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 3b99_1_A DATA FIRST_RESID 21 DATA SEQUENCE RRTRRRNEPP LDKGMIPWLG HALEFGKDAA KFLTRMKEKH GDIFTVRAAG DATA SEQUENCE LYITVLLDSN CYDAVLSDVA SLDQTSYAQV LMKRIFNMIL PSHNPESEKK DATA SEQUENCE RAEMHFQGAS LTQLSNSMQN NLRLLMTPSE MGLKTSEWKK DGLFNLCYSL DATA SEQUENCE LFKTGYLTVF GAENNNSAAL TQIYEEFRRF DKLLPKLART TVNKEEKQIA DATA SEQUENCE SAAREKLWKW LTPSGLDRKP REQSWLGSYV KQLQDEGIDA EMQRRAMLLQ DATA SEQUENCE LWVTQGNAGP AAFWVMGYLL THPEALRAVR EEIQXXXXXX XXXXXXNTPV DATA SEQUENCE FDSVLWETLR LTAAALITRD VTQDKKICLS NGQEYHLRRG DRLCVFPFIS DATA SEQUENCE PQMDPQIHQQ PEMFQFDRFL NAXXTEKKDF FKNGARVKYP SVPWGTEDNL DATA SEQUENCE CPGRHFAVHA IKELVFTILT RFDVELCDKN ATVPLVDPSR YGFGILQPAG DATA SEQUENCE DLEIRYRIR 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 21 R HA 0.000 nan 4.340 nan 0.000 0.208 21 R C 0.000 176.311 176.300 0.018 0.000 0.893 21 R CA 0.000 56.135 56.100 0.058 0.000 0.921 21 R CB 0.000 30.326 30.300 0.044 0.000 0.687 22 R N 2.038 122.538 120.500 0.000 0.000 2.438 22 R HA 0.363 4.704 4.340 0.002 0.000 0.287 22 R C -0.958 175.289 176.300 -0.090 0.000 1.077 22 R CA 0.426 56.445 56.100 -0.134 0.000 1.034 22 R CB 1.156 31.180 30.300 -0.460 0.000 0.993 22 R HN 0.408 nan 8.270 nan 0.000 0.459 23 T N 4.001 118.498 114.554 -0.096 0.000 2.893 23 T HA 0.335 4.687 4.350 0.002 0.000 0.291 23 T C -0.663 174.000 174.700 -0.061 0.000 1.028 23 T CA -0.763 61.306 62.100 -0.052 0.000 0.995 23 T CB 1.347 70.199 68.868 -0.027 0.000 1.051 23 T HN 0.533 nan 8.240 nan 0.000 0.470 24 R N 1.955 122.437 120.500 -0.030 0.000 2.449 24 R HA 0.270 4.612 4.340 0.002 0.000 0.296 24 R C 0.291 176.582 176.300 -0.015 0.000 1.047 24 R CA -0.024 56.067 56.100 -0.016 0.000 1.018 24 R CB 0.513 30.821 30.300 0.013 0.000 0.962 24 R HN 0.505 nan 8.270 nan 0.000 0.428 25 R N 1.724 122.213 120.500 -0.018 0.000 2.549 25 R HA 0.233 4.575 4.340 0.002 0.000 0.259 25 R C 0.149 176.442 176.300 -0.012 0.000 1.095 25 R CA -0.850 55.234 56.100 -0.027 0.000 1.148 25 R CB 0.538 30.806 30.300 -0.052 0.000 1.181 25 R HN 0.446 nan 8.270 nan 0.000 0.571 26 R N 1.767 122.247 120.500 -0.034 0.000 2.504 26 R HA -0.178 4.163 4.340 0.002 0.000 0.291 26 R C -0.359 175.950 176.300 0.015 0.000 0.974 26 R CA 0.630 56.717 56.100 -0.023 0.000 1.077 26 R CB 0.026 30.296 30.300 -0.051 0.000 0.926 26 R HN 0.648 nan 8.270 nan 0.000 0.407 27 N N 1.580 120.311 118.700 0.051 0.000 2.753 27 N HA -0.187 4.554 4.740 0.002 0.000 0.251 27 N C -1.030 174.603 175.510 0.204 0.000 1.097 27 N CA 1.363 54.468 53.050 0.091 0.000 0.786 27 N CB -0.553 38.031 38.487 0.163 0.000 1.137 27 N HN 0.701 nan 8.380 nan 0.000 0.566 28 E N 0.639 120.944 120.200 0.175 0.000 2.373 28 E HA 0.246 4.598 4.350 0.002 0.000 0.263 28 E C -2.140 174.616 176.600 0.260 0.000 1.073 28 E CA -1.422 55.098 56.400 0.201 0.000 0.894 28 E CB 0.506 30.267 29.700 0.102 0.000 1.008 28 E HN 0.074 nan 8.360 nan 0.000 0.420 29 P HA 0.033 nan 4.420 nan 0.000 0.270 29 P C -2.494 174.863 177.300 0.095 0.000 1.227 29 P CA -0.911 62.281 63.100 0.154 0.000 0.788 29 P CB -0.381 31.300 31.700 -0.033 0.000 0.926 30 P HA -0.031 nan 4.420 nan 0.000 0.264 30 P C -0.777 176.449 177.300 -0.123 0.000 1.179 30 P CA 0.583 63.657 63.100 -0.043 0.000 0.763 30 P CB 0.154 31.778 31.700 -0.126 0.000 0.806 31 L N 3.613 124.787 121.223 -0.083 0.000 2.349 31 L HA 0.540 4.881 4.340 0.002 0.000 0.278 31 L C -0.898 175.989 176.870 0.029 0.000 0.996 31 L CA -0.045 54.797 54.840 0.005 0.000 0.825 31 L CB 1.449 43.539 42.059 0.052 0.000 1.243 31 L HN 0.154 nan 8.230 nan 0.000 0.412 32 D N 3.837 124.294 120.400 0.095 0.000 2.440 32 D HA 0.259 4.900 4.640 0.002 0.000 0.252 32 D C 0.204 176.695 176.300 0.318 0.000 1.180 32 D CA -0.191 53.935 54.000 0.210 0.000 0.894 32 D CB 1.382 42.310 40.800 0.213 0.000 1.111 32 D HN 0.619 nan 8.370 nan 0.000 0.544 33 K N 1.402 121.935 120.400 0.221 0.000 2.314 33 K HA 0.253 4.575 4.320 0.002 0.000 0.198 33 K C 1.171 177.700 176.600 -0.119 0.000 1.045 33 K CA 0.439 56.794 56.287 0.115 0.000 0.988 33 K CB 0.206 32.780 32.500 0.123 0.000 0.783 33 K HN 0.645 nan 8.250 nan 0.000 0.484 34 G N 1.112 109.829 108.800 -0.137 0.000 2.855 34 G HA2 -0.267 3.694 3.960 0.002 0.000 0.352 34 G HA3 -0.267 3.694 3.960 0.002 0.000 0.352 34 G C 0.305 175.121 174.900 -0.141 0.000 1.415 34 G CA -0.318 44.553 45.100 -0.381 0.000 0.871 34 G HN -0.044 nan 8.290 nan 0.000 0.543 35 M N -0.256 119.281 119.600 -0.104 0.000 2.486 35 M HA 0.240 4.721 4.480 0.002 0.000 0.264 35 M C 1.577 177.862 176.300 -0.025 0.000 1.125 35 M CA 0.822 56.103 55.300 -0.032 0.000 1.144 35 M CB -0.304 32.294 32.600 -0.003 0.000 1.353 35 M HN 0.444 nan 8.290 nan 0.000 0.466 36 I N 2.511 123.052 120.570 -0.049 0.000 2.436 36 I HA 0.102 4.273 4.170 0.002 0.000 0.289 36 I C -2.001 174.127 176.117 0.019 0.000 1.083 36 I CA -1.745 59.550 61.300 -0.008 0.000 1.372 36 I CB 0.145 38.141 38.000 -0.007 0.000 1.408 36 I HN -0.130 nan 8.210 nan 0.000 0.516 37 P HA -0.135 nan 4.420 nan 0.000 0.264 37 P C 0.202 177.639 177.300 0.228 0.000 1.183 37 P CA 0.319 63.487 63.100 0.113 0.000 0.763 37 P CB 0.336 32.098 31.700 0.103 0.000 0.807 38 W N 3.015 124.302 121.300 -0.022 0.000 0.764 38 W HA -0.377 4.285 4.660 0.003 0.000 0.224 38 W C 1.407 177.882 176.519 -0.074 0.000 1.033 38 W CA 2.173 59.497 57.345 -0.034 0.000 0.992 38 W CB -2.010 27.439 29.460 -0.019 0.000 1.776 38 W HN 0.297 nan 8.180 nan 0.000 0.507 39 L N 1.736 123.060 121.223 0.168 0.000 2.131 39 L HA 0.226 4.567 4.340 0.002 0.000 0.210 39 L C 2.157 178.907 176.870 -0.201 0.000 1.092 39 L CA 3.720 58.542 54.840 -0.030 0.000 0.759 39 L CB -1.288 40.870 42.059 0.166 0.000 0.903 39 L HN 1.003 nan 8.230 nan 0.000 0.435 40 G N -0.774 107.919 108.800 -0.178 0.000 2.629 40 G HA2 -0.416 3.546 3.960 0.002 0.000 0.313 40 G HA3 -0.416 3.546 3.960 0.002 0.000 0.313 40 G C 0.780 175.505 174.900 -0.292 0.000 1.217 40 G CA 0.589 45.523 45.100 -0.277 0.000 0.994 40 G HN 0.522 nan 8.290 nan 0.000 0.549 41 H N 1.712 120.724 119.070 -0.097 0.000 2.505 41 H HA 0.464 5.021 4.556 0.002 0.000 0.289 41 H C 2.391 177.575 175.328 -0.240 0.000 1.052 41 H CA 1.070 57.008 56.048 -0.183 0.000 1.156 41 H CB -0.192 29.445 29.762 -0.208 0.000 1.507 41 H HN 0.664 nan 8.280 nan 0.000 0.548 42 A N 1.159 123.932 122.820 -0.078 0.000 1.873 42 A HA -0.180 4.141 4.320 0.002 0.000 0.218 42 A C 2.393 179.927 177.584 -0.083 0.000 1.193 42 A CA 1.168 53.148 52.037 -0.096 0.000 0.629 42 A CB -0.706 18.219 19.000 -0.126 0.000 0.826 42 A HN 0.284 nan 8.150 nan 0.000 0.447 43 L N -0.514 120.671 121.223 -0.063 0.000 1.963 43 L HA -0.278 4.063 4.340 0.002 0.000 0.220 43 L C 2.684 179.525 176.870 -0.048 0.000 1.076 43 L CA 2.579 57.395 54.840 -0.040 0.000 0.772 43 L CB -0.470 41.576 42.059 -0.022 0.000 0.892 43 L HN 0.647 nan 8.230 nan 0.000 0.435 44 E N -1.284 118.858 120.200 -0.095 0.000 2.077 44 E HA -0.268 4.083 4.350 0.002 0.000 0.193 44 E C 2.256 178.743 176.600 -0.188 0.000 0.989 44 E CA 1.119 57.444 56.400 -0.125 0.000 0.800 44 E CB -0.190 29.426 29.700 -0.140 0.000 0.746 44 E HN 0.367 nan 8.360 nan 0.000 0.452 45 F N 1.187 120.734 119.950 -0.671 0.000 2.091 45 F HA -0.097 4.431 4.527 0.002 0.000 0.299 45 F C 2.052 177.776 175.800 -0.128 0.000 1.103 45 F CA 1.825 59.526 58.000 -0.498 0.000 1.228 45 F CB -1.016 37.698 39.000 -0.476 0.000 0.984 45 F HN 0.074 nan 8.300 nan 0.000 0.477 46 G N -0.220 108.626 108.800 0.077 0.000 2.404 46 G HA2 -0.259 3.702 3.960 0.002 0.000 0.215 46 G HA3 -0.259 3.702 3.960 0.002 0.000 0.215 46 G C 1.851 176.816 174.900 0.108 0.000 1.174 46 G CA 0.765 45.891 45.100 0.044 0.000 0.780 46 G HN 0.329 nan 8.290 nan 0.000 0.537 47 K N -0.461 119.991 120.400 0.086 0.000 2.032 47 K HA -0.079 4.242 4.320 0.002 0.000 0.209 47 K C 0.230 176.929 176.600 0.165 0.000 1.048 47 K CA 1.362 57.707 56.287 0.097 0.000 0.927 47 K CB 0.101 32.644 32.500 0.072 0.000 0.712 47 K HN 0.259 nan 8.250 nan 0.000 0.441 48 D N -2.044 118.480 120.400 0.207 0.000 2.319 48 D HA 0.224 4.866 4.640 0.002 0.000 0.237 48 D C -0.221 176.249 176.300 0.284 0.000 1.353 48 D CA -0.160 54.008 54.000 0.279 0.000 0.992 48 D CB 1.233 42.171 40.800 0.230 0.000 1.368 48 D HN 0.044 nan 8.370 nan 0.000 0.564 49 A N 2.750 125.779 122.820 0.348 0.000 1.968 49 A HA 0.179 4.500 4.320 0.002 0.000 0.217 49 A C 2.048 179.785 177.584 0.256 0.000 1.169 49 A CA 1.647 53.911 52.037 0.378 0.000 0.638 49 A CB -0.174 19.057 19.000 0.385 0.000 0.812 49 A HN 0.562 nan 8.150 nan 0.000 0.446 50 A N 0.140 122.959 122.820 -0.003 0.000 1.873 50 A HA -0.122 4.199 4.320 0.002 0.000 0.215 50 A C 2.129 179.674 177.584 -0.064 0.000 1.186 50 A CA 1.868 53.818 52.037 -0.145 0.000 0.616 50 A CB -0.443 17.945 19.000 -1.020 0.000 0.823 50 A HN 0.534 nan 8.150 nan 0.000 0.442 51 K N -1.444 118.920 120.400 -0.060 0.000 2.026 51 K HA -0.172 4.149 4.320 0.002 0.000 0.208 51 K C 1.863 178.479 176.600 0.025 0.000 1.048 51 K CA 1.777 58.068 56.287 0.007 0.000 0.929 51 K CB -0.378 32.157 32.500 0.058 0.000 0.713 51 K HN 0.368 nan 8.250 nan 0.000 0.439 52 F N 1.699 121.610 119.950 -0.066 0.000 2.102 52 F HA -0.119 4.409 4.527 0.002 0.000 0.298 52 F C 1.663 177.335 175.800 -0.214 0.000 1.105 52 F CA 1.363 59.279 58.000 -0.140 0.000 1.239 52 F CB -0.156 38.758 39.000 -0.142 0.000 0.991 52 F HN -0.021 nan 8.300 nan 0.000 0.474 53 L N -0.702 120.337 121.223 -0.308 0.000 2.156 53 L HA -0.154 4.187 4.340 0.002 0.000 0.208 53 L C 2.276 179.038 176.870 -0.180 0.000 1.095 53 L CA 1.418 56.086 54.840 -0.288 0.000 0.770 53 L CB -1.071 41.024 42.059 0.060 0.000 0.914 53 L HN 0.128 nan 8.230 nan 0.000 0.439 54 T N -0.808 113.672 114.554 -0.123 0.000 2.788 54 T HA -0.193 4.158 4.350 0.002 0.000 0.268 54 T C 2.064 176.642 174.700 -0.204 0.000 1.044 54 T CA 1.087 63.118 62.100 -0.115 0.000 1.139 54 T CB -0.136 68.684 68.868 -0.079 0.000 0.867 54 T HN 0.234 nan 8.240 nan 0.000 0.454 55 R N 0.205 120.535 120.500 -0.283 0.000 2.081 55 R HA -0.012 4.330 4.340 0.002 0.000 0.235 55 R C 2.352 178.371 176.300 -0.467 0.000 1.131 55 R CA 1.176 57.085 56.100 -0.318 0.000 0.960 55 R CB -0.145 29.972 30.300 -0.304 0.000 0.856 55 R HN 0.290 nan 8.270 nan 0.000 0.436 56 M N 0.421 119.585 119.600 -0.726 0.000 2.200 56 M HA -0.119 4.363 4.480 0.002 0.000 0.265 56 M C 2.135 177.932 176.300 -0.839 0.000 1.066 56 M CA 1.333 56.025 55.300 -1.014 0.000 1.127 56 M CB -0.710 30.835 32.600 -1.757 0.000 1.379 56 M HN 0.076 nan 8.290 nan 0.000 0.420 57 K N 0.775 120.908 120.400 -0.445 0.000 2.032 57 K HA -0.251 4.070 4.320 0.002 0.000 0.209 57 K C 1.875 178.405 176.600 -0.117 0.000 1.048 57 K CA 2.033 58.289 56.287 -0.052 0.000 0.927 57 K CB -0.055 32.483 32.500 0.064 0.000 0.712 57 K HN 0.146 nan 8.250 nan 0.000 0.441 58 E N 0.779 120.870 120.200 -0.182 0.000 2.110 58 E HA -0.185 4.166 4.350 0.002 0.000 0.193 58 E C 1.862 178.338 176.600 -0.207 0.000 0.988 58 E CA 1.495 57.799 56.400 -0.160 0.000 0.804 58 E CB 0.076 29.682 29.700 -0.157 0.000 0.745 58 E HN 0.272 nan 8.360 nan 0.000 0.458 59 K N -1.438 118.756 120.400 -0.344 0.000 2.116 59 K HA -0.090 4.231 4.320 0.002 0.000 0.203 59 K C 1.306 177.597 176.600 -0.515 0.000 1.052 59 K CA 1.270 57.259 56.287 -0.498 0.000 0.952 59 K CB 0.125 32.180 32.500 -0.743 0.000 0.729 59 K HN 0.299 nan 8.250 nan 0.000 0.446 60 H N -2.032 116.938 119.070 -0.168 0.000 3.400 60 H HA 0.231 4.789 4.556 0.002 0.000 0.251 60 H C 0.920 176.271 175.328 0.037 0.000 1.040 60 H CA 0.757 56.767 56.048 -0.064 0.000 1.175 60 H CB 1.501 31.211 29.762 -0.087 0.000 1.487 60 H HN 0.372 nan 8.280 nan 0.000 0.505 61 G N 1.344 110.231 108.800 0.144 0.000 2.472 61 G HA2 -0.243 3.719 3.960 0.002 0.000 0.205 61 G HA3 -0.243 3.719 3.960 0.002 0.000 0.205 61 G C -0.234 174.779 174.900 0.190 0.000 1.270 61 G CA 0.055 45.235 45.100 0.133 0.000 0.974 61 G HN 0.180 nan 8.290 nan 0.000 0.542 62 D N -0.156 120.292 120.400 0.079 0.000 2.347 62 D HA 0.227 4.868 4.640 0.002 0.000 0.215 62 D C 0.961 177.198 176.300 -0.104 0.000 0.976 62 D CA 1.365 55.375 54.000 0.017 0.000 0.884 62 D CB 0.382 41.172 40.800 -0.015 0.000 0.915 62 D HN 0.539 nan 8.370 nan 0.000 0.526 63 I N 0.107 120.585 120.570 -0.152 0.000 2.656 63 I HA 0.391 4.563 4.170 0.002 0.000 0.292 63 I C -1.726 174.265 176.117 -0.210 0.000 1.144 63 I CA -0.934 60.137 61.300 -0.381 0.000 1.038 63 I CB 1.227 38.872 38.000 -0.592 0.000 1.244 63 I HN -0.199 nan 8.210 nan 0.000 0.420 64 F N 2.494 122.341 119.950 -0.172 0.000 2.741 64 F HA 0.680 5.208 4.527 0.002 0.000 0.311 64 F C -1.497 174.228 175.800 -0.125 0.000 1.149 64 F CA -0.737 57.151 58.000 -0.187 0.000 0.930 64 F CB 1.479 40.342 39.000 -0.228 0.000 1.312 64 F HN 0.170 nan 8.300 nan 0.000 0.450 65 T N 1.892 116.530 114.554 0.141 0.000 2.812 65 T HA 0.633 4.984 4.350 0.002 0.000 0.282 65 T C -1.366 173.478 174.700 0.240 0.000 0.990 65 T CA -0.696 61.493 62.100 0.149 0.000 0.960 65 T CB 1.777 70.718 68.868 0.122 0.000 0.948 65 T HN 0.701 nan 8.240 nan 0.000 0.438 66 V N 3.272 123.351 119.914 0.276 0.000 2.628 66 V HA 0.596 4.717 4.120 0.002 0.000 0.306 66 V C -0.140 176.061 176.094 0.179 0.000 1.045 66 V CA -1.102 61.384 62.300 0.310 0.000 0.905 66 V CB 1.929 33.980 31.823 0.380 0.000 0.997 66 V HN 0.762 nan 8.190 nan 0.000 0.436 67 R N 4.136 124.693 120.500 0.095 0.000 2.297 67 R HA 0.760 5.102 4.340 0.002 0.000 0.308 67 R C -0.783 175.400 176.300 -0.195 0.000 1.029 67 R CA -0.020 55.873 56.100 -0.344 0.000 0.929 67 R CB 1.323 31.374 30.300 -0.415 0.000 1.046 67 R HN 