.000 1.189 143 F HN -0.187 nan 8.300 nan 0.000 0.465 144 K N 0.998 121.524 120.400 0.209 0.000 2.422 144 K HA 0.742 5.063 4.320 0.001 0.000 0.251 144 K C -1.449 175.209 176.600 0.098 0.000 0.933 144 K CA -0.549 55.819 56.287 0.135 0.000 0.798 144 K CB 2.082 34.644 32.500 0.103 0.000 1.238 144 K HN 0.596 nan 8.250 nan 0.000 0.428 145 S N 2.175 117.921 115.700 0.076 0.000 2.546 145 S HA 0.642 5.113 4.470 0.001 0.000 0.272 145 S C -1.890 172.742 174.600 0.054 0.000 1.140 145 S CA -0.624 57.564 58.200 -0.020 0.000 0.920 145 S CB 0.558 63.750 63.200 -0.014 0.000 1.083 145 S HN 0.552 nan 8.310 nan 0.000 0.476 146 Y N 1.806 122.116 120.300 0.016 0.000 2.689 146 Y HA 0.811 5.362 4.550 0.001 0.000 0.333 146 Y C -1.011 174.889 175.900 -0.000 0.000 1.190 146 Y CA -1.586 56.517 58.100 0.005 0.000 1.063 146 Y CB 0.607 39.069 38.460 0.004 0.000 1.294 146 Y HN 0.620 nan 8.280 nan 0.000 0.466 147 I N 0.559 121.296 120.570 0.278 0.000 2.474 147 I HA 0.705 4.875 4.170 0.001 0.000 0.294 147 I C -1.514 174.722 176.117 0.199 0.000 1.005 147 I CA -1.063 60.330 61.300 0.155 0.000 1.113 147 I CB 2.053 40.094 38.000 0.068 0.000 1.289 147 I HN 0.581 nan 8.210 nan 0.000 0.436 148 L N 5.303 126.611 121.223 0.142 0.000 2.325 148 L HA 0.544 4.885 4.340 0.001 0.000 0.278 148 L C -0.222 176.680 176.870 0.052 0.000 1.023 148 L CA -0.776 54.127 54.840 0.105 0.000 0.811 148 L CB 1.737 43.863 42.059 0.112 0.000 1.249 148 L HN 0.618 nan 8.230 nan 0.000 0.431 149 K N 3.478 123.898 120.400 0.033 0.000 2.404 149 K HA 0.392 4.712 4.320 0.001 0.000 0.257 149 K C -0.943 175.668 176.600 0.019 0.000 1.026 149 K CA -0.423 55.876 56.287 0.020 0.000 0.951 149 K CB 1.404 33.908 32.500 0.007 0.000 1.203 149 K HN 0.532 nan 8.250 nan 0.000 0.446 150 E N 3.209 123.425 120.200 0.027 0.000 2.227 150 E HA 0.296 4.647 4.350 0.001 0.000 0.268 150 E C -2.377 174.247 176.600 0.041 0.000 0.990 150 E CA -2.312 54.106 56.400 0.029 0.000 0.856 150 E CB 1.006 30.725 29.700 0.032 0.000 1.159 150 E HN 0.258 nan 8.360 nan 0.000 0.401 151 P HA 0.020 nan 4.420 nan 0.000 0.271 151 P C 0.419 177.769 177.300 0.083 0.000 1.218 151 P CA 0.005 63.149 63.100 0.074 0.000 0.780 151 P CB 0.783 32.529 31.700 0.076 0.000 0.901 152 I N 1.300 121.935 120.570 0.108 0.000 2.567 152 I HA -0.038 4.132 4.170 0.001 0.000 0.257 152 I C 1.238 177.411 176.117 0.093 0.000 1.184 152 I CA 2.323 63.681 61.300 0.097 0.000 1.451 152 I CB -0.663 37.402 38.000 0.108 0.000 1.089 152 I HN 0.790 nan 8.210 nan 0.000 0.441 153 G N -0.810 108.053 108.800 0.105 0.000 2.460 153 G HA2 -0.146 3.815 3.960 0.001 0.000 0.208 153 G HA3 -0.146 3.815 3.960 0.001 0.000 0.208 153 G C -0.608 174.347 174.900 0.092 0.000 1.185 153 G CA -0.222 44.932 45.100 0.090 0.000 1.262 153 G HN 0.083 nan 8.290 nan 0.000 0.522 154 V N 2.117 122.074 119.914 0.072 0.000 2.383 154 V HA 0.578 4.699 4.120 0.001 0.000 0.275 154 V C 0.645 176.784 176.094 0.074 0.000 1.036 154 V CA 0.062 62.394 62.300 0.052 0.000 0.889 154 V CB 0.851 32.684 31.823 0.016 0.000 0.985 154 V HN 1.435 nan 8.190 nan 0.000 0.459 155 V N 2.760 122.722 119.914 0.081 0.000 2.555 155 V HA 0.964 5.084 4.120 0.001 0.000 0.302 155 V C 0.118 176.270 176.094 0.097 0.000 1.038 155 V CA -0.912 61.464 62.300 0.125 0.000 0.887 155 V CB 1.570 33.516 31.823 0.204 0.000 0.991 155 V HN 0.911 nan 8.190 nan 0.000 0.434 156 A N 5.599 128.490 122.820 0.118 0.000 2.260 156 A HA 0.819 5.139 4.320 0.001 0.000 0.308 156 A C -0.806 176.866 177.584 0.146 0.000 1.254 156 A CA -0.445 51.657 52.037 0.108 0.000 0.874 156 A CB 0.493 19.554 19.000 0.101 0.000 1.153 156 A HN 0.833 nan 8.150 nan 0.000 0.527 157 L N 4.057 125.355 121.223 0.125 0.000 2.318 157 L HA 0.483 4.823 4.340 0.001 0.000 0.277 157 L C -0.404 176.543 176.870 0.129 0.000 1.008 157 L CA -0.044 54.877 54.840 0.135 0.000 0.846 157 L CB 0.830 42.945 42.059 0.092 0.000 1.220 157 L HN 0.596 nan 8.230 nan 0.000 0.423 158 I N 3.093 123.760 120.570 0.161 0.000 2.355 158 I HA 0.500 4.671 4.170 0.001 0.000 0.288 158 I C 0.030 176.166 176.117 0.031 0.000 0.999 158 I CA -0.339 61.066 61.300 0.174 0.000 1.163 158 I CB 1.817 40.042 38.000 0.374 0.000 1.316 158 I HN 0.592 nan 8.210 nan 0.000 0.454 159 T N 3.854 118.407 114.554 -0.002 0.000 2.893 159 T HA 0.671 5.022 4.350 0.001 0.000 0.291 159 T C -2.784 171.852 174.700 -0.106 0.000 1.028 159 T CA -2.085 59.964 62.100 -0.084 0.000 0.995 159 T CB 2.317 71.171 68.868 -0.022 0.000 1.051 159 T HN 0.209 nan 8.240 nan 0.000 0.470 160 P HA 0.301 nan 4.420 nan 0.000 0.281 160 P C 0.652 177.855 177.300 -0.161 0.000 1.281 160 P CA -0.915 62.016 63.100 -0.282 0.000 0.811 160 P CB 0.943 32.369 31.700 -0.456 0.000 1.154 161 W N 0.974 122.268 121.300 -0.011 0.000 3.290 161 W HA 0.044 4.705 4.660 0.001 0.000 0.287 161 W C 0.754 177.243 176.519 -0.050 0.000 1.288 161 W CA 0.094 57.428 57.345 -0.018 0.000 1.725 161 W CB -1.335 28.118 29.460 -0.011 0.000 1.103 161 W HN 0.244 nan 8.180 nan 0.000 0.670 162 N N 1.738 120.299 118.700 -0.232 0.000 2.207 162 N HA -0.184 4.556 4.740 0.001 0.000 0.182 162 N C -0.158 175.075 175.510 -0.463 0.000 1.020 162 N CA 0.874 53.760 53.050 -0.274 0.000 0.858 162 N CB -1.189 37.002 38.487 -0.492 0.000 0.991 162 N HN 0.172 nan 8.380 nan 0.000 0.427 163 Y N 0.417 120.608 120.300 -0.183 0.000 2.638 163 Y HA 0.442 4.992 4.550 0.001 0.000 0.367 163 Y C -1.695 174.127 175.900 -0.130 0.000 1.001 163 Y CA -2.201 55.786 58.100 -0.189 0.000 1.133 163 Y CB 1.658 39.907 38.460 -0.352 0.000 1.199 163 Y HN 0.009 nan 8.280 nan 0.000 0.642 164 P HA -0.270 nan 4.420 nan 0.000 0.214 164 P C 1.674 179.079 177.300 0.174 0.000 1.169 164 P CA 1.607 64.768 63.100 0.102 0.000 0.908 164 P CB 0.167 31.931 31.700 0.106 0.000 0.791 165 F N -0.623 119.331 119.950 0.007 0.000 2.234 165 F HA -0.009 4.518 4.527 0.001 0.000 0.296 165 F C 2.059 177.853 175.800 -0.009 0.000 1.089 165 F CA 0.593 58.608 58.000 0.025 0.000 1.343 165 F CB -1.246 37.786 39.000 0.054 0.000 1.040 165 F HN -0.251 nan 8.300 nan 0.000 0.498 166 L N -0.171 121.040 121.223 -0.020 0.000 2.056 166 L HA -0.177 4.163 4.340 0.001 0.000 0.207 166 L C 2.179 178.762 176.870 -0.478 0.000 1.078 166 L CA 1.673 56.354 54.840 -0.264 0.000 0.749 166 L CB -0.763 41.127 42.059 -0.282 0.000 0.901 166 L HN 0.002 nan 8.230 nan 0.000 0.433 167 M N -0.618 118.714 119.600 -0.445 0.000 2.117 167 M HA -0.127 4.353 4.480 0.001 0.000 0.262 167 M C 2.441 178.652 176.300 -0.149 0.000 1.065 167 M CA 1.762 56.797 55.300 -0.441 0.000 1.114 167 M CB -1.724 30.687 32.600 -0.315 0.000 1.361 167 M HN 0.414 nan 8.290 nan 0.000 0.408 168 A N -0.053 122.732 122.820 -0.058 0.000 1.883 168 A HA -0.174 4.147 4.320 0.001 0.000 0.217 168 A C 2.323 179.892 177.584 -0.026 0.000 1.186 168 A CA 2.483 54.532 52.037 0.021 0.000 0.624 168 A CB -1.227 17.851 19.000 0.130 0.000 0.822 168 A HN 0.511 nan 8.150 nan 0.000 0.444 169 T N -1.525 112.954 114.554 -0.124 0.000 2.746 169 T HA -0.193 4.158 4.350 0.001 0.000 0.267 169 T C 1.471 176.111 174.700 -0.101 0.000 1.039 169 T CA 1.380 63.319 62.100 -0.269 0.000 1.142 169 T CB -0.388 68.226 68.868 -0.423 0.000 0.866 169 T HN 0.667 nan 8.240 nan 0.000 0.444 170 W N 2.194 123.362 121.300 -0.219 0.000 2.341 170 W HA -0.008 4.652 4.660 0.001 0.000 0.283 170 W C 2.182 178.624 176.519 -0.128 0.000 1.215 170 W CA 0.406 57.663 57.345 -0.146 0.000 1.211 170 W CB -0.378 29.009 29.460 -0.121 0.000 1.131 170 W HN 0.351 nan 8.180 nan 0.000 0.552 171 K N -0.813 119.644 120.400 0.095 0.000 2.240 171 K HA 0.058 4.379 4.320 0.001 0.000 0.202 171 K C 1.954 178.422 176.600 -0.220 0.000 1.053 171 K CA 1.112 57.419 56.287 0.034 0.000 0.973 171 K CB -0.555 32.010 32.500 0.108 0.000 0.924 171 K HN 0.169 nan 8.250 nan 0.000 0.477 172 I N -0.607 119.867 120.570 -0.161 0.000 2.286 172 I HA -0.058 4.112 4.170 0.001 0.000 0.245 172 I C 2.377 178.387 176.117 -0.178 0.000 1.104 172 I CA 1.287 62.496 61.300 -0.152 0.000 1.397 172 I CB -0.303 37.705 38.000 0.014 0.000 1.072 172 I HN -0.053 nan 8.210 nan 0.000 0.417 173 A N 2.401 125.049 122.820 -0.287 0.000 1.865 173 A HA -0.085 4.235 4.320 0.001 0.000 0.217 173 A C 0.459 177.852 177.584 -0.319 0.000 1.191 173 A CA 2.230 54.108 52.037 -0.265 0.000 0.623 173 A CB -2.278 16.438 19.000 -0.475 0.000 0.826 173 A HN 0.514 nan 8.150 nan 0.000 0.444 174 P HA -0.031 nan 4.420 nan 0.000 0.222 174 P C 1.496 178.598 177.300 -0.330 0.000 1.153 174 P CA 1.671 64.367 63.100 -0.672 0.000 0.798 174 P CB -0.093 31.162 31.700 -0.741 0.000 0.796 175 A N 0.465 122.941 122.820 -0.572 0.000 1.898 175 A HA -0.099 4.222 4.320 0.001 0.000 0.216 175 A C 2.423 179.947 177.584 -0.100 0.000 1.181 175 A CA 1.210 52.896 52.037 -0.585 0.000 0.620 175 A CB -1.496 16.996 19.000 -0.847 0.000 0.819 175 A HN 0.095 nan 8.150 nan 0.000 0.442 176 L N -0.809 120.430 121.223 0.026 0.000 2.027 176 L HA -0.168 4.172 4.340 0.001 0.000 0.206 176 L C 3.116 180.110 176.870 0.206 0.000 1.074 176 L CA 1.122 56.159 54.840 0.328 0.000 0.745 176 L CB -0.806 41.519 42.059 0.443 0.000 0.898 176 L HN 0.429 nan 8.230 nan 0.000 0.433 177 A N 0.317 123.198 122.820 0.102 0.000 1.986 177 A HA -0.228 4.092 4.320 0.001 0.000 0.220 177 A C 2.436 180.004 177.584 -0.027 0.000 1.171 177 A CA 1.947 54.004 52.037 0.034 0.000 0.640 177 A CB -0.620 18.441 19.000 0.101 0.000 0.811 177 A HN 0.452 nan 8.150 nan 0.000 0.451 178 A N -2.280 120.544 122.820 0.007 0.000 2.067 178 A HA 0.375 4.696 4.320 0.001 0.000 0.217 178 A C 1.937 179.509 177.584 -0.020 0.000 1.156 178 A CA 1.436 53.486 52.037 0.021 0.000 0.683 178 A CB -0.717 18.345 19.000 0.102 0.000 0.808 178 A HN 1.947 nan 8.150 nan 0.000 0.455 179 G N -2.447 106.325 108.800 -0.047 0.000 2.148 179 G HA2 -0.213 3.747 3.960 0.001 0.000 0.203 179 G HA3 -0.213 3.747 3.960 0.001 0.000 0.203 179 G C 0.194 175.216 174.900 0.204 0.000 0.993 179 G CA -0.109 44.922 45.100 -0.116 0.000 0.661 179 G HN 0.587 nan 8.290 nan 0.000 0.518 180 C N 0.925 120.373 119.300 0.246 0.000 2.580 180 C HA 0.760 5.220 4.460 0.001 0.000 0.371 180 C C 1.224 176.364 174.990 0.249 0.000 1.308 180 C CA 0.383 59.532 59.018 0.218 0.000 2.428 180 C CB 0.866 28.684 27.740 0.129 0.000 2.529 180 C HN 1.208 nan 8.230 nan 0.000 0.657 181 A N 1.299 124.187 122.820 0.114 0.000 2.288 181 A HA 0.748 5.069 4.320 0.001 0.000 0.320 181 A C -0.198 177.379 177.584 -0.011 0.000 1.217 181 A CA -0.201 51.834 52.037 -0.004 0.000 0.840 181 A CB 0.507 19.483 19.000 -0.040 0.000 1.179 181 A HN 1.267 nan 8.150 nan 0.000 0.504 182 A N 2.250 125.046 122.820 -0.040 0.000 2.355 182 A HA 0.774 5.095 4.320 0.001 0.000 0.324 182 A C -0.812 176.761 177.584 -0.018 0.000 1.117 182 A CA -0.455 51.571 52.037 -0.019 0.000 0.785 182 A CB 0.562 19.546 19.000 -0.027 0.000 1.254 182 A HN 0.708 nan 8.150 nan 0.000 0.453 183 I N 1.895 122.467 120.570 0.003 0.000 2.355 183 I HA 0.319 4.489 4.170 0.001 0.000 0.288 183 I C -0.530 175.614 176.117 0.046 0.000 0.999 183 I CA -0.279 61.029 61.300 0.013 0.000 1.163 183 I CB 1.596 39.593 38.000 -0.005 0.000 1.316 183 I HN 0.541 nan 8.210 nan 0.000 0.454 184 L N 7.449 128.709 121.223 0.062 0.000 2.276 184 L HA 0.476 4.816 4.340 0.001 0.000 0.286 184 L C -0.250 176.672 176.870 0.085 0.000 1.061 184 L CA 0.006 54.894 54.840 0.080 0.000 0.807 184 L CB 0.361 42.477 42.059 0.095 0.000 1.177 184 L HN 0.366 nan 8.230 nan 0.000 0.429 185 K N 7.125 127.579 120.400 0.091 0.000 2.419 185 K HA 0.484 4.805 4.320 0.001 0.000 0.244 185 K C -2.666 173.992 176.600 0.096 0.000 1.045 185 K CA -2.148 54.195 56.287 0.093 0.000 1.004 185 K CB 1.070 33.628 32.500 0.098 0.000 1.376 185 K HN 0.335 nan 8.250 nan 0.000 0.460 186 P HA 0.060 nan 4.420 nan 0.000 0.274 186 P C -0.277 177.083 177.300 0.101 0.000 1.246 186 P CA -0.402 62.754 63.100 0.093 0.000 0.795 186 P CB 0.627 32.384 31.700 0.095 0.000 1.006 187 S N 0.747 116.520 115.700 0.122 0.000 2.549 187 S HA -0.008 4.463 4.470 0.001 0.000 0.283 187 S C 1.422 176.098 174.600 0.127 0.000 1.320 187 S CA -0.390 57.910 58.200 0.167 0.000 1.058 187 S CB -0.113 63.269 63.200 0.302 0.000 0.882 187 S HN 0.490 nan 8.310 nan 0.000 0.498 188 E N 4.707 124.965 120.200 0.096 0.000 2.401 188 E HA -0.136 4.214 4.350 0.001 0.000 0.199 188 E C 1.299 177.910 176.600 0.018 0.000 1.023 188 E CA 0.929 57.356 56.400 0.045 0.000 0.859 188 E CB -0.293 29.419 29.700 0.020 0.000 0.780 188 E HN 0.770 nan 8.360 nan 0.000 0.523 189 L N 0.079 121.316 121.223 0.025 0.000 2.529 189 L HA 0.248 4.589 4.340 0.001 0.000 0.223 189 L C 1.023 177.887 176.870 -0.010 0.000 1.113 189 L CA 0.503 