0.818 nan 8.270 nan 0.000 0.461 68 A N 3.121 125.733 122.820 -0.347 0.000 2.466 68 A HA 0.515 4.836 4.320 0.002 0.000 0.284 68 A C -0.158 177.123 177.584 -0.505 0.000 1.049 68 A CA 0.014 51.876 52.037 -0.292 0.000 0.760 68 A CB 1.225 20.158 19.000 -0.112 0.000 1.274 68 A HN 1.261 nan 8.150 nan 0.000 0.412 69 A N 1.471 123.887 122.820 -0.674 0.000 2.466 69 A HA 0.297 4.619 4.320 0.002 0.000 0.295 69 A C 2.092 178.729 177.584 -1.579 0.000 1.465 69 A CA 1.959 53.305 52.037 -1.152 0.000 0.744 69 A CB -1.659 17.045 19.000 -0.493 0.000 1.098 69 A HN 3.157 nan 8.150 nan 0.000 0.402 70 G N -2.522 105.126 108.800 -1.920 0.000 2.189 70 G HA2 -0.253 3.708 3.960 0.002 0.000 0.267 70 G HA3 -0.253 3.708 3.960 0.002 0.000 0.267 70 G C 0.198 174.790 174.900 -0.513 0.000 0.975 70 G CA 0.832 45.181 45.100 -1.253 0.000 0.644 70 G HN 1.510 nan 8.290 nan 0.000 0.537 71 L N -0.798 120.104 121.223 -0.535 0.000 2.330 71 L HA 0.707 5.048 4.340 0.002 0.000 0.271 71 L C -0.270 176.319 176.870 -0.469 0.000 1.013 71 L CA -1.428 53.230 54.840 -0.302 0.000 0.816 71 L CB 1.459 43.392 42.059 -0.210 0.000 1.287 71 L HN 0.040 nan 8.230 nan 0.000 0.435 72 Y N 2.004 122.266 120.300 -0.063 0.000 2.328 72 Y HA 0.513 5.066 4.550 0.004 0.000 0.337 72 Y C -0.373 175.522 175.900 -0.008 0.000 0.966 72 Y CA -0.459 57.631 58.100 -0.016 0.000 1.136 72 Y CB 1.489 39.946 38.460 -0.004 0.000 1.170 72 Y HN 0.271 nan 8.280 nan 0.000 0.470 73 I N 2.930 123.571 120.570 0.120 0.000 2.410 73 I HA 0.303 4.474 4.170 0.002 0.000 0.286 73 I C -0.191 175.976 176.117 0.082 0.000 1.009 73 I CA -0.271 61.079 61.300 0.083 0.000 1.111 73 I CB 1.824 39.898 38.000 0.123 0.000 1.262 73 I HN 0.509 nan 8.210 nan 0.000 0.443 74 T N 5.721 120.282 114.554 0.011 0.000 2.806 74 T HA 0.551 4.903 4.350 0.002 0.000 0.290 74 T C -0.188 174.410 174.700 -0.171 0.000 0.966 74 T CA -0.381 61.673 62.100 -0.077 0.000 1.060 74 T CB 1.074 69.905 68.868 -0.060 0.000 0.927 74 T HN 0.202 nan 8.240 nan 0.000 0.485 75 V N 5.058 124.734 119.914 -0.397 0.000 2.448 75 V HA 0.460 4.581 4.120 0.002 0.000 0.295 75 V C -0.230 175.556 176.094 -0.513 0.000 1.025 75 V CA -0.879 61.139 62.300 -0.470 0.000 0.859 75 V CB 1.735 33.162 31.823 -0.659 0.000 0.988 75 V HN 0.709 nan 8.190 nan 0.000 0.431 76 L N 5.722 126.803 121.223 -0.238 0.000 2.296 76 L HA 0.551 4.893 4.340 0.002 0.000 0.286 76 L C -0.102 176.823 176.870 0.091 0.000 1.023 76 L CA -0.385 54.397 54.840 -0.097 0.000 0.812 76 L CB 1.532 43.604 42.059 0.021 0.000 1.223 76 L HN 0.680 nan 8.230 nan 0.000 0.421 77 L N 3.142 124.418 121.223 0.088 0.000 3.184 77 L HA 0.251 4.592 4.340 0.002 0.000 0.283 77 L C -0.232 176.682 176.870 0.074 0.000 1.218 77 L CA -0.105 54.846 54.840 0.185 0.000 1.028 77 L CB 0.599 42.720 42.059 0.105 0.000 1.400 77 L HN 0.524 nan 8.230 nan 0.000 0.591 78 D N 0.554 120.951 120.400 -0.004 0.000 2.441 78 D HA 0.069 4.710 4.640 0.002 0.000 0.221 78 D C 1.318 177.335 176.300 -0.471 0.000 1.156 78 D CA 0.045 53.955 54.000 -0.150 0.000 0.896 78 D CB 1.347 42.099 40.800 -0.080 0.000 1.028 78 D HN 0.146 nan 8.370 nan 0.000 0.509 79 S N 3.193 118.475 115.700 -0.697 0.000 2.440 79 S HA -0.218 4.253 4.470 0.002 0.000 0.238 79 S C 1.352 175.535 174.600 -0.695 0.000 1.010 79 S CA 0.658 58.103 58.200 -1.258 0.000 0.972 79 S CB -0.380 62.462 63.200 -0.596 0.000 0.774 79 S HN 0.674 nan 8.310 nan 0.000 0.501 80 N N 0.446 118.942 118.700 -0.340 0.000 2.467 80 N HA 0.005 4.747 4.740 0.002 0.000 0.184 80 N C 0.989 176.455 175.510 -0.073 0.000 1.106 80 N CA 0.764 53.726 53.050 -0.146 0.000 0.892 80 N CB -0.506 37.925 38.487 -0.093 0.000 0.969 80 N HN 0.466 nan 8.380 nan 0.000 0.454 81 C N -0.131 119.109 119.300 -0.100 0.000 2.735 81 C HA 0.208 4.669 4.460 0.002 0.000 0.271 81 C C 1.958 177.039 174.990 0.152 0.000 1.281 81 C CA -0.620 58.415 59.018 0.028 0.000 1.719 81 C CB -1.178 26.585 27.740 0.038 0.000 2.024 81 C HN 0.263 nan 8.230 nan 0.000 0.566 82 Y N 2.556 122.885 120.300 0.049 0.000 2.040 82 Y HA -0.220 4.331 4.550 0.002 0.000 0.275 82 Y C 2.231 178.161 175.900 0.050 0.000 1.171 82 Y CA 1.337 59.465 58.100 0.047 0.000 1.123 82 Y CB -1.301 37.191 38.460 0.054 0.000 0.963 82 Y HN 0.379 nan 8.280 nan 0.000 0.493 83 D N -0.309 120.237 120.400 0.243 0.000 2.106 83 D HA -0.209 4.432 4.640 0.002 0.000 0.191 83 D C 2.290 178.662 176.300 0.119 0.000 0.997 83 D CA 1.780 55.875 54.000 0.159 0.000 0.834 83 D CB -0.627 40.275 40.800 0.170 0.000 0.956 83 D HN 0.333 nan 8.370 nan 0.000 0.448 84 A N 0.918 123.804 122.820 0.110 0.000 1.902 84 A HA -0.116 4.205 4.320 0.002 0.000 0.217 84 A C 2.640 180.268 177.584 0.073 0.000 1.181 84 A CA 1.249 53.335 52.037 0.081 0.000 0.623 84 A CB -0.776 18.265 19.000 0.068 0.000 0.818 84 A HN 0.142 nan 8.150 nan 0.000 0.443 85 V N 0.011 119.976 119.914 0.085 0.000 2.261 85 V HA -0.242 3.879 4.120 0.002 0.000 0.246 85 V C 2.522 178.652 176.094 0.060 0.000 1.047 85 V CA 2.021 64.364 62.300 0.070 0.000 1.015 85 V CB -0.709 31.162 31.823 0.081 0.000 0.642 85 V HN 0.568 nan 8.190 nan 0.000 0.446 86 L N 0.818 122.082 121.223 0.069 0.000 2.291 86 L HA -0.095 4.246 4.340 0.002 0.000 0.214 86 L C 2.615 179.515 176.870 0.050 0.000 1.120 86 L CA 1.368 56.238 54.840 0.050 0.000 0.799 86 L CB -0.589 41.495 42.059 0.042 0.000 0.925 86 L HN 0.551 nan 8.230 nan 0.000 0.446 87 S N -1.467 114.267 115.700 0.058 0.000 2.469 87 S HA -0.189 4.282 4.470 0.002 0.000 0.238 87 S C 1.081 175.708 174.600 0.046 0.000 0.998 87 S CA 0.703 58.934 58.200 0.053 0.000 0.957 87 S CB -0.408 62.826 63.200 0.057 0.000 0.764 87 S HN 0.336 nan 8.310 nan 0.000 0.514 88 D N 2.380 122.806 120.400 0.044 0.000 2.551 88 D HA 0.171 4.813 4.640 0.002 0.000 0.223 88 D C 1.306 177.628 176.300 0.037 0.000 1.144 88 D CA 0.061 54.084 54.000 0.039 0.000 1.025 88 D CB 0.616 41.439 40.800 0.037 0.000 1.085 88 D HN 0.257 nan 8.370 nan 0.000 0.506 89 V N 1.057 120.994 119.914 0.038 0.000 3.141 89 V HA 0.010 4.131 4.120 0.002 0.000 0.265 89 V C 1.996 178.112 176.094 0.036 0.000 1.126 89 V CA 1.164 63.487 62.300 0.038 0.000 1.141 89 V CB -0.606 31.241 31.823 0.040 0.000 0.743 89 V HN 0.353 nan 8.190 nan 0.000 0.492 90 A N 0.694 123.534 122.820 0.034 0.000 1.969 90 A HA -0.039 4.283 4.320 0.002 0.000 0.218 90 A C 2.350 179.953 177.584 0.032 0.000 1.169 90 A CA 1.992 54.048 52.037 0.032 0.000 0.635 90 A CB -0.493 18.525 19.000 0.030 0.000 0.810 90 A HN 0.598 nan 8.150 nan 0.000 0.445 91 S N -1.264 114.456 115.700 0.033 0.000 2.511 91 S HA 0.386 4.858 4.470 0.002 0.000 0.214 91 S C 0.200 174.819 174.600 0.032 0.000 0.997 91 S CA -0.096 58.123 58.200 0.033 0.000 0.908 91 S CB 0.113 63.333 63.200 0.033 0.000 0.803 91 S HN 0.357 nan 8.310 nan 0.000 0.504 92 L N 2.403 123.646 121.223 0.033 0.000 2.372 92 L HA 0.501 4.842 4.340 0.002 0.000 0.273 92 L C -1.374 175.520 176.870 0.040 0.000 0.989 92 L CA -0.601 54.258 54.840 0.032 0.000 0.841 92 L CB 1.730 43.807 42.059 0.030 0.000 1.225 92 L HN -0.035 nan 8.230 nan 0.000 0.414 93 D N 1.612 122.038 120.400 0.044 0.000 2.233 93 D HA 0.146 4.788 4.640 0.002 0.000 0.240 93 D C 0.526 176.872 176.300 0.077 0.000 1.074 93 D CA -0.186 53.849 54.000 0.058 0.000 0.838 93 D CB 1.828 42.663 40.800 0.058 0.000 1.124 93 D HN 0.477 nan 8.370 nan 0.000 0.475 94 Q N 1.934 121.786 119.800 0.088 0.000 2.250 94 Q HA -0.060 4.281 4.340 0.002 0.000 0.200 94 Q C 1.090 177.173 176.000 0.139 0.000 0.941 94 Q CA 0.835 56.708 55.803 0.118 0.000 0.872 94 Q CB 0.387 29.188 28.738 0.106 0.000 0.965 94 Q HN 0.597 nan 8.270 nan 0.000 0.480 95 T N 0.382 115.005 114.554 0.115 0.000 2.708 95 T HA -0.153 4.198 4.350 0.002 0.000 0.266 95 T C 1.964 176.737 174.700 0.123 0.000 1.037 95 T CA 1.612 63.780 62.100 0.113 0.000 1.146 95 T CB -0.287 68.636 68.868 0.092 0.000 0.865 95 T HN 0.460 nan 8.240 nan 0.000 0.435 96 S N 0.726 116.502 115.700 0.126 0.000 2.402 96 S HA -0.125 4.347 4.470 0.002 0.000 0.229 96 S C 1.959 176.670 174.600 0.185 0.000 1.021 96 S CA 0.680 58.958 58.200 0.131 0.000 0.974 96 S CB -0.724 62.542 63.200 0.111 0.000 0.800 96 S HN 0.503 nan 8.310 nan 0.000 0.484 97 Y N 2.764 123.094 120.300 0.049 0.000 2.184 97 Y HA 0.221 4.772 4.550 0.003 0.000 0.290 97 Y C 2.721 178.661 175.900 0.067 0.000 1.129 97 Y CA 0.509 58.634 58.100 0.043 0.000 1.144 97 Y CB -1.234 37.239 38.460 0.023 0.000 0.995 97 Y HN 0.320 nan 8.280 nan 0.000 0.513 98 A N 0.374 123.212 122.820 0.030 0.000 1.958 98 A HA -0.308 4.013 4.320 0.002 0.000 0.221 98 A C 2.176 179.773 177.584 0.022 0.000 1.178 98 A CA 2.157 54.192 52.037 -0.005 0.000 0.642 98 A CB -0.821 18.234 19.000 0.093 0.000 0.816 98 A HN 0.677 nan 8.150 nan 0.000 0.453 99 Q N -0.731 119.106 119.800 0.061 0.000 2.002 99 Q HA -0.154 4.187 4.340 0.002 0.000 0.204 99 Q C 2.252 178.280 176.000 0.048 0.000 0.988 99 Q CA 1.904 57.749 55.803 0.070 0.000 0.843 99 Q CB -0.452 28.335 28.738 0.082 0.000 0.908 99 Q HN 0.509 nan 8.270 nan 0.000 0.420 100 V N 1.392 121.329 119.914 0.038 0.000 2.287 100 V HA -0.290 3.831 4.120 0.002 0.000 0.248 100 V C 2.305 178.381 176.094 -0.029 0.000 1.053 100 V CA 1.697 64.016 62.300 0.030 0.000 1.027 100 V CB -0.597 31.283 31.823 0.094 0.000 0.646 100 V HN 0.348 nan 8.190 nan 0.000 0.447 101 L N -1.197 119.934 121.223 -0.152 0.000 2.046 101 L HA -0.239 4.102 4.340 0.002 0.000 0.208 101 L C 2.528 179.411 176.870 0.022 0.000 1.077 101 L CA 1.914 56.662 54.840 -0.154 0.000 0.747 101 L CB -0.503 41.370 42.059 -0.310 0.000 0.896 101 L HN 0.359 nan 8.230 nan 0.000 0.432 102 M N -0.018 119.644 119.600 0.104 0.000 2.149 102 M HA -0.250 4.231 4.480 0.002 0.000 0.261 102 M C 2.194 178.626 176.300 0.219 0.000 1.064 102 M CA 1.859 57.310 55.300 0.252 0.000 1.102 102 M CB -0.027 32.676 32.600 0.173 0.000 1.369 102 M HN 0.154 nan 8.290 nan 0.000 0.408 103 K N -0.528 119.941 120.400 0.115 0.000 2.031 103 K HA -0.086 4.236 4.320 0.002 0.000 0.205 103 K C 2.030 178.674 176.600 0.073 0.000 1.049 103 K CA 1.128 57.472 56.287 0.094 0.000 0.939 103 K CB -0.198 32.341 32.500 0.064 0.000 0.717 103 K HN 0.380 nan 8.250 nan 0.000 0.438 104 R N 0.699 121.216 120.500 0.029 0.000 2.073 104 R HA -0.073 4.268 4.340 0.002 0.000 0.234 104 R C 2.363 178.625 176.300 -0.062 0.000 1.134 104 R CA 1.433 57.523 56.100 -0.016 0.000 0.952 104 R CB -0.417 29.861 30.300 -0.038 0.000 0.850 104 R HN 0.212 nan 8.270 nan 0.000 0.433 105 I N -0.832 119.662 120.570 -0.125 0.000 2.339 105 I HA -0.138 4.034 4.170 0.002 0.000 0.245 105 I C 1.258 177.209 176.117 -0.277 0.000 1.096 105 I CA 1.150 62.238 61.300 -0.352 0.000 1.408 105 I CB 0.011 37.576 38.000 -0.725 0.000 1.092 105 I HN -0.005 nan 8.210 nan 0.000 0.423 106 F N 0.134 120.180 119.950 0.161 0.000 2.695 106 F HA 0.236 4.764 4.527 0.002 0.000 0.303 106 F C 0.734 176.699 175.800 0.275 0.000 1.091 106 F CA -0.349 57.790 58.000 0.232 0.000 1.300 106 F CB -0.440 38.682 39.000 0.204 0.000 1.071 106 F HN 0.020 nan 8.300 nan 0.000 0.578 107 N N 1.697 120.586 118.700 0.314 0.000 2.714 107 N HA -0.234 4.508 4.740 0.002 0.000 0.253 107 N C -0.765 174.846 175.510 0.168 0.000 1.024 107 N CA 0.577 53.779 53.050 0.253 0.000 0.726 107 N CB -0.848 37.850 38.487 0.352 0.000 0.908 107 N HN 0.304 nan 8.380 nan 0.000 0.542 108 M N 0.489 120.174 119.600 0.143 0.000 2.572 108 M HA 0.570 5.051 4.480 0.002 0.000 0.299 108 M C -0.564 175.759 176.300 0.038 0.000 1.205 108 M CA -0.753 54.585 55.300 0.063 0.000 0.876 108 M CB 2.019 34.683 32.600 0.107 0.000 1.728 108 M HN 0.087 nan 8.290 nan 0.000 0.458 109 I N 2.267 122.831 120.570 -0.010 0.000 2.752 109 I HA 0.382 4.553 4.170 0.002 0.000 0.295 109 I C -1.306 174.790 176.117 -0.035 0.000 1.219 109 I CA -0.366 60.931 61.300 -0.005 0.000 1.030 109 I CB 2.601 40.598 38.000 -0.005 0.000 1.259 109 I HN 0.578 nan 8.210 nan 0.000 0.423 110 L N 7.563 128.775 121.223 -0.019 0.000 2.529 110 L HA 0.372 4.713 4.340 0.002 0.000 0.246 110 L C -2.349 174.532 176.870 0.018 0.000 1.394 110 L CA -1.472 53.343 54.840 -0.043 0.000 0.906 110 L CB 0.784 42.770 42.059 -0.123 0.000 1.170 110 L HN 0.255 nan 8.230 nan 0.000 0.501 111 P HA 0.025 nan 4.420 nan 0.000 0.265 111 P C 0.758 178.081 177.300 0.037 0.000 1.193 111 P CA 0.572 63.686 63.100 0.023 0.000 0.765 111 P CB 1.149 32.852 31.700 0.005 0.000 0.823 112 S N -0.614 115.114 115.700 0.047 0.000 3.127 112 S HA -0.278 4.193 4.470 0.002 0.000 0.281 112 S C 0.483 175.121 174.600 0.064 0.000 1.293 112 S CA 0.998 59.222 58.200 0.041 0.000 1.156 112 S CB -3.035 60.176 63.200 0.018 0.000 1.389 112 S HN 0.880 nan 8.310 nan 0.000 0.672 113 H N 3.168 122.230 119.070 -0.013 0.000 3.004 113 H HA 0.527 5.084 4.556 0.002 0.000 0.316 113 H C 0.212 175.544 175.328 0.006 0.000 1.014 113 H CA 0.798 56.838 56.048 -0.014 0.000 1.454 113 H CB 0.318 30.076 29.762 -0.007 0.000 1.472 113 H HN 0.445 nan 8.280 nan 0.000 0.571 114 N N 6.193 124.627 118.700 -0.443 0.000 2.462 114 N HA 0.172 4.914 4.740 0.002 0.000 0.242 114 N C -2.210 172.949 175.510 -0.584 0.000 1.010 114 N CA -2.287 50.544 53.050 -0.366 0.000 0.939 114 N CB 1.255 39.628 38.487 -0.191 0.000 1.127 114 N HN 0.405 nan 8.380 nan 0.000 0.509 115 P HA 0.000 nan 4.420 nan 0.000 0.229 115 P C 0.823 178.100 177.300 -0.038 0.000 1.160 115 P CA 0.596 63.606 63.100 -0.150 0.000 0.777 115 P CB 0.548 32.264 31.700 0.026 0.000 0.814 116 E N 0.022 120.191 120.200 -0.052 0.000 2.072 116 E HA -0.102 4.249 4.350 0.002 0.000 0.190 116 E C 2.060 178.668 176.600 0.014 0.000 0.982 116 E CA 1.619 58.018 56.400 -0.002 0.000 0.803 116 E CB -0.513 29.185 29.700 -0.004 0.000 0.755 116 E HN 0.301 nan 8.360 nan 0.000 0.453 117 S N 0.943 116.635 115.700 -0.013 0.000 2.447 117 S HA -0.178 4.293 4.470 0.002 0.000 0.233 117 S C 1.807 176.446 174.600 0.066 0.000 1.006 117 S CA 1.421 59.630 58.200 0.015 0.000 0.957 117 S CB -0.195 62.999 63.200 -0.010 0.000 0.773 117 S HN 0.309 nan 8.310 nan 0.000 0.507 118 E N 1.412 121.664 120.200 0.086 0.000 2.400 118 E HA 0.171 4.523 4.350 0.002 0.000 0.195 118 E C 1.881 178.614 176.600 0.221 0.000 1.012 118 E CA 0.300 56.813 56.400 0.189 0.000 0.875 118 E CB -0.230 29.648 29.700 0.296 0.000 0.859 118 E HN 0.527 nan 8.360 nan 0.000 0.498 119 K N 1.075 121.571 120.400 0.160 0.000 2.103 119 K HA -0.161 4.161 4.320 0.002 0.000 0.204 119 K C 2.065 178.753 176.600 0.146 0.000 1.052 119 K CA 1.455 57.833 56.287 0.150 0.000 0.945 119 K CB 0.021 32.585 32.500 0.107 0.000 0.722 119 K HN 0.055 nan 8.250 nan 0.000 0.443 120 K N 0.982 121.455 120.400 0.121 0.000 2.026 120 K HA -0.114 4.207 4.320 0.002 0.000 0.208 120 K C 2.032 178.718 176.600 0.143 0.000 1.048 120 K CA 1.439 57.788 56.287 0.104 0.000 0.929 120 K CB -0.019 32.524 32.500 0.072 0.000 0.713 120 K HN 0.064 nan 8.250 nan 0.000 0.439 121 R N -0.226 120.397 120.500 0.205 0.000 2.075 121 R HA -0.012 4.329 4.340 0.002 0.000 0.232 121 R C 2.384 178.988 176.300 0.506 0.000 1.126 121 R CA 1.108 57.401 56.100 0.322 0.000 0.963 121 R CB -0.442 30.068 30.300 0.350 0.000 0.858 121 R HN 0.334 nan 8.270 nan 0.000 0.435 122 A N 1.163 124.285 122.820 0.503 0.000 1.940 122 A HA -0.236 4.085 4.320 0.002 0.000 0.219 122 A C 2.006 179.787 177.584 0.328 0.000 1.176 122 A CA 1.589 53.926 52.037 0.499 0.000 0.631 122 A CB -0.412 18.808 19.000 0.366 0.000 0.814 122 A HN 0.414 nan 8.150 nan 0.000 0.446 123 E N -1.184 119.142 120.200 0.211 0.000 2.107 123 E HA -0.164 4.187 4.350 0.002 0.000 0.191 123 E C 1.794 178.455 176.600 0.103 0.000 0.982 123 E CA 1.235 57.716 56.400 0.134 0.000 0.809 123 E CB -0.100 29.654 29.700 0.090 0.000 0.756 123 E HN 0.471 nan 8.360 nan 0.000 0.459 124 M N -0.356 119.286 119.600 0.070 0.000 2.236 124 M HA -0.021 4.461 4.480 0.002 0.000 0.266 124 M C 1.760 177.964 176.300 -0.160 0.000 1.070 124 M CA 1.470 56.733 55.300 -0.062 0.000 1.137 124 M CB -1.225 31.296 32.600 -0.131 0.000 1.378 124 M HN 0.181 nan 8.290 nan 0.000 0.426 125 H N -1.267 117.765 119.070 -0.062 0.000 2.495 125 H HA 0.001 4.559 4.556 0.002 0.000 0.287 125 H C 0.806 175.762 175.328 -0.621 0.000 1.033 125 H CA 1.204 57.052 56.048 -0.333 0.000 1.307 125 H CB -0.052 29.488 29.762 -0.370 0.000 1.401 125 H HN 0.233 nan 8.280 nan 0.000 0.555 126 F N 0.250 120.145 119.950 -0.091 0.000 2.639 126 F HA 0.175 4.703 4.527 0.002 0.000 0.302 126 F C 0.480 176.240 175.800 -0.066 0.000 1.097 126 F CA -0.545 57.362 58.000 -0.154 0.000 1.294 126 F CB 0.394 39.243 39.000 -0.251 0.000 1.027 126 F HN 0.118 nan 8.300 nan 0.000 0.550 127 Q N -0.737 119.080 119.800 0.027 0.000 2.445 127 Q HA 0.793 5.134 4.340 0.002 0.000 0.281 127 Q C 0.545 176.495 176.000 -0.084 0.000 1.101 127 Q CA -0.455 55.321 55.803 -0.045 0.000 0.833 127 Q CB 1.454 30.169 28.738 -0.039 0.000 1.416 127 Q HN 0.170 nan 8.270 nan 0.000 0.451 128 G N 0.679 109.417 108.800 -0.103 0.000 2.566 128 G HA2 -0.251 3.710 3.960 0.002 0.000 0.280 128 G HA3 -0.251 3.710 3.960 0.002 0.000 0.280 128 G C 0.826 175.693 174.900 -0.054 0.000 1.225 128 G CA 1.140 46.194 45.100 -0.077 0.000 0.966 128 G HN 1.611 nan 8.290 nan 0.000 0.560 129 A N -1.136 121.654 122.820 -0.051 0.000 1.972 129 A HA 0.170 4.492 4.320 0.002 0.000 0.219 129 A C 2.790 180.346 177.584 -0.045 0.000 1.169 129 A CA 3.053 55.067 52.037 -0.038 0.000 0.635 129 A CB -0.778 18.199 19.000 -0.038 0.000 0.810 129 A HN 1.828 nan 8.150 nan 0.000 0.446 130 S N -0.683 114.972 115.700 -0.076 0.000 2.368 130 S HA -0.139 4.332 4.470 0.002 0.000 0.225 130 S C 1.914 176.450 174.600 -0.106 0.000 1.030 130 S CA 1.510 59.649 58.200 -0.101 0.000 0.999 130 S CB -0.413 62.690 63.200 -0.162 0.000 0.844 130 S HN 0.581 nan 8.310 nan 0.000 0.459 131 L N 1.438 122.613 121.223 -0.080 0.000 2.093 131 L HA 0.027 4.368 4.340 0.002 0.000 0.208 131 L C 2.278 179.196 176.870 0.079 0.000 1.085 131 L CA 2.183 57.013 54.840 -0.016 0.000 0.755 131 L CB -1.302 40.757 42.059 -0.000 0.000 0.904 131 L HN 0.231 nan 8.230 nan 0.000 0.435 132 T N -0.609 113.980 114.554 0.058 0.000 2.720 132 T HA -0.276 4.075 4.350 0.002 0.000 0.268 132 T C 1.739 176.481 174.700 0.069 0.000 1.037 132 T CA 1.902 64.051 62.100 0.080 0.000 1.144 132 T CB -0.230 68.661 68.868 0.038 0.000 0.864 132 T HN 0.527 nan 8.240 nan 0.000 0.444 133 Q N 0.361 120.179 119.800 0.031 0.000 2.020 133 Q HA -0.057 4.284 4.340 0.002 0.000 0.202 133 Q C 2.365 178.395 176.000 0.051 0.000 0.982 133 Q CA 1.248 57.066 55.803 0.024 0.000 0.838 133 Q CB -0.302 28.434 28.738 -0.003 0.000 0.899 133 Q HN 0.478 nan 8.270 nan 0.000 0.423 134 L N 0.293 121.539 121.223 0.039 0.000 2.079 134 L HA -0.216 4.125 4.340 0.002 0.000 0.210 134 L C 2.579 179.637 176.870 0.313 0.000 1.081 134 L CA 1.202 56.100 54.840 0.096 0.000 0.752 134 L CB -0.340 41.657 42.059 -0.103 0.000 0.896 134 L HN 0.191 nan 8.230 nan 0.000 0.433 135 S N -0.416 115.475 115.700 0.320 0.000 2.368 135 S HA -0.119 4.352 4.470 0.002 0.000 0.224 135 S C 1.734 176.428 174.600 0.156 0.000 1.029 135 S CA 0.982 59.369 58.200 0.312 0.000 0.988 135 S CB -0.271 63.157 63.200 0.379 0.000 0.838 135 S HN 0.439 nan 8.310 nan 0.000 0.462 136 N N 1.713 120.478 118.700 0.108 0.000 2.069 136 N HA -0.040 4.701 4.740 0.002 0.000 0.191 136 N C 1.869 177.416 175.510 0.062 0.000 1.031 136 N CA 1.314 54.398 53.050 0.057 0.000 0.852 136 N CB -0.681 37.828 38.487 0.037 0.000 1.018 136 N HN 0.240 nan 8.380 nan 0.000 0.423 137 S N 1.042 116.792 115.700 0.082 0.000 2.368 137 S HA -0.072 4.400 4.470 0.002 0.000 0.225 137 S C 1.879 176.534 174.600 0.092 0.000 1.030 137 S CA 0.707 58.953 58.200 0.076 0.000 0.999 137 S CB -0.180 63.064 63.200 0.073 0.000 0.844 137 S HN 0.329 nan 8.310 nan 0.000 0.459 138 M N 1.803 121.489 119.600 0.143 0.000 2.082 138 M HA -0.217 4.264 4.480 0.002 0.000 0.258 138 M C 1.986 178.316 176.300 0.050 0.000 1.069 138 M CA 1.763 57.131 55.300 0.113 0.000 1.102 138 M CB -0.915 31.752 32.600 0.111 0.000 1.336 138 M HN 0.344 nan 8.290 nan 0.000 0.404 139 Q N -0.104 119.719 119.800 0.040 0.000 2.061 139 Q HA -0.187 4.154 4.340 0.002 0.000 0.204 139 Q C 1.856 177.873 176.000 0.028 0.000 0.984 139 Q CA 1.804 57.619 55.803 0.020 0.000 0.846 139 Q CB -0.325 28.413 28.738 0.000 0.000 0.902 139 Q HN 0.579 nan 8.270 nan 0.000 0.421 140 N N 0.624 119.343 118.700 0.030 0.000 2.084 140 N HA -0.126 4.616 4.740 0.002 0.000 0.190 140 N C 1.427 176.954 175.510 0.028 0.000 1.030 140 N CA 1.081 54.147 53.050 0.027 0.000 0.849 140 N CB -0.410 38.092 38.487 0.024 0.000 1.012 140 N HN 0.279 nan 8.380 nan 0.000 0.423 141 N N 0.984 119.703 118.700 0.032 0.000 2.166 141 N HA -0.107 4.634 4.740 0.002 0.000 0.186 141 N C 1.793 177.318 175.510 0.026 0.000 1.019 141 N CA 0.363 53.430 53.050 0.028 0.000 0.856 141 N CB -0.448 38.058 38.487 0.033 0.000 0.993 141 N HN 0.153 nan 8.380 nan 0.000 0.426 142 L N 1.925 123.164 121.223 0.027 0.000 2.046 142 L HA -0.058 4.284 4.340 0.002 0.000 0.208 142 L C 2.257 179.147 176.870 0.033 0.000 1.077 142 L CA 1.465 56.319 54.840 0.023 0.000 0.747 142 L CB -0.368 41.704 42.059 0.021 0.000 0.896 142 L HN 0.030 nan 8.230 nan 0.000 0.432 143 R N -0.939 119.585 120.500 0.039 0.000 2.081 143 R HA -0.129 4.213 4.340 0.002 0.000 0.235 143 R C 2.225 178.548 176.300 0.040 0.000 1.131 143 R CA 1.578 57.705 56.100 0.046 0.000 0.960 143 R CB -0.502 29.822 30.300 0.040 0.000 0.856 143 R HN 0.388 nan 8.270 nan 0.000 0.436 144 L N 0.427 121.669 121.223 0.030 0.000 2.131 144 L HA -0.170 4.171 4.340 0.002 0.000 0.210 144 L C 1.931 178.817 176.870 0.028 0.000 1.092 144 L CA 1.094 55.950 54.840 0.026 0.000 0.759 144 L CB -0.205 41.866 42.059 0.020 0.000 0.903 144 L HN 0.193 nan 8.230 nan 0.000 0.435 145 L N -1.274 119.965 121.223 0.026 0.000 2.592 145 L HA 0.085 4.426 4.340 0.002 0.000 0.227 145 L C 1.484 178.365 176.870 0.018 0.000 1.127 145 L CA 0.191 55.041 54.840 0.017 0.000 0.884 145 L CB 0.167 42.229 42.059 0.005 0.000 1.065 145 L HN 0.245 nan 8.230 nan 0.000 0.457 146 M N -1.220 118.408 119.600 0.047 0.000 2.589 146 M HA 0.159 4.640 4.480 0.002 0.000 0.344 146 M C 0.291 176.692 176.300 0.167 0.000 1.168 146 M CA -0.049 55.306 55.300 0.092 0.000 0.956 146 M CB 0.737 33.400 32.600 0.106 0.000 1.370 146 M HN -0.079 nan 8.290 nan 0.000 0.518 147 T N 2.124 116.741 114.554 0.104 0.000 2.932 147 T HA 0.039 4.390 4.350 0.002 0.000 0.312 147 T C -1.513 173.264 174.700 0.128 0.000 1.071 147 T CA -0.707 61.447 62.100 0.090 0.000 1.128 147 T CB 0.895 69.795 68.868 0.053 0.000 0.984 147 T HN 0.090 nan 8.240 nan 0.000 0.549 148 P HA -0.165 nan 4.420 nan 0.000 0.216 148 P C 1.792 179.156 177.300 0.106 0.000 1.157 148 P CA 1.100 64.272 63.100 0.120 0.000 0.880 148 P CB -0.000 31.730 31.700 0.050 0.000 0.791 149 S N -1.031 114.709 115.700 0.067 0.000 2.368 149 S HA -0.187 4.284 4.470 0.002 0.000 0.225 149 S C 1.884 176.518 174.600 0.056 0.000 1.030 149 S CA 1.240 59.471 58.200 0.052 0.000 0.999 149 S CB -0.816 62.403 63.200 0.033 0.000 0.844 149 S HN 0.041 nan 8.310 nan 0.000 0.459 150 E N 0.567 120.803 120.200 0.059 0.000 2.204 150 E HA 0.017 4.368 4.350 0.002 0.000 0.194 150 E C 1.541 178.176 176.600 0.058 0.000 0.989 150 E CA 0.677 57.105 56.400 0.047 0.000 0.824 150 E CB -0.207 29.514 29.700 0.036 0.000 0.756 150 E HN 0.529 nan 8.360 nan 0.000 0.477 151 M N -0.644 119.020 119.600 0.106 0.000 2.563 151 M HA 0.139 4.620 4.480 0.002 0.000 0.231 151 M C 0.856 177.290 176.300 0.222 0.000 1.136 151 M CA 0.399 55.796 55.300 0.161 0.000 1.026 151 M CB -0.318 32.424 32.600 0.238 0.000 1.597 151 M HN 0.124 nan 8.290 nan 0.000 0.495 152 G N 1.716 110.593 108.800 0.128 0.000 2.221 152 G HA2 -0.245 3.717 3.960 0.002 0.000 0.265 152 G HA3 -0.245 3.717 3.960 0.002 0.000 0.265 152 G C 0.270 175.210 174.900 0.067 0.000 1.041 152 G CA -0.011 45.140 45.100 0.085 0.000 0.807 152 G HN 0.511 nan 8.290 nan 0.000 0.502 153 L N -0.927 120.351 121.223 0.091 0.000 3.084 153 L HA 0.366 4.708 4.340 0.002 0.000 0.238 153 L C 1.597 178.486 176.870 0.032 0.000 1.327 153 L CA -0.190 54.686 54.840 0.060 0.000 1.094 153 L CB 0.477 42.603 42.059 0.112 0.000 1.477 153 L HN 0.143 nan 8.230 nan 0.000 0.514 154 K N -1.203 119.211 120.400 0.024 0.000 2.353 154 K HA 0.167 4.488 4.320 0.002 0.000 0.195 154 K C 1.222 177.825 176.600 0.005 0.000 1.031 154 K CA 0.262 56.557 56.287 0.013 0.000 1.079 154 K CB 0.719 33.228 32.500 0.015 0.000 0.857 154 K HN 0.089 nan 8.250 nan 0.000 0.535 155 T N -0.529 114.027 114.554 0.004 0.000 2.986 155 T HA 0.100 4.451 4.350 0.002 0.000 0.264 155 T C -0.263 174.439 174.700 0.004 0.000 0.964 155 T CA -0.010 62.092 62.100 0.004 0.000 0.895 155 T CB 0.666 69.537 68.868 0.006 0.000 1.163 155 T HN 0.249 nan 8.240 nan 0.000 0.517 156 S N -0.404 115.295 115.700 -0.001 0.000 2.636 156 S HA 0.425 4.896 4.470 0.002 0.000 0.268 156 S C 0.374 174.957 174.600 -0.028 0.000 1.159 156 S CA -0.779 57.424 58.200 0.005 0.000 0.815 156 S CB 1.917 65.137 63.200 0.034 0.000 1.130 156 S HN 0.078 nan 8.310 nan 0.000 0.471 157 E N -0.364 119.813 120.200 -0.038 0.000 2.072 157 E HA 0.033 4.384 4.350 0.002 0.000 0.190 157 E C -0.608 175.792 176.600 -0.333 0.000 0.982 157 E CA 0.735 57.012 56.400 -0.205 0.000 0.803 157 E CB 0.120 29.681 29.700 -0.232 0.000 0.755 157 E HN 0.604 nan 8.360 nan 0.000 0.453 158 W N 0.333 121.601 121.300 -0.052 0.000 2.689 158 W HA 0.473 5.134 4.660 0.002 0.000 0.340 158 W C -0.196 176.207 176.519 -0.194 0.000 1.060 158 W CA -0.907 56.373 57.345 -0.107 0.000 1.218 158 W CB 1.309 30.721 29.460 -0.079 0.000 1.410 158 W HN -0.356 nan 8.180 nan 0.000 0.528 159 K N 2.853 123.166 120.400 -0.145 0.000 2.345 159 K HA 0.320 4.641 4.320 0.002 0.000 0.255 159 K C -0.619 175.776 176.600 -0.342 0.000 0.934 159 K CA -0.714 55.378 56.287 -0.325 0.000 0.801 159 K CB 1.477 33.648 32.500 -0.548 0.000 1.137 159 K HN 0.393 nan 8.250 nan 0.000 0.424 160 K N 2.443 122.758 120.400 -0.142 0.000 2.205 160 K HA 0.269 4.590 4.320 0.002 0.000 0.279 160 K C -0.401 176.188 176.600 -0.019 0.000 1.027 160 K CA -0.394 55.853 56.287 -0.067 0.000 0.932 160 K CB 0.999 33.478 32.500 -0.034 0.000 1.032 160 K HN 0.596 nan 8.250 nan 0.000 0.466 161 D N -0.161 120.270 120.400 0.053 0.000 2.639 161 D HA 0.333 4.974 4.640 0.002 0.000 0.271 161 D C -0.857 175.500 176.300 0.094 0.000 1.254 161 D CA -0.428 53.631 54.000 0.098 0.000 0.810 161 D CB 1.686 42.604 40.800 0.197 0.000 1.351 161 D HN 0.512 nan 8.370 nan 0.000 0.427 162 G N 0.835 109.680 108.800 0.076 0.000 2.390 162 G HA2 0.318 4.280 3.960 0.002 0.000 0.270 162 G HA3 0.318 4.280 3.960 0.002 0.000 0.270 162 G C 0.893 175.847 174.900 0.091 0.000 1.211 162 G CA -0.330 44.813 45.100 0.072 0.000 0.842 162 G HN 0.379 nan 8.290 nan 0.000 0.519 163 L N 3.446 124.753 121.223 0.140 0.000 2.042 163 L HA -0.033 4.309 4.340 0.002 0.000 0.210 163 L C 2.307 179.297 176.870 0.199 0.000 1.076 163 L CA 1.729 56.691 54.840 0.202 0.000 0.749 163 L CB -0.706 41.535 42.059 0.302 0.000 0.893 163 L HN 0.635 nan 8.230 nan 0.000 0.432 164 F N 0.710 120.531 119.950 -0.214 0.000 2.069 164 F HA -0.289 4.240 4.527 0.002 0.000 0.298 164 F C 2.456 178.159 175.800 -0.161 0.000 1.113 164 F CA 2.143 59.759 58.000 -0.639 0.000 1.214 164 F CB -0.768 37.457 39.000 -1.291 0.000 0.978 164 F HN 0.368 nan 8.300 nan 0.000 0.474 165 N N 0.330 118.917 118.700 -0.188 0.000 2.166 165 N HA -0.196 4.545 4.740 0.002 0.000 0.186 165 N C 1.758 177.207 175.510 -0.102 0.000 1.019 165 N CA 1.556 54.529 53.050 -0.128 0.000 0.856 165 N CB -0.444 38.054 38.487 0.018 0.000 0.993 165 N HN 0.416 nan 8.380 nan 0.000 0.426 166 L N -0.162 121.014 121.223 -0.078 0.000 2.044 166 L HA -0.005 4.336 4.340 0.002 0.000 0.205 166 L C 2.140 178.928 176.870 -0.137 0.000 1.075 166 L CA 1.467 56.246 54.840 -0.102 0.000 0.747 166 L CB -0.939 41.078 42.059 -0.070 0.000 0.903 166 L HN 0.251 nan 8.230 nan 0.000 0.435 167 C N -1.305 117.942 119.300 -0.088 0.000 2.446 167 C HA -0.180 4.281 4.460 0.002 0.000 0.277 167 C C 2.592 177.555 174.990 -0.046 0.000 1.275 167 C CA 0.869 59.856 59.018 -0.051 0.000 1.727 167 C CB -1.074 26.696 27.740 0.050 0.000 2.010 167 C HN 0.633 nan 8.230 nan 0.000 0.486 168 Y N 0.397 120.535 120.300 -0.271 0.000 2.181 168 Y HA -0.241 4.310 4.550 0.002 0.000 0.288 168 Y C 2.955 178.689 175.900 -0.276 0.000 1.146 168 Y CA 1.283 59.256 58.100 -0.211 0.000 1.164 168 Y CB -0.129 38.123 38.460 -0.347 0.000 0.982 168 Y HN 0.324 nan 8.280 nan 0.000 0.515 169 S N 0.242 115.685 115.700 -0.429 0.000 2.359 169 S HA -0.209 4.263 4.470 0.002 0.000 0.224 169 S C 1.862 176.240 174.600 -0.370 0.000 1.035 169 S CA 1.601 59.219 58.200 -0.969 0.000 1.018 169 S CB -0.512 62.223 63.200 -0.775 0.000 0.876 169 S HN 0.459 nan 8.310 nan 0.000 0.448 170 L N 0.708 121.813 121.223 -0.195 0.000 2.072 170 L HA 0.007 4.348 4.340 0.002 0.000 0.205 170 L C 2.380 179.239 176.870 -0.020 0.000 1.079 170 L CA 0.927 55.707 54.840 -0.101 0.000 0.752 170 L CB -0.396 41.595 42.059 -0.113 0.000 0.906 170 L HN 0.328 nan 8.230 nan 0.000 0.436 171 L N -1.503 119.735 121.223 0.024 0.000 2.179 171 L HA -0.168 4.173 4.340 0.002 0.000 0.208 171 L C 2.534 179.476 176.870 0.120 0.000 1.096 171 L CA 0.880 55.755 54.840 0.058 0.000 0.779 171 L CB -0.406 41.682 42.059 0.049 0.000 0.922 171 L HN 0.199 nan 8.230 nan 0.000 0.443 172 F N 1.461 121.452 119.950 0.068 0.000 2.095 172 F HA -0.255 4.273 4.527 0.002 0.000 0.298 172 F C 2.442 178.266 175.800 0.040 0.000 1.104 172 F CA 1.750 59.794 58.000 0.074 0.000 1.232 172 F CB -0.056 38.994 39.000 0.083 0.000 0.987 172 F HN -0.137 nan 8.300 nan 0.000 0.475 173 K N -0.519 119.989 120.400 0.180 0.000 2.097 173 K HA -0.095 4.226 4.320 0.002 0.000 0.205 173 K C 1.937 178.562 176.600 0.042 0.000 1.050 173 K CA 1.837 58.206 56.287 0.136 0.000 0.938 173 K CB -0.484 32.087 32.500 0.118 0.000 0.718 173 K HN 0.278 nan 8.250 nan 0.000 0.442 174 T N 0.366 114.936 114.554 0.027 0.000 2.701 174 T HA -0.112 4.239 4.350 0.002 0.000 0.263 174 T C 2.038 176.773 174.700 0.058 0.000 1.040 174 T CA 1.464 63.582 62.100 0.030 0.000 1.147 174 T CB -0.735 68.144 68.868 0.018 0.000 0.865 174 T HN 0.434 nan 8.240 nan 0.000 0.426 175 G N 0.499 109.330 108.800 0.051 0.000 2.491 175 G HA2 -0.297 3.664 3.960 0.002 0.000 0.218 175 G HA3 -0.297 3.664 3.960 0.002 0.000 0.218 175 G C 1.400 176.372 174.900 0.120 0.000 1.180 175 G CA 1.082 46.270 45.100 0.146 0.000 0.774 175 G HN 0.485 nan 8.290 nan 0.000 0.562 176 Y N 1.303 121.446 120.300 -0.262 0.000 2.070 176 Y HA -0.114 4.437 4.550 0.002 0.000 0.280 176 Y C 2.683 178.554 175.900 -0.049 0.000 1.148 176 Y CA 1.579 59.467 58.100 -0.353 0.000 1.125 176 Y CB -0.741 37.277 38.460 -0.737 0.000 0.975 176 Y HN 0.126 nan 8.280 nan 0.000 0.492 177 L N -0.813 120.265 121.223 -0.241 0.000 2.012 177 L HA -0.303 4.038 4.340 0.002 0.000 0.210 177 L C 2.316 179.144 176.870 -0.070 0.000 1.073 177 L CA 2.079 56.783 54.840 -0.226 0.000 0.748 177 L CB -1.009 40.998 42.059 -0.087 0.000 0.891 177 L HN 0.284 nan 8.230 nan 0.000 0.431 178 T N -0.835 113.744 114.554 0.043 0.000 2.643 178 T HA -0.151 4.200 4.350 0.002 0.000 0.264 178 T C 1.909 176.672 174.700 0.105 0.000 1.045 178 T CA 1.482 63.647 62.100 0.108 0.000 1.155 178 T CB -0.317 68.694 68.868 0.239 0.000 0.863 178 T HN 0.063 nan 8.240 nan 0.000 0.420 179 V N 0.212 120.240 119.914 0.189 0.000 2.548 179 V HA 0.007 4.129 4.120 0.002 0.000 0.249 179 V C 1.825 178.031 176.094 0.187 0.000 1.055 179 V CA 1.461 63.876 62.300 0.192 0.000 1.065 179 V CB -0.670 31.308 31.823 0.258 0.000 0.681 179 V HN 0.464 nan 8.190 nan 0.000 0.462 180 F N 0.102 120.038 119.950 -0.023 0.000 2.731 180 F HA 0.409 4.937 4.527 0.002 0.000 0.298 180 F C 1.800 177.529 175.800 -0.119 0.000 1.106 180 F CA 0.475 58.447 58.000 -0.047 0.000 1.329 180 F CB 0.065 39.013 39.000 -0.087 0.000 1.100 180 F HN 0.256 nan 8.300 nan 0.000 0.592 181 G N 1.746 110.558 108.800 0.019 0.000 2.371 181 G HA2 -0.179 3.782 3.960 0.002 0.000 0.299 181 G HA3 -0.179 3.782 3.960 0.002 0.000 0.299 181 G C 0.300 175.162 174.900 -0.062 0.000 1.014 181 G CA 0.298 45.380 45.100 -0.030 0.000 1.097 181 G HN 0.567 nan 8.290 nan 0.000 0.512 182 A N 0.494 123.203 122.820 -0.186 0.000 3.264 182 A HA 0.567 4.889 4.320 0.002 0.000 0.299 182 A C 1.575 179.082 177.584 -0.129 0.000 1.272 182 A CA 0.762 52.685 52.037 -0.190 0.000 1.030 182 A CB 0.087 18.812 19.000 -0.459 0.000 1.102 182 A HN 0.713 nan 8.150 nan 0.000 0.615 183 E N 0.775 120.934 120.200 -0.069 0.000 2.472 183 E HA -0.246 4.105 4.350 0.002 0.000 0.200 183 E C 0.860 177.456 176.600 -0.007 0.000 1.046 183 E CA 1.285 57.665 56.400 -0.033 0.000 0.871 183 E CB -0.772 28.916 29.700 -0.021 0.000 0.806 183 E HN 0.844 nan 8.360 nan 0.000 0.533 184 N N 0.939 119.641 118.700 0.004 0.000 2.430 184 N HA -0.150 4.591 4.740 0.002 0.000 0.186 184 N C 0.236 175.763 175.510 0.029 0.000 1.032 184 N CA 0.722 53.785 53.050 0.023 0.000 0.893 184 N CB -0.200 38.312 38.487 0.041 0.000 0.957 184 N HN -0.031 nan 8.380 nan 0.000 0.442 185 N N 1.618 120.339 118.700 0.035 0.000 2.419 185 N HA 0.052 4.793 4.740 0.002 0.000 0.264 185 N C -0.678 174.846 175.510 0.023 0.000 1.031 185 N CA -0.402 52.674 53.050 0.043 0.000 0.951 185 N CB 0.887 39.446 38.487 0.121 0.000 1.101 185 N HN 0.463 nan 8.380 nan 0.000 0.488 186 N N 0.030 118.731 118.700 0.002 0.000 2.327 186 N HA 0.013 4.754 4.740 0.002 0.000 0.257 186 N C 1.087 176.598 175.510 0.001 0.000 1.281 186 N CA -0.348 52.702 53.050 -0.000 0.000 0.942 186 N CB 0.138 38.620 38.487 -0.008 0.000 1.199 186 N HN 0.264 nan 8.380 nan 0.000 0.532 187 S N -0.911 114.790 115.700 0.002 0.000 2.374 187 S HA -0.196 4.275 4.470 0.002 0.000 0.227 187 S C 1.716 176.313 174.600 -0.004 0.000 1.037 187 S CA 1.668 59.871 58.200 0.006 0.000 1.024 187 S CB -0.948 62.256 63.200 0.006 0.000 0.861 187 S HN 0.750 nan 8.310 nan 0.000 0.456 188 A N 0.677 123.485 122.820 -0.021 0.000 1.970 188 A HA 0.442 4.764 4.320 0.002 0.000 0.216 188 A C 2.380 179.916 177.584 -0.080 0.000 1.170 188 A CA 1.401 53.413 52.037 -0.040 0.000 0.645 188 A CB -1.060 17.915 19.000 -0.041 0.000 0.816 188 A HN 0.725 nan 8.150 nan 0.000 0.447 189 A N 0.047 122.811 122.820 -0.093 0.000 1.930 189 A HA 0.003 4.325 4.320 0.002 0.000 0.217 189 A C 2.097 179.611 177.584 -0.116 0.000 1.175 189 A CA 1.334 53.272 52.037 -0.166 0.000 0.627 189 A CB -0.553 18.363 19.000 -0.140 0.000 0.815 189 A HN 0.461 nan 8.150 nan 0.000 0.443 190 L N -0.736 120.486 121.223 -0.002 0.000 2.046 190 L HA -0.164 4.177 4.340 0.002 0.000 0.208 190 L C 2.760 179.676 176.870 0.078 0.000 1.077 190 L CA 1.745 56.641 54.840 0.093 0.000 0.747 190 L CB -0.973 41.163 42.059 0.128 0.000 0.896 190 L HN 0.326 nan 8.230 nan 0.000 0.432 191 T N -1.216 113.354 114.554 0.026 0.000 2.746 191 T HA -0.268 4.083 4.350 0.002 0.000 0.267 191 T C 1.876 176.580 174.700 0.006 0.000 1.039 191 T CA 1.325 63.450 62.100 0.043 0.000 1.142 191 T CB -0.145 68.734 68.868 0.017 0.000 0.866 191 T HN 0.326 nan 8.240 nan 0.000 0.444 192 Q N 0.123 119.864 119.800 -0.098 0.000 2.084 192 Q HA -0.073 4.269 4.340 0.002 0.000 0.202 192 Q C 2.307 178.233 176.000 -0.124 0.000 0.978 192 Q CA 1.265 56.961 55.803 -0.179 0.000 0.844 192 Q CB -0.232 28.257 28.738 -0.414 0.000 0.898 192 Q HN 0.541 nan 8.270 nan 0.000 0.426 193 I N -0.260 120.236 120.570 -0.122 0.000 2.142 193 I HA -0.291 3.880 4.170 0.002 0.000 0.240 193 I C 2.295 178.382 176.117 -0.050 0.000 1.078 193 I CA 1.331 62.657 61.300 0.044 0.000 1.343 193 I CB -0.679 37.342 38.000 0.034 0.000 1.046 193 I HN 0.325 nan 8.210 nan 0.000 0.405 194 Y N 2.143 122.245 120.300 -0.330 0.000 2.114 194 Y HA -0.288 4.264 4.550 0.002 0.000 0.282 194 Y C 2.436 178.073 175.900 -0.438 0.000 1.165 194 Y CA 1.817 59.447 58.100 -0.783 0.000 1.148 194 Y CB -0.421 37.701 38.460 -0.564 0.000 0.972 194 Y HN 0.193 nan 8.280 nan 0.000 0.504 195 E N -0.598 119.357 120.200 -0.409 0.000 2.106 195 E HA -0.203 4.149 4.350 0.002 0.000 0.192 195 E C 2.057 178.483 176.600 -0.289 0.000 0.984 195 E CA 1.108 57.250 56.400 -0.431 0.000 0.806 195 E CB -0.086 29.504 29.700 -0.183 0.000 0.750 195 E HN 0.398 nan 8.360 nan 0.000 0.458 196 E N 0.590 120.731 120.200 -0.097 0.000 2.051 196 E HA -0.175 4.176 4.350 0.002 0.000 0.192 196 E C 1.614 178.176 176.600 -0.064 0.000 0.991 196 E CA 0.778 57.172 56.400 -0.010 0.000 0.799 196 E CB -0.325 29.507 29.700 0.220 0.000 0.748 196 E HN 0.185 nan 8.360 nan 0.000 0.449 197 F N 1.422 121.238 119.950 -0.224 0.000 2.065 197 F HA -0.254 4.274 4.527 0.002 0.000 0.298 197 F C 2.109 177.799 175.800 -0.183 0.000 1.112 197 F CA 1.763 59.663 58.000 -0.167 0.000 1.212 197 F CB -0.147 38.666 39.000 -0.312 0.000 0.975 197 F HN -0.052 nan 8.300 nan 0.000 0.476 198 R N 0.532 120.732 120.500 -0.499 0.000 2.133 198 R HA -0.189 4.153 4.340 0.002 0.000 0.247 198 R C 2.327 178.393 176.300 -0.390 0.000 1.151 198 R CA 1.855 57.618 56.100 -0.562 0.000 0.971 198 R CB -0.782 29.087 30.300 -0.719 0.000 0.866 198 R HN 0.420 nan 8.270 nan 0.000 0.447 199 R N -0.716 119.606 120.500 -0.296 0.000 2.092 199 R HA -0.117 4.224 4.340 0.002 0.000 0.231 199 R C 2.216 178.381 176.300 -0.224 0.000 1.119 199 R CA 1.326 57.294 56.100 -0.221 0.000 0.970 199 R CB -0.437 29.766 30.300 -0.162 0.000 0.864 199 R HN 0.177 nan 8.270 nan 0.000 0.440 200 F N 2.274 121.996 119.950 -0.380 0.000 2.084 200 F HA -0.207 4.321 4.527 0.002 0.000 0.296 200 F C 1.949 177.467 175.800 -0.470 0.000 1.111 200 F CA 1.885 59.640 58.000 -0.407 0.000 1.224 200 F CB -0.492 38.273 39.000 -0.392 0.000 0.991 200 F HN -0.086 nan 8.300 nan 0.000 0.471 201 D N 0.484 120.432 120.400 -0.752 0.000 2.104 201 D HA -0.218 4.423 4.640 0.002 0.000 0.194 201 D C 2.214 178.205 176.300 -0.516 0.000 0.994 201 D CA 1.289 54.859 54.000 -0.717 0.000 0.830 201 D CB -0.272 40.207 40.800 -0.535 0.000 0.959 201 D HN 0.045 nan 8.370 nan 0.000 0.452 202 K N -0.102 120.067 120.400 -0.385 0.000 2.113 202 K HA -0.104 4.217 4.320 0.002 0.000 0.208 202 K C 1.886 178.277 176.600 -0.347 0.000 1.047 202 K CA 0.805 56.922 56.287 -0.283 0.000 0.928 202 K CB -0.313 32.052 32.500 -0.224 0.000 0.716 202 K HN 0.325 nan 8.250 nan 0.000 0.446 203 L N 0.547 121.500 121.223 -0.449 0.000 2.607 203 L HA 0.080 4.422 4.340 0.002 0.000 0.228 203 L C 2.063 178.593 176.870 -0.566 0.000 1.123 203 L CA -0.193 54.389 54.840 -0.429 0.000 0.890 203 L CB 0.052 41.897 42.059 -0.357 0.000 1.103 203 L HN 0.078 nan 8.230 nan 0.000 0.468 204 L N 0.981 121.741 121.223 -0.772 0.000 2.056 204 L HA -0.050 4.291 4.340 0.002 0.000 0.207 204 L C -0.496 175.878 176.870 -0.827 0.000 1.078 204 L CA 1.497 55.774 54.840 -0.939 0.000 0.749 204 L CB -0.776 40.583 42.059 -1.166 0.000 0.901 204 L HN 0.126 nan 8.230 nan 0.000 0.433 205 P HA -0.192 nan 4.420 nan 0.000 0.215 205 P C 1.171 178.246 177.300 -0.375 0.000 1.157 205 P CA 1.667 64.250 63.100 -0.862 0.000 0.868 205 P CB -0.021 31.286 31.700 -0.655 0.000 0.788 206 K N -0.734 119.483 120.400 -0.305 0.000 2.097 206 K HA -0.063 4.258 4.320 0.002 0.000 0.205 206 K C 2.138 178.625 176.600 -0.188 0.000 1.050 206 K CA 1.024 57.196 56.287 -0.192 0.000 0.938 206 K CB -0.702 31.694 32.500 -0.173 0.000 0.718 206 K HN 0.158 nan 8.250 nan 0.000 0.442 207 L N 0.396 121.457 121.223 -0.270 0.000 2.093 207 L HA -0.158 4.183 4.340 0.002 0.000 0.208 207 L C 2.446 179.196 176.870 -0.199 0.000 1.085 207 L CA 0.917 55.609 54.840 -0.245 0.000 0.755 207 L CB -0.396 41.458 42.059 -0.342 0.000 0.904 207 L HN 0.198 nan 8.230 nan 0.000 0.435 208 A N -0.177 122.512 122.820 -0.220 0.000 2.015 208 A HA -0.150 4.171 4.320 0.002 0.000 0.219 208 A C 2.213 179.790 177.584 -0.012 0.000 1.163 208 A CA 1.163 53.147 52.037 -0.089 0.000 0.646 208 A CB -0.314 18.726 19.000 0.067 0.000 0.806 208 A HN 0.373 nan 8.150 nan 0.000 0.448 209 R N -1.334 119.149 120.500 -0.027 0.000 2.312 209 R HA 0.113 4.454 4.340 0.002 0.000 0.205 209 R C -0.057 176.228 176.300 -0.025 0.000 0.904 209 R CA 0.697 56.788 56.100 -0.015 0.000 1.052 209 R CB 0.080 30.370 30.300 -0.017 0.000 1.014 209 R HN 0.407 nan 8.270 nan 0.000 0.503 210 T N -0.457 114.074 114.554 -0.039 0.000 4.358 210 T HA -0.132 4.219 4.350 0.002 0.000 0.326 210 T C 0.466 175.148 174.700 -0.029 0.000 0.793 210 T CA 1.379 63.461 62.100 -0.029 0.000 1.973 210 T CB -1.732 67.137 68.868 0.001 0.000 1.915 210 T HN 0.246 nan 8.240 nan 0.000 0.920 211 T N 0.800 115.326 114.554 -0.047 0.000 3.174 211 T HA 0.347 4.699 4.350 0.002 0.000 0.269 211 T C 1.073 175.739 174.700 -0.057 0.000 1.017 211 T CA 0.228 62.302 62.100 -0.043 0.000 0.899 211 T CB 0.156 68.999 68.868 -0.041 0.000 1.077 211 T HN 0.708 nan 8.240 nan 0.000 0.552 212 V N 2.680 122.553 119.914 -0.068 0.000 2.521 212 V HA 0.400 4.521 4.120 0.002 0.000 0.286 212 