55.304 54.840 -0.063 0.000 0.861 189 L CB 0.289 42.186 42.059 -0.269 0.000 1.012 189 L HN 0.085 nan 8.230 nan 0.000 0.461 190 A N -1.282 121.581 122.820 0.072 0.000 2.969 190 A HA 0.464 4.785 4.320 0.001 0.000 0.303 190 A C 0.253 177.879 177.584 0.070 0.000 1.198 190 A CA -0.300 51.781 52.037 0.074 0.000 0.819 190 A CB 0.507 19.589 19.000 0.136 0.000 1.385 190 A HN -0.027 nan 8.150 nan 0.000 0.479 191 S N -0.110 115.613 115.700 0.038 0.000 2.559 191 S HA 0.054 4.524 4.470 0.001 0.000 0.226 191 S C 1.671 176.275 174.600 0.006 0.000 1.000 191 S CA 0.661 58.883 58.200 0.038 0.000 0.948 191 S CB 0.355 63.580 63.200 0.041 0.000 0.870 191 S HN 0.493 nan 8.310 nan 0.000 0.497 192 V N 2.630 122.530 119.914 -0.024 0.000 2.270 192 V HA -0.164 3.956 4.120 0.001 0.000 0.245 192 V C 2.921 178.947 176.094 -0.114 0.000 1.043 192 V CA 2.361 64.625 62.300 -0.060 0.000 1.014 192 V CB -1.276 30.508 31.823 -0.065 0.000 0.645 192 V HN 0.711 nan 8.190 nan 0.000 0.447 193 T N -2.868 111.583 114.554 -0.172 0.000 2.867 193 T HA -0.211 4.139 4.350 0.001 0.000 0.268 193 T C 1.887 176.325 174.700 -0.436 0.000 1.057 193 T CA 1.645 63.508 62.100 -0.396 0.000 1.136 193 T CB -1.000 67.522 68.868 -0.576 0.000 0.874 193 T HN 0.451 nan 8.240 nan 0.000 0.466 194 C N 0.858 120.064 119.300 -0.156 0.000 2.440 194 C HA 0.222 4.682 4.460 0.001 0.000 0.278 194 C C 2.775 177.780 174.990 0.024 0.000 1.295 194 C CA 0.117 59.146 59.018 0.018 0.000 1.738 194 C CB -1.499 26.307 27.740 0.111 0.000 1.987 194 C HN 0.547 nan 8.230 nan 0.000 0.492 195 L N 0.588 121.822 121.223 0.019 0.000 2.093 195 L HA -0.111 4.229 4.340 0.001 0.000 0.208 195 L C 2.684 179.609 176.870 0.092 0.000 1.085 195 L CA 1.182 56.080 54.840 0.098 0.000 0.755 195 L CB -0.613 41.491 42.059 0.076 0.000 0.904 195 L HN 0.304 nan 8.230 nan 0.000 0.435 196 E N -0.005 120.168 120.200 -0.045 0.000 2.153 196 E HA -0.228 4.122 4.350 0.001 0.000 0.194 196 E C 2.084 178.654 176.600 -0.049 0.000 0.988 196 E CA 0.934 57.295 56.400 -0.066 0.000 0.811 196 E CB -0.323 29.279 29.700 -0.163 0.000 0.746 196 E HN 0.277 nan 8.360 nan 0.000 0.466 197 L N 0.724 121.909 121.223 -0.062 0.000 2.191 197 L HA -0.038 4.303 4.340 0.001 0.000 0.212 197 L C 2.040 178.808 176.870 -0.170 0.000 1.103 197 L CA 1.906 56.752 54.840 0.010 0.000 0.769 197 L CB -0.810 41.379 42.059 0.217 0.000 0.908 197 L HN 0.117 nan 8.230 nan 0.000 0.438 198 G N -1.122 107.499 108.800 -0.299 0.000 2.421 198 G HA2 -0.338 3.623 3.960 0.001 0.000 0.216 198 G HA3 -0.338 3.623 3.960 0.001 0.000 0.216 198 G C 1.487 175.856 174.900 -0.884 0.000 1.171 198 G CA 0.842 45.304 45.100 -1.063 0.000 0.775 198 G HN 0.429 nan 8.290 nan 0.000 0.543 199 E N 0.646 120.787 120.200 -0.098 0.000 2.110 199 E HA -0.039 4.311 4.350 0.001 0.000 0.193 199 E C 2.438 179.016 176.600 -0.037 0.000 0.988 199 E CA 0.622 57.089 56.400 0.111 0.000 0.804 199 E CB -0.384 29.456 29.700 0.233 0.000 0.745 199 E HN 0.530 nan 8.360 nan 0.000 0.458 200 I N -0.348 120.176 120.570 -0.076 0.000 2.226 200 I HA -0.337 3.833 4.170 0.001 0.000 0.245 200 I C 2.169 178.237 176.117 -0.081 0.000 1.100 200 I CA 0.857 62.124 61.300 -0.056 0.000 1.374 200 I CB -0.230 37.751 38.000 -0.031 0.000 1.057 200 I HN 0.235 nan 8.210 nan 0.000 0.413 201 C N 0.368 119.566 119.300 -0.170 0.000 2.422 201 C HA -0.150 4.311 4.460 0.001 0.000 0.279 201 C C 2.774 177.740 174.990 -0.040 0.000 1.305 201 C CA 0.714 59.659 59.018 -0.121 0.000 1.757 201 C CB -0.927 26.715 27.740 -0.162 0.000 1.962 201 C HN 0.426 nan 8.230 nan 0.000 0.499 202 K N 1.055 121.415 120.400 -0.067 0.000 2.001 202 K HA -0.144 4.176 4.320 0.001 0.000 0.208 202 K C 1.998 178.623 176.600 0.042 0.000 1.048 202 K CA 1.471 57.774 56.287 0.027 0.000 0.932 202 K CB -0.134 32.391 32.500 0.042 0.000 0.715 202 K HN 0.515 nan 8.250 nan 0.000 0.437 203 E N -0.173 120.049 120.200 0.035 0.000 2.118 203 E HA -0.177 4.173 4.350 0.001 0.000 0.195 203 E C 1.811 178.442 176.600 0.050 0.000 0.992 203 E CA 1.243 57.669 56.400 0.043 0.000 0.804 203 E CB 0.066 29.787 29.700 0.036 0.000 0.741 203 E HN 0.071 nan 8.360 nan 0.000 0.458 204 V N 0.080 120.026 119.914 0.054 0.000 3.217 204 V HA -0.029 4.091 4.120 0.001 0.000 0.264 204 V C 1.284 177.485 176.094 0.177 0.000 1.135 204 V CA 1.095 63.454 62.300 0.099 0.000 1.142 204 V CB -0.352 31.531 31.823 0.101 0.000 0.754 204 V HN 0.559 nan 8.190 nan 0.000 0.484 205 G N 0.850 109.725 108.800 0.125 0.000 2.246 205 G HA2 -0.260 3.700 3.960 0.001 0.000 0.273 205 G HA3 -0.260 3.700 3.960 0.001 0.000 0.273 205 G C -0.091 174.875 174.900 0.110 0.000 1.055 205 G CA 0.418 45.596 45.100 0.131 0.000 0.851 205 G HN 0.468 nan 8.290 nan 0.000 0.500 206 L N 1.029 122.228 121.223 -0.040 0.000 2.499 206 L HA 0.501 4.841 4.340 0.001 0.000 0.273 206 L C -1.265 175.381 176.870 -0.373 0.000 1.195 206 L CA -1.149 53.457 54.840 -0.391 0.000 0.882 206 L CB 0.172 42.032 42.059 -0.331 0.000 1.133 206 L HN 0.041 nan 8.230 nan 0.000 0.483 207 P HA -0.027 nan 4.420 nan 0.000 0.263 207 P C -1.189 175.915 177.300 -0.327 0.000 1.175 207 P CA 0.091 62.998 63.100 -0.321 0.000 0.761 207 P CB 0.172 31.689 31.700 -0.305 0.000 0.794 208 R N 2.450 122.811 120.500 -0.230 0.000 2.570 208 R HA 0.349 4.690 4.340 0.001 0.000 0.277 208 R C 0.945 177.085 176.300 -0.266 0.000 1.039 208 R CA 0.178 56.128 56.100 -0.251 0.000 1.065 208 R CB -0.665 29.511 30.300 -0.207 0.000 0.964 208 R HN 0.738 nan 8.270 nan 0.000 0.428 209 G N 1.357 109.975 108.800 -0.303 0.000 2.199 209 G HA2 -0.309 3.652 3.960 0.001 0.000 0.254 209 G HA3 -0.309 3.652 3.960 0.001 0.000 0.254 209 G C 0.607 175.349 174.900 -0.264 0.000 0.982 209 G CA 0.165 45.109 45.100 -0.260 0.000 0.632 209 G HN 0.457 nan 8.290 nan 0.000 0.529 210 V N -0.256 119.437 119.914 -0.369 0.000 2.379 210 V HA 0.255 4.376 4.120 0.001 0.000 0.245 210 V C 1.167 177.079 176.094 -0.304 0.000 1.044 210 V CA 2.013 64.017 62.300 -0.493 0.000 1.036 210 V CB 0.043 31.238 31.823 -1.047 0.000 0.664 210 V HN 0.506 nan 8.190 nan 0.000 0.453 211 L N 0.999 122.098 121.223 -0.207 0.000 2.376 211 L HA 0.542 4.882 4.340 0.001 0.000 0.275 211 L C -0.893 175.992 176.870 0.026 0.000 0.987 211 L CA -0.223 54.588 54.840 -0.048 0.000 0.828 211 L CB 1.419 43.489 42.059 0.017 0.000 1.249 211 L HN 0.187 nan 8.230 nan 0.000 0.409 212 N N 5.290 123.995 118.700 0.009 0.000 2.314 212 N HA 0.718 5.458 4.740 0.001 0.000 0.304 212 N C -1.309 174.262 175.510 0.102 0.000 1.073 212 N CA -0.408 52.649 53.050 0.013 0.000 0.822 212 N CB 2.188 40.623 38.487 -0.087 0.000 1.280 212 N HN 0.469 nan 8.380 nan 0.000 0.489 213 I N 1.398 122.067 120.570 0.166 0.000 2.411 213 I HA 0.318 4.489 4.170 0.001 0.000 0.284 213 I C -1.005 175.194 176.117 0.136 0.000 1.012 213 I CA -0.826 60.570 61.300 0.161 0.000 1.119 213 I CB 1.571 39.688 38.000 0.195 0.000 1.261 213 I HN 0.147 nan 8.210 nan 0.000 0.448 214 V N 5.559 125.531 119.914 0.097 0.000 2.326 214 V HA 0.353 4.473 4.120 0.001 0.000 0.281 214 V C 0.354 176.495 176.094 0.080 0.000 1.015 214 V CA -0.381 61.968 62.300 0.081 0.000 0.823 214 V CB 1.881 33.736 31.823 0.053 0.000 1.009 214 V HN 0.833 nan 8.190 nan 0.000 0.436 215 T N 2.043 116.646 114.554 0.082 0.000 2.918 215 T HA 0.932 5.283 4.350 0.001 0.000 0.283 215 T C 0.236 174.963 174.700 0.044 0.000 1.001 215 T CA 0.061 62.201 62.100 0.067 0.000 1.041 215 T CB 2.007 70.916 68.868 0.069 0.000 1.028 215 T HN 1.302 nan 8.240 nan 0.000 0.511 216 G N 0.525 109.342 108.800 0.029 0.000 2.356 216 G HA2 0.370 4.331 3.960 0.001 0.000 0.288 216 G HA3 0.370 4.331 3.960 0.001 0.000 0.288 216 G C -1.821 173.064 174.900 -0.025 0.000 1.302 216 G CA -1.179 43.920 45.100 -0.001 0.000 0.887 216 G HN 0.785 nan 8.290 nan 0.000 0.521 217 L N 1.841 123.011 121.223 -0.089 0.000 2.456 217 L HA 0.461 4.801 4.340 0.001 0.000 0.272 217 L C 2.155 178.930 176.870 -0.159 0.000 1.189 217 L CA 1.204 55.942 54.840 -0.171 0.000 0.846 217 L CB 0.812 42.645 42.059 -0.377 0.000 1.111 217 L HN 1.047 nan 8.230 nan 0.000 0.475 218 G N 2.553 111.307 108.800 -0.078 0.000 2.469 218 G HA2 -0.273 3.687 3.960 0.001 0.000 0.219 218 G HA3 -0.273 3.687 3.960 0.001 0.000 0.219 218 G C 1.278 176.184 174.900 0.011 0.000 1.150 218 G CA 1.143 46.251 45.100 0.013 0.000 0.763 218 G HN 0.923 nan 8.290 nan 0.000 0.561 219 H N -0.463 118.634 119.070 0.044 0.000 2.548 219 H HA 0.266 4.822 4.556 0.001 0.000 0.268 219 H C 1.674 177.020 175.328 0.030 0.000 0.975 219 H CA 1.039 57.105 56.048 0.031 0.000 1.195 219 H CB 0.190 29.966 29.762 0.024 0.000 1.397 219 H HN 0.468 nan 8.280 nan 0.000 0.572 220 E N 1.033 121.137 120.200 -0.160 0.000 2.101 220 E HA 0.197 4.548 4.350 0.001 0.000 0.194 220 E C 2.480 179.077 176.600 -0.005 0.000 0.950 220 E CA 0.456 56.832 56.400 -0.041 0.000 0.917 220 E CB 0.068 29.709 29.700 -0.099 0.000 0.963 220 E HN 0.336 nan 8.360 nan 0.000 0.476 221 A N 1.338 124.143 122.820 -0.024 0.000 1.873 221 A HA -0.069 4.252 4.320 0.001 0.000 0.215 221 A C 2.330 179.938 177.584 0.039 0.000 1.186 221 A CA 1.890 53.936 52.037 0.016 0.000 0.616 221 A CB -1.300 17.710 19.000 0.016 0.000 0.823 221 A HN 0.350 nan 8.150 nan 0.000 0.442 222 G N -0.474 108.349 108.800 0.038 0.000 2.433 222 G HA2 -0.005 3.955 3.960 0.001 0.000 0.216 222 G HA3 -0.005 3.955 3.960 0.001 0.000 0.216 222 G C 1.790 176.725 174.900 0.058 0.000 1.186 222 G CA 1.615 46.754 45.100 0.065 0.000 0.779 222 G HN 0.809 nan 8.290 nan 0.000 0.543 223 A N 0.733 123.584 122.820 0.052 0.000 1.902 223 A HA -0.005 4.315 4.320 0.001 0.000 0.217 223 A C 2.705 180.321 177.584 0.054 0.000 1.181 223 A CA 2.331 54.397 52.037 0.049 0.000 0.623 223 A CB -0.680 18.358 19.000 0.063 0.000 0.818 223 A HN 0.319 nan 8.150 nan 0.000 0.443 224 S N -0.593 115.144 115.700 0.061 0.000 2.382 224 S HA -0.131 4.339 4.470 0.001 0.000 0.228 224 S C 1.828 176.492 174.600 0.107 0.000 1.027 224 S CA 1.421 59.666 58.200 0.074 0.000 0.991 224 S CB -0.369 62.875 63.200 0.073 0.000 0.823 224 S HN 0.479 nan 8.310 nan 0.000 0.469 225 L N 1.988 123.267 121.223 0.093 0.000 2.044 225 L HA 0.140 4.480 4.340 0.001 0.000 0.205 225 L C 2.377 179.310 176.870 0.106 0.000 1.075 225 L CA 1.854 56.753 54.840 0.098 0.000 0.747 225 L CB -1.231 40.873 42.059 0.075 0.000 0.903 225 L HN 0.226 nan 8.230 nan 0.000 0.435 226 A N -0.941 121.927 122.820 0.079 0.000 1.978 226 A HA -0.187 4.133 4.320 0.001 0.000 0.220 226 A C 2.262 179.885 177.584 0.066 0.000 1.170 226 A CA 1.949 54.023 52.037 0.062 0.000 0.636 226 A CB -0.942 18.071 19.000 0.021 0.000 0.810 226 A HN 0.654 nan 8.150 nan 0.000 0.448 227 S N -1.586 114.154 115.700 0.068 0.000 2.575 227 S HA 0.069 4.539 4.470 0.001 0.000 0.215 227 S C 0.639 175.275 174.600 0.059 0.000 0.966 227 S CA -0.369 57.860 58.200 0.049 0.000 0.911 227 S CB -0.456 62.758 63.200 0.023 0.000 0.780 227 S HN 0.585 nan 8.310 nan 0.000 0.514 228 H N 4.261 123.344 119.070 0.022 0.000 2.929 228 H HA 0.175 4.731 4.556 0.001 0.000 0.317 228 H C -1.640 173.701 175.328 0.022 0.000 1.031 228 H CA -1.224 54.836 56.048 0.021 0.000 1.466 228 H CB 1.392 31.168 29.762 0.023 0.000 1.482 228 H HN 0.121 nan 8.280 nan 0.000 0.561 229 P HA -0.098 nan 4.420 nan 0.000 0.222 229 P C 0.357 177.762 177.300 0.175 0.000 1.147 229 P CA 0.924 64.063 63.100 0.065 0.000 0.790 229 P CB 0.554 32.233 31.700 -0.035 0.000 0.780 230 D N -0.777 119.860 120.400 0.394 0.000 2.349 230 D HA 0.069 4.709 4.640 0.001 0.000 0.214 230 D C 0.333 176.700 176.300 0.111 0.000 1.063 230 D CA 0.045 54.175 54.000 0.217 0.000 0.847 230 D CB 0.496 41.418 40.800 0.202 0.000 0.933 230 D HN 0.029 nan 8.370 nan 0.000 0.513 231 V N 2.135 122.128 119.914 0.131 0.000 2.488 231 V HA 0.004 4.125 4.120 0.001 0.000 0.277 231 V C 1.209 177.353 176.094 0.082 0.000 1.046 231 V CA 0.076 62.421 62.300 0.076 0.000 0.986 231 V CB 1.726 33.602 31.823 0.088 0.000 0.989 231 V HN -0.011 nan 8.190 nan 0.000 0.475 232 D N 3.212 123.657 120.400 0.075 0.000 2.240 232 D HA 0.075 4.715 4.640 0.001 0.000 0.206 232 D C 0.735 177.085 176.300 0.083 0.000 0.963 232 D CA 0.901 54.947 54.000 0.076 0.000 0.863 232 D CB 0.722 41.567 40.800 0.076 0.000 0.973 232 D HN 0.493 nan 8.370 nan 0.000 0.501 233 K N 0.260 120.721 120.400 0.101 0.000 2.542 233 K HA 0.433 4.753 4.320 0.001 0.000 0.259 233 K C -1.789 174.888 176.600 0.128 0.000 0.932 233 K CA -0.514 55.838 56.287 0.108 0.000 0.820 233 K CB 1.925 34.494 32.500 0.114 0.000 1.345 233 K HN -0.231 nan 8.250 nan 0.000 0.432 234 I N 2.066 122.707 120.570 0.118 0.000 2.378 234 I HA 0.265 4.436 4.170 0.001 0.000 0.291 234 I C -0.407 