V C 0.407 176.466 176.094 -0.058 0.000 1.034 212 V CA -1.606 60.648 62.300 -0.077 0.000 1.045 212 V CB -0.346 31.422 31.823 -0.093 0.000 0.974 212 V HN 0.399 nan 8.190 nan 0.000 0.480 213 N N 3.783 122.449 118.700 -0.058 0.000 2.322 213 N HA 0.166 4.908 4.740 0.002 0.000 0.270 213 N C 0.763 176.243 175.510 -0.049 0.000 1.286 213 N CA -0.305 52.716 53.050 -0.047 0.000 0.948 213 N CB 0.486 38.947 38.487 -0.043 0.000 1.164 213 N HN 0.605 nan 8.380 nan 0.000 0.551 214 K N -0.106 120.269 120.400 -0.042 0.000 1.991 214 K HA -0.196 4.125 4.320 0.002 0.000 0.212 214 K C 1.495 178.066 176.600 -0.048 0.000 1.049 214 K CA 1.900 58.163 56.287 -0.040 0.000 0.932 214 K CB -0.437 32.043 32.500 -0.034 0.000 0.717 214 K HN 0.636 nan 8.250 nan 0.000 0.441 215 E N 0.484 120.655 120.200 -0.049 0.000 2.058 215 E HA -0.181 4.171 4.350 0.002 0.000 0.194 215 E C 2.007 178.566 176.600 -0.068 0.000 0.997 215 E CA 1.853 58.220 56.400 -0.055 0.000 0.801 215 E CB -0.125 29.544 29.700 -0.052 0.000 0.746 215 E HN 0.443 nan 8.360 nan 0.000 0.450 216 E N 0.439 120.594 120.200 -0.075 0.000 2.153 216 E HA -0.174 4.178 4.350 0.002 0.000 0.194 216 E C 1.902 178.442 176.600 -0.100 0.000 0.988 216 E CA 0.784 57.127 56.400 -0.095 0.000 0.811 216 E CB -0.019 29.619 29.700 -0.103 0.000 0.746 216 E HN 0.101 nan 8.360 nan 0.000 0.466 217 K N 0.716 121.066 120.400 -0.083 0.000 2.097 217 K HA -0.174 4.147 4.320 0.002 0.000 0.205 217 K C 2.074 178.627 176.600 -0.078 0.000 1.050 217 K CA 1.131 57.371 56.287 -0.077 0.000 0.938 217 K CB 0.155 32.620 32.500 -0.059 0.000 0.718 217 K HN 0.039 nan 8.250 nan 0.000 0.442 218 Q N 0.150 119.905 119.800 -0.074 0.000 2.083 218 Q HA -0.035 4.306 4.340 0.002 0.000 0.198 218 Q C 1.982 177.925 176.000 -0.094 0.000 0.969 218 Q CA 1.239 56.996 55.803 -0.076 0.000 0.838 218 Q CB 0.104 28.804 28.738 -0.063 0.000 0.900 218 Q HN 0.311 nan 8.270 nan 0.000 0.436 219 I N 0.229 120.740 120.570 -0.097 0.000 2.252 219 I HA -0.257 3.914 4.170 0.002 0.000 0.245 219 I C 2.303 178.345 176.117 -0.126 0.000 1.102 219 I CA 0.871 62.106 61.300 -0.109 0.000 1.385 219 I CB -0.323 37.613 38.000 -0.107 0.000 1.064 219 I HN 0.179 nan 8.210 nan 0.000 0.414 220 A N -0.193 122.553 122.820 -0.122 0.000 1.877 220 A HA -0.245 4.076 4.320 0.002 0.000 0.216 220 A C 2.497 179.996 177.584 -0.142 0.000 1.186 220 A CA 2.248 54.219 52.037 -0.110 0.000 0.620 220 A CB -0.859 18.072 19.000 -0.116 0.000 0.822 220 A HN 0.390 nan 8.150 nan 0.000 0.443 221 S N -0.577 115.035 115.700 -0.146 0.000 2.383 221 S HA 0.009 4.480 4.470 0.002 0.000 0.227 221 S C 2.107 176.551 174.600 -0.261 0.000 1.026 221 S CA 1.499 59.588 58.200 -0.185 0.000 0.981 221 S CB -0.431 62.702 63.200 -0.111 0.000 0.818 221 S HN 0.781 nan 8.310 nan 0.000 0.472 222 A N 1.250 123.943 122.820 -0.211 0.000 1.897 222 A HA 0.325 4.646 4.320 0.002 0.000 0.215 222 A C 2.472 179.872 177.584 -0.307 0.000 1.181 222 A CA 1.608 53.509 52.037 -0.225 0.000 0.620 222 A CB -1.371 17.535 19.000 -0.157 0.000 0.821 222 A HN 0.731 nan 8.150 nan 0.000 0.443 223 A N -0.148 122.507 122.820 -0.276 0.000 1.902 223 A HA -0.165 4.156 4.320 0.002 0.000 0.217 223 A C 2.246 179.538 177.584 -0.487 0.000 1.181 223 A CA 1.493 53.350 52.037 -0.301 0.000 0.623 223 A CB -0.495 18.402 19.000 -0.170 0.000 0.818 223 A HN 0.522 nan 8.150 nan 0.000 0.443 224 R N -0.293 119.840 120.500 -0.612 0.000 2.091 224 R HA -0.143 4.198 4.340 0.002 0.000 0.238 224 R C 2.099 177.472 176.300 -1.546 0.000 1.136 224 R CA 1.620 57.054 56.100 -1.109 0.000 0.959 224 R CB -0.343 29.276 30.300 -1.135 0.000 0.856 224 R HN 0.683 nan 8.270 nan 0.000 0.437 225 E N 0.566 120.119 120.200 -1.077 0.000 2.072 225 E HA -0.152 4.200 4.350 0.002 0.000 0.191 225 E C 1.949 178.232 176.600 -0.529 0.000 0.985 225 E CA 0.915 56.910 56.400 -0.674 0.000 0.801 225 E CB 0.012 29.495 29.700 -0.361 0.000 0.750 225 E HN 0.334 nan 8.360 nan 0.000 0.452 226 K N 0.744 120.735 120.400 -0.682 0.000 2.057 226 K HA -0.101 4.221 4.320 0.002 0.000 0.207 226 K C 2.318 178.224 176.600 -1.157 0.000 1.049 226 K CA 0.883 56.506 56.287 -1.106 0.000 0.931 226 K CB -0.162 31.548 32.500 -1.316 0.000 0.714 226 K HN 0.083 nan 8.250 nan 0.000 0.440 227 L N -0.367 120.439 121.223 -0.694 0.000 2.093 227 L HA -0.161 4.180 4.340 0.002 0.000 0.208 227 L C 2.368 179.217 176.870 -0.035 0.000 1.085 227 L CA 0.875 55.551 54.840 -0.274 0.000 0.755 227 L CB -0.405 41.534 42.059 -0.199 0.000 0.904 227 L HN 0.308 nan 8.230 nan 0.000 0.435 228 W N 0.550 121.756 121.300 -0.157 0.000 2.342 228 W HA -0.192 4.469 4.660 0.002 0.000 0.297 228 W C 2.614 179.108 176.519 -0.043 0.000 1.213 228 W CA 0.993 58.295 57.345 -0.071 0.000 1.251 228 W CB -0.755 28.658 29.460 -0.078 0.000 1.136 228 W HN 0.196 nan 8.180 nan 0.000 0.526 229 K N -0.560 119.897 120.400 0.094 0.000 2.031 229 K HA -0.160 4.162 4.320 0.002 0.000 0.205 229 K C 1.950 178.674 176.600 0.206 0.000 1.049 229 K CA 1.554 57.884 56.287 0.072 0.000 0.939 229 K CB -0.636 31.825 32.500 -0.065 0.000 0.717 229 K HN -0.033 nan 8.250 nan 0.000 0.438 230 W N 1.391 122.753 121.300 0.103 0.000 2.388 230 W HA -0.051 4.610 4.660 0.002 0.000 0.294 230 W C 1.911 178.509 176.519 0.133 0.000 1.212 230 W CA 0.502 57.903 57.345 0.093 0.000 1.271 230 W CB -0.775 28.716 29.460 0.052 0.000 1.126 230 W HN 0.069 nan 8.180 nan 0.000 0.535 231 L N -0.313 121.127 121.223 0.362 0.000 2.478 231 L HA 0.004 4.346 4.340 0.002 0.000 0.223 231 L C 0.382 177.454 176.870 0.335 0.000 1.140 231 L CA 0.900 55.943 54.840 0.337 0.000 0.842 231 L CB -0.756 41.478 42.059 0.293 0.000 0.953 231 L HN -0.304 nan 8.230 nan 0.000 0.452 232 T N 1.721 116.435 114.554 0.267 0.000 2.864 232 T HA 0.269 4.620 4.350 0.002 0.000 0.310 232 T C -2.367 172.439 174.700 0.176 0.000 1.040 232 T CA -1.078 61.143 62.100 0.202 0.000 0.977 232 T CB 1.544 70.502 68.868 0.150 0.000 0.976 232 T HN -0.105 nan 8.240 nan 0.000 0.459 233 P HA 0.233 nan 4.420 nan 0.000 0.237 233 P C 0.808 178.167 177.300 0.099 0.000 1.788 233 P CA -0.115 63.066 63.100 0.135 0.000 1.061 233 P CB 0.235 32.005 31.700 0.118 0.000 1.967 234 S N 2.096 117.854 115.700 0.098 0.000 2.374 234 S HA -0.144 4.328 4.470 0.002 0.000 0.227 234 S C 2.165 176.799 174.600 0.057 0.000 1.037 234 S CA 1.945 60.186 58.200 0.070 0.000 1.024 234 S CB -0.756 62.484 63.200 0.067 0.000 0.861 234 S HN 0.556 nan 8.310 nan 0.000 0.456 235 G N 0.618 109.456 108.800 0.063 0.000 2.598 235 G HA2 0.125 4.086 3.960 0.002 0.000 0.215 235 G HA3 0.125 4.086 3.960 0.002 0.000 0.215 235 G C 0.343 175.269 174.900 0.042 0.000 1.131 235 G CA 0.180 45.310 45.100 0.050 0.000 0.785 235 G HN 0.355 nan 8.290 nan 0.000 0.539 236 L N 0.544 121.795 121.223 0.046 0.000 2.325 236 L HA 0.358 4.699 4.340 0.002 0.000 0.279 236 L C -0.647 176.241 176.870 0.030 0.000 1.054 236 L CA -0.906 53.957 54.840 0.038 0.000 0.804 236 L CB 1.739 43.824 42.059 0.043 0.000 1.200 236 L HN -0.145 nan 8.230 nan 0.000 0.436 237 D N 2.059 122.472 120.400 0.023 0.000 2.896 237 D HA 0.119 4.760 4.640 0.002 0.000 0.240 237 D C -0.097 176.211 176.300 0.014 0.000 1.193 237 D CA -0.229 53.781 54.000 0.016 0.000 0.983 237 D CB 0.035 40.842 40.800 0.012 0.000 1.074 237 D HN 0.069 nan 8.370 nan 0.000 0.496 238 R N 1.359 121.870 120.500 0.018 0.000 2.296 238 R HA 0.117 4.458 4.340 0.002 0.000 0.327 238 R C 0.234 176.539 176.300 0.008 0.000 1.137 238 R CA -0.492 55.617 56.100 0.015 0.000 1.020 238 R CB 0.001 30.315 30.300 0.024 0.000 1.110 238 R HN 0.082 nan 8.270 nan 0.000 0.499 239 K N 5.067 125.468 120.400 0.002 0.000 2.472 239 K HA 0.044 4.366 4.320 0.002 0.000 0.280 239 K C -1.705 174.890 176.600 -0.009 0.000 1.028 239 K CA -0.918 55.366 56.287 -0.004 0.000 1.045 239 K CB 0.404 32.901 32.500 -0.006 0.000 0.902 239 K HN 0.315 nan 8.250 nan 0.000 0.478 240 P HA 0.069 nan 4.420 nan 0.000 0.271 240 P C -1.175 176.106 177.300 -0.031 0.000 1.216 240 P CA -0.020 63.065 63.100 -0.026 0.000 0.776 240 P CB 0.626 32.305 31.700 -0.035 0.000 0.881 241 R N 2.268 122.745 120.500 -0.037 0.000 2.287 241 R HA 0.139 4.480 4.340 0.002 0.000 0.327 241 R C 0.942 177.209 176.300 -0.054 0.000 1.109 241 R CA -0.192 55.886 56.100 -0.038 0.000 1.013 241 R CB 0.361 30.641 30.300 -0.033 0.000 1.126 241 R HN 0.513 nan 8.270 nan 0.000 0.503 242 E N 1.221 121.393 120.200 -0.047 0.000 2.418 242 E HA -0.131 4.220 4.350 0.002 0.000 0.197 242 E C 0.897 177.471 176.600 -0.043 0.000 1.026 242 E CA 0.590 56.957 56.400 -0.056 0.000 0.862 242 E CB 0.386 30.059 29.700 -0.046 0.000 0.799 242 E HN 0.442 nan 8.360 nan 0.000 0.518 243 Q N 0.167 119.955 119.800 -0.020 0.000 2.408 243 Q HA 0.047 4.388 4.340 0.002 0.000 0.205 243 Q C 1.108 177.141 176.000 0.054 0.000 0.919 243 Q CA 0.192 56.011 55.803 0.027 0.000 0.932 243 Q CB 0.380 29.135 28.738 0.028 0.000 1.058 243 Q HN 0.131 nan 8.270 nan 0.000 0.517 244 S N -0.971 114.705 115.700 -0.040 0.000 2.608 244 S HA 0.081 4.552 4.470 0.002 0.000 0.261 244 S C 0.718 175.103 174.600 -0.359 0.000 1.314 244 S CA -0.659 57.475 58.200 -0.111 0.000 0.992 244 S CB 0.935 64.077 63.200 -0.097 0.000 0.935 244 S HN 0.423 nan 8.310 nan 0.000 0.564 245 W N 1.758 122.592 121.300 -0.777 0.000 2.332 245 W HA -0.131 4.530 4.660 0.002 0.000 0.321 245 W C 1.904 178.166 176.519 -0.427 0.000 1.219 245 W CA 1.563 58.321 57.345 -0.979 0.000 1.277 245 W CB -0.771 28.203 29.460 -0.811 0.000 1.161 245 W HN 0.660 nan 8.180 nan 0.000 0.476 246 L N 1.346 122.271 121.223 -0.497 0.000 2.046 246 L HA 0.061 4.402 4.340 0.002 0.000 0.208 246 L C 2.501 179.114 176.870 -0.428 0.000 1.077 246 L CA 2.660 57.082 54.840 -0.696 0.000 0.747 246 L CB -1.490 40.301 42.059 -0.447 0.000 0.896 246 L HN 0.151 nan 8.230 nan 0.000 0.432 247 G N -1.334 107.295 108.800 -0.285 0.000 2.418 247 G HA2 -0.308 3.654 3.960 0.002 0.000 0.217 247 G HA3 -0.308 3.654 3.960 0.002 0.000 0.217 247 G C 1.625 176.412 174.900 -0.189 0.000 1.158 247 G CA 1.073 46.060 45.100 -0.189 0.000 0.771 247 G HN 0.576 nan 8.290 nan 0.000 0.545 248 S N -0.528 115.040 115.700 -0.220 0.000 2.423 248 S HA -0.140 4.331 4.470 0.002 0.000 0.231 248 S C 2.123 176.618 174.600 -0.175 0.000 1.014 248 S CA 1.314 59.418 58.200 -0.159 0.000 0.965 248 S CB -0.543 62.597 63.200 -0.101 0.000 0.785 248 S HN 0.494 nan 8.310 nan 0.000 0.495 249 Y N 2.403 122.445 120.300 -0.430 0.000 2.133 249 Y HA -0.006 4.545 4.550 0.002 0.000 0.287 249 Y C 2.351 178.090 175.900 -0.268 0.000 1.134 249 Y CA 1.362 59.217 58.100 -0.409 0.000 1.133 249 Y CB -0.675 37.353 38.460 -0.719 0.000 0.987 249 Y HN 0.119 nan 8.280 nan 0.000 0.502 250 V N 0.999 120.723 119.914 -0.317 0.000 2.343 250 V HA -0.275 3.846 4.120 0.002 0.000 0.247 250 V C 2.380 178.321 176.094 -0.255 0.000 1.051 250 V CA 2.243 64.357 62.300 -0.309 0.000 1.036 250 V CB -0.711 31.016 31.823 -0.159 0.000 0.654 250 V HN 0.312 nan 8.190 nan 0.000 0.451 251 K N 0.540 120.825 120.400 -0.191 0.000 2.032 251 K HA -0.238 4.084 4.320 0.002 0.000 0.209 251 K C 2.212 178.727 176.600 -0.142 0.000 1.048 251 K CA 1.923 58.127 56.287 -0.138 0.000 0.927 251 K CB -0.560 31.879 32.500 -0.103 0.000 0.712 251 K HN 0.496 nan 8.250 nan 0.000 0.441 252 Q N 0.035 119.736 119.800 -0.164 0.000 2.061 252 Q HA -0.159 4.182 4.340 0.002 0.000 0.204 252 Q C 2.067 177.981 176.000 -0.142 0.000 0.984 252 Q CA 1.938 57.663 55.803 -0.130 0.000 0.846 252 Q CB -0.136 28.540 28.738 -0.102 0.000 0.902 252 Q HN 0.416 nan 8.270 nan 0.000 0.421 253 L N 0.135 121.201 121.223 -0.261 0.000 2.046 253 L HA -0.237 4.104 4.340 0.002 0.000 0.208 253 L C 2.571 179.346 176.870 -0.158 0.000 1.077 253 L CA 1.389 56.081 54.840 -0.247 0.000 0.747 253 L CB -0.491 41.322 42.059 -0.409 0.000 0.896 253 L HN 0.332 nan 8.230 nan 0.000 0.432 254 Q N -0.138 119.571 119.800 -0.151 0.000 2.084 254 Q HA -0.202 4.140 4.340 0.002 0.000 0.202 254 Q C 1.767 177.720 176.000 -0.078 0.000 0.978 254 Q CA 1.540 57.280 55.803 -0.105 0.000 0.844 254 Q CB -0.057 28.623 28.738 -0.097 0.000 0.898 254 Q HN 0.448 nan 8.270 nan 0.000 0.426 255 D N 0.576 120.932 120.400 -0.075 0.000 2.264 255 D HA -0.111 4.530 4.640 0.002 0.000 0.208 255 D C 0.823 177.097 176.300 -0.044 0.000 0.966 255 D CA 0.919 54.887 54.000 -0.054 0.000 0.864 255 D CB 0.016 40.786 40.800 -0.050 0.000 0.933 255 D HN 0.333 nan 8.370 nan 0.000 0.499 256 E N -0.464 119.709 120.200 -0.045 0.000 2.489 256 E HA 0.202 4.553 4.350 0.002 0.000 0.193 256 E C 1.102 177.683 176.600 -0.031 0.000 1.057 256 E CA 0.219 56.602 56.400 -0.027 0.000 0.866 256 E CB 0.307 30.008 29.700 0.000 0.000 0.916 256 E HN 0.230 nan 8.360 nan 0.000 0.500 257 G N 1.705 110.479 108.800 -0.043 0.000 2.148 257 G HA2 -0.302 3.659 3.960 0.002 0.000 0.254 257 G HA3 -0.302 3.659 3.960 0.002 0.000 0.254 257 G C 0.219 175.088 174.900 -0.051 0.000 0.981 257 G CA -0.109 44.966 45.100 -0.042 0.000 0.670 257 G HN 0.240 nan 8.290 nan 0.000 0.528 258 I N 2.225 122.755 120.570 -0.067 0.000 2.496 258 I HA 0.270 4.442 4.170 0.002 0.000 0.285 258 I C 0.882 176.945 176.117 -0.090 0.000 1.080 258 I CA -0.354 60.895 61.300 -0.084 0.000 1.404 258 I CB 0.577 38.507 38.000 -0.117 0.000 1.403 258 I HN 0.368 nan 8.210 nan 0.000 0.539 259 D N 5.538 125.887 120.400 -0.085 0.000 2.371 259 D HA 0.152 4.794 4.640 0.002 0.000 0.242 259 D C 1.021 177.264 176.300 -0.095 0.000 1.218 259 D CA -0.308 53.644 54.000 -0.080 0.000 0.945 259 D CB 0.886 41.644 40.800 -0.071 0.000 1.137 259 D HN 0.527 nan 8.370 nan 0.000 0.464 260 A N 0.427 123.199 122.820 -0.080 0.000 1.908 260 A HA -0.265 4.056 4.320 0.002 