175.802 176.117 0.152 0.000 0.992 234 I CA -0.569 60.813 61.300 0.136 0.000 1.154 234 I CB 2.002 40.066 38.000 0.108 0.000 1.315 234 I HN 0.406 nan 8.210 nan 0.000 0.448 235 S N 6.835 122.656 115.700 0.200 0.000 2.456 235 S HA 0.645 5.115 4.470 0.001 0.000 0.316 235 S C -1.107 173.639 174.600 0.243 0.000 1.089 235 S CA -0.412 57.909 58.200 0.201 0.000 1.101 235 S CB 0.512 63.869 63.200 0.262 0.000 0.995 235 S HN 0.401 nan 8.310 nan 0.000 0.468 236 F N 3.680 123.653 119.950 0.039 0.000 2.556 236 F HA 0.661 5.189 4.527 0.001 0.000 0.314 236 F C -0.649 175.157 175.800 0.009 0.000 1.106 236 F CA -0.181 57.833 58.000 0.022 0.000 0.911 236 F CB 2.143 41.143 39.000 0.001 0.000 1.190 236 F HN 0.451 nan 8.300 nan 0.000 0.448 237 T N 4.330 118.356 114.554 -0.881 0.000 2.879 237 T HA 0.810 5.161 4.350 0.001 0.000 0.290 237 T C -0.235 173.727 174.700 -1.230 0.000 0.993 237 T CA -0.327 61.311 62.100 -0.770 0.000 0.975 237 T CB 1.254 69.933 68.868 -0.316 0.000 0.981 237 T HN 1.126 nan 8.240 nan 0.000 0.439 238 G N 1.763 110.032 108.800 -0.884 0.000 2.360 238 G HA2 0.460 4.420 3.960 0.001 0.000 0.276 238 G HA3 0.460 4.420 3.960 0.001 0.000 0.276 238 G C -0.607 174.251 174.900 -0.070 0.000 1.256 238 G CA -0.291 44.507 45.100 -0.504 0.000 0.890 238 G HN 0.953 nan 8.290 nan 0.000 0.486 239 S N -0.033 115.721 115.700 0.089 0.000 2.593 239 S HA 0.469 4.939 4.470 0.001 0.000 0.269 239 S C 1.539 176.248 174.600 0.181 0.000 1.334 239 S CA 0.798 59.040 58.200 0.071 0.000 1.015 239 S CB 1.457 64.685 63.200 0.047 0.000 0.912 239 S HN 1.134 nan 8.310 nan 0.000 0.541 240 S N 2.047 117.832 115.700 0.141 0.000 2.359 240 S HA -0.149 4.322 4.470 0.001 0.000 0.224 240 S C 2.293 176.947 174.600 0.089 0.000 1.035 240 S CA 1.271 59.558 58.200 0.144 0.000 1.018 240 S CB -1.232 62.070 63.200 0.170 0.000 0.876 240 S HN 0.963 nan 8.310 nan 0.000 0.448 241 A N 1.614 124.478 122.820 0.073 0.000 1.883 241 A HA -0.150 4.170 4.320 0.001 0.000 0.217 241 A C 2.396 179.980 177.584 0.001 0.000 1.186 241 A CA 2.222 54.281 52.037 0.037 0.000 0.624 241 A CB -1.484 17.540 19.000 0.040 0.000 0.822 241 A HN 0.510 nan 8.150 nan 0.000 0.444 242 T N -0.310 114.250 114.554 0.011 0.000 2.777 242 T HA 0.009 4.360 4.350 0.001 0.000 0.266 242 T C 1.997 176.482 174.700 -0.360 0.000 1.040 242 T CA 1.281 63.320 62.100 -0.101 0.000 1.141 242 T CB -0.730 68.159 68.868 0.035 0.000 0.868 242 T HN 0.595 nan 8.240 nan 0.000 0.444 243 G N 0.925 109.575 108.800 -0.249 0.000 2.476 243 G HA2 -0.268 3.692 3.960 0.001 0.000 0.218 243 G HA3 -0.268 3.692 3.960 0.001 0.000 0.218 243 G C 1.866 176.656 174.900 -0.183 0.000 1.164 243 G CA 1.332 46.265 45.100 -0.278 0.000 0.768 243 G HN 0.514 nan 8.290 nan 0.000 0.560 244 S N -0.028 115.627 115.700 -0.074 0.000 2.382 244 S HA -0.087 4.384 4.470 0.001 0.000 0.228 244 S C 2.344 176.908 174.600 -0.060 0.000 1.027 244 S CA 1.861 60.040 58.200 -0.035 0.000 0.991 244 S CB -0.250 62.947 63.200 -0.005 0.000 0.823 244 S HN 0.466 nan 8.310 nan 0.000 0.469 245 K N 0.432 120.775 120.400 -0.095 0.000 2.057 245 K HA 0.023 4.344 4.320 0.001 0.000 0.206 245 K C 2.000 178.534 176.600 -0.110 0.000 1.050 245 K CA 1.157 57.392 56.287 -0.085 0.000 0.935 245 K CB -0.211 32.244 32.500 -0.076 0.000 0.715 245 K HN 0.338 nan 8.250 nan 0.000 0.439 246 I N 1.372 121.817 120.570 -0.207 0.000 2.163 246 I HA -0.297 3.873 4.170 0.001 0.000 0.243 246 I C 2.402 178.465 176.117 -0.091 0.000 1.085 246 I CA 1.564 62.743 61.300 -0.200 0.000 1.347 246 I CB -0.747 37.016 38.000 -0.396 0.000 1.044 246 I HN 0.313 nan 8.210 nan 0.000 0.408 247 M N 0.104 119.664 119.600 -0.068 0.000 2.175 247 M HA -0.182 4.299 4.480 0.001 0.000 0.264 247 M C 2.184 178.494 176.300 0.015 0.000 1.063 247 M CA 1.636 56.944 55.300 0.012 0.000 1.119 247 M CB -0.163 32.478 32.600 0.068 0.000 1.377 247 M HN 0.189 nan 8.290 nan 0.000 0.415 248 T N 0.052 114.603 114.554 -0.004 0.000 2.746 248 T HA -0.125 4.226 4.350 0.001 0.000 0.267 248 T C 1.597 176.296 174.700 -0.002 0.000 1.039 248 T CA 1.992 64.091 62.100 -0.001 0.000 1.142 248 T CB -0.476 68.386 68.868 -0.009 0.000 0.866 248 T HN 0.451 nan 8.240 nan 0.000 0.444 249 T N 2.051 116.599 114.554 -0.010 0.000 2.708 249 T HA -0.015 4.336 4.350 0.001 0.000 0.266 249 T C 2.436 177.141 174.700 0.009 0.000 1.037 249 T CA 1.161 63.260 62.100 -0.003 0.000 1.146 249 T CB -0.595 68.268 68.868 -0.009 0.000 0.865 249 T HN 0.428 nan 8.240 nan 0.000 0.435 250 A N 1.529 124.358 122.820 0.014 0.000 1.940 250 A HA 0.069 4.390 4.320 0.001 0.000 0.219 250 A C 2.614 180.215 177.584 0.029 0.000 1.176 250 A CA 1.880 53.935 52.037 0.030 0.000 0.631 250 A CB -1.074 17.952 19.000 0.043 0.000 0.814 250 A HN 0.519 nan 8.150 nan 0.000 0.446 251 A N -0.818 122.016 122.820 0.024 0.000 2.076 251 A HA -0.204 4.116 4.320 0.001 0.000 0.220 251 A C 2.065 179.657 177.584 0.013 0.000 1.160 251 A CA 1.517 53.565 52.037 0.019 0.000 0.653 251 A CB -0.478 18.531 19.000 0.015 0.000 0.801 251 A HN 0.683 nan 8.150 nan 0.000 0.455 252 Q N -0.824 118.983 119.800 0.011 0.000 2.119 252 Q HA -0.014 4.327 4.340 0.001 0.000 0.201 252 Q C 1.055 177.060 176.000 0.008 0.000 0.972 252 Q CA 1.121 56.928 55.803 0.007 0.000 0.847 252 Q CB -0.123 28.617 28.738 0.004 0.000 0.903 252 Q HN 0.692 nan 8.270 nan 0.000 0.433 253 L N -0.417 120.815 121.223 0.014 0.000 3.014 253 L HA 0.166 4.506 4.340 0.001 0.000 0.263 253 L C 0.405 177.288 176.870 0.022 0.000 1.207 253 L CA -0.348 54.502 54.840 0.017 0.000 1.017 253 L CB 1.270 43.342 42.059 0.021 0.000 1.360 253 L HN -0.183 nan 8.230 nan 0.000 0.560 254 V N 1.276 121.202 119.914 0.021 0.000 5.487 254 V HA -0.285 3.835 4.120 0.001 0.000 0.302 254 V C 0.417 176.529 176.094 0.030 0.000 0.511 254 V CA 1.106 63.419 62.300 0.021 0.000 0.684 254 V CB -1.620 30.211 31.823 0.013 0.000 0.458 254 V HN 0.509 nan 8.190 nan 0.000 1.195 255 K N 2.491 122.915 120.400 0.040 0.000 2.172 255 K HA 0.513 4.833 4.320 0.001 0.000 0.276 255 K C -2.037 174.600 176.600 0.061 0.000 1.013 255 K CA -1.498 54.819 56.287 0.051 0.000 0.913 255 K CB 1.016 33.551 32.500 0.058 0.000 1.055 255 K HN 0.276 nan 8.250 nan 0.000 0.461 256 P HA 0.138 nan 4.420 nan 0.000 0.272 256 P C -0.626 176.735 177.300 0.101 0.000 1.223 256 P CA -0.402 62.746 63.100 0.079 0.000 0.784 256 P CB 1.024 32.760 31.700 0.061 0.000 0.923 257 V N 1.035 121.040 119.914 0.152 0.000 3.007 257 V HA 0.555 4.675 4.120 0.001 0.000 0.311 257 V C -0.789 175.411 176.094 0.177 0.000 1.120 257 V CA -0.479 61.911 62.300 0.150 0.000 0.980 257 V CB 2.520 34.430 31.823 0.145 0.000 1.033 257 V HN 0.863 nan 8.190 nan 0.000 0.429 258 S N 5.646 121.384 115.700 0.063 0.000 2.532 258 S HA 0.825 5.295 4.470 0.001 0.000 0.299 258 S C -1.357 173.174 174.600 -0.116 0.000 1.105 258 S CA -0.681 57.501 58.200 -0.029 0.000 1.018 258 S CB 1.364 64.563 63.200 -0.002 0.000 1.021 258 S HN 0.622 nan 8.310 nan 0.000 0.483 259 L N 2.467 123.465 121.223 -0.376 0.000 2.376 259 L HA 0.598 4.939 4.340 0.001 0.000 0.275 259 L C -0.216 176.561 176.870 -0.155 0.000 0.987 259 L CA -0.484 54.219 54.840 -0.227 0.000 0.828 259 L CB 1.909 43.742 42.059 -0.375 0.000 1.249 259 L HN 0.788 nan 8.230 nan 0.000 0.409 260 E N 4.557 124.744 120.200 -0.022 0.000 2.114 260 E HA 0.593 4.943 4.350 0.001 0.000 0.266 260 E C -1.188 175.414 176.600 0.003 0.000 0.896 260 E CA -0.420 55.988 56.400 0.013 0.000 0.750 260 E CB 1.174 30.935 29.700 0.103 0.000 1.121 260 E HN 0.538 nan 8.360 nan 0.000 0.413 261 L N 2.251 123.495 121.223 0.034 0.000 2.558 261 L HA 0.648 4.988 4.340 0.001 0.000 0.260 261 L C 1.211 178.092 176.870 0.019 0.000 1.130 261 L CA -1.105 53.770 54.840 0.058 0.000 1.049 261 L CB 0.261 42.402 42.059 0.137 0.000 1.758 261 L HN 0.562 nan 8.230 nan 0.000 0.555 262 G N -1.420 107.376 108.800 -0.006 0.000 2.525 262 G HA2 0.504 4.465 3.960 0.001 0.000 0.276 262 G HA3 0.504 4.465 3.960 0.001 0.000 0.276 262 G C -0.418 174.243 174.900 -0.399 0.000 1.388 262 G CA 0.290 45.279 45.100 -0.184 0.000 1.050 262 G HN 0.840 nan 8.290 nan 0.000 0.520 263 G N -2.051 106.337 108.800 -0.687 0.000 2.649 263 G HA2 0.496 4.457 3.960 0.001 0.000 0.290 263 G HA3 0.496 4.457 3.960 0.001 0.000 0.290 263 G C -1.406 173.031 174.900 -0.771 0.000 1.426 263 G CA -0.633 43.976 45.100 -0.818 0.000 0.794 263 G HN 0.551 nan 8.290 nan 0.000 0.483 264 K N 0.673 120.785 120.400 -0.481 0.000 3.029 264 K HA 0.491 4.812 4.320 0.001 0.000 0.169 264 K C -0.120 176.347 176.600 -0.222 0.000 1.090 264 K CA -0.290 55.823 56.287 -0.290 0.000 0.883 264 K CB 0.339 32.703 32.500 -0.226 0.000 1.080 264 K HN 0.395 nan 8.250 nan 0.000 0.613 265 S N 3.494 119.098 115.700 -0.159 0.000 2.549 265 S HA 0.282 4.753 4.470 0.001 0.000 0.279 265 S C -2.374 172.165 174.600 -0.102 0.000 1.321 265 S CA -0.771 57.369 58.200 -0.100 0.000 1.054 265 S CB 0.584 63.778 63.200 -0.011 0.000 0.899 265 S HN 0.412 nan 8.310 nan 0.000 0.497 266 P HA 0.464 nan 4.420 nan 0.000 0.290 266 P C -0.950 176.343 177.300 -0.011 0.000 1.275 266 P CA -0.665 62.389 63.100 -0.078 0.000 0.841 266 P CB 0.934 32.582 31.700 -0.087 0.000 1.042 267 I N 2.775 123.350 120.570 0.008 0.000 2.382 267 I HA 0.286 4.456 4.170 0.001 0.000 0.286 267 I C -1.087 175.043 176.117 0.022 0.000 1.002 267 I CA -1.061 60.260 61.300 0.034 0.000 1.135 267 I CB 1.341 39.373 38.000 0.054 0.000 1.288 267 I HN -0.032 nan 8.210 nan 0.000 0.448 268 V N 8.025 127.935 119.914 -0.006 0.000 2.350 268 V HA 0.328 4.448 4.120 0.001 0.000 0.276 268 V C -0.174 175.900 176.094 -0.033 0.000 1.028 268 V CA -0.545 61.708 62.300 -0.078 0.000 0.860 268 V CB 1.338 33.056 31.823 -0.174 0.000 0.990 268 V HN 0.464 nan 8.190 nan 0.000 0.453 269 V N 6.306 126.192 119.914 -0.048 0.000 2.326 269 V HA 0.436 4.556 4.120 0.001 0.000 0.281 269 V C -0.113 175.958 176.094 -0.039 0.000 1.015 269 V CA -0.457 61.792 62.300 -0.084 0.000 0.823 269 V CB 0.732 32.337 31.823 -0.363 0.000 1.009 269 V HN 0.614 nan 8.190 nan 0.000 0.436 270 F N 2.916 122.919 119.950 0.087 0.000 2.390 270 F HA 0.226 4.753 4.527 0.001 0.000 0.307 270 F C 1.916 177.673 175.800 -0.071 0.000 1.227 270 F CA -0.048 58.008 58.000 0.094 0.000 1.179 270 F CB 0.683 39.734 39.000 0.085 0.000 1.280 270 F HN 0.610 nan 8.300 nan 0.000 0.548 271 E N 0.926 121.170 120.200 0.073 0.000 2.107 271 E HA -0.164 4.187 4.350 0.001 0.000 0.191 271 E C 0.168 176.765 176.600 -0.006 0.000 0.982 271 E CA 0.989 57.356 56.400 -0.055 0.000 0.809 271 E CB -1.005 28.572 29.700 -0.205 0.000 0.756 271 E HN 0.659 nan 8.360 nan 0.000 0.459 272 D N 1.932 122.342 120.400 0.016 0.000 2.545 272 D HA 0.194 4.834 4.640 0.001 0.000 0.227 272 D C -0.361 175.956 176.300 0.028 0.000 1.150 272 D CA -0.328 53.677 54.000 0.008 0.000 1.046 272 D CB 0.408 41.197 40.800 -0.019 0.000 1.098 272 D HN -0.073 nan 8.370 nan 0.000 0.502 273 V N 1.153 121.089 119.914 0.036 0.000 3.048 273 V HA 0.110 4.231 4.120 0.001 0.000 0.303 273 V C -0.922 175.215 176.094 0.073 0.000 1.214 273 V CA -1.062 61.269 62.300 0.052 0.000 0.984 273 V CB 2.526 34.372 31.823 0.039 0.000 1.054 273 V HN 0.395 nan 8.190 nan 0.000 0.430 274 D N 3.748 124.202 120.400 0.091 0.000 2.338 274 D HA 0.113 4.753 4.640 0.001 0.000 0.255 274 D C 0.765 177.160 176.300 0.157 0.000 1.237 274 D CA -0.077 53.990 54.000 0.111 0.000 0.883 274 D CB 1.605 42.468 40.800 0.104 0.000 1.087 274 D HN 0.311 nan 8.370 nan 0.000 0.485 275 L N 4.119 125.452 121.223 0.183 0.000 2.046 275 L HA -0.130 4.210 4.340 0.001 0.000 0.208 275 L C 2.054 179.086 176.870 0.270 0.000 1.077 275 L CA 1.362 56.374 54.840 0.286 0.000 0.747 275 L CB -0.363 41.864 42.059 0.280 0.000 0.896 275 L HN 0.474 nan 8.230 nan 0.000 0.432 276 D N -0.568 119.959 120.400 0.212 0.000 2.117 276 D HA -0.157 4.483 4.640 0.001 0.000 0.198 276 D C 2.146 178.501 176.300 0.092 0.000 0.982 276 D CA 0.967 55.106 54.000 0.232 0.000 0.828 276 D CB 0.141 41.109 40.800 0.281 0.000 0.967 276 D HN 0.321 nan 8.370 nan 0.000 0.464 277 K N 0.575 121.032 120.400 0.096 0.000 2.057 277 K HA -0.113 4.207 4.320 0.001 0.000 0.207 277 K C 2.240 178.877 176.600 0.061 0.000 1.049 277 K CA 1.146 57.456 56.287 0.038 0.000 0.931 277 K CB -0.065 32.503 32.500 0.113 0.000 0.714 277 K HN 0.122 nan 8.250 nan 0.000 0.440 278 V N -2.035 117.993 119.914 0.190 0.000 2.871 278 V HA 0.059 4.179 4.120 0.001 0.000 0.256 278 V C 2.066 178.302 176.094 0.237 0.000 1.082 278 V CA 1.303 63.782 62.300 0.298 0.000 1.105 278 V CB -0.414 31.585 31.823 0.293 0.000 0.713 278 V HN 0.174 nan 8.190 nan 0.000 0.473 279 A N 1.220 124.050 122.820 0.017 0.000 1.898 279 A HA -0.199 4.121 4.320 0.001 0.000 0.216 279 A C 2.208 179.397 177.584 -0.658 0.000 1.181 279 A CA 1.975 53.782 52.037 -0.383 0.000 0.620 279 A CB -0.622 18.062 19.000 -0.525 0.000 0.819 279 A HN 0.719 nan 8.150 nan 0.000 0.442 280 E N -0.844 118.764 120.200 -0.986 0.000 2.038 280 E HA -0.251 4.099 4.350 0.001 0.000 0.195 280 E C 1.767 178.095 176.600 -0.452 0.000 1.000 280 E CA 1.874 57.635 56.400 -1.064 0.000 0.803 280 E CB -0.556 28.490 29.700 -1.089 0.000 0.750 280 E HN 0.722 nan 8.360 nan 0.000 0.448 281 W N 0.799 121.936 121.300 -0.273 0.000 2.335 281 W HA -0.210 4.451 4.660 0.001 0.000 0.311 281 W C 2.733 179.214 176.519 -0.063 0.000 1.213 281 W CA 1.989 59.252 57.345 -0.137 0.000 1.274 281 W CB -0.606 28.789 29.460 -0.108 0.000 1.148 281 W HN 0.294 nan 8.180 nan 0.000 0.498 282 T N -2.332 112.325 114.554 0.171 0.000 2.708 282 T HA -0.208 4.143 4.350 0.001 0.000 0.266 282 T C 1.684 176.336 174.700 -0.080 0.000 1.037 282 T CA 1.467 63.612 62.100 0.075 0.000 1.146 282 T CB -1.143 67.809 68.868 0.140 0.000 0.865 282 T HN -0.012 nan 8.240 nan 0.000 0.435 283 V N 0.861 120.716 119.914 -0.098 0.000 2.407 283 V HA -0.045 4.075 4.120 0.001 0.000 0.248 283 V C 2.138 178.233 176.094 0.002 0.000 1.055 283 V CA 1.800 64.045 62.300 -0.091 0.000 1.049 283 V CB -0.825 31.085 31.823 0.146 0.000 0.662 283 V HN 0.526 nan 8.190 nan 0.000 0.455 284 F N 1.498 121.402 119.950 -0.077 0.000 2.146 284 F HA -0.038 4.489 4.527 0.001 0.000 0.298 284 F C 2.185 177.961 175.800 -0.039 0.000 1.096 284 F CA 1.700 59.674 58.000 -0.043 0.000 1.275 284 F CB -0.607 38.293 39.000 -0.166 0.000 1.008 284 F HN 0.176 nan 8.300 nan 0.000 0.480 285 G N -1.265 107.533 108.800 -0.003 0.000 2.470 285 G HA2 -0.302 3.659 3.960 0.001 0.000 0.220 285 G HA3 -0.302 3.659 3.960 0.001 0.000 0.220 285 G C 1.565 176.344 174.900 -0.201 0.000 1.121 285 G CA 1.068 46.090 45.100 -0.130 0.000 0.766 285 G HN 0.544 nan 8.290 nan 0.000 0.553 286 C N -1.687 117.430 119.300 -0.305 0.000 3.123 286 C HA 0.511 4.972 4.460 0.001 0.000 0.399 286 C C 2.082 176.921 174.990 -0.252 0.000 1.320 286 C CA -0.175 58.614 59.018 -0.382 0.000 1.949 286 C CB -0.502 26.855 27.740 -0.638 0.000 2.692 286 C HN 0.376 nan 8.230 nan 0.000 0.623 287 F N -0.955 118.994 119.950 -0.001 0.000 2.678 287 F HA 0.288 4.816 4.527 0.001 0.000 0.291 287 F C 0.923 176.723 175.800 0.001 0.000 1.123 287 F CA -0.604 57.403 58.000 0.012 0.000 1.395 287 F CB -0.123 38.913 39.000 0.061 0.000 1.121 287 F HN 0.039 nan 8.300 nan 0.000 0.592 288 F N 2.093 121.986 119.950 -0.094 0.000 2.628 288 F HA -0.039 4.489 4.527 0.001 0.000 0.362 288 F C 1.397 177.093 175.800 -0.172 0.000 1.148 288 F CA 0.762 58.629 58.000 -0.222 0.000 1.352 288 F CB 0.394 38.989 39.000 -0.675 0.000 1.081 288 F HN 0.057 nan 8.300 nan 0.000 0.605 289 T N 3.858 117.938 114.554 -0.790 0.000 4.146 289 T HA -0.288 4.062 4.350 0.001 0.000 0.336 289 T C -0.003 174.498 174.700 -0.331 0.000 0.762 289 T CA 0.741 62.469 62.100 -0.619 0.000 1.914 289 T CB -1.973 66.518 68.868 -0.627 0.000 1.897 289 T HN 0.841 nan 8.240 nan 0.000 0.862 290 N N -1.446 117.133 118.700 -0.200 0.000 2.741 290 N HA -0.215 4.526 4.740 0.001 0.000 0.250 290 N C 1.085 176.560 175.510 -0.059 0.000 1.115 290 N CA 2.092 55.094 53.050 -0.081 0.000 0.724 290 N CB -1.714 36.726 38.487 -0.079 0.000 1.090 290 N HN 1.782 nan 8.380 nan 0.000 0.558 291 G N -0.860 107.898 108.800 -0.070 0.000 2.148 291 G HA2 -0.368 3.592 3.960 0.001 0.000 0.254 291 G HA3 -0.368 3.592 3.960 0.001 0.000 0.254 291 G C 0.036 174.728 174.900 -0.348 0.000 0.981 291 G CA 0.567 45.614 45.100 -0.088 0.000 0.670 291 G HN 0.567 nan 8.290 nan 0.000 0.528 292 Q N -0.011 119.487 119.800 -0.503 0.000 2.936 292 Q HA 0.542 4.883 4.340 0.001 0.000 0.383 292 Q C 0.359 175.803 176.000 -0.927 0.000 1.167 292 Q CA -0.065 55.064 55.803 -1.123 0.000 1.038 292 Q CB 0.339 28.726 28.738 -0.584 0.000 1.409 292 Q HN 0.642 nan 8.270 nan 0.000 0.448 293 I N -1.129 119.091 120.570 -0.583 0.000 2.412 293 I HA 0.140 4.310 4.170 0.001 0.000 0.296 293 I C 0.871 177.011 176.117 0.037 0.000 0.987 293 I CA -0.775 60.461 61.300 -0.106 0.000 1.180 293 I CB 1.648 39.667 38.000 0.031 0.000 1.340 293 I HN 0.346 nan 8.210 nan 0.000 0.455 294 C N 1.601 121.054 119.300 0.255 0.000 2.425 294 C HA -0.113 4.347 4.460 0.001 0.000 0.277 294 C C 2.370 177.472 174.990 0.186 0.000 1.280 294 C CA 1.296 60.489 59.018 0.293 0.000 1.744 294 C CB -0.962 26.928 27.740 0.250 0.000 1.989 294 C HN 0.929 nan 8.230 nan 0.000 0.491 295 S N 0.602 116.459 115.700 0.261 0.000 2.614 295 S HA 0.488 4.958 4.470 0.001 0.000 0.230 295 S C 0.560 175.275 174.600 0.192 0.000 0.952 295 S CA 0.251 58.597 58.200 0.243 0.000 0.949 295 S CB -0.371 63.102 63.200 0.455 0.000 0.786 295 S HN 0.537 nan 8.310 nan 0.000 0.478 296 A N 2.731 125.604 122.820 0.088 0.000 2.598 296 A HA 0.337 4.658 4.320 0.001 0.000 0.239 296 A C 0.900 178.478 177.584 -0.009 0.000 1.032 296 A CA 0.405 52.442 52.037 -0.001 0.000 0.760 296 A CB -0.390 18.574 19.000 -0.061 0.000 0.946 296 A HN 0.666 nan 8.150 nan 0.000 0.512 297 T N 1.091 115.629 114.554 -0.027 0.000 3.414 297 T HA 0.375 4.725 4.350 0.001 0.000 0.304 297 T C 0.871 175.527 174.700 -0.073 0.000 1.241 297 T CA 0.045 62.130 62.100 -0.024 0.000 1.076 297 T CB -0.048 68.825 68.868 0.008 0.000 1.134 297 T HN 0.962 nan 8.240 nan 0.000 0.759 298 S N 1.862 117.512 115.700 -0.083 0.000 2.540 298 S HA 0.231 4.701 4.470 0.001 0.000 0.218 298 S C 0.618 175.178 174.600 -0.066 0.000 0.977 298 S CA -0.809 57.344 58.200 -0.078 0.000 0.918 298 S CB 0.063 63.227 63.200 -0.060 0.000 0.806 298 S HN 0.593 nan 8.310 nan 0.000 0.496 299 R N 1.449 121.887 120.500 -0.104 0.000 2.320 299 R HA 0.425 4.766 4.340 0.001 0.000 0.319 299 R C -1.176 175.140 176.300 0.028 0.000 0.969 299 R CA -0.398 55.645 56.100 -0.095 0.000 0.857 299 R CB 1.265 31.301 30.300 -0.440 0.000 1.160 299 R HN 0.309 nan 8.270 nan 0.000 0.491 300 L N 5.343 126.643 121.223 0.127 0.000 2.305 300 L HA 0.417 4.757 4.340 0.001 0.000 0.281 300 L C -0.566 176.431 176.870 0.212 0.000 1.085 300 L CA -0.332 54.604 54.840 0.160 0.000 0.813 300 L CB 0.811 42.987 42.059 0.195 0.000 1.157 300 L HN 0.685 nan 8.230 nan 0.000 0.436 301 I N 6.433 127.102 120.570 0.165 0.000 2.595 301 I HA 0.187 4.358 4.170 0.001 0.000 0.275 301 I C -0.159 176.103 176.117 0.242 0.000 1.092 301 I CA -0.522 60.890 61.300 0.187 0.000 1.145 301 I CB 1.357 39.406 38.000 0.082 0.000 1.276 301 I HN 0.278 nan 8.210 nan 0.000 0.497 302 V N 1.177 121.230 119.914 0.232 0.000 2.617 302 V HA 0.403 4.523 4.120 0.001 0.000 0.298 302 V C 0.464 176.490 176.094 -0.113 0.000 1.048 302 V CA -0.768 61.592 62.300 0.100 0.000 0.964 302 V CB 1.369 33.209 31.823 0.029 0.000 1.004 302 V HN 0.527 nan 8.190 nan 0.000 0.466 303 H N 2.909 121.655 119.070 -0.540 0.000 2.886 303 H HA 0.071 4.627 4.556 0.001 0.000 0.329 303 H C 1.336 176.395 175.328 -0.448 0.000 1.044 303 H CA 0.862 56.320 56.048 -0.984 0.000 1.456 303 H CB 1.284 30.575 29.762 -0.785 0.000 1.464 303 H HN 1.036 nan 8.280 nan 0.000 0.573 304 E N 2.174 121.960 120.200 -0.690 0.000 2.130 304 E HA -0.251 4.100 4.350 0.001 0.000 0.196 304 E C 1.826 178.367 176.600 -0.098 0.000 0.998 304 E CA 1.708 57.919 56.400 -0.315 0.000 0.806 304 E CB -0.084 29.415 29.700 -0.335 0.000 0.738 304 E HN 0.607 nan 8.360 nan 0.000 0.459 305 S N 1.742 117.471 115.700 0.049 0.000 2.382 305 S HA -0.174 4.297 4.470 0.001 0.000 0.228 305 S C 2.196 176.841 174.600 0.075 0.000 1.027 305 S CA 1.249 59.514 58.200 0.109 0.000 0.991 305 S CB -0.780 62.526 63.200 0.177 0.000 0.823 305 S HN 0.619 nan 8.310 nan 0.000 0.469 306 I N -1.738 118.877 120.570 0.075 0.000 3.968 306 I HA 0.565 4.735 4.170 0.001 0.000 0.328 306 I C 2.274 178.461 176.117 0.116 0.000 1.290 306 I CA 0.238 61.582 61.300 0.074 0.000 1.163 306 I CB -0.342 37.681 38.000 0.038 0.000 1.024 306 I HN 0.235 nan 8.210 nan 0.000 0.413 307 A N 2.465 125.332 122.820 0.078 0.000 1.892 307 A HA -0.199 4.122 4.320 0.001 0.000 0.218 307 A C 2.465 180.147 177.584 0.163 0.000 1.188 307 A CA 3.027 55.138 52.037 0.123 0.000 0.631 307 A CB -1.236 17.791 19.000 0.046 0.000 0.822 307 A HN 0.511 nan 8.150 nan 0.000 0.447 308 V N -0.654 119.325 119.914 0.109 0.000 2.295 308 V HA -0.278 3.843 4.120 0.001 0.000 0.246 308 V C 2.162 178.322 176.094 0.111 0.000 1.049 308 V CA 2.396 64.753 62.300 0.095 0.000 1.024 308 V CB -1.337 30.524 31.823 0.064 0.000 0.648 308 V HN 0.822 nan 8.190 nan 0.000 0.447 309 E N -0.247 120.031 120.200 0.130 0.000 2.250 309 E HA -0.082 4.269 4.350 0.001 0.000 0.192 309 E C 2.013 178.715 176.600 0.170 0.000 0.986 309 E CA 0.815 57.292 56.400 0.128 0.000 0.849 309 E CB -0.525 29.244 29.700 0.115 0.000 0.797 309 E HN 0.544 nan 8.360 nan 0.000 0.482 310 F N 1.969 121.964 119.950 0.075 0.000 2.146 310 F HA -0.098 4.429 4.527 0.001 0.000 0.298 310 F C 1.944 177.802 175.800 0.097 0.000 1.096 310 F CA 1.190 59.241 58.000 0.086 0.000 1.275 310 F CB -0.074 38.971 39.000 0.075 0.000 1.008 310 F HN -0.127 nan 8.300 nan 0.000 0.480 311 V N 0.280 120.255 119.914 0.101 0.000 2.667 311 V HA -0.243 3.877 4.120 0.001 0.000 0.252 311 V C 1.947 178.042 176.094 0.001 0.000 1.065 311 V CA 1.989 64.300 62.300 0.020 0.000 1.083 311 V CB -0.733 31.164 31.823 0.124 0.000 0.692 311 V HN 0.365 nan 8.190 nan 0.000 0.468 312 D N 0.383 120.802 120.400 0.033 0.000 2.117 312 D HA -0.167 4.474 4.640 0.001 0.000 0.198 312 D C 2.192 178.515 176.300 0.038 0.000 0.982 312 D CA 1.337 55.361 54.000 0.041 0.000 0.828 312 D CB -0.062 40.770 40.800 0.052 0.000 0.967 312 D HN 0.327 nan 8.370 nan 0.000 0.464 313 K N -0.486 119.929 120.400 0.025 0.000 2.057 313 K HA -0.119 4.202 4.320 0.001 0.000 0.207 313 K C 2.043 178.733 176.600 0.150 0.000 1.049 313 K CA 0.591 56.935 56.287 0.095 0.000 0.931 313 K CB -0.138 32.416 32.500 0.091 0.000 0.714 313 K HN 0.148 nan 8.250 nan 0.000 0.440 314 L N 0.701 121.884 121.223 -0.067 0.000 2.043 314 L HA -0.204 4.136 4.340 0.001 0.000 0.212 314 L C 2.224 179.179 176.870 0.143 0.000 1.075 314 L CA 1.445 56.272 54.840 -0.022 0.000 0.752 314 L CB -0.636 41.338 42.059 -0.142 0.000 0.891 314 L HN -0.036 nan 8.230 nan 0.000 0.432 315 V N -0.778 119.197 119.914 0.102 0.000 2.307 315 V HA -0.266 3.854 4.120 0.001 0.000 0.245 315 V C 2.577 178.731 176.094 0.100 0.000 1.045 315 V CA 1.432 63.792 62.300 0.101 0.000 1.024 315 V CB -0.596 31.267 31.823 0.066 0.000 0.651 315 V HN 0.410 nan 8.190 nan 0.000 0.449 316 K N -0.990 119.465 120.400 0.091 0.000 2.009 316 K HA -0.228 4.093 4.320 0.001 0.000 0.210 316 K C 1.978 178.592 176.600 0.024 0.000 1.049 316 K CA 1.971 58.273 56.287 0.026 0.000 0.929 316 K CB -0.510 31.980 32.500 -0.017 0.000 0.714 316 K HN 0.546 nan 8.250 nan 0.000 0.440 317 W N 1.060 122.362 121.300 0.003 0.000 2.335 317 W HA -0.181 4.479 4.660 0.001 0.000 0.311 317 W C 2.595 179.142 176.519 0.047 0.000 1.213 317 W CA 1.702 59.061 57.345 0.024 0.000 1.274 317 W CB -0.672 28.807 29.460 0.031 0.000 1.148 317 W HN 0.167 nan 8.180 nan 0.000 0.498 318 A N 0.182 123.185 122.820 0.306 0.000 1.908 318 A HA -0.257 4.063 4.320 0.001 0.000 0.218 318 A C 1.744 179.354 177.584 0.044 0.000 1.181 318 A CA 2.031 54.165 52.037 0.161 0.000 0.627 318 A CB -0.771 18.307 19.000 0.129 0.000 0.818 318 A HN 0.439 nan 8.150 nan 0.000 0.445 319 E N -1.022 119.202 120.200 0.040 0.000 2.358 319 E HA -0.094 4.257 4.350 0.001 0.000 0.195 319 E C 1.261 177.853 176.600 -0.014 0.000 1.010 319 E CA 0.585 56.986 56.400 0.000 0.000 0.856 319 E CB -0.077 29.621 29.700 -0.005 0.000 0.795 319 E HN 0.568 nan 8.360 nan 0.000 0.504 320 N N 0.531 119.223 118.700 -0.012 0.000 2.412 320 N HA 0.041 4.782 4.740 0.001 0.000 0.184 320 N C -0.085 175.428 175.510 0.005 0.000 1.101 320 N CA 0.013 53.037 53.050 -0.043 0.000 0.881 320 N CB 0.277 38.686 38.487 -0.131 0.000 0.969 320 N HN 0.016 nan 8.380 nan 0.000 0.459 321 I N 1.404 122.006 120.570 0.054 0.000 2.587 321 I HA -0.052 4.119 4.170 0.001 0.000 0.284 321 I C 0.882 177.025 176.117 0.043 0.000 1.134 321 I CA 0.073 61.419 61.300 0.077 0.000 1.410 321 I CB 0.406 38.459 38.000 0.088 0.000 1.392 321 I HN -0.059 nan 8.210 nan 0.000 0.545 322 K N 8.186 128.614 120.400 0.048 0.000 2.316 322 K HA 0.273 4.593 4.320 0.001 0.000 0.289 322 K C -0.778 175.855 176.600 0.056 0.000 1.070 322 K CA -0.531 55.777 56.287 0.035 0.000 0.928 322 K CB 0.767 33.280 32.500 0.023 0.000 1.039 322 K HN 0.567 nan 8.250 nan 0.000 0.480 323 I N 2.100 122.713 120.570 0.072 0.000 2.378 