0.000 0.218 260 A C 1.986 179.509 177.584 -0.102 0.000 1.181 260 A CA 2.206 54.197 52.037 -0.078 0.000 0.627 260 A CB -1.061 17.907 19.000 -0.053 0.000 0.818 260 A HN 0.742 nan 8.150 nan 0.000 0.445 261 E N -0.556 119.573 120.200 -0.120 0.000 2.085 261 E HA -0.191 4.161 4.350 0.002 0.000 0.194 261 E C 1.949 178.392 176.600 -0.262 0.000 0.994 261 E CA 1.747 58.038 56.400 -0.182 0.000 0.801 261 E CB -0.273 29.323 29.700 -0.173 0.000 0.743 261 E HN 0.459 nan 8.360 nan 0.000 0.453 262 M N 0.157 119.630 119.600 -0.213 0.000 2.175 262 M HA -0.089 4.392 4.480 0.002 0.000 0.264 262 M C 2.217 178.402 176.300 -0.192 0.000 1.063 262 M CA 1.492 56.659 55.300 -0.221 0.000 1.119 262 M CB -1.017 31.484 32.600 -0.166 0.000 1.377 262 M HN 0.210 nan 8.290 nan 0.000 0.415 263 Q N -0.161 119.545 119.800 -0.156 0.000 2.045 263 Q HA -0.186 4.155 4.340 0.002 0.000 0.206 263 Q C 2.209 178.163 176.000 -0.076 0.000 0.991 263 Q CA 1.607 57.337 55.803 -0.121 0.000 0.851 263 Q CB -0.279 28.395 28.738 -0.107 0.000 0.911 263 Q HN 0.461 nan 8.270 nan 0.000 0.418 264 R N 0.344 120.786 120.500 -0.097 0.000 2.103 264 R HA -0.153 4.188 4.340 0.002 0.000 0.242 264 R C 2.225 178.455 176.300 -0.117 0.000 1.142 264 R CA 1.488 57.550 56.100 -0.062 0.000 0.960 264 R CB -0.247 30.003 30.300 -0.083 0.000 0.858 264 R HN 0.272 nan 8.270 nan 0.000 0.439 265 R N -0.064 120.225 120.500 -0.352 0.000 2.119 265 R HA 0.040 4.382 4.340 0.002 0.000 0.222 265 R C 2.266 178.543 176.300 -0.038 0.000 1.088 265 R CA 0.896 56.734 56.100 -0.437 0.000 0.984 265 R CB -0.202 29.676 30.300 -0.704 0.000 0.884 265 R HN 0.171 nan 8.270 nan 0.000 0.447 266 A N 1.301 124.105 122.820 -0.027 0.000 2.019 266 A HA -0.153 4.168 4.320 0.002 0.000 0.219 266 A C 2.059 179.733 177.584 0.150 0.000 1.164 266 A CA 1.174 53.251 52.037 0.067 0.000 0.644 266 A CB -0.260 18.818 19.000 0.130 0.000 0.805 266 A HN 0.090 nan 8.150 nan 0.000 0.449 267 M N -1.061 118.663 119.600 0.206 0.000 2.108 267 M HA -0.123 4.358 4.480 0.002 0.000 0.261 267 M C 2.100 178.633 176.300 0.388 0.000 1.066 267 M CA 1.279 56.792 55.300 0.355 0.000 1.107 267 M CB -1.523 31.316 32.600 0.398 0.000 1.356 267 M HN 0.452 nan 8.290 nan 0.000 0.406 268 L N 0.583 122.002 121.223 0.326 0.000 2.093 268 L HA -0.110 4.231 4.340 0.002 0.000 0.208 268 L C 2.246 179.278 176.870 0.270 0.000 1.085 268 L CA 1.296 56.329 54.840 0.321 0.000 0.755 268 L CB -0.977 41.267 42.059 0.308 0.000 0.904 268 L HN 0.243 nan 8.230 nan 0.000 0.435 269 L N -0.636 120.551 121.223 -0.059 0.000 2.017 269 L HA -0.203 4.138 4.340 0.002 0.000 0.208 269 L C 2.320 179.200 176.870 0.017 0.000 1.073 269 L CA 1.787 56.306 54.840 -0.536 0.000 0.745 269 L CB -0.801 40.915 42.059 -0.570 0.000 0.894 269 L HN 0.324 nan 8.230 nan 0.000 0.432 270 Q N -0.718 119.161 119.800 0.133 0.000 2.297 270 Q HA -0.081 4.260 4.340 0.002 0.000 0.204 270 Q C 2.217 178.492 176.000 0.458 0.000 0.962 270 Q CA 1.139 57.081 55.803 0.232 0.000 0.879 270 Q CB -0.501 28.285 28.738 0.081 0.000 0.947 270 Q HN 0.480 nan 8.270 nan 0.000 0.462 271 L N -0.575 120.973 121.223 0.540 0.000 2.027 271 L HA -0.118 4.223 4.340 0.002 0.000 0.206 271 L C 2.012 179.121 176.870 0.398 0.000 1.074 271 L CA 1.679 56.750 54.840 0.386 0.000 0.745 271 L CB -0.682 41.482 42.059 0.174 0.000 0.898 271 L HN 0.309 nan 8.230 nan 0.000 0.433 272 W N -0.774 120.829 121.300 0.505 0.000 2.381 272 W HA -0.159 4.502 4.660 0.002 0.000 0.301 272 W C 2.260 179.043 176.519 0.440 0.000 1.205 272 W CA 2.005 59.758 57.345 0.681 0.000 1.285 272 W CB -0.441 29.568 29.460 0.915 0.000 1.133 272 W HN -0.058 nan 8.180 nan 0.000 0.521 273 V N 0.898 120.924 119.914 0.187 0.000 2.407 273 V HA -0.322 3.800 4.120 0.002 0.000 0.248 273 V C 2.439 178.413 176.094 -0.200 0.000 1.055 273 V CA 2.717 64.933 62.300 -0.140 0.000 1.049 273 V CB -1.376 30.478 31.823 0.051 0.000 0.662 273 V HN 0.501 nan 8.190 nan 0.000 0.455 274 T N -3.962 110.561 114.554 -0.052 0.000 3.037 274 T HA 0.022 4.373 4.350 0.002 0.000 0.252 274 T C 1.439 176.134 174.700 -0.008 0.000 1.073 274 T CA 0.207 62.255 62.100 -0.087 0.000 1.091 274 T CB 0.228 69.071 68.868 -0.042 0.000 0.935 274 T HN 0.384 nan 8.240 nan 0.000 0.488 275 Q N 0.351 120.172 119.800 0.035 0.000 2.189 275 Q HA 0.389 4.730 4.340 0.002 0.000 0.223 275 Q C 1.903 178.084 176.000 0.302 0.000 0.828 275 Q CA 0.469 56.335 55.803 0.106 0.000 0.967 275 Q CB 0.476 29.173 28.738 -0.068 0.000 1.139 275 Q HN 0.609 nan 8.270 nan 0.000 0.497 276 G N 0.558 109.478 108.800 0.200 0.000 2.985 276 G HA2 -0.057 3.905 3.960 0.002 0.000 0.209 276 G HA3 -0.057 3.905 3.960 0.002 0.000 0.209 276 G C 0.995 175.990 174.900 0.159 0.000 1.165 276 G CA 0.100 45.416 45.100 0.360 0.000 0.776 276 G HN 0.132 nan 8.290 nan 0.000 0.541 277 N N -0.192 118.533 118.700 0.041 0.000 2.486 277 N HA 0.103 4.844 4.740 0.002 0.000 0.242 277 N C 2.309 177.839 175.510 0.032 0.000 1.083 277 N CA 0.612 53.686 53.050 0.041 0.000 0.844 277 N CB -0.161 38.352 38.487 0.043 0.000 1.527 277 N HN 0.125 nan 8.380 nan 0.000 0.462 278 A N 0.925 123.763 122.820 0.031 0.000 1.877 278 A HA 0.027 4.348 4.320 0.002 0.000 0.216 278 A C 2.184 179.783 177.584 0.024 0.000 1.186 278 A CA 2.233 54.298 52.037 0.048 0.000 0.620 278 A CB -1.276 17.740 19.000 0.025 0.000 0.822 278 A HN 0.316 nan 8.150 nan 0.000 0.443 279 G N 0.014 108.782 108.800 -0.053 0.000 2.459 279 G HA2 -0.150 3.811 3.960 0.002 0.000 0.217 279 G HA3 -0.150 3.811 3.960 0.002 0.000 0.217 279 G C -0.212 174.616 174.900 -0.119 0.000 1.183 279 G CA 1.288 46.329 45.100 -0.098 0.000 0.776 279 G HN 0.485 nan 8.290 nan 0.000 0.552 280 P HA -0.125 nan 4.420 nan 0.000 0.215 280 P C 2.253 179.754 177.300 0.335 0.000 1.157 280 P CA 2.226 65.408 63.100 0.137 0.000 0.874 280 P CB -0.186 31.603 31.700 0.148 0.000 0.790 281 A N -0.097 122.887 122.820 0.273 0.000 1.908 281 A HA -0.163 4.158 4.320 0.002 0.000 0.218 281 A C 2.343 180.089 177.584 0.269 0.000 1.181 281 A CA 2.299 54.527 52.037 0.318 0.000 0.627 281 A CB -1.675 17.455 19.000 0.216 0.000 0.818 281 A HN 0.204 nan 8.150 nan 0.000 0.445 282 A N -1.062 121.876 122.820 0.196 0.000 1.972 282 A HA -0.023 4.298 4.320 0.002 0.000 0.219 282 A C 2.001 179.669 177.584 0.140 0.000 1.169 282 A CA 1.611 53.747 52.037 0.165 0.000 0.635 282 A CB -0.720 18.351 19.000 0.119 0.000 0.810 282 A HN 0.849 nan 8.150 nan 0.000 0.446 283 F N -0.649 119.299 119.950 -0.003 0.000 2.075 283 F HA -0.177 4.351 4.527 0.002 0.000 0.297 283 F C 1.942 177.653 175.800 -0.148 0.000 1.113 283 F CA 1.673 59.614 58.000 -0.098 0.000 1.218 283 F CB -0.738 38.198 39.000 -0.107 0.000 0.984 283 F HN 0.358 nan 8.300 nan 0.000 0.472 284 W N 0.366 121.422 121.300 -0.407 0.000 2.355 284 W HA -0.154 4.508 4.660 0.003 0.000 0.309 284 W C 2.506 178.745 176.519 -0.467 0.000 1.206 284 W CA 1.537 58.466 57.345 -0.692 0.000 1.284 284 W CB -1.057 28.256 29.460 -0.245 0.000 1.145 284 W HN -0.161 nan 8.180 nan 0.000 0.502 285 V N 0.473 120.435 119.914 0.080 0.000 2.252 285 V HA -0.397 3.724 4.120 0.002 0.000 0.249 285 V C 2.272 178.366 176.094 -0.000 0.000 1.056 285 V CA 1.871 64.241 62.300 0.117 0.000 1.022 285 V CB -0.788 31.163 31.823 0.212 0.000 0.641 285 V HN 0.163 nan 8.190 nan 0.000 0.445 286 M N 0.007 119.571 119.600 -0.061 0.000 2.132 286 M HA -0.045 4.437 4.480 0.002 0.000 0.263 286 M C 2.365 178.553 176.300 -0.186 0.000 1.065 286 M CA 1.957 57.215 55.300 -0.071 0.000 1.122 286 M CB -1.884 30.694 32.600 -0.038 0.000 1.365 286 M HN 0.458 nan 8.290 nan 0.000 0.411 287 G N -0.556 107.975 108.800 -0.449 0.000 2.491 287 G HA2 -0.258 3.703 3.960 0.002 0.000 0.218 287 G HA3 -0.258 3.703 3.960 0.002 0.000 0.218 287 G C 1.301 175.981 174.900 -0.367 0.000 1.180 287 G CA 0.856 45.623 45.100 -0.555 0.000 0.774 287 G HN 0.334 nan 8.290 nan 0.000 0.562 288 Y N 0.733 120.812 120.300 -0.368 0.000 2.200 288 Y HA 0.055 4.607 4.550 0.002 0.000 0.290 288 Y C 2.853 178.523 175.900 -0.383 0.000 1.137 288 Y CA 0.542 58.253 58.100 -0.648 0.000 1.163 288 Y CB -0.587 36.880 38.460 -1.656 0.000 0.988 288 Y HN 0.077 nan 8.280 nan 0.000 0.518 289 L N -0.886 120.293 121.223 -0.072 0.000 2.017 289 L HA -0.235 4.107 4.340 0.002 0.000 0.208 289 L C 2.253 179.171 176.870 0.080 0.000 1.073 289 L CA 1.247 56.125 54.840 0.063 0.000 0.745 289 L CB -0.890 41.222 42.059 0.089 0.000 0.894 289 L HN 0.210 nan 8.230 nan 0.000 0.432 290 L N -0.207 121.037 121.223 0.035 0.000 2.265 290 L HA -0.170 4.171 4.340 0.002 0.000 0.215 290 L C 2.447 179.349 176.870 0.053 0.000 1.117 290 L CA 1.671 56.534 54.840 0.039 0.000 0.782 290 L CB -0.642 41.425 42.059 0.014 0.000 0.914 290 L HN 0.499 nan 8.230 nan 0.000 0.441 291 T N -5.958 108.655 114.554 0.097 0.000 3.040 291 T HA 0.046 4.398 4.350 0.002 0.000 0.250 291 T C 0.277 174.980 174.700 0.005 0.000 1.058 291 T CA -0.120 62.027 62.100 0.078 0.000 0.988 291 T CB -0.094 68.842 68.868 0.113 0.000 0.993 291 T HN 0.177 nan 8.240 nan 0.000 0.519 292 H N 1.478 120.598 119.070 0.083 0.000 2.675 292 H HA 0.402 4.959 4.556 0.002 0.000 0.258 292 H C -2.243 173.129 175.328 0.073 0.000 1.271 292 H CA -2.128 54.001 56.048 0.135 0.000 1.462 292 H CB 1.523 31.461 29.762 0.294 0.000 1.467 292 H HN 0.057 nan 8.280 nan 0.000 0.501 293 P HA -0.177 nan 4.420 nan 0.000 0.218 293 P C 1.532 178.843 177.300 0.018 0.000 1.148 293 P CA 0.958 64.090 63.100 0.053 0.000 0.822 293 P CB 0.663 32.384 31.700 0.035 0.000 0.784 294 E N 0.059 120.271 120.200 0.021 0.000 2.072 294 E HA -0.123 4.228 4.350 0.002 0.000 0.191 294 E C 1.987 178.379 176.600 -0.348 0.000 0.985 294 E CA 1.377 57.741 56.400 -0.060 0.000 0.801 294 E CB -1.061 28.670 29.700 0.051 0.000 0.750 294 E HN 0.053 nan 8.360 nan 0.000 0.452 295 A N 0.457 123.022 122.820 -0.425 0.000 1.877 295 A HA -0.144 4.177 4.320 0.002 0.000 0.216 295 A C 2.192 179.619 177.584 -0.262 0.000 1.186 295 A CA 1.510 53.122 52.037 -0.709 0.000 0.620 295 A CB -0.857 18.102 19.000 -0.069 0.000 0.822 295 A HN 0.382 nan 8.150 nan 0.000 0.443 296 L N -0.222 120.965 121.223 -0.059 0.000 2.079 296 L HA -0.142 4.199 4.340 0.002 0.000 0.210 296 L C 2.429 179.293 176.870 -0.010 0.000 1.081 296 L CA 2.314 57.159 54.840 0.008 0.000 0.752 296 L CB -0.541 41.543 42.059 0.042 0.000 0.896 296 L HN 0.465 nan 8.230 nan 0.000 0.433 297 R N -0.767 119.707 120.500 -0.043 0.000 2.062 297 R HA -0.136 4.205 4.340 0.002 0.000 0.231 297 R C 2.210 178.501 176.300 -0.014 0.000 1.136 297 R CA 1.427 57.515 56.100 -0.020 0.000 0.948 297 R CB -0.486 29.803 30.300 -0.018 0.000 0.845 297 R HN 0.479 nan 8.270 nan 0.000 0.430 298 A N 0.144 122.921 122.820 -0.072 0.000 1.978 298 A HA -0.112 4.209 4.320 0.002 0.000 0.220 298 A C 2.222 179.847 177.584 0.069 0.000 1.170 298 A CA 1.564 53.600 52.037 -0.001 0.000 0.636 298 A CB -0.415 18.563 19.000 -0.037 0.000 0.810 298 A HN 0.253 nan 8.150 nan 0.000 0.448 299 V N -0.272 119.678 119.914 0.061 0.000 2.283 299 V HA -0.212 3.909 4.120 0.002 0.000 0.243 299 V C 2.617 178.777 176.094 0.111 0.000 1.039 299 V CA 2.019 64.407 62.300 0.147 0.000 1.016 299 V CB -0.739 31.206 31.823 0.202 0.000 0.650 299 V HN 0.518 nan 8.190 nan 0.000 0.449 300 R N -0.111 120.431 120.500 0.069 0.000 2.083 300 R HA -0.201 4.141 4.340 0.002 0.000 0.237 300 R C 2.314 178.644 176.300 0.051 0.000 1.137 300 R CA 1.875 58.003 56.100 0.047 0.000 0.951 300 R CB -0.379 29.939 30.300 0.029 0.000 0.851 300 R HN 0.630 nan 8.270 nan 0.000 0.434 301 E N 0.455 120.687 120.200 0.054 0.000 2.049 301 E HA -0.256 4.096 4.350 0.002 0.000 0.198 301 E C 1.978 178.623 176.600 0.074 0.000 1.007 301 E CA 1.269 57.704 56.400 0.058 0.000 0.809 301 E CB -0.116 29.619 29.700 0.059 0.000 0.749 301 E HN 0.379 nan 8.360 nan 0.000 0.450 302 E N 0.748 121.005 120.200 0.095 0.000 2.160 302 E HA -0.195 4.157 4.350 0.002 0.000 0.195 302 E C 1.667 178.332 176.600 0.108 0.000 0.991 302 E CA 0.625 57.091 56.400 0.110 0.000 0.810 302 E CB -0.087 29.700 29.700 0.146 0.000 0.742 302 E HN 0.264 nan 8.360 nan 0.000 0.466 303 I N 1.173 121.810 120.570 0.113 0.000 3.434 303 I HA -0.163 4.008 4.170 0.002 0.000 0.308 303 I C 0.588 176.787 176.117 0.137 0.000 1.269 303 I CA 0.605 61.993 61.300 0.147 0.000 1.265 303 I CB -0.169 37.905 38.000 0.122 0.000 1.005 303 I HN 0.152 nan 8.210 nan 0.000 0.554 318 T N 1.356 115.975 114.554 0.108 0.000 3.209 318 T HA 0.399 4.750 4.350 0.002 0.000 0.366 318 T C -2.391 172.426 174.700 0.195 0.000 1.293 318 T CA -1.370 60.825 62.100 0.160 0.000 1.417 318 T CB 1.657 70.645 68.868 0.200 0.000 1.013 318 T HN 0.084 nan 8.240 nan 0.000 0.572 319 P HA -0.041 nan 4.420 nan 0.000 0.218 319 P C 1.701 179.097 177.300 0.160 0.000 1.149 319 P CA 0.351 63.527 63.100 0.127 0.000 0.817 319 P CB 0.110 31.868 31.700 0.097 0.000 0.785 320 V N -0.526 119.511 119.914 0.206 0.000 2.244 320 V HA -0.219 3.902 4.120 0.002 0.000 0.244 320 V C 2.237 178.504 176.094 0.288 0.000 1.042 320 V CA 1.730 64.186 62.300 0.261 0.000 1.006 320 V CB -1.522 30.473 31.823 0.287 0.000 0.641 320 V HN -0.007 nan 8.190 nan 0.000 0.446 321 F N 1.789 121.852 119.950 0.188 0.000 2.161 321 F HA -0.228 4.301 4.527 0.002 0.000 0.300 321 F C 2.070 177.990 175.800 0.200 0.000 1.089 321 F CA 2.026 60.144 58.000 0.196 0.000 1.282 321 F CB -0.467 38.634 39.000 0.168 0.000 1.010 321 F HN 0.209 nan 8.300 nan 0.000 0.485 322 D N -0.413 120.065 120.400 0.130 0.000 2.133 322 D HA -0.220 4.421 4.640 0.002 0.000 0.195 322 D C 2.539 178.831 176.300 -0.013 0.000 0.997 322 D CA 1.676 55.698 54.000 0.037 0.000 0.840 322 D CB -0.691 40.161 