323 I HA 0.384 4.555 4.170 0.001 0.000 0.291 323 I C -0.618 175.503 176.117 0.007 0.000 0.992 323 I CA 0.236 61.576 61.300 0.067 0.000 1.154 323 I CB 1.652 39.688 38.000 0.061 0.000 1.315 323 I HN 0.651 nan 8.210 nan 0.000 0.448 324 S N 3.507 119.198 115.700 -0.015 0.000 2.694 324 S HA 0.336 4.806 4.470 0.001 0.000 0.273 324 S C -1.020 173.615 174.600 0.058 0.000 1.180 324 S CA -0.990 57.153 58.200 -0.096 0.000 0.864 324 S CB 0.391 63.580 63.200 -0.019 0.000 1.198 324 S HN 0.858 nan 8.310 nan 0.000 0.499 325 D N 1.977 122.403 120.400 0.043 0.000 2.525 325 D HA 0.122 4.762 4.640 0.001 0.000 0.235 325 D C -1.189 175.167 176.300 0.093 0.000 1.137 325 D CA -0.933 53.141 54.000 0.123 0.000 0.868 325 D CB 1.055 41.885 40.800 0.051 0.000 1.180 325 D HN 0.273 nan 8.370 nan 0.000 0.465 326 P HA -0.092 nan 4.420 nan 0.000 0.228 326 P C 1.242 178.558 177.300 0.026 0.000 1.151 326 P CA 0.775 63.901 63.100 0.042 0.000 0.770 326 P CB 0.242 31.947 31.700 0.008 0.000 0.786 327 L N -1.394 119.843 121.223 0.023 0.000 2.590 327 L HA 0.215 4.556 4.340 0.001 0.000 0.227 327 L C 1.456 178.335 176.870 0.015 0.000 1.099 327 L CA -0.157 54.692 54.840 0.015 0.000 0.872 327 L CB -0.211 41.852 42.059 0.007 0.000 1.088 327 L HN -0.032 nan 8.230 nan 0.000 0.479 328 E N 1.095 121.306 120.200 0.018 0.000 2.404 328 E HA -0.112 4.239 4.350 0.001 0.000 0.261 328 E C 0.910 177.520 176.600 0.017 0.000 1.074 328 E CA 0.030 56.438 56.400 0.013 0.000 0.917 328 E CB 0.904 30.610 29.700 0.009 0.000 0.965 328 E HN 0.129 nan 8.360 nan 0.000 0.433 329 E N 2.098 122.306 120.200 0.012 0.000 2.070 329 E HA -0.191 4.159 4.350 0.001 0.000 0.197 329 E C 1.325 177.938 176.600 0.022 0.000 1.004 329 E CA 1.502 57.911 56.400 0.015 0.000 0.805 329 E CB -0.192 29.514 29.700 0.009 0.000 0.744 329 E HN 0.696 nan 8.360 nan 0.000 0.451 330 G N 0.117 108.928 108.800 0.019 0.000 3.088 330 G HA2 -0.061 3.899 3.960 0.001 0.000 0.217 330 G HA3 -0.061 3.899 3.960 0.001 0.000 0.217 330 G C 0.259 175.182 174.900 0.039 0.000 1.159 330 G CA -0.092 45.024 45.100 0.025 0.000 0.760 330 G HN 0.358 nan 8.290 nan 0.000 0.550 331 C N 1.298 120.622 119.300 0.040 0.000 2.334 331 C HA 0.175 4.636 4.460 0.001 0.000 0.395 331 C C 1.561 176.592 174.990 0.068 0.000 1.507 331 C CA 0.189 59.238 59.018 0.052 0.000 1.494 331 C CB -0.091 27.679 27.740 0.050 0.000 2.509 331 C HN 0.452 nan 8.230 nan 0.000 0.599 332 R N 2.481 123.028 120.500 0.079 0.000 2.544 332 R HA 0.359 4.699 4.340 0.001 0.000 0.303 332 R C -0.927 175.433 176.300 0.099 0.000 0.939 332 R CA -0.079 56.086 56.100 0.107 0.000 1.102 332 R CB 0.224 30.601 30.300 0.128 0.000 1.440 332 R HN 0.681 nan 8.270 nan 0.000 0.532 333 L N -0.210 121.062 121.223 0.081 0.000 2.505 333 L HA 0.655 4.996 4.340 0.001 0.000 0.266 333 L C -0.374 176.567 176.870 0.119 0.000 0.954 333 L CA -0.534 54.351 54.840 0.074 0.000 0.852 333 L CB 1.950 44.052 42.059 0.072 0.000 1.282 333 L HN 0.100 nan 8.230 nan 0.000 0.403 334 G N 3.362 112.208 108.800 0.078 0.000 2.642 334 G HA2 0.730 4.690 3.960 0.001 0.000 0.291 334 G HA3 0.730 4.690 3.960 0.001 0.000 0.291 334 G C -2.908 171.984 174.900 -0.014 0.000 1.345 334 G CA -1.315 43.848 45.100 0.106 0.000 1.043 334 G HN 0.457 nan 8.290 nan 0.000 0.528 335 P HA 0.280 nan 4.420 nan 0.000 0.276 335 P C 0.012 177.142 177.300 -0.282 0.000 1.244 335 P CA -0.460 62.195 63.100 -0.742 0.000 0.801 335 P CB 1.189 32.109 31.700 -1.301 0.000 1.006 336 I N 1.937 122.422 120.570 -0.143 0.000 2.752 336 I HA -0.094 4.077 4.170 0.001 0.000 0.287 336 I C 2.288 178.339 176.117 -0.111 0.000 1.188 336 I CA 0.214 61.490 61.300 -0.040 0.000 1.427 336 I CB 0.360 38.421 38.000 0.102 0.000 1.365 336 I HN 0.202 nan 8.210 nan 0.000 0.585 337 V N 5.478 125.262 119.914 -0.216 0.000 2.370 337 V HA -0.204 3.916 4.120 0.001 0.000 0.252 337 V C 1.145 177.034 176.094 -0.342 0.000 1.068 337 V CA 2.268 64.348 62.300 -0.366 0.000 1.061 337 V CB 0.040 31.355 31.823 -0.846 0.000 0.656 337 V HN 1.011 nan 8.190 nan 0.000 0.455 338 S N -2.874 112.562 115.700 -0.440 0.000 2.656 338 S HA 0.339 4.809 4.470 0.001 0.000 0.273 338 S C 0.478 174.467 174.600 -1.018 0.000 1.168 338 S CA 0.058 57.889 58.200 -0.616 0.000 0.817 338 S CB 1.431 64.358 63.200 -0.456 0.000 1.146 338 S HN 0.298 nan 8.310 nan 0.000 0.475 339 E N 0.645 120.131 120.200 -1.190 0.000 2.051 339 E HA -0.088 4.263 4.350 0.001 0.000 0.192 339 E C 2.136 178.547 176.600 -0.314 0.000 0.991 339 E CA 1.429 57.302 56.400 -0.878 0.000 0.799 339 E CB -0.585 28.846 29.700 -0.449 0.000 0.748 339 E HN 0.753 nan 8.360 nan 0.000 0.449 340 A N 0.953 123.628 122.820 -0.242 0.000 1.892 340 A HA -0.248 4.072 4.320 0.001 0.000 0.218 340 A C 2.199 179.730 177.584 -0.088 0.000 1.188 340 A CA 1.646 53.611 52.037 -0.121 0.000 0.631 340 A CB -0.576 18.364 19.000 -0.099 0.000 0.822 340 A HN 0.288 nan 8.150 nan 0.000 0.447 341 Q N -1.774 117.951 119.800 -0.125 0.000 2.079 341 Q HA -0.169 4.171 4.340 0.001 0.000 0.200 341 Q C 1.955 177.953 176.000 -0.004 0.000 0.974 341 Q CA 1.788 57.564 55.803 -0.045 0.000 0.840 341 Q CB -0.643 28.049 28.738 -0.077 0.000 0.898 341 Q HN 0.848 nan 8.270 nan 0.000 0.430 342 Y N 1.780 121.969 120.300 -0.186 0.000 2.114 342 Y HA -0.263 4.287 4.550 0.001 0.000 0.282 342 Y C 2.180 178.049 175.900 -0.052 0.000 1.165 342 Y CA 1.897 59.927 58.100 -0.117 0.000 1.148 342 Y CB -0.043 38.309 38.460 -0.179 0.000 0.972 342 Y HN -0.015 nan 8.280 nan 0.000 0.504 343 K N 0.043 120.403 120.400 -0.068 0.000 2.097 343 K HA -0.194 4.127 4.320 0.001 0.000 0.206 343 K C 2.141 178.684 176.600 -0.096 0.000 1.049 343 K CA 1.739 57.959 56.287 -0.111 0.000 0.933 343 K CB -0.130 32.361 32.500 -0.015 0.000 0.717 343 K HN 0.319 nan 8.250 nan 0.000 0.442 344 K N 0.307 120.678 120.400 -0.048 0.000 2.057 344 K HA -0.115 4.206 4.320 0.001 0.000 0.207 344 K C 2.001 178.593 176.600 -0.013 0.000 1.049 344 K CA 1.143 57.423 56.287 -0.011 0.000 0.931 344 K CB -0.031 32.484 32.500 0.025 0.000 0.714 344 K HN -0.059 nan 8.250 nan 0.000 0.440 345 V N 1.733 121.628 119.914 -0.032 0.000 2.343 345 V HA -0.229 3.892 4.120 0.001 0.000 0.247 345 V C 2.158 178.208 176.094 -0.073 0.000 1.051 345 V CA 1.563 63.848 62.300 -0.024 0.000 1.036 345 V CB -0.350 31.466 31.823 -0.012 0.000 0.654 345 V HN 0.300 nan 8.190 nan 0.000 0.451 346 L N 0.034 121.150 121.223 -0.178 0.000 2.141 346 L HA -0.127 4.213 4.340 0.001 0.000 0.209 346 L C 2.395 179.216 176.870 -0.082 0.000 1.094 346 L CA 1.237 55.973 54.840 -0.172 0.000 0.763 346 L CB -0.674 41.203 42.059 -0.303 0.000 0.908 346 L HN 0.410 nan 8.230 nan 0.000 0.437 347 N N -0.467 118.196 118.700 -0.061 0.000 2.244 347 N HA -0.141 4.600 4.740 0.001 0.000 0.183 347 N C 1.878 177.392 175.510 0.006 0.000 1.016 347 N CA 1.273 54.311 53.050 -0.020 0.000 0.866 347 N CB -0.268 38.213 38.487 -0.011 0.000 0.980 347 N HN 0.370 nan 8.380 nan 0.000 0.430 348 C N 0.759 120.067 119.300 0.014 0.000 2.425 348 C HA 0.029 4.490 4.460 0.001 0.000 0.277 348 C C 2.724 177.740 174.990 0.043 0.000 1.280 348 C CA 0.121 59.163 59.018 0.041 0.000 1.744 348 C CB -0.935 26.839 27.740 0.056 0.000 1.989 348 C HN 0.389 nan 8.230 nan 0.000 0.491 349 I N 0.681 121.267 120.570 0.027 0.000 2.286 349 I HA -0.145 4.026 4.170 0.001 0.000 0.245 349 I C 2.474 178.608 176.117 0.028 0.000 1.104 349 I CA 1.297 62.616 61.300 0.032 0.000 1.397 349 I CB -0.504 37.507 38.000 0.019 0.000 1.072 349 I HN 0.233 nan 8.210 nan 0.000 0.417 350 S N 0.549 116.259 115.700 0.015 0.000 2.356 350 S HA -0.169 4.302 4.470 0.001 0.000 0.223 350 S C 2.211 176.827 174.600 0.026 0.000 1.032 350 S CA 1.729 59.939 58.200 0.016 0.000 1.005 350 S CB -0.315 62.889 63.200 0.007 0.000 0.867 350 S HN 0.372 nan 8.310 nan 0.000 0.449 351 S N 1.899 117.618 115.700 0.031 0.000 2.383 351 S HA -0.090 4.380 4.470 0.001 0.000 0.229 351 S C 2.250 176.879 174.600 0.049 0.000 1.030 351 S CA 0.980 59.205 58.200 0.040 0.000 1.002 351 S CB -0.575 62.653 63.200 0.047 0.000 0.829 351 S HN 0.619 nan 8.310 nan 0.000 0.467 352 A N 2.034 124.887 122.820 0.056 0.000 1.877 352 A HA -0.154 4.166 4.320 0.001 0.000 0.216 352 A C 2.074 179.689 177.584 0.051 0.000 1.186 352 A CA 1.489 53.565 52.037 0.064 0.000 0.620 352 A CB -0.453 18.592 19.000 0.075 0.000 0.822 352 A HN 0.463 nan 8.150 nan 0.000 0.443 353 K N -0.193 120.233 120.400 0.042 0.000 2.057 353 K HA -0.096 4.224 4.320 0.001 0.000 0.207 353 K C 2.339 178.957 176.600 0.030 0.000 1.049 353 K CA 1.414 57.722 56.287 0.034 0.000 0.931 353 K CB -0.333 32.184 32.500 0.029 0.000 0.714 353 K HN 0.380 nan 8.250 nan 0.000 0.440 354 S N 1.367 117.084 115.700 0.029 0.000 2.392 354 S HA -0.175 4.295 4.470 0.001 0.000 0.232 354 S C 1.525 176.142 174.600 0.027 0.000 1.041 354 S CA 1.479 59.695 58.200 0.026 0.000 1.026 354 S CB -0.155 63.061 63.200 0.027 0.000 0.845 354 S HN 0.356 nan 8.310 nan 0.000 0.465 355 E N -0.633 119.586 120.200 0.033 0.000 2.479 355 E HA 0.239 4.589 4.350 0.001 0.000 0.193 355 E C 0.991 177.606 176.600 0.025 0.000 1.049 355 E CA 0.315 56.734 56.400 0.031 0.000 0.870 355 E CB 0.337 30.061 29.700 0.040 0.000 0.944 355 E HN 0.527 nan 8.360 nan 0.000 0.492 356 G N 1.293 110.108 108.800 0.026 0.000 2.141 356 G HA2 -0.191 3.769 3.960 0.001 0.000 0.195 356 G HA3 -0.191 3.769 3.960 0.001 0.000 0.195 356 G C 0.107 175.022 174.900 0.024 0.000 1.012 356 G CA -0.054 45.058 45.100 0.021 0.000 0.696 356 G HN 0.393 nan 8.290 nan 0.000 0.508 357 A N -0.252 122.588 122.820 0.034 0.000 2.279 357 A HA 0.878 5.198 4.320 0.001 0.000 0.303 357 A C 0.519 178.129 177.584 0.042 0.000 1.108 357 A CA 0.428 52.490 52.037 0.042 0.000 0.830 357 A CB 0.875 19.910 19.000 0.059 0.000 1.106 357 A HN 0.777 nan 8.150 nan 0.000 0.493 358 T N 2.761 117.342 114.554 0.046 0.000 2.767 358 T HA 0.435 4.785 4.350 0.001 0.000 0.284 358 T C -0.054 174.679 174.700 0.055 0.000 0.973 358 T CA -0.229 61.898 62.100 0.045 0.000 0.996 358 T CB 0.490 69.382 68.868 0.040 0.000 0.927 358 T HN 0.368 nan 8.240 nan 0.000 0.456 359 I N 4.575 125.175 120.570 0.050 0.000 2.337 359 I HA 0.177 4.347 4.170 0.001 0.000 0.291 359 I C 1.097 177.245 176.117 0.052 0.000 1.046 359 I CA -0.262 61.072 61.300 0.055 0.000 1.324 359 I CB 0.497 38.525 38.000 0.046 0.000 1.409 359 I HN 0.684 nan 8.210 nan 0.000 0.494 360 L N 3.981 125.242 121.223 0.063 0.000 2.307 360 L HA 0.076 4.417 4.340 0.001 0.000 0.211 360 L C 0.977 177.878 176.870 0.052 0.000 1.099 360 L CA 0.923 55.798 54.840 0.058 0.000 0.816 360 L CB 0.125 42.225 42.059 0.069 0.000 0.952 360 L HN 0.721 nan 8.230 nan 0.000 0.455 361 T N -2.056 112.531 114.554 0.055 0.000 2.786 361 T HA 0.509 4.859 4.350 0.001 0.000 0.316 361 T C -0.157 174.560 174.700 0.028 0.000 1.503 361 T CA 0.145 62.269 62.100 0.039 0.000 1.019 361 T CB 1.325 70.216 68.868 0.038 0.000 1.415 361 T HN 0.418 nan 8.240 nan 0.000 0.496 362 G N 1.545 110.351 108.800 0.010 0.000 2.547 362 G HA2 0.240 4.201 3.960 0.001 0.000 0.271 362 G HA3 0.240 4.201 3.960 0.001 0.000 0.271 362 G C 1.072 175.981 174.900 0.016 0.000 1.209 362 G CA 1.162 46.261 45.100 -0.001 0.000 0.959 362 G HN 2.459 nan 8.290 nan 0.000 0.563 363 G N -1.251 107.558 108.800 0.016 0.000 2.137 363 G HA2 0.152 4.113 3.960 0.001 0.000 0.237 363 G HA3 0.152 4.113 3.960 0.001 0.000 0.237 363 G C 0.247 175.156 174.900 0.015 0.000 1.002 363 G CA 1.799 46.911 45.100 0.020 0.000 0.702 363 G HN 2.118 nan 8.290 nan 0.000 0.515 364 R N -2.213 118.299 120.500 0.021 0.000 2.728 364 R HA 0.657 4.998 4.340 0.001 0.000 0.274 364 R C -0.319 176.019 176.300 0.064 0.000 1.030 364 R CA -1.295 54.825 56.100 0.034 0.000 0.876 364 R CB 0.786 31.105 30.300 0.032 0.000 1.259 364 R HN 0.038 nan 8.270 nan 0.000 0.468 365 R N 1.597 122.153 120.500 0.092 0.000 2.585 365 R HA 0.124 4.465 4.340 0.001 0.000 0.275 365 R C -1.994 174.331 176.300 0.042 0.000 1.018 365 R CA -0.917 55.250 56.100 0.112 0.000 1.072 365 R CB 0.343 30.712 30.300 0.116 0.000 0.953 365 R HN 0.456 nan 8.270 nan 0.000 0.419 366 P HA 0.025 nan 4.420 nan 0.000 0.276 366 P C 0.224 177.456 177.300 -0.113 0.000 1.230 366 P CA -0.182 62.872 63.100 -0.077 0.000 0.776 366 P CB 0.816 32.358 31.700 -0.264 0.000 0.888 367 E N 2.052 122.271 120.200 0.031 0.000 2.204 367 E HA -0.190 4.161 4.350 0.001 0.000 0.194 367 E C 1.520 178.132 176.600 0.019 0.000 0.989 367 E CA 1.392 57.812 56.400 0.034 0.000 0.824 367 E CB -0.217 29.522 29.700 0.065 0.000 0.756 367 E HN 0.669 nan 8.360 nan 0.000 0.477 368 H N -1.751 117.266 119.070 -0.088 0.000 2.502 368 H HA 0.059 4.616 4.556 0.001 0.000 0.283 368 H C 1.922 177.160 175.328 -0.150 0.000 1.015 368 H CA 0.164 56.147 56.048 -0.109 0.000 1.298 368 H CB 0.112 29.805 29.762 -0.115 0.000 1.411 368 H HN 0.021 nan 8.280 nan 0.000 0.556 369 L N 0.460 121.394 121.223 -0.481 0.000 2.127 369 L HA 0.001 4.342 4.340 0.001 0.000 0.203 369 L C 1.450 178.187 176.870 -0.223 0.000 1.080 369 L CA 1.099 55.658 54.840 -0.467 0.000 0.768 369 L CB -0.399 41.155 42.059 -0.843 0.000 0.924 369 L HN 0.333 nan 8.230 nan 0.000 0.444 370 K N -1.339 118.974 120.400 -0.144 0.000 9.641 370 K HA -0.224 4.097 4.320 0.001 0.000 0.509 370 K C 0.766 177.333 176.600 -0.054 0.000 0.371 370 K CA 1.705 57.950 56.287 -0.071 0.000 1.955 370 K CB -1.131 31.333 32.500 -0.060 0.000 0.718 370 K HN 0.193 nan 8.250 nan 0.000 1.078 371 K N 1.227 121.589 120.400 -0.064 0.000 2.210 371 K HA 0.592 4.913 4.320 0.001 0.000 0.236 371 K C 0.547 177.129 176.600 -0.030 0.000 1.016 371 K CA 0.498 56.736 56.287 -0.081 0.000 0.913 371 K CB 1.079 33.521 32.500 -0.095 0.000 1.141 371 K HN 0.647 nan 8.250 nan 0.000 0.462 372 G N 0.231 108.881 108.800 -0.250 0.000 2.712 372 G HA2 -0.232 3.729 3.960 0.001 0.000 0.686 372 G HA3 -0.232 3.729 3.960 0.001 0.000 0.686 372 G C -0.940 173.564 174.900 -0.660 0.000 1.321 372 G CA -0.736 44.085 45.100 -0.465 0.000 0.813 372 G HN 0.490 nan 8.290 nan 0.000 0.599 373 Y N 0.092 119.980 120.300 -0.686 0.000 2.830 373 Y HA 0.500 5.051 4.550 0.001 0.000 0.371 373 Y C 0.832 176.391 175.900 -0.569 0.000 1.246 373 Y CA -0.643 56.919 58.100 -0.898 0.000 1.890 373 Y CB -0.172 37.893 38.460 -0.660 0.000 1.995 373 Y HN 0.348 nan 8.280 nan 0.000 0.430 374 F N 0.229 120.134 119.950 -0.074 0.000 2.399 374 F HA 0.580 5.107 4.527 0.001 0.000 0.334 374 F C -0.019 175.923 175.800 0.236 0.000 1.097 374 F CA -1.112 56.924 58.000 0.061 0.000 1.076 374 F CB 1.266 40.226 39.000 -0.066 0.000 1.162 374 F HN -0.203 nan 8.300 nan 0.000 0.495 375 V N 1.986 122.096 119.914 0.326 0.000 2.686 375 V HA 0.244 4.365 4.120 0.001 0.000 0.306 375 V C -0.394 175.759 176.094 0.099 0.000 1.065 375 V CA -1.306 61.110 62.300 0.193 0.000 0.894 375 V CB 1.802 33.698 31.823 0.122 0.000 1.004 375 V HN 0.675 nan 8.190 nan 0.000 0.424 376 E N 4.356 124.585 120.200 0.048 0.000 2.398 376 E HA 0.178 4.529 4.350 0.001 0.000 0.263 376 E C -2.450 174.083 176.600 -0.111 0.000 1.046 376 E CA -1.460 54.929 56.400 -0.018 0.000 0.908 376 E CB 0.482 30.177 29.700 -0.009 0.000 0.963 376 E HN 0.434 nan 8.360 nan 0.000 0.431 377 P HA -0.019 nan 4.420 nan 0.000 0.261 377 P C -1.106 175.960 177.300 -0.389 0.000 1.203 377 P CA 0.399 63.106 63.100 -0.654 0.000 0.767 377 P CB 0.452 31.526 31.700 -1.045 0.000 0.785 378 T N 5.286 119.745 114.554 -0.159 0.000 2.771 378 T HA 0.487 4.837 4.350 0.001 0.000 0.281 378 T C -0.079 174.759 174.700 0.231 0.000 0.982 378 T CA -0.396 61.737 62.100 0.055 0.000 0.978 378 T CB 0.690 69.601 68.868 0.072 0.000 0.930 378 T HN 0.260 nan 8.240 nan 0.000 0.447 379 I N 5.431 126.118 120.570 0.195 0.000 2.436 379 I HA 0.634 4.804 4.170 0.001 0.000 0.289 379 I C -0.944 175.260 176.117 0.146 0.000 1.010 379 I CA -1.478 59.953 61.300 0.218 0.000 1.098 379 I CB 1.136 39.279 38.000 0.237 0.000 1.266 379 I HN 0.788 nan 8.210 nan 0.000 0.434 380 I N 5.293 125.949 120.570 0.144 0.000 2.646 380 I HA 0.695 4.865 4.170 0.001 0.000 0.299 380 I C -0.689 175.499 176.117 0.118 0.000 1.036 380 I CA -0.056 61.315 61.300 0.118 0.000 1.074 380 I CB 2.482 40.549 38.000 0.113 0.000 1.258 380 I HN 0.559 nan 8.210 nan 0.000 0.430 381 T N 1.376 115.986 114.554 0.094 0.000 2.669 381 T HA 0.354 4.705 4.350 0.001 0.000 0.283 381 T C -1.038 173.697 174.700 0.059 0.000 1.019 381 T CA -0.083 62.067 62.100 0.084 0.000 1.039 381 T CB 0.802 69.716 68.868 0.077 0.000 1.374 381 T HN 0.868 nan 8.240 nan 0.000 0.523 382 D N 0.496 120.919 120.400 0.039 0.000 2.697 382 D HA -0.111 4.530 4.640 0.001 0.000 0.235 382 D C -0.374 175.930 176.300 0.006 0.000 1.167 382 D CA 0.502 54.511 54.000 0.014 0.000 0.656 382 D CB -1.538 39.272 40.800 0.016 0.000 1.025 382 D HN 0.277 nan 8.370 nan 0.000 0.419 383 V N 0.214 120.127 119.914 -0.002 0.000 2.567 383 V HA 0.437 4.557 4.120 0.001 0.000 0.289 383 V C 1.048 177.062 176.094 -0.132 0.000 1.049 383 V CA -0.106 62.186 62.300 -0.013 0.000 0.969 383 V CB 2.156 34.020 31.823 0.069 0.000 0.995 383 V HN 0.120 nan 8.190 nan 0.000 0.471 384 T N 2.169 116.641 114.554 -0.138 0.000 2.918 384 T HA 0.198 4.549 4.350 0.001 0.000 0.286 384 T C 1.209 175.691 174.700 -0.363 0.000 1.026 384 T CA -0.261 61.707 62.100 -0.221 0.000 1.031 384 T CB 1.689 70.493 68.868 -0.108 0.000 1.046 384 T HN 0.787 nan 8.240 nan 0.000 0.479 385 T N 1.865 116.125 114.554 -0.489 0.000 2.822 385 T HA -0.135 4.215 4.350 0.001 0.000 0.270 385 T C 2.097 176.742 174.700 -0.092 0.000 1.064 385 T CA 1.990 63.768 62.100 -0.536 0.000 1.131 385 T CB -0.248 68.440 68.868 -0.300 0.000 0.858 385 T HN 0.730 nan 8.240 nan 0.000 0.483 386 S N -0.298 115.379 115.700 -0.038 0.000 2.558 386 S HA 0.253 4.723 4.470 0.001 0.000 0.217 386 S C 0.763 175.420 174.600 0.095 0.000 0.975 386 S CA -0.243 57.987 58.200 0.051 0.000 0.912 386 S CB -0.356 62.857 63.200 0.020 0.000 0.776 386 S HN 0.374 nan 8.310 nan 0.000 0.526 387 M N 1.640 121.302 119.600 0.103 0.000 2.240 387 M HA 0.203 4.684 4.480 0.001 0.000 0.333 387 M C 1.594 178.012 176.300 0.197 0.000 1.110 387 M CA -0.091 55.288 55.300 0.132 0.000 1.173 387 M CB 0.475 33.147 32.600 0.119 0.000 1.458 387 M HN 0.176 nan 8.290 nan 0.000 0.458 388 Q N 1.016 120.907 119.800 0.152 0.000 2.124 388 Q HA -0.176 4.164 4.340 0.001 0.000 0.202 388 Q C 1.637 177.740 176.000 0.172 0.000 0.977 388 Q CA 1.497 57.392 55.803 0.152 0.000 0.850 388 Q CB -0.243 28.561 28.738 0.111 0.000 0.901 388 Q HN 0.716 nan 8.270 nan 0.000 0.429 389 I N -2.277 118.399 120.570 0.176 0.000 2.756 389 I HA -0.175 3.995 4.170 0.001 0.000 0.262 389 I C 1.863 178.117 176.117 0.228 0.000 1.225 389 I CA 1.023 62.428 61.300 0.176 0.000 1.472 389 I CB -0.723 37.374 38.000 0.161 0.000 1.094 389 I HN 0.286 nan 8.210 nan 0.000 0.454 390 W N 2.239 123.584 121.300 0.075 0.000 2.539 390 W HA 0.043 4.704 4.660 0.001 0.000 0.281 390 W C 2.208 178.784 176.519 0.095 0.000 1.220 390 W CA 0.575 57.964 57.345 0.074 0.000 1.332 390 W CB 0.139 29.638 29.460 0.064 0.000 1.095 390 W HN 0.073 nan 8.180 nan 0.000 0.571 391 R N 0.058 120.692 120.500 0.224 0.000 2.075 391 R HA 0.003 4.343 4.340 0.001 0.000 0.220 391 R C 0.404 176.821 176.300 0.195 0.000 1.118 391 R CA 0.730 56.948 56.100 0.197 0.000 0.986 391 R CB -0.238 30.227 30.300 0.276 0.000 0.884 391 R HN -0.164 nan 8.270 nan 0.000 0.439 392 E N 1.212 121.522 120.200 0.184 0.000 2.214 392 E HA 0.100 4.450 4.350 0.001 0.000 0.274 392 E C -1.019 175.656 176.600 0.125 0.000 0.977 392 E CA -0.402 56.121 56.400 0.206 0.000 0.827 392 E CB 1.509 31.318 29.700 0.182 0.000 1.130 392 E HN 0.095 nan 8.360 nan 0.000 0.394 393 E N 1.530 121.797 120.200 0.111 0.000 2.299 393 E HA 0.077 4.428 4.350 0.001 0.000 0.272 393 E C 0.452 177.118 176.600 0.111 0.000 1.043 393 E CA -0.194 56.229 56.400 0.038 0.000 0.895 393 E CB 0.725 30.390 29.700 -0.059 0.000 1.011 393 E HN 0.182 nan 8.360 nan 0.000 0.432 394 V N 5.323 125.314 119.914 0.128 0.000 2.446 394 V HA -0.098 4.022 4.120 0.001 0.000 0.244 394 V C 0.906 177.154 176.094 0.258 0.000 1.039 394 V CA 0.580 62.971 62.300 0.152 0.000 1.045 394 V CB -0.681 31.212 31.823 0.117 0.000 0.681 394 V HN 0.961 nan 8.190 nan 0.000 0.459 395 F N 0.823 120.795 119.950 0.036 0.000 3.091 395 F HA -0.088 4.439 4.527 0.001 0.000 0.288 395 F C 0.579 176.437 175.800 0.096 0.000 0.907 395 F CA 0.733 58.770 58.000 0.061 0.000 1.028 395 F CB -1.125 37.928 39.000 0.088 0.000 1.022 395 F HN 0.286 nan 8.300 nan 0.000 0.665 396 G N -0.449 108.407 108.800 0.092 0.000 2.725 396 G HA2 0.668 4.628 3.960 0.001 0.000 0.288 396 G HA3 0.668 4.628 3.960 0.001 0.000 0.288 396 G C -3.074 171.886 174.900 0.100 0.000 1.399 396 G CA -0.968 44.177 45.100 0.075 0.000 0.859 396 G HN -0.138 nan 8.290 nan 0.000 0.479 397 P HA 0.307 nan 4.420 nan 0.000 0.237 397 P C -0.697 176.842 177.300 0.399 0.000 1.788 397 P CA -0.125 63.168 63.100 0.322 0.000 1.061 397 P CB 0.402 32.179 31.700 0.129 0.000 1.967 398 V N 4.235 124.358 119.914 0.349 0.000 2.488 398 V HA 0.258 4.379 4.120 0.001 0.000 0.293 398 V C -0.176 176.044 176.094 0.210 0.000 1.027 398 V CA -0.790 61.676 62.300 0.277 0.000 0.862 398 V CB 2.150 34.067 31.823 0.157 0.000 1.008 398 V HN 0.179 nan 8.190 nan 0.000 0.428 399 L N 4.931 126.297 121.223 0.239 0.000 2.296 399 L HA 0.920 5.260 4.340 0.001 0.000 0.286 399 L C 0.327 177.282 176.870 0.142 0.000 1.023 399 L CA 0.028 54.932 54.840 0.107 0.000 0.812 399 L CB 1.345 43.417 42.059 0.022 0.000 1.223 399 L HN 0.737 nan 8.230 nan 0.000 0.421 400 A N 4.936 127.837 122.820 0.136 0.000 2.312 400 A HA 0.777 5.098 4.320 0.001 0.000 0.326 400 A C -1.110 176.618 177.584 0.240 0.000 1.172 400 A CA -0.522 51.637 52.037 0.203 0.000 0.821 400 A CB 1.187 20.345 19.000 0.264 0.000 1.166 400 A HN 0.534 nan 8.150 nan 0.000 0.493 401 V N 3.783 123.839 119.914 0.237 0.000 2.443 401 V HA 0.405 4.525 4.120 0.001 0.000 0.293 401 V C -0.259 175.946 176.094 0.185 0.000 1.021 401 V CA -0.770 61.662 62.300 0.221 0.000 0.848 401 V CB 1.469 33.397 31.823 0.176 0.000 0.998 401 V HN 0.898 nan 8.190 nan 0.000 0.424 402 K N 1.570 122.093 120.400 0.206 0.000 2.238 402 K HA 0.717 5.038 4.320 0.001 0.000 0.239 402 K C -0.376 176.287 176.600 0.104 0.000 0.987 402 K CA -0.574 55.756 56.287 0.071 0.000 0.857 402 K CB 2.447 34.899 32.500 -0.081 0.000 1.154 402 K HN 0.633 nan 8.250 nan 0.000 0.439 403 T N 1.144 115.726 114.554 0.047 0.000 2.912 403 T HA 0.696 5.046 4.350 0.001 0.000 0.288 403 T C -1.148 173.595 174.700 0.071 0.000 1.030 403 T CA -0.554 61.565 62.100 0.032 0.000 1.020 403 T CB 0.398 69.243 68.868 -0.038 0.000 1.056 403 T HN 0.418 nan 8.240 nan 0.000 0.480 404 F N 0.513 120.368 119.950 -0.158 0.000 2.643 404 F HA 0.724 5.252 4.527 0.001 0.000 0.314 404 F C 0.687 176.282 175.800 -0.341 0.000 1.096 404 F CA -0.703 57.185 58.000 -0.186 0.000 0.953 404 F CB 1.240 40.154 39.000 -0.144 0.000 1.345 404 F HN 0.478 nan 8.300 nan 0.000 0.468 405 S N -0.428 115.127 115.700 -0.240 0.000 2.807 405 S HA 0.241 4.711 4.470 0.001 0.000 0.247 405 S C 0.536 175.189 174.600 0.089 0.000 1.078 405 S CA 0.685 58.629 58.200 -0.428 0.000 0.867 405 S CB -0.464 62.605 63.200 -0.218 0.000 0.797 405 S HN 1.096 nan 8.310 nan 0.000 0.515 406 T N -0.464 114.274 114.554 0.306 0.000 2.944 406 T HA 0.518 4.869 4.350 0.001 0.000 0.284 406 T C 0.708 175.667 174.700 0.431 0.000 1.010 406 T CA -0.316 61.996 62.100 0.353 0.000 1.025 406 T CB 1.815 70.798 68.868 0.192 0.000 1.079 406 T HN 0.291 nan 8.240 nan 0.000 0.516 407 E N 0.405 120.828 120.200 0.372 0.000 2.077 407 E HA -0.194 4.156 4.350 0.001 0.000 0.193 407 E C 1.617 178.284 176.600 0.112 0.000 0.989 407 E CA 1.490 58.071 56.400 0.301 0.000 0.800 407 E CB -0.074 29.795 29.700 0.282 0.000 0.746 407 E HN 0.815 nan 8.360 nan 0.000 0.452 408 E N 0.725 120.985 120.200 0.100 0.000 2.110 408 E HA -0.214 4.136 4.350 0.001 0.000 0.193 408 E C 1.877 178.493 176.600 0.026 0.000 0.988 408 E CA 1.359 57.790 56.400 0.051 0.000 0.804 408 E CB -0.144 29.587 29.700 0.052 0.000 0.745 408 E HN 0.357 nan 8.360 nan 0.000 0.458 409 E N 0.171 120.401 120.200 0.048 0.000 2.106 409 E HA -0.165 4.185 4.350 0.001 0.000 0.192 409 E C 1.947 178.502 176.600 -0.076 0.000 0.984 409 E CA 0.902 57.322 56.400 0.033 0.000 0.806 409 E CB -0.061 29.707 29.700 0.114 0.000 0.750 409 E HN 0.283 nan 8.360 nan 0.000 0.458 410 A N 1.906 124.565 122.820 -0.267 0.000 1.873 410 A HA -0.152 4.169 4.320 0.001 0.000 0.215 410 A C 2.266 179.674 177.584 -0.293 0.000 1.186 410 A CA 1.416 53.063 52.037 -0.649 0.000 0.616 410 A CB -0.707 17.528 19.000 -1.274 0.000 0.823 410 A HN 0.541 nan 8.150 nan 0.000 0.442 411 I N -1.023 119.457 120.570 -0.150 0.000 2.315 411 I HA -0.168 4.002 4.170 0.001 0.000 0.248 411 I C 1.364 177.461 176.117 -0.033 0.000 1.117 411 I CA 2.197 63.454 61.300 -0.072 0.000 1.404 411 I CB -1.380 36.602 38.000 -0.029 0.000 1.071 411 I HN 0.145 nan 8.210 nan 0.000 0.419 412 N N 1.869 120.559 118.700 -0.017 0.000 2.166 412 N HA -0.091 4.649 4.740 0.001 0.000 0.186 412 N C 2.044 177.590 175.510 0.059 0.000 1.019 412 N CA 1.420 54.481 53.050 0.018 0.000 0.856 412 N CB -0.444 38.055 38.487 0.020 0.000 0.993 412 N HN 0.443 nan 8.380 nan 0.000 0.426 413 L N 0.457 121.717 121.223 0.062 0.000 