40.800 0.087 0.000 0.947 322 D HN 0.347 nan 8.370 nan 0.000 0.452 323 S N -0.572 115.163 115.700 0.059 0.000 2.383 323 S HA -0.089 4.382 4.470 0.002 0.000 0.227 323 S C 2.053 176.727 174.600 0.123 0.000 1.026 323 S CA 0.681 58.960 58.200 0.132 0.000 0.981 323 S CB -0.166 63.129 63.200 0.158 0.000 0.818 323 S HN 0.049 nan 8.310 nan 0.000 0.472 324 V N 1.834 121.785 119.914 0.060 0.000 2.358 324 V HA -0.078 4.044 4.120 0.002 0.000 0.246 324 V C 2.402 178.511 176.094 0.025 0.000 1.047 324 V CA 1.660 64.027 62.300 0.112 0.000 1.035 324 V CB -0.631 31.291 31.823 0.165 0.000 0.658 324 V HN 0.487 nan 8.190 nan 0.000 0.452 325 L N -0.703 120.373 121.223 -0.246 0.000 2.027 325 L HA -0.126 4.216 4.340 0.002 0.000 0.206 325 L C 2.130 178.998 176.870 -0.003 0.000 1.074 325 L CA 2.008 56.750 54.840 -0.164 0.000 0.745 325 L CB -0.811 41.091 42.059 -0.261 0.000 0.898 325 L HN 0.438 nan 8.230 nan 0.000 0.433 326 W N 0.318 121.473 121.300 -0.242 0.000 2.363 326 W HA -0.251 4.410 4.660 0.001 0.000 0.296 326 W C 2.383 178.716 176.519 -0.309 0.000 1.212 326 W CA 1.559 58.668 57.345 -0.394 0.000 1.260 326 W CB 0.146 29.197 29.460 -0.682 0.000 1.131 326 W HN 0.373 nan 8.180 nan 0.000 0.530 327 E N -0.082 120.142 120.200 0.040 0.000 2.051 327 E HA -0.179 4.172 4.350 0.002 0.000 0.192 327 E C 1.991 178.577 176.600 -0.023 0.000 0.991 327 E CA 2.630 59.054 56.400 0.039 0.000 0.799 327 E CB -0.656 28.985 29.700 -0.100 0.000 0.748 327 E HN -0.090 nan 8.360 nan 0.000 0.449 328 T N 0.957 115.572 114.554 0.103 0.000 2.720 328 T HA -0.131 4.220 4.350 0.002 0.000 0.268 328 T C 1.752 176.431 174.700 -0.035 0.000 1.037 328 T CA 1.407 63.603 62.100 0.160 0.000 1.144 328 T CB -0.230 68.789 68.868 0.252 0.000 0.864 328 T HN 0.143 nan 8.240 nan 0.000 0.444 329 L N 0.243 121.340 121.223 -0.210 0.000 2.156 329 L HA 0.023 4.365 4.340 0.002 0.000 0.208 329 L C 2.868 179.481 176.870 -0.427 0.000 1.095 329 L CA 0.949 55.549 54.840 -0.399 0.000 0.770 329 L CB -0.473 41.154 42.059 -0.720 0.000 0.914 329 L HN 0.164 nan 8.230 nan 0.000 0.439 330 R N 0.764 121.002 120.500 -0.437 0.000 2.083 330 R HA -0.172 4.169 4.340 0.002 0.000 0.237 330 R C 2.236 178.410 176.300 -0.211 0.000 1.137 330 R CA 1.490 57.372 56.100 -0.364 0.000 0.951 330 R CB -0.169 29.932 30.300 -0.332 0.000 0.851 330 R HN 0.310 nan 8.270 nan 0.000 0.434 331 L N -0.468 120.668 121.223 -0.145 0.000 2.313 331 L HA -0.041 4.300 4.340 0.002 0.000 0.214 331 L C 1.856 178.751 176.870 0.042 0.000 1.119 331 L CA 1.518 56.330 54.840 -0.047 0.000 0.809 331 L CB 0.138 42.158 42.059 -0.066 0.000 0.933 331 L HN 0.425 nan 8.230 nan 0.000 0.449 332 T N -5.332 109.168 114.554 -0.091 0.000 3.041 332 T HA 0.330 4.682 4.350 0.002 0.000 0.276 332 T C 0.605 175.219 174.700 -0.143 0.000 0.948 332 T CA 0.173 62.122 62.100 -0.252 0.000 0.885 332 T CB 0.288 68.800 68.868 -0.594 0.000 1.175 332 T HN 0.041 nan 8.240 nan 0.000 0.529 333 A N 1.387 124.145 122.820 -0.103 0.000 2.415 333 A HA 0.805 5.126 4.320 0.002 0.000 0.309 333 A C 0.659 178.239 177.584 -0.006 0.000 1.356 333 A CA -0.286 51.688 52.037 -0.105 0.000 0.998 333 A CB -0.541 18.297 19.000 -0.271 0.000 1.145 333 A HN 0.827 nan 8.150 nan 0.000 0.545 334 A N 2.756 125.585 122.820 0.014 0.000 3.214 334 A HA 0.634 4.955 4.320 0.002 0.000 0.304 334 A C 0.594 178.359 177.584 0.302 0.000 0.969 334 A CA 0.252 52.352 52.037 0.104 0.000 0.986 334 A CB -0.415 18.478 19.000 -0.179 0.000 1.073 334 A HN 1.586 nan 8.150 nan 0.000 0.487 335 A N 0.403 123.367 122.820 0.240 0.000 2.409 335 A HA 0.532 4.853 4.320 0.002 0.000 0.262 335 A C -0.139 177.588 177.584 0.239 0.000 1.113 335 A CA -0.190 51.964 52.037 0.194 0.000 0.790 335 A CB 0.066 19.143 19.000 0.129 0.000 1.046 335 A HN 1.052 nan 8.150 nan 0.000 0.496 336 L N 4.831 126.046 121.223 -0.013 0.000 2.315 336 L HA 0.374 4.715 4.340 0.002 0.000 0.278 336 L C -0.277 176.536 176.870 -0.094 0.000 1.088 336 L CA -0.196 54.513 54.840 -0.218 0.000 0.899 336 L CB -0.281 41.456 42.059 -0.536 0.000 1.277 336 L HN 0.579 nan 8.230 nan 0.000 0.431 337 I N 4.119 124.673 120.570 -0.027 0.000 2.671 337 I HA 0.031 4.202 4.170 0.002 0.000 0.285 337 I C 0.321 176.415 176.117 -0.040 0.000 1.148 337 I CA 0.700 61.989 61.300 -0.019 0.000 1.386 337 I CB -0.172 37.805 38.000 -0.038 0.000 1.406 337 I HN 0.526 nan 8.210 nan 0.000 0.540 338 T N 6.904 121.462 114.554 0.006 0.000 2.863 338 T HA 0.632 4.983 4.350 0.002 0.000 0.285 338 T C -0.259 174.454 174.700 0.021 0.000 1.009 338 T CA -0.933 61.158 62.100 -0.014 0.000 0.989 338 T CB 1.575 70.434 68.868 -0.015 0.000 1.004 338 T HN 0.398 nan 8.240 nan 0.000 0.455 339 R N 1.851 122.332 120.500 -0.032 0.000 2.626 339 R HA 0.375 4.716 4.340 0.002 0.000 0.274 339 R C -1.562 174.714 176.300 -0.041 0.000 1.031 339 R CA -0.865 55.233 56.100 -0.003 0.000 0.898 339 R CB 1.684 31.989 30.300 0.008 0.000 1.222 339 R HN 0.597 nan 8.270 nan 0.000 0.455 340 D N 1.623 122.015 120.400 -0.013 0.000 2.308 340 D HA 0.147 4.788 4.640 0.002 0.000 0.251 340 D C 0.014 176.318 176.300 0.006 0.000 1.127 340 D CA -0.219 53.772 54.000 -0.016 0.000 0.876 340 D CB 1.832 42.636 40.800 0.006 0.000 1.176 340 D HN 0.068 nan 8.370 nan 0.000 0.446 341 V N 2.833 122.750 119.914 0.005 0.000 2.405 341 V HA 0.047 4.168 4.120 0.002 0.000 0.264 341 V C 1.747 177.856 176.094 0.025 0.000 1.048 341 V CA -0.008 62.302 62.300 0.018 0.000 0.966 341 V CB 0.552 32.388 31.823 0.020 0.000 1.015 341 V HN 0.693 nan 8.190 nan 0.000 0.477 342 T N 1.086 115.657 114.554 0.029 0.000 3.057 342 T HA 0.120 4.472 4.350 0.002 0.000 0.254 342 T C 0.451 175.170 174.700 0.032 0.000 1.094 342 T CA 0.194 62.313 62.100 0.032 0.000 1.088 342 T CB 0.044 68.933 68.868 0.033 0.000 0.934 342 T HN 0.783 nan 8.240 nan 0.000 0.497 343 Q N 0.256 120.076 119.800 0.033 0.000 2.391 343 Q HA 0.408 4.749 4.340 0.002 0.000 0.279 343 Q C -2.102 173.923 176.000 0.042 0.000 1.028 343 Q CA -1.089 54.735 55.803 0.035 0.000 0.836 343 Q CB 0.859 29.617 28.738 0.034 0.000 1.414 343 Q HN -0.085 nan 8.270 nan 0.000 0.397 344 D N 1.978 122.406 120.400 0.047 0.000 2.629 344 D HA 0.020 4.662 4.640 0.002 0.000 0.228 344 D C -0.765 175.581 176.300 0.076 0.000 1.127 344 D CA 1.064 55.104 54.000 0.067 0.000 0.855 344 D CB 0.515 41.357 40.800 0.069 0.000 1.180 344 D HN 0.397 nan 8.370 nan 0.000 0.484 345 K N 1.669 122.121 120.400 0.088 0.000 2.482 345 K HA 0.252 4.573 4.320 0.002 0.000 0.251 345 K C -0.899 175.721 176.600 0.033 0.000 0.936 345 K CA -0.804 55.520 56.287 0.060 0.000 0.791 345 K CB 1.527 34.051 32.500 0.040 0.000 1.213 345 K HN 0.177 nan 8.250 nan 0.000 0.428 346 K N 4.715 125.103 120.400 -0.020 0.000 2.234 346 K HA 0.406 4.727 4.320 0.002 0.000 0.282 346 K C -0.915 175.627 176.600 -0.096 0.000 1.039 346 K CA -0.391 55.784 56.287 -0.186 0.000 0.928 346 K CB 0.699 33.095 32.500 -0.173 0.000 1.039 346 K HN 0.536 nan 8.250 nan 0.000 0.470 347 I N 2.838 123.352 120.570 -0.094 0.000 2.769 347 I HA 0.260 4.432 4.170 0.002 0.000 0.298 347 I C -1.177 174.965 176.117 0.043 0.000 1.128 347 I CA -0.919 60.382 61.300 0.001 0.000 1.031 347 I CB 2.188 40.209 38.000 0.035 0.000 1.235 347 I HN 0.641 nan 8.210 nan 0.000 0.423 348 C N 6.851 126.183 119.300 0.054 0.000 2.396 348 C HA 0.585 5.047 4.460 0.002 0.000 0.321 348 C C -0.078 174.964 174.990 0.086 0.000 1.233 348 C CA -0.560 58.496 59.018 0.064 0.000 1.440 348 C CB 0.234 27.987 27.740 0.021 0.000 2.110 348 C HN 0.587 nan 8.230 nan 0.000 0.473 349 L N 4.487 125.789 121.223 0.133 0.000 2.479 349 L HA 0.324 4.665 4.340 0.002 0.000 0.249 349 L C 1.765 178.668 176.870 0.055 0.000 1.178 349 L CA -0.120 54.778 54.840 0.097 0.000 0.811 349 L CB 0.968 43.114 42.059 0.146 0.000 1.187 349 L HN 0.903 nan 8.230 nan 0.000 0.480 350 S N -0.075 115.641 115.700 0.027 0.000 2.419 350 S HA -0.179 4.292 4.470 0.002 0.000 0.235 350 S C 1.209 175.822 174.600 0.021 0.000 1.019 350 S CA 1.275 59.484 58.200 0.014 0.000 0.982 350 S CB -0.652 62.545 63.200 -0.005 0.000 0.789 350 S HN 0.849 nan 8.310 nan 0.000 0.490 351 N N 1.459 120.180 118.700 0.034 0.000 2.467 351 N HA 0.211 4.952 4.740 0.002 0.000 0.184 351 N C 1.304 176.828 175.510 0.024 0.000 1.106 351 N CA 0.878 53.947 53.050 0.031 0.000 0.892 351 N CB -0.610 37.901 38.487 0.040 0.000 0.969 351 N HN 0.609 nan 8.380 nan 0.000 0.454 352 G N -0.615 108.201 108.800 0.027 0.000 2.213 352 G HA2 -0.332 3.629 3.960 0.002 0.000 0.236 352 G HA3 -0.332 3.629 3.960 0.002 0.000 0.236 352 G C -0.160 174.734 174.900 -0.011 0.000 0.991 352 G CA 0.187 45.292 45.100 0.009 0.000 0.629 352 G HN 0.655 nan 8.290 nan 0.000 0.517 353 Q N 0.733 120.529 119.800 -0.007 0.000 2.395 353 Q HA 0.472 4.814 4.340 0.002 0.000 0.271 353 Q C -0.177 175.719 176.000 -0.173 0.000 1.026 353 Q CA 0.362 56.102 55.803 -0.106 0.000 0.900 353 Q CB 0.345 29.022 28.738 -0.101 0.000 1.266 353 Q HN 0.412 nan 8.270 nan 0.000 0.430 354 E N 1.771 121.760 120.200 -0.352 0.000 2.179 354 E HA 0.378 4.730 4.350 0.002 0.000 0.275 354 E C -1.770 174.502 176.600 -0.547 0.000 0.945 354 E CA -0.306 55.915 56.400 -0.299 0.000 0.792 354 E CB 0.917 30.489 29.700 -0.213 0.000 1.125 354 E HN 0.423 nan 8.360 nan 0.000 0.397 355 Y N 0.701 120.919 120.300 -0.137 0.000 2.545 355 Y HA 0.423 4.979 4.550 0.010 0.000 0.348 355 Y C -0.689 175.073 175.900 -0.230 0.000 1.002 355 Y CA -0.931 57.111 58.100 -0.098 0.000 1.039 355 Y CB 1.738 40.179 38.460 -0.032 0.000 1.271 355 Y HN 0.521 nan 8.280 nan 0.000 0.467 356 H N 1.904 121.065 119.070 0.153 0.000 2.511 356 H HA 0.519 5.072 4.556 -0.005 0.000 0.328 356 H C -0.887 174.483 175.328 0.071 0.000 1.044 356 H CA -0.573 55.525 56.048 0.083 0.000 1.212 356 H CB 0.850 30.638 29.762 0.044 0.000 1.428 356 H HN 0.409 nan 8.280 nan 0.000 0.483 357 L N 3.694 125.000 121.223 0.139 0.000 2.375 357 L HA 0.504 4.846 4.340 0.002 0.000 0.271 357 L C 0.399 177.322 176.870 0.088 0.000 1.107 357 L CA -0.784 54.109 54.840 0.089 0.000 0.806 357 L CB 0.865 42.954 42.059 0.051 0.000 1.146 357 L HN 0.605 nan 8.230 nan 0.000 0.447 358 R N 1.373 121.908 120.500 0.058 0.000 2.514 358 R HA 0.510 4.851 4.340 0.002 0.000 0.301 358 R C -0.408 175.913 176.300 0.035 0.000 0.962 358 R CA -1.016 55.110 56.100 0.043 0.000 0.882 358 R CB 1.442 31.753 30.300 0.019 0.000 1.143 358 R HN 0.509 nan 8.270 nan 0.000 0.452 359 R N 1.104 121.624 120.500 0.033 0.000 2.500 359 R HA -0.072 4.270 4.340 0.002 0.000 0.281 359 R C 0.585 176.903 176.300 0.030 0.000 0.953 359 R CA 2.337 58.455 56.100 0.031 0.000 1.108 359 R CB -0.080 30.237 30.300 0.029 0.000 0.901 359 R HN 1.052 nan 8.270 nan 0.000 0.410 360 G N 2.752 111.571 108.800 0.032 0.000 2.234 360 G HA2 -0.238 3.724 3.960 0.002 0.000 0.235 360 G HA3 -0.238 3.724 3.960 0.002 0.000 0.235 360 G C -0.264 174.661 174.900 0.041 0.000 0.997 360 G CA 0.255 45.377 45.100 0.037 0.000 0.623 360 G HN 0.666 nan 8.290 nan 0.000 0.514 361 D N 0.467 120.892 120.400 0.042 0.000 2.383 361 D HA 0.568 5.209 4.640 0.002 0.000 0.248 361 D C 0.965 177.267 176.300 0.003 0.000 1.170 361 D CA -0.138 53.891 54.000 0.048 0.000 0.977 361 D CB 0.478 41.313 40.800 0.059 0.000 1.120 361 D HN 0.261 nan 8.370 nan 0.000 0.481 362 R N 0.241 120.728 120.500 -0.021 0.000 2.598 362 R HA 0.522 4.863 4.340 0.002 0.000 0.279 362 R C -0.718 175.553 176.300 -0.049 0.000 0.984 362 R CA -0.978 55.078 56.100 -0.074 0.000 0.999 362 R CB 1.412 31.619 30.300 -0.156 0.000 1.114 362 R HN 0.243 nan 8.270 nan 0.000 0.493 363 L N 1.849 123.036 121.223 -0.061 0.000 2.322 363 L HA 0.420 4.761 4.340 0.002 0.000 0.281 363 L C -1.249 175.576 176.870 -0.076 0.000 1.014 363 L CA -0.233 54.572 54.840 -0.058 0.000 0.815 363 L CB 1.452 43.487 42.059 -0.040 0.000 1.247 363 L HN 0.621 nan 8.230 nan 0.000 0.421 364 C N 3.791 123.043 119.300 -0.081 0.000 2.456 364 C HA 0.801 5.263 4.460 0.002 0.000 0.325 364 C C -0.290 174.634 174.990 -0.111 0.000 1.217 364 C CA -0.924 58.041 59.018 -0.088 0.000 1.687 364 C CB 1.561 29.270 27.740 -0.051 0.000 2.270 364 C HN 0.602 nan 8.230 nan 0.000 0.499 365 V N 3.014 122.845 119.914 -0.139 0.000 2.540 365 V HA 0.533 4.654 4.120 0.002 0.000 0.302 365 V C -1.063 174.966 176.094 -0.109 0.000 1.035 365 V CA -0.282 61.861 62.300 -0.263 0.000 0.873 365 V CB 1.704 33.237 31.823 -0.483 0.000 0.992 365 V HN 0.737 nan 8.190 nan 0.000 0.428 366 F N 7.963 127.771 119.950 -0.236 0.000 2.686 366 F HA 0.524 5.052 4.527 0.001 0.000 0.365 366 F C -2.110 173.723 175.800 0.056 0.000 1.196 366 F CA -2.841 55.133 58.000 -0.043 0.000 1.198 366 F CB 1.861 40.893 39.000 0.053 0.000 1.454 366 F HN 0.371 nan 8.300 nan 0.000 0.539 367 P HA -0.181 nan 4.420 nan 0.000 0.221 367 P C 1.914 179.173 177.300 -0.068 0.000 1.145 367 P CA 1.006 64.188 63.100 0.137 0.000 0.795 367 P CB -0.031 31.742 31.700 0.121 0.000 0.775 368 F N 0.436 120.120 119.950 -0.443 0.000 2.065 368 F HA -0.224 4.304 4.527 0.002 0.000 0.298 368 F C 2.007 177.526 175.800 -0.468 0.000 1.112 368 F CA 1.643 59.305 58.000 -0.564 0.000 1.212 368 F CB -0.791 37.673 39.000 -0.893 0.000 0.975 368 F HN -0.213 nan 8.300 nan 0.000 0.476 369 I N -1.169 119.066 120.570 -0.558 0.000 2.163 369 I HA -0.185 3.986 4.170 0.002 0.000 0.240 369 I C 0.848 176.821 176.117 -0.240 0.000 1.081 369 I CA 1.453 62.531 61.300 -0.369 0.000 1.353 369 I CB -0.489 37.434 38.000 -0.128 0.000 1.054 369 I HN 0.155 nan 8.210 nan 0.000 0.407 370 S N -0.303 115.338 115.700 -0.099 0.000 2.575 370 S HA 0.372 4.843 4.470 0.002 0.000 0.278 370 S C -2.151 172.474 174.600 0.041 0.000 1.139 370 S CA -1.316 