2.056 413 L HA -0.046 4.294 4.340 0.001 0.000 0.207 413 L C 2.351 179.354 176.870 0.221 0.000 1.078 413 L CA 0.977 55.931 54.840 0.189 0.000 0.749 413 L CB -0.408 41.748 42.059 0.161 0.000 0.901 413 L HN 0.099 nan 8.230 nan 0.000 0.433 414 A N 0.044 122.902 122.820 0.064 0.000 1.933 414 A HA -0.173 4.147 4.320 0.001 0.000 0.218 414 A C 1.818 179.396 177.584 -0.009 0.000 1.175 414 A CA 1.713 53.750 52.037 0.001 0.000 0.628 414 A CB -0.435 18.534 19.000 -0.052 0.000 0.814 414 A HN 0.428 nan 8.150 nan 0.000 0.444 415 N N 0.204 118.911 118.700 0.012 0.000 2.398 415 N HA 0.005 4.746 4.740 0.001 0.000 0.188 415 N C -0.296 175.240 175.510 0.042 0.000 1.122 415 N CA 0.411 53.466 53.050 0.008 0.000 0.866 415 N CB -0.109 38.379 38.487 0.002 0.000 0.970 415 N HN 0.490 nan 8.380 nan 0.000 0.462 416 D N 0.645 121.105 120.400 0.101 0.000 2.608 416 D HA 0.096 4.736 4.640 0.001 0.000 0.224 416 D C -0.682 175.697 176.300 0.133 0.000 1.123 416 D CA 0.167 54.271 54.000 0.173 0.000 1.030 416 D CB -0.089 40.909 40.800 0.329 0.000 1.093 416 D HN -0.093 nan 8.370 nan 0.000 0.497 417 T N 0.668 115.257 114.554 0.059 0.000 2.893 417 T HA 0.071 4.422 4.350 0.001 0.000 0.337 417 T C 0.607 175.303 174.700 -0.006 0.000 1.587 417 T CA -0.744 61.350 62.100 -0.011 0.000 1.066 417 T CB 0.642 69.438 68.868 -0.121 0.000 1.414 417 T HN 0.352 nan 8.240 nan 0.000 0.488 418 H N 1.983 121.005 119.070 -0.081 0.000 2.548 418 H HA 0.206 4.762 4.556 0.001 0.000 0.268 418 H C 0.214 175.425 175.328 -0.194 0.000 0.975 418 H CA -0.042 55.910 56.048 -0.160 0.000 1.195 418 H CB -0.355 29.263 29.762 -0.240 0.000 1.397 418 H HN 0.499 nan 8.280 nan 0.000 0.572 419 Y N 0.764 120.877 120.300 -0.313 0.000 2.286 419 Y HA 0.428 4.979 4.550 0.001 0.000 0.347 419 Y C 1.252 177.069 175.900 -0.137 0.000 1.351 419 Y CA 0.190 58.163 58.100 -0.211 0.000 1.640 419 Y CB 1.197 39.495 38.460 -0.271 0.000 1.560 419 Y HN 0.254 nan 8.280 nan 0.000 0.574 420 G N 0.365 109.215 108.800 0.084 0.000 4.529 420 G HA2 0.147 4.108 3.960 0.001 0.000 0.230 420 G HA3 0.147 4.108 3.960 0.001 0.000 0.230 420 G C -0.670 174.174 174.900 -0.093 0.000 3.287 420 G CA -0.306 44.776 45.100 -0.029 0.000 0.646 420 G HN 0.448 nan 8.290 nan 0.000 0.205 421 L N 0.792 121.941 121.223 -0.123 0.000 2.208 421 L HA 0.771 5.112 4.340 0.001 0.000 0.196 421 L C 1.356 178.010 176.870 -0.360 0.000 1.130 421 L CA 1.903 56.606 54.840 -0.227 0.000 0.791 421 L CB -0.543 41.417 42.059 -0.165 0.000 0.969 421 L HN 0.303 nan 8.230 nan 0.000 0.468 422 G N -1.103 107.530 108.800 -0.278 0.000 2.601 422 G HA2 0.607 4.568 3.960 0.001 0.000 0.317 422 G HA3 0.607 4.568 3.960 0.001 0.000 0.317 422 G C -1.405 173.383 174.900 -0.186 0.000 1.246 422 G CA 0.243 45.136 45.100 -0.343 0.000 1.012 422 G HN 0.695 nan 8.290 nan 0.000 0.494 423 S N -2.527 113.092 115.700 -0.135 0.000 2.614 423 S HA 0.681 5.152 4.470 0.001 0.000 0.280 423 S C -0.995 173.679 174.600 0.123 0.000 1.111 423 S CA -0.173 58.018 58.200 -0.015 0.000 0.847 423 S CB 1.104 64.241 63.200 -0.104 0.000 1.079 423 S HN 2.242 nan 8.310 nan 0.000 0.452 424 A N 1.391 124.291 122.820 0.133 0.000 2.408 424 A HA 0.767 5.088 4.320 0.001 0.000 0.295 424 A C -0.950 176.676 177.584 0.071 0.000 1.040 424 A CA -0.777 51.353 52.037 0.156 0.000 0.707 424 A CB 1.525 20.633 19.000 0.180 0.000 1.235 424 A HN 1.464 nan 8.150 nan 0.000 0.418 425 V N 3.099 123.049 119.914 0.061 0.000 2.427 425 V HA 0.594 4.715 4.120 0.001 0.000 0.286 425 V C -0.347 175.789 176.094 0.069 0.000 1.034 425 V CA -0.525 61.825 62.300 0.083 0.000 0.893 425 V CB 1.400 33.273 31.823 0.083 0.000 0.982 425 V HN 0.839 nan 8.190 nan 0.000 0.452 426 M N 4.882 124.552 119.600 0.117 0.000 2.046 426 M HA 0.633 5.114 4.480 0.001 0.000 0.309 426 M C -0.322 176.076 176.300 0.164 0.000 0.935 426 M CA -0.176 55.178 55.300 0.090 0.000 0.915 426 M CB 0.872 33.504 32.600 0.054 0.000 1.474 426 M HN 0.898 nan 8.290 nan 0.000 0.415 427 S N 2.014 117.769 115.700 0.090 0.000 2.558 427 S HA 0.465 4.935 4.470 0.001 0.000 0.277 427 S C -0.209 174.389 174.600 -0.003 0.000 1.143 427 S CA -0.722 57.509 58.200 0.052 0.000 0.865 427 S CB 1.139 64.322 63.200 -0.027 0.000 1.102 427 S HN 0.521 nan 8.310 nan 0.000 0.454 428 N N 1.317 120.013 118.700 -0.008 0.000 2.396 428 N HA 0.053 4.794 4.740 0.001 0.000 0.180 428 N C -0.128 175.358 175.510 -0.040 0.000 1.028 428 N CA 0.733 53.775 53.050 -0.014 0.000 0.893 428 N CB -0.196 38.290 38.487 -0.002 0.000 0.967 428 N HN 0.758 nan 8.380 nan 0.000 0.440 429 D N 0.952 121.307 120.400 -0.075 0.000 2.383 429 D HA 0.039 4.679 4.640 0.001 0.000 0.245 429 D C 1.093 177.332 176.300 -0.101 0.000 1.263 429 D CA -0.052 53.889 54.000 -0.098 0.000 0.936 429 D CB 0.332 41.045 40.800 -0.146 0.000 1.053 429 D HN 0.114 nan 8.370 nan 0.000 0.507 430 L N 2.678 123.860 121.223 -0.068 0.000 2.291 430 L HA -0.048 4.292 4.340 0.001 0.000 0.214 430 L C 2.201 179.031 176.870 -0.067 0.000 1.120 430 L CA 0.539 55.343 54.840 -0.059 0.000 0.799 430 L CB -0.141 41.894 42.059 -0.039 0.000 0.925 430 L HN 0.453 nan 8.230 nan 0.000 0.446 431 E N 0.566 120.723 120.200 -0.073 0.000 2.150 431 E HA -0.228 4.122 4.350 0.001 0.000 0.193 431 E C 2.350 178.894 176.600 -0.093 0.000 0.985 431 E CA 0.744 57.101 56.400 -0.071 0.000 0.814 431 E CB 0.188 29.849 29.700 -0.064 0.000 0.752 431 E HN 0.320 nan 8.360 nan 0.000 0.466 432 R N -0.118 120.299 120.500 -0.138 0.000 2.062 432 R HA -0.092 4.248 4.340 0.001 0.000 0.229 432 R C 2.405 178.608 176.300 -0.162 0.000 1.128 432 R CA 1.438 57.417 56.100 -0.203 0.000 0.960 432 R CB -0.414 29.663 30.300 -0.373 0.000 0.855 432 R HN 0.273 nan 8.270 nan 0.000 0.432 433 C N 0.884 120.105 119.300 -0.132 0.000 2.401 433 C HA -0.127 4.334 4.460 0.001 0.000 0.276 433 C C 2.549 177.507 174.990 -0.054 0.000 1.233 433 C CA 1.252 60.229 59.018 -0.069 0.000 1.753 433 C CB -0.899 26.810 27.740 -0.051 0.000 2.029 433 C HN 0.640 nan 8.230 nan 0.000 0.478 434 E N 0.369 120.533 120.200 -0.059 0.000 2.072 434 E HA -0.195 4.155 4.350 0.001 0.000 0.191 434 E C 2.427 178.998 176.600 -0.048 0.000 0.985 434 E CA 0.919 57.289 56.400 -0.051 0.000 0.801 434 E CB -0.164 29.508 29.700 -0.047 0.000 0.750 434 E HN 0.516 nan 8.360 nan 0.000 0.452 435 R N -0.180 120.289 120.500 -0.052 0.000 2.091 435 R HA -0.160 4.181 4.340 0.001 0.000 0.238 435 R C 2.444 178.726 176.300 -0.030 0.000 1.136 435 R CA 1.288 57.363 56.100 -0.041 0.000 0.959 435 R CB -0.208 30.064 30.300 -0.046 0.000 0.856 435 R HN 0.208 nan 8.270 nan 0.000 0.437 436 L N 0.277 121.486 121.223 -0.024 0.000 2.093 436 L HA -0.146 4.194 4.340 0.001 0.000 0.208 436 L C 2.469 179.323 176.870 -0.026 0.000 1.085 436 L CA 1.717 56.556 54.840 -0.002 0.000 0.755 436 L CB -0.419 41.670 42.059 0.050 0.000 0.904 436 L HN 0.222 nan 8.230 nan 0.000 0.435 437 S N -1.143 114.532 115.700 -0.040 0.000 2.442 437 S HA -0.211 4.259 4.470 0.001 0.000 0.236 437 S C 1.923 176.481 174.600 -0.070 0.000 1.007 437 S CA 1.032 59.194 58.200 -0.065 0.000 0.965 437 S CB -0.371 62.787 63.200 -0.070 0.000 0.773 437 S HN 0.431 nan 8.310 nan 0.000 0.504 438 K N 0.880 121.248 120.400 -0.054 0.000 2.186 438 K HA 0.294 4.615 4.320 0.001 0.000 0.202 438 K C 2.360 178.932 176.600 -0.047 0.000 1.052 438 K CA 0.822 57.078 56.287 -0.051 0.000 0.965 438 K CB -0.229 32.247 32.500 -0.041 0.000 0.746 438 K HN 0.478 nan 8.250 nan 0.000 0.457 439 A N 1.115 123.912 122.820 -0.039 0.000 2.030 439 A HA 0.100 4.421 4.320 0.001 0.000 0.215 439 A C 0.909 178.468 177.584 -0.041 0.000 1.164 439 A CA 0.111 52.129 52.037 -0.032 0.000 0.697 439 A CB -0.140 18.849 19.000 -0.019 0.000 0.827 439 A HN 0.099 nan 8.150 nan 0.000 0.457 440 L N 1.416 122.607 121.223 -0.052 0.000 2.477 440 L HA 0.051 4.392 4.340 0.001 0.000 0.272 440 L C -0.016 176.805 176.870 -0.081 0.000 1.157 440 L CA -0.098 54.702 54.840 -0.066 0.000 0.889 440 L CB 0.519 42.530 42.059 -0.079 0.000 1.158 440 L HN 0.384 nan 8.230 nan 0.000 0.473 441 Q N 3.980 123.738 119.800 -0.070 0.000 2.534 441 Q HA 0.534 4.874 4.340 0.001 0.000 0.223 441 Q C -0.278 175.663 176.000 -0.098 0.000 1.239 441 Q CA -0.205 55.554 55.803 -0.073 0.000 0.936 441 Q CB 0.751 29.460 28.738 -0.048 0.000 1.457 441 Q HN 0.713 nan 8.270 nan 0.000 0.547 442 A N 0.335 123.073 122.820 -0.138 0.000 2.609 442 A HA 0.711 5.032 4.320 0.001 0.000 0.291 442 A C 0.584 178.022 177.584 -0.243 0.000 1.096 442 A CA -0.322 51.600 52.037 -0.192 0.000 0.684 442 A CB 0.897 19.759 19.000 -0.230 0.000 1.282 442 A HN 0.543 nan 8.150 nan 0.000 0.412 443 G N -0.424 108.189 108.800 -0.312 0.000 2.492 443 G HA2 0.344 4.304 3.960 0.001 0.000 0.214 443 G HA3 0.344 4.304 3.960 0.001 0.000 0.214 443 G C 0.383 174.988 174.900 -0.492 0.000 1.147 443 G CA 0.693 45.575 45.100 -0.364 0.000 0.809 443 G HN 0.525 nan 8.290 nan 0.000 0.533 444 I N 1.453 121.636 120.570 -0.645 0.000 2.433 444 I HA 0.462 4.632 4.170 0.001 0.000 0.292 444 I C -0.892 174.759 176.117 -0.777 0.000 1.001 444 I CA -1.238 59.552 61.300 -0.849 0.000 1.119 444 I CB 1.489 38.669 38.000 -1.367 0.000 1.289 444 I HN -0.286 nan 8.210 nan 0.000 0.438 445 V N 5.033 124.558 119.914 -0.649 0.000 2.444 445 V HA 0.412 4.532 4.120 0.001 0.000 0.294 445 V C -0.659 175.173 176.094 -0.437 0.000 1.022 445 V CA -0.648 61.377 62.300 -0.459 0.000 0.850 445 V CB 2.090 33.764 31.823 -0.248 0.000 0.992 445 V HN 0.571 nan 8.190 nan 0.000 0.426 446 W N 4.926 126.156 121.300 -0.116 0.000 2.417 446 W HA 0.645 5.305 4.660 0.001 0.000 0.317 446 W C -0.430 176.006 176.519 -0.139 0.000 1.121 446 W CA -0.940 56.327 57.345 -0.131 0.000 1.208 446 W CB 1.571 30.933 29.460 -0.164 0.000 1.253 446 W HN 0.390 nan 8.180 nan 0.000 0.533 447 I N 4.540 125.155 120.570 0.075 0.000 2.382 447 I HA 0.112 4.282 4.170 0.001 0.000 0.286 447 I C 0.214 176.282 176.117 -0.081 0.000 1.002 447 I CA -0.558 60.739 61.300 -0.005 0.000 1.135 447 I CB 0.974 38.966 38.000 -0.013 0.000 1.288 447 I HN 0.457 nan 8.210 nan 0.000 0.448 448 N N 3.539 122.167 118.700 -0.119 0.000 2.741 448 N HA -0.171 4.569 4.740 0.001 0.000 0.251 448 N C -0.557 174.596 175.510 -0.594 0.000 1.112 448 N CA 1.183 54.111 53.050 -0.203 0.000 0.750 448 N CB -1.130 37.307 38.487 -0.084 0.000 1.119 448 N HN 0.820 nan 8.380 nan 0.000 0.561 449 C N -3.717 115.101 119.300 -0.802 0.000 3.314 449 C HA 0.959 5.420 4.460 0.001 0.000 0.344 449 C C -0.888 173.502 174.990 -0.999 0.000 1.461 449 C CA -0.413 57.522 59.018 -1.805 0.000 1.249 449 C CB 1.711 28.349 27.740 -1.838 0.000 1.632 449 C HN 0.587 nan 8.230 nan 0.000 0.452 450 A N 0.076 122.278 122.820 -1.030 0.000 2.488 450 A HA 0.751 5.071 4.320 0.001 0.000 0.295 450 A C -0.283 176.812 177.584 -0.815 0.000 1.045 450 A CA 0.057 51.618 52.037 -0.793 0.000 0.703 450 A CB 1.110 19.953 19.000 -0.261 0.000 1.271 450 A HN 1.529 nan 8.150 nan 0.000 0.400 451 Q N -2.233 116.467 119.800 -1.834 0.000 2.393 451 Q HA -0.097 4.244 4.340 0.001 0.000 0.181 451 Q C -2.332 173.487 176.000 -0.302 0.000 0.594 451 Q CA 1.457 56.724 55.803 -0.893 0.000 1.339 451 Q CB -2.872 25.641 28.738 -0.375 0.000 1.164 451 Q HN 0.677 nan 8.270 nan 0.000 0.974 452 P HA 0.329 nan 4.420 nan 0.000 0.280 452 P C -0.525 176.796 177.300 0.035 0.000 1.244 452 P CA 0.036 63.039 63.100 -0.161 0.000 0.784 452 P CB 1.214 32.756 31.700 -0.264 0.000 0.913 453 S N 2.438 118.020 115.700 -0.196 0.000 2.622 453 S HA 0.519 4.990 4.470 0.001 0.000 0.283 453 S C -0.530 173.895 174.600 -0.292 0.000 1.197 453 S CA -0.739 57.390 58.200 -0.119 0.000 1.146 453 S CB -0.521 62.453 63.200 -0.377 0.000 1.007 453 S HN 0.109 nan 8.310 nan 0.000 0.478 454 F N 3.090 123.062 119.950 0.037 0.000 2.399 454 F HA 0.310 4.837 4.527 0.001 0.000 0.342 454 F C 1.949 177.627 175.800 -0.204 0.000 1.106 454 F CA -1.243 56.719 58.000 -0.063 0.000 1.196 454 F CB 0.778 39.760 39.000 -0.031 0.000 1.163 454 F HN 0.545 nan 8.300 nan 0.000 0.547 455 I N -0.249 120.247 120.570 -0.123 0.000 2.916 455 I HA -0.153 4.017 4.170 0.001 0.000 0.267 455 I C 1.118 176.869 176.117 -0.610 0.000 1.263 455 I CA 1.176 62.218 61.300 -0.430 0.000 1.471 455 I CB -0.736 36.962 38.000 -0.502 0.000 1.089 455 I HN 0.635 nan 8.210 nan 0.000 0.468 456 Q N 1.940 121.510 119.800 -0.383 0.000 2.389 456 Q HA 0.364 4.704 4.340 0.001 0.000 0.204 456 Q C 0.800 176.797 176.000 -0.004 0.000 0.944 456 Q CA 0.872 56.522 55.803 -0.256 0.000 0.908 456 Q CB 0.086 28.754 28.738 -0.117 0.000 1.002 456 Q HN 0.698 nan 8.270 nan 0.000 0.493 457 A N 1.590 124.415 122.820 0.007 0.000 2.330 457 A HA 0.584 4.904 4.320 0.001 0.000 0.327 457 A C -2.521 175.041 177.584 -0.037 0.000 1.155 457 A CA -1.934 50.117 52.037 0.023 0.000 0.803 457 A CB 0.562 19.598 19.000 0.060 0.000 1.208 457 A HN -0.073 nan 8.150 nan 0.000 0.477 458 P HA 0.043 nan 4.420 nan 0.000 0.267 458 P C -0.850 176.349 177.300 -0.169 0.000 1.205 458 P CA 0.196 63.113 63.100 -0.305 0.000 0.765 458 P CB 0.500 31.566 31.700 -1.057 0.000 0.828 459 W N 4.154 125.296 121.300 -0.263 0.000 2.656 459 W HA 0.576 5.236 4.660 0.001 0.000 0.327 459 W C -0.710 175.731 176.519 -0.130 0.000 1.041 459 W CA 0.136 57.359 57.345 -0.204 0.000 1.229 459 W CB 2.529 31.853 29.460 -0.226 0.000 1.397 459 W HN 0.706 nan 8.180 nan 0.000 0.479 460 G N 1.876 110.414 108.800 -0.436 0.000 2.322 460 G HA2 0.435 4.396 3.960 0.001 0.000 0.295 460 G HA3 0.435 4.396 3.960 0.001 0.000 0.295 460 G C -1.506 173.197 174.900 -0.329 0.000 1.369 460 G CA -0.206 44.751 45.100 -0.239 0.000 0.821 460 G HN 0.725 nan 8.290 nan 0.000 0.536 461 G N -1.244 107.453 108.800 -0.171 0.000 2.644 461 G HA2 0.892 4.852 3.960 0.001 0.000 0.307 461 G HA3 0.892 4.852 3.960 0.001 0.000 0.307 461 G C -0.181 174.683 174.900 -0.060 0.000 1.250 461 G CA -0.206 44.808 45.100 -0.143 0.000 0.996 461 G HN 1.471 nan 8.290 nan 0.000 0.489 462 I N -3.298 117.245 120.570 -0.045 0.000 3.436 462 I HA 0.794 4.965 4.170 0.001 0.000 0.300 462 I C 0.413 176.551 176.117 0.035 0.000 1.131 462 I CA -1.118 60.185 61.300 0.006 0.000 1.001 462 I CB 1.737 39.720 38.000 -0.029 0.000 1.305 462 I HN 0.705 nan 8.210 nan 0.000 0.494 463 K N -0.045 120.384 120.400 0.047 0.000 1.939 463 K HA -0.269 4.052 4.320 0.001 0.000 0.165 463 K C 0.788 177.434 176.600 0.076 0.000 1.508 463 K CA 1.871 58.186 56.287 0.047 0.000 0.525 463 K CB -0.836 31.675 32.500 0.018 0.000 0.615 463 K HN 0.638 nan 8.250 nan 0.000 0.888 464 R N 0.790 121.316 120.500 0.043 0.000 2.319 464 R HA 0.110 4.450 4.340 0.001 0.000 0.204 464 R C 1.312 177.697 176.300 0.140 0.000 0.954 464 R CA 0.509 56.635 56.100 0.043 0.000 1.066 464 R CB 0.087 30.348 30.300 -0.066 0.000 0.991 464 R HN 0.290 nan 8.270 nan 0.000 0.486 465 S N -0.091 115.716 115.700 0.178 0.000 2.527 465 S HA 0.160 4.631 4.470 0.001 0.000 0.222 465 S C 0.910 175.552 174.600 0.070 0.000 0.985 465 S CA 0.570 58.876 58.200 0.177 0.000 0.921 465 S CB 0.617 63.877 63.200 0.101 0.000 0.772 465 S HN 0.680 nan 8.310 nan 0.000 0.529 466 G N 1.112 109.950 108.800 0.063 0.000 2.342 466 G HA2 0.129 4.089 3.960 0.001 0.000 0.220 466 G HA3 0.129 4.089 3.960 0.001 0.000 0.220 466 G C -1.065 173.877 174.900 0.069 0.000 1.243 466 G CA -0.488 44.580 45.100 -0.053 0.000 1.083 466 G HN 0.636 nan 8.290 nan 0.000 0.500 467 F N -2.245 117.728 119.950 0.037 0.000 2.741 467 F HA 0.810 5.338 4.527 0.001 0.000 0.313 467 F C 0.495 176.312 175.800 0.028 0.000 1.153 467 F CA -0.183 57.826 58.000 0.016 0.000 0.931 467 F CB 1.181 40.189 39.000 0.013 0.000 1.335 467 F HN 2.502 nan 8.300 nan 0.000 0.460 468 G N 1.403 110.364 108.800 0.269 0.000 2.712 468 G HA2 0.271 4.232 3.960 0.001 0.000 0.686 468 G HA3 0.271 4.232 3.960 0.001 0.000 0.686 468 G C -1.788 173.165 174.900 0.088 0.000 1.321 468 G CA -1.195 44.003 45.100 0.162 0.000 0.813 468 G HN 0.804 nan 8.290 nan 0.000 0.599 469 R N 0.796 121.357 120.500 0.102 0.000 2.621 469 R HA 0.535 4.875 4.340 0.001 0.000 0.292 469 R C 0.067 176.457 176.300 0.150 0.000 0.969 469 R CA -0.686 55.468 56.100 0.089 0.000 0.887 469 R CB 1.911 32.226 30.300 0.024 0.000 1.180 469 R HN 0.782 nan 8.270 nan 0.000 0.450 470 E N 2.276 122.567 120.200 0.153 0.000 2.281 470 E HA 0.575 4.925 4.350 0.001 0.000 0.257 470 E C -0.023 176.615 176.600 0.063 0.000 0.971 470 E CA -1.031 55.451 56.400 0.136 0.000 0.839 470 E CB 1.502 31.291 29.700 0.149 0.000 1.238 470 E HN 0.304 nan 8.360 nan 0.000 0.412 471 L N -0.811 120.417 121.223 0.008 0.000 0.587 471 L HA -0.311 4.029 4.340 0.001 0.000 0.356 471 L C 0.818 177.837 176.870 0.248 0.000 0.981 471 L CA 0.834 55.666 54.840 -0.013 0.000 1.223 471 L CB -1.632 40.202 42.059 -0.375 0.000 0.020 471 L HN 1.043 nan 8.230 nan 0.000 0.091 472 G N 0.197 109.098 108.800 0.169 0.000 2.598 472 G HA2 -0.315 3.645 3.960 0.001 0.000 0.269 472 G HA3 -0.315 3.645 3.960 0.001 0.000 0.269 472 G C 0.364 175.558 174.900 0.489 0.000 1.289 472 G CA 0.847 46.164 45.100 0.362 0.000 0.926 472 G HN 0.975 nan 8.290 nan 0.000 0.567 473 E N -0.470 119.921 120.200 0.319 0.000 2.274 473 E HA 0.004 4.355 4.350 0.001 0.000 0.194 473 E C 2.185 178.800 176.600 0.025 0.000 0.996 473 E CA 1.125 57.563 56.400 0.063 0.000 0.840 473 E CB -0.074 29.487 29.700 -0.232 0.000 0.772 473 E HN 0.531 nan 8.360 nan 0.000 0.491 474 W N 0.035 121.411 121.300 0.126 0.000 2.342 474 W HA -0.088 4.572 4.660 0.001 0.000 0.297 474 W C 2.165 178.747 176.519 0.104 0.000 1.213 474 W CA 1.118 58.516 57.345 0.089 0.000 1.251 474 W CB -0.768 28.727 29.460 0.058 0.000 1.136 474 W HN 0.247 nan 8.180 nan 0.000 0.526 475 G N 0.754 109.792 108.800 0.397 0.000 2.446 475 G HA2 -0.258 3.703 3.960 0.001 0.000 0.217 475 G HA3 -0.258 3.703 3.960 0.001 0.000 0.217 475 G C 1.598 176.652 174.900 0.256 0.000 1.168 475 G CA 0.747 46.027 45.100 0.299 0.000 0.771 475 G HN 0.133 nan 8.290 nan 0.000 0.551 476 L N 0.033 121.432 121.223 0.293 0.000 2.017 476 L HA -0.057 4.283 4.340 0.001 0.000 0.208 476 L C 2.931 179.894 176.870 0.154 0.000 1.073 476 L CA 1.487 56.459 54.840 0.220 0.000 0.745 476 L CB -0.309 41.876 42.059 0.210 0.000 0.894 476 L HN 0.204 nan 8.230 nan 0.000 0.432 477 E N -0.102 120.148 120.200 0.084 0.000 2.209 477 E HA -0.262 4.088 4.350 0.001 0.000 0.196 477 E C 1.753 178.353 176.600 -0.000 0.000 0.993 477 E CA 1.006 57.420 56.400 0.024 0.000 0.819 477 E CB -0.437 29.246 29.700 -0.029 0.000 0.745 477 E HN 0.459 nan 8.360 nan 0.000 0.477 478 N N -0.187 118.485 118.700 -0.046 0.000 2.348 478 N HA -0.179 4.561 4.740 0.001 0.000 0.185 478 N C 0.523 175.741 175.510 -0.487 0.000 1.019 478 N CA 0.982 53.860 53.050 -0.286 0.000 0.880 478 N CB -0.073 38.146 38.487 -0.446 0.000 0.965 478 N HN 0.211 nan 8.380 nan 0.000 0.437 479 Y N -0.994 119.334 120.300 0.046 0.000 2.660 479 Y HA 0.417 4.968 4.550 0.001 0.000 0.254 479 Y C -0.356 175.565 175.900 0.035 0.000 1.176 479 Y CA -0.466 57.658 58.100 0.040 0.000 1.195 479 Y CB 0.558 39.035 38.460 0.028 0.000 1.190 479 Y HN -0.122 nan 8.280 nan 0.000 0.535 480 L N 0.234 121.520 121.223 0.104 0.000 2.354 480 L HA 0.623 4.963 4.340 0.001 0.000 0.269 480 L C -0.138 176.757 176.870 0.042 0.000 1.005 480 L CA -1.009 53.874 54.840 0.072 0.000 0.819 480 L CB 2.225 44.315 42.059 0.051 0.000 1.311 480 L HN -0.023 nan 8.230 nan 0.000 0.423 481 S N 1.167 116.891 115.700 0.039 0.000 2.500 481 S HA 0.672 5.142 4.470 0.001 0.000 0.301 481 S C -0.736 173.875 174.600 0.020 0.000 1.092 481 S CA -0.715 57.501 58.200 0.026 0.000 1.030 481 S CB 1.884 65.101 63.200 0.030 0.000 1.031 481 S HN 0.238 nan 8.310 nan 0.000 0.483 482 V N 3.979 123.900 119.914 0.011 0.000 2.432 482 V HA 0.397 4.518 4.120 0.001 0.000 0.271 482 V C 0.401 176.498 176.094 0.005 0.000 1.046 482 V CA -0.338 61.967 62.300 0.008 0.000 0.945 482 V CB 0.816 32.639 31.823 0.000 0.000 0.992 482 V HN 0.931 nan 8.190 nan 0.000 0.471 483 K N 4.979 125.385 120.400 0.010 0.000 2.274 483 K HA 0.402 4.722 4.320 0.001 0.000 0.262 483 K C -0.400 176.191 176.600 -0.015 0.000 0.961 483 K CA -0.582 55.705 56.287 -0.000 0.000 0.833 483 K CB 1.338 33.845 32.500 0.011 0.000 1.102 483 K HN 0.753 nan 8.250 nan 0.000 0.436 484 Q N 4.006 123.780 119.800 -0.043 0.000 2.296 484 Q HA 0.254 4.595 4.340 0.001 0.000 0.257 484 Q C -1.358 174.558 176.000 -0.140 0.000 0.942 484 Q CA -0.680 55.074 55.803 -0.081 0.000 0.939 484 Q CB 1.345 30.039 28.738 -0.073 0.000 1.198 484 Q HN 0.417 nan 8.270 nan 0.000 0.429 485 V N 4.239 123.989 119.914 -0.272 0.000 2.334 485 V HA 0.354 4.475 4.120 0.001 0.000 0.281 485 V C -0.394 175.435 176.094 -0.441 0.000 1.016 485 V CA -0.567 61.486 62.300 -0.411 0.000 0.832 485 V CB 1.494 32.917 31.823 -0.666 0.000 0.999 485 V HN 0.783 nan 8.190 nan 0.000 0.439 486 T N 6.012 120.434 114.554 -0.220 0.000 2.792 486 T HA 0.589 4.939 4.350 0.001 0.000 0.280 486 T C -0.203 174.497 174.700 0.001 0.000 0.990 486 T CA -0.687 61.356 62.100 -0.095 0.000 0.960 486 T CB 1.060 69.898 68.868 -0.050 0.000 0.939 486 T HN 0.825 nan 8.240 nan 0.000 0.439 487 R N 1.767 122.304 120.500 0.062 0.000 2.599 487 R HA 0.519 4.859 4.340 0.001 0.000 0.295 487 R C -1.386 174.987 176.300 0.122 0.000 0.963 487 R CA -1.052 55.100 56.100 0.087 0.000 0.883 487 R CB 1.170 31.492 30.300 0.037 0.000 1.171 487 R HN 0.520 nan 8.270 nan 0.000 0.450 488 Y N 2.813 123.041 120.300 -0.120 0.000 2.504 488 Y HA 0.162 4.712 4.550 0.001 0.000 0.351 488 Y C 0.219 175.965 175.900 -0.256 0.000 0.988 488 Y CA 0.073 57.926 58.100 -0.411 0.000 1.239 488 Y CB 1.107 39.320 38.460 -0.412 0.000 1.128 488 Y HN 0.803 nan 8.280 nan 0.000 0.525 489 T N 2.033 116.281 114.554 -0.509 0.000 3.067 489 T HA -0.010 4.341 4.350 0.001 0.000 0.257 489 T C 0.831 175.246 174.700 -0.476 0.000 1.105 489 T CA 0.533 62.419 62.100 -0.357 0.000 1.104 489 T CB 0.008 68.759 68.868 -0.194 0.000 0.925 489 T HN 0.522 nan 8.240 nan 0.000 0.498 490 S N 0.931 116.112 115.700 -0.865 0.000 2.603 490 S HA 0.098 4.568 4.470 0.001 0.000 0.268 490 S C 0.729 175.032 174.600 -0.495 0.000 1.317 490 S CA -0.426 57.379 58.200 -0.660 0.000 1.012 490 S CB 0.990 63.786 63.200 -0.673 0.000 0.926 490 S HN 0.177 nan 8.310 nan 0.000 0.539 491 D N 0.332 120.602 120.400 -0.215 0.000 2.366 491 D HA 0.150 4.791 4.640 0.001 0.000 0.205 491 D C -0.071 176.243 176.300 0.024 0.000 1.022 491 D CA 0.238 54.193 54.000 -0.075 0.000 0.868 491 D CB 0.171 40.943 40.800 -0.046 0.000 0.953 491 D HN 0.470 nan 8.370 nan 0.000 0.514 492 E N 1.686 121.911 120.200 0.040 0.000 2.413 492 E HA 0.115 4.466 4.350 0.001 0.000 0.263 492 E C -2.096 174.666 176.600 0.269 0.000 1.015 492 E CA -1.541 54.940 56.400 0.134 0.000 0.916 492 E CB 0.042 29.820 29.700 0.130 0.000 0.947 492 E HN 0.193 nan 8.360 nan 0.000 0.440 493 P HA -0.064 nan 4.420 nan 0.000 0.269 493 P C 0.791 178.286 177.300 0.325 0.000 1.215 493 P CA -0.171 63.080 63.100 0.251 0.000 0.780 493 P CB 0.537 32.337 31.700 0.168 0.000 0.898 494 W N 2.830 124.181 121.300 0.085 0.000 2.335 494 W HA -0.191 4.470 4.660 0.001 0.000 0.311 494 W C 1.057 177.648 176.519 0.120 0.000 1.213 494 W CA 1.506 58.878 57.345 0.046 0.000 1.274 494 W CB -0.361 29.099 29.460 -0.000 0.000 1.148 494 W HN 0.673 nan 8.180 nan 0.000 0.498 495 G N -0.522 108.337 108.800 0.098 0.000 2.143 495 G HA2 -0.368 3.593 3.960 0.001 0.000 0.249 495 G HA3 -0.368 3.593 3.960 0.001 0.000 0.249 495 G C 0.437 175.259 174.900 -0.129 0.000 0.981 495 G CA 0.255 45.334 45.100 -0.035 0.000 0.665 495 G HN 0.584 nan 8.290 nan 0.000 0.528 496 W N -0.114 120.962 121.300 -0.373 0.000 2.441 496 W HA 0.217 4.877 4.660 0.001 0.000 0.302 496 W C 0.557 176.889 176.519 -0.312 0.000 1.191 496 W CA 1.048 58.139 57.345 -0.423 0.000 1.327 496 W CB 0.172 29.347 29.460 -0.474 0.000 1.128 496 W HN 0.198 nan 8.180 nan 0.000 0.522 497 Y N 1.715 122.042 120.300 0.045 0.000 2.374 497 Y HA 0.174 4.725 4.550 0.001 0.000 0.322 497 Y C 0.594 176.455 175.900 -0.065 0.000 1.275 497 Y CA -0.186 57.882 58.100 -0.052 0.000 1.307 497 Y CB 0.270 38.789 38.460 0.098 0.000 1.282 497 Y HN -0.210 nan 8.280 nan 0.000 0.509 498 Q N 2.688 122.556 119.800 0.113 0.000 2.314 498 Q HA 0.293 4.633 4.340 0.001 0.000 0.257 498 Q C -2.255 173.784 176.000 0.066 0.000 0.975 498 Q CA -1.866 53.963 55.803 0.043 0.000 0.933 498 Q CB 0.535 29.273 28.738 0.000 0.000 1.195 498 Q HN 0.406 nan 8.270 nan 0.000 0.426 499 P HA 0.046 nan 4.420 nan 0.000 0.267 499 P C -1.715 175.602 177.300 0.029 0.000 1.200 499 P CA -0.708 62.422 63.100 0.050 0.000 0.772 499 P CB 0.135 31.862 31.700 0.046 0.000 0.855 500 P HA 0.069 nan 4.420 nan 0.000 0.255 500 P C -0.776 176.529 177.300 0.010 0.000 1.248 500 P CA 0.081 63.188 63.100 0.011 0.000 0.807 500 P CB 0.241 31.945 31.700 0.006 0.000 1.150 501 S N -1.146 114.561 115.700 0.013 0.000 3.377 501 S HA -0.082 4.388 4.470 0.001 0.000 0.846 501 S C -0.391 174.215 174.600 0.009 0.000 1.142 501 S CA 0.107 58.313 58.200 0.010 0.000 1.051 501 S CB -0.460 62.744 63.200 0.006 0.000 0.704 501 S HN 0.424 nan 8.310 nan 0.000 0.286 502 K N 0.000 120.406 120.400 0.009 0.000 2.780 502 K HA 0.000 4.320 4.320 0.001 0.000 0.191 502 K CA 0.000 56.293 56.287 0.009 0.000 0.838 502 K CB 0.000 32.504 32.500 0.006 0.000 1.064 502 K HN 0.000 nan 8.250 nan 0.000 0.543