56.853 58.200 -0.051 0.000 0.954 370 S CB 1.890 65.070 63.200 -0.034 0.000 1.054 370 S HN -0.137 nan 8.310 nan 0.000 0.483 371 P HA 0.057 nan 4.420 nan 0.000 0.234 371 P C 1.015 178.306 177.300 -0.015 0.000 1.175 371 P CA 0.512 63.594 63.100 -0.031 0.000 0.801 371 P CB 0.172 31.862 31.700 -0.017 0.000 0.891 372 Q N -0.407 119.332 119.800 -0.102 0.000 2.096 372 Q HA -0.091 4.250 4.340 0.002 0.000 0.208 372 Q C 1.357 177.188 176.000 -0.280 0.000 0.993 372 Q CA 1.394 57.070 55.803 -0.212 0.000 0.862 372 Q CB -0.363 28.193 28.738 -0.303 0.000 0.915 372 Q HN 0.206 nan 8.270 nan 0.000 0.416 373 M N 0.506 119.857 119.600 -0.414 0.000 2.673 373 M HA 0.175 4.656 4.480 0.002 0.000 0.334 373 M C -0.549 175.610 176.300 -0.235 0.000 1.211 373 M CA 0.005 55.050 55.300 -0.425 0.000 0.962 373 M CB 0.269 32.399 32.600 -0.784 0.000 1.343 373 M HN -0.028 nan 8.290 nan 0.000 0.511 374 D N 3.125 123.448 120.400 -0.128 0.000 2.339 374 D HA 0.192 4.833 4.640 0.002 0.000 0.241 374 D C -1.614 174.652 176.300 -0.057 0.000 1.183 374 D CA -1.614 52.332 54.000 -0.091 0.000 0.859 374 D CB 2.020 42.771 40.800 -0.082 0.000 1.067 374 D HN 0.071 nan 8.370 nan 0.000 0.484 375 P HA -0.117 nan 4.420 nan 0.000 0.225 375 P C 0.706 177.984 177.300 -0.037 0.000 1.148 375 P CA 0.855 63.931 63.100 -0.040 0.000 0.779 375 P CB 0.386 32.061 31.700 -0.042 0.000 0.780 376 Q N -1.027 118.746 119.800 -0.046 0.000 2.444 376 Q HA 0.136 4.477 4.340 0.002 0.000 0.206 376 Q C 1.796 177.765 176.000 -0.052 0.000 0.948 376 Q CA 0.533 56.312 55.803 -0.040 0.000 0.946 376 Q CB 0.048 28.766 28.738 -0.034 0.000 1.027 376 Q HN 0.391 nan 8.270 nan 0.000 0.513 377 I N -1.832 118.680 120.570 -0.098 0.000 3.570 377 I HA 0.036 4.207 4.170 0.002 0.000 0.270 377 I C 0.026 175.960 176.117 -0.305 0.000 1.162 377 I CA 0.103 61.278 61.300 -0.209 0.000 1.413 377 I CB 0.597 38.404 38.000 -0.322 0.000 1.437 377 I HN 0.060 nan 8.210 nan 0.000 0.457 378 H N 2.599 121.655 119.070 -0.024 0.000 2.638 378 H HA 0.267 4.825 4.556 0.002 0.000 0.317 378 H C -0.506 174.786 175.328 -0.060 0.000 1.006 378 H CA -0.670 55.351 56.048 -0.045 0.000 1.222 378 H CB 0.848 30.541 29.762 -0.115 0.000 1.419 378 H HN 0.157 nan 8.280 nan 0.000 0.489 379 Q N 2.744 122.569 119.800 0.043 0.000 2.332 379 Q HA 0.096 4.437 4.340 0.002 0.000 0.263 379 Q C -0.579 175.418 176.000 -0.005 0.000 0.979 379 Q CA -0.732 55.073 55.803 0.003 0.000 0.885 379 Q CB 0.875 29.605 28.738 -0.013 0.000 1.218 379 Q HN 0.682 nan 8.270 nan 0.000 0.405 380 Q N 0.998 120.790 119.800 -0.013 0.000 2.453 380 Q HA -0.163 4.178 4.340 0.002 0.000 0.350 380 Q C -1.909 174.072 176.000 -0.032 0.000 1.447 380 Q CA 0.338 56.130 55.803 -0.017 0.000 0.968 380 Q CB -0.717 28.014 28.738 -0.012 0.000 1.175 380 Q HN 0.713 nan 8.270 nan 0.000 0.354 381 P HA -0.147 nan 4.420 nan 0.000 0.225 381 P C 0.416 177.658 177.300 -0.096 0.000 1.156 381 P CA 1.008 64.059 63.100 -0.081 0.000 0.787 381 P CB 0.297 31.941 31.700 -0.094 0.000 0.802 382 E N -1.014 119.156 120.200 -0.050 0.000 2.418 382 E HA 0.020 4.371 4.350 0.002 0.000 0.197 382 E C 0.607 177.217 176.600 0.017 0.000 1.026 382 E CA 0.404 56.798 56.400 -0.010 0.000 0.862 382 E CB -0.106 29.608 29.700 0.024 0.000 0.799 382 E HN 0.257 nan 8.360 nan 0.000 0.518 383 M N 0.541 120.140 119.600 -0.002 0.000 2.264 383 M HA 0.193 4.674 4.480 0.002 0.000 0.352 383 M C -0.295 175.982 176.300 -0.039 0.000 1.173 383 M CA -0.708 54.613 55.300 0.035 0.000 1.075 383 M CB 0.555 33.180 32.600 0.041 0.000 1.621 383 M HN -0.113 nan 8.290 nan 0.000 0.457 384 F N 4.191 124.016 119.950 -0.208 0.000 2.438 384 F HA 0.245 4.773 4.527 0.002 0.000 0.360 384 F C -0.378 175.272 175.800 -0.251 0.000 1.118 384 F CA 0.021 57.746 58.000 -0.457 0.000 1.164 384 F CB 0.445 38.847 39.000 -0.997 0.000 1.131 384 F HN 0.488 nan 8.300 nan 0.000 0.527 385 Q N 7.673 127.046 119.800 -0.713 0.000 2.363 385 Q HA 0.148 4.490 4.340 0.002 0.000 0.265 385 Q C 0.440 176.013 176.000 -0.713 0.000 1.032 385 Q CA -0.675 54.820 55.803 -0.514 0.000 0.746 385 Q CB 1.098 29.659 28.738 -0.295 0.000 1.237 385 Q HN 0.868 nan 8.270 nan 0.000 0.475 386 F N 1.816 121.308 119.950 -0.764 0.000 2.202 386 F HA -0.163 4.365 4.527 0.002 0.000 0.301 386 F C 1.164 176.844 175.800 -0.200 0.000 1.082 386 F CA 1.516 59.198 58.000 -0.530 0.000 1.313 386 F CB -0.162 38.742 39.000 -0.160 0.000 1.024 386 F HN 0.445 nan 8.300 nan 0.000 0.495 387 D N 0.096 119.856 120.400 -1.068 0.000 2.339 387 D HA -0.038 4.604 4.640 0.002 0.000 0.217 387 D C 1.956 178.038 176.300 -0.363 0.000 1.050 387 D CA -0.021 53.533 54.000 -0.743 0.000 0.856 387 D CB -0.824 39.405 40.800 -0.952 0.000 0.922 387 D HN 0.408 nan 8.370 nan 0.000 0.518 388 R N -0.253 120.036 120.500 -0.351 0.000 2.204 388 R HA -0.164 4.178 4.340 0.002 0.000 0.253 388 R C 0.349 176.377 176.300 -0.453 0.000 1.172 388 R CA 1.212 57.069 56.100 -0.405 0.000 0.994 388 R CB -0.264 29.714 30.300 -0.536 0.000 0.874 388 R HN 0.227 nan 8.270 nan 0.000 0.462 389 F N -0.343 119.620 119.950 0.022 0.000 2.668 389 F HA 0.291 4.819 4.527 0.002 0.000 0.301 389 F C -0.291 175.520 175.800 0.017 0.000 1.106 389 F CA -0.389 57.676 58.000 0.107 0.000 1.289 389 F CB 0.631 39.697 39.000 0.111 0.000 1.006 389 F HN -0.167 nan 8.300 nan 0.000 0.535 390 L N 0.631 121.878 121.223 0.041 0.000 2.322 390 L HA 0.405 4.746 4.340 0.002 0.000 0.281 390 L C 0.091 176.928 176.870 -0.055 0.000 1.014 390 L CA -0.772 54.065 54.840 -0.006 0.000 0.815 390 L CB 0.991 43.024 42.059 -0.043 0.000 1.247 390 L HN 0.009 nan 8.230 nan 0.000 0.421 391 N N 0.935 119.615 118.700 -0.034 0.000 2.327 391 N HA 0.357 5.099 4.740 0.002 0.000 0.257 391 N C 0.160 175.644 175.510 -0.043 0.000 1.281 391 N CA -0.197 52.822 53.050 -0.051 0.000 0.942 391 N CB 0.911 39.376 38.487 -0.036 0.000 1.199 391 N HN 0.716 nan 8.380 nan 0.000 0.532 396 E N 2.217 122.433 120.200 0.028 0.000 2.376 396 E HA 0.149 4.500 4.350 0.002 0.000 0.266 396 E C -0.217 176.418 176.600 0.059 0.000 1.009 396 E CA -0.265 56.162 56.400 0.045 0.000 0.902 396 E CB 0.596 30.305 29.700 0.014 0.000 0.972 396 E HN 0.390 nan 8.360 nan 0.000 0.439 397 K N 4.413 124.878 120.400 0.108 0.000 2.276 397 K HA 0.106 4.427 4.320 0.002 0.000 0.285 397 K C 0.035 176.772 176.600 0.229 0.000 1.062 397 K CA -0.109 56.226 56.287 0.081 0.000 0.918 397 K CB 0.554 33.059 32.500 0.009 0.000 1.055 397 K HN 0.480 nan 8.250 nan 0.000 0.477 398 K N 2.556 123.023 120.400 0.111 0.000 2.477 398 K HA 0.057 4.378 4.320 0.002 0.000 0.208 398 K C -0.801 175.859 176.600 0.099 0.000 1.117 398 K CA -0.097 56.298 56.287 0.180 0.000 1.039 398 K CB 0.749 33.295 32.500 0.077 0.000 0.937 398 K HN 0.665 nan 8.250 nan 0.000 0.570 399 D N 0.740 121.063 120.400 -0.129 0.000 2.373 399 D HA 0.271 4.912 4.640 0.002 0.000 0.227 399 D C -0.553 175.395 176.300 -0.586 0.000 1.091 399 D CA -0.209 53.632 54.000 -0.264 0.000 0.840 399 D CB 0.687 41.420 40.800 -0.111 0.000 1.060 399 D HN -0.181 nan 8.370 nan 0.000 0.502 400 F N 1.049 120.660 119.950 -0.566 0.000 2.588 400 F HA 0.558 5.086 4.527 0.002 0.000 0.310 400 F C -0.779 174.514 175.800 -0.844 0.000 1.082 400 F CA -0.964 56.749 58.000 -0.478 0.000 0.929 400 F CB 2.101 40.924 39.000 -0.294 0.000 1.254 400 F HN 0.168 nan 8.300 nan 0.000 0.455 401 F N 1.085 121.060 119.950 0.042 0.000 2.601 401 F HA 0.496 5.024 4.527 0.001 0.000 0.309 401 F C -0.618 175.155 175.800 -0.045 0.000 1.089 401 F CA -1.018 56.969 58.000 -0.021 0.000 0.940 401 F CB 2.410 41.380 39.000 -0.050 0.000 1.273 401 F HN 0.178 nan 8.300 nan 0.000 0.450 402 K N 2.249 122.728 120.400 0.131 0.000 2.450 402 K HA 0.334 4.655 4.320 0.002 0.000 0.257 402 K C -0.385 176.251 176.600 0.060 0.000 0.953 402 K CA -0.457 55.861 56.287 0.051 0.000 0.844 402 K CB 0.545 33.040 32.500 -0.007 0.000 1.103 402 K HN 0.709 nan 8.250 nan 0.000 0.429 403 N N 3.198 121.918 118.700 0.034 0.000 2.716 403 N HA -0.235 4.506 4.740 0.002 0.000 0.250 403 N C 0.510 176.028 175.510 0.014 0.000 1.033 403 N CA 1.514 54.571 53.050 0.011 0.000 0.727 403 N CB -1.209 37.279 38.487 0.002 0.000 0.950 403 N HN 1.109 nan 8.380 nan 0.000 0.541 404 G N -2.383 106.432 108.800 0.025 0.000 2.179 404 G HA2 -0.178 3.784 3.960 0.002 0.000 0.260 404 G HA3 -0.178 3.784 3.960 0.002 0.000 0.260 404 G C 0.193 175.167 174.900 0.124 0.000 0.977 404 G CA 0.808 45.892 45.100 -0.027 0.000 0.641 404 G HN 1.161 nan 8.290 nan 0.000 0.533 405 A N -0.084 122.850 122.820 0.189 0.000 2.301 405 A HA 0.808 5.129 4.320 0.002 0.000 0.298 405 A C 0.534 178.270 177.584 0.254 0.000 1.185 405 A CA 0.148 52.296 52.037 0.185 0.000 0.830 405 A CB 0.553 19.595 19.000 0.070 0.000 1.112 405 A HN 0.870 nan 8.150 nan 0.000 0.508 406 R N 1.903 122.502 120.500 0.166 0.000 2.522 406 R HA 0.312 4.653 4.340 0.002 0.000 0.284 406 R C -1.013 175.174 176.300 -0.189 0.000 1.032 406 R CA 0.353 56.348 56.100 -0.176 0.000 1.049 406 R CB 0.166 30.393 30.300 -0.120 0.000 0.956 406 R HN 0.390 nan 8.270 nan 0.000 0.422 407 V N 6.838 126.579 119.914 -0.288 0.000 2.311 407 V HA 0.132 4.253 4.120 0.002 0.000 0.275 407 V C 1.227 177.193 176.094 -0.213 0.000 1.022 407 V CA -0.397 61.788 62.300 -0.191 0.000 0.830 407 V CB 1.176 32.909 31.823 -0.150 0.000 1.012 407 V HN 0.902 nan 8.190 nan 0.000 0.452 408 K N 3.911 124.158 120.400 -0.255 0.000 2.057 408 K HA -0.019 4.303 4.320 0.002 0.000 0.206 408 K C -0.259 175.995 176.600 -0.577 0.000 1.050 408 K CA 1.408 57.418 56.287 -0.461 0.000 0.935 408 K CB 0.099 32.236 32.500 -0.606 0.000 0.715 408 K HN 0.661 nan 8.250 nan 0.000 0.439 409 Y N 0.387 120.685 120.300 -0.004 0.000 2.555 409 Y HA 0.228 4.779 4.550 0.002 0.000 0.326 409 Y C -1.879 174.019 175.900 -0.004 0.000 0.984 409 Y CA -2.242 55.878 58.100 0.035 0.000 1.298 409 Y CB 1.657 40.160 38.460 0.073 0.000 1.094 409 Y HN 0.117 nan 8.280 nan 0.000 0.500 410 P HA -0.031 nan 4.420 nan 0.000 0.233 410 P C 0.150 177.538 177.300 0.147 0.000 1.167 410 P CA 0.706 63.783 63.100 -0.038 0.000 0.770 410 P CB 0.875 32.275 31.700 -0.500 0.000 0.837 411 S N -0.943 114.838 115.700 0.135 0.000 2.535 411 S HA 0.443 4.915 4.470 0.002 0.000 0.272 411 S C -1.078 173.463 174.600 -0.097 0.000 1.149 411 S CA -0.513 57.634 58.200 -0.087 0.000 0.888 411 S CB 1.379 64.321 63.200 -0.430 0.000 1.110 411 S HN -0.253 nan 8.310 nan 0.000 0.463 412 V N 5.837 125.636 119.914 -0.191 0.000 2.502 412 V HA 0.342 4.464 4.120 0.002 0.000 0.261 412 V C -1.799 174.135 176.094 -0.267 0.000 0.996 412 V CA -0.933 61.283 62.300 -0.140 0.000 1.095 412 V CB 0.761 32.605 31.823 0.035 0.000 1.325 412 V HN 0.720 nan 8.190 nan 0.000 0.574 413 P HA -0.060 nan 4.420 nan 0.000 0.220 413 P C 0.924 177.971 177.300 -0.421 0.000 1.152 413 P CA 1.099 63.784 63.100 -0.692 0.000 0.812 413 P CB 0.282 31.190 31.700 -1.319 0.000 0.792 414 W N 0.386 121.626 121.300 -0.100 0.000 3.353 414 W HA 0.390 5.051 4.660 0.002 0.000 0.304 414 W C 1.170 177.658 176.519 -0.052 0.000 1.273 414 W CA 0.035 57.341 57.345 -0.065 0.000 1.773 414 W CB -0.043 29.389 29.460 -0.046 0.000 1.095 414 W HN 0.087 nan 8.180 nan 0.000 0.676 415 G N 0.603 109.470 108.800 0.112 0.000 2.584 415 G HA2 -0.246 3.716 3.960 0.002 0.000 0.229 415 G HA3 -0.246 3.716 3.960 0.002 0.000 0.229 415 G C -0.377 174.542 174.900 0.033 0.000 1.320 415 G CA -0.274 44.864 45.100 0.063 0.000 0.891 415 G HN -0.042 nan 8.290 nan 0.000 0.573 416 T N 0.462 115.028 114.554 0.020 0.000 2.907 416 T HA 0.502 4.853 4.350 0.002 0.000 0.284 416 T C 1.820 176.503 174.700 -0.027 0.000 1.004 416 T CA 0.945 63.040 62.100 -0.008 0.000 1.063 416 T CB 1.164 70.054 68.868 0.036 0.000 0.992 416 T HN 0.843 nan 8.240 nan 0.000 0.483 417 E N 1.886 122.032 120.200 -0.091 0.000 2.187 417 E HA -0.252 4.099 4.350 0.002 0.000 0.199 417 E C 1.149 177.761 176.600 0.020 0.000 1.004 417 E CA 1.869 58.235 56.400 -0.056 0.000 0.813 417 E CB -0.095 29.588 29.700 -0.028 0.000 0.736 417 E HN 0.631 nan 8.360 nan 0.000 0.468 418 D N 0.602 121.023 120.400 0.036 0.000 2.269 418 D HA -0.102 4.539 4.640 0.002 0.000 0.208 418 D C 0.174 176.499 176.300 0.041 0.000 0.963 418 D CA 0.756 54.783 54.000 0.045 0.000 0.864 418 D CB 0.043 40.874 40.800 0.052 0.000 0.936 418 D HN 0.141 nan 8.370 nan 0.000 0.505 419 N N -0.167 118.556 118.700 0.037 0.000 2.687 419 N HA 0.170 4.911 4.740 0.002 0.000 0.275 419 N C -1.476 174.058 175.510 0.040 0.000 1.789 419 N CA -0.306 52.768 53.050 0.040 0.000 0.806 419 N CB 0.031 38.545 38.487 0.045 0.000 1.256 419 N HN -0.010 nan 8.380 nan 0.000 0.500 420 L N 0.592 121.834 121.223 0.031 0.000 2.416 420 L HA 0.244 4.585 4.340 0.002 0.000 0.272 420 L C 0.899 177.763 176.870 -0.010 0.000 1.161 420 L CA -0.632 54.226 54.840 0.031 0.000 0.845 420 L CB 0.684 42.747 42.059 0.006 0.000 1.119 420 L HN 0.382 nan 8.230 nan 0.000 0.464 421 C N 6.853 126.157 119.300 0.006 0.000 2.517 421 C HA 0.034 4.495 4.460 0.002 0.000 0.403 421 C C -0.424 174.443 174.990 -0.205 0.000 1.467 421 C CA -1.148 57.832 59.018 -0.063 0.000 1.542 421 C CB -0.220 27.525 27.740 0.009 0.000 2.482 421 C HN 0.661 nan 8.230 nan 0.000 0.610 422 P HA 0.051 nan 4.420 nan 0.000 0.223 422 P C 1.301 178.441 177.300 -0.266 0.000 1.151 422 P CA 1.823 64.833 63.100 -0.151 0.000 0.787 422 P CB -0.107 31.558 31.700 -0.058 0.000 0.788 423 G N 0.989 109.553 108.800 -0.393 0.000 2.920 423 G HA2 -0.128 3.833 3.960 0.002 0.000 0.208 423 G HA3 -0.128 3.833 3.960 0.002 0.000 0.208 423 G C 1.664 176.326 174.900 -0.398 0.000 1.159 423 G CA -0.050 44.756 45.100 -0.490 0.000 0.784 423 G HN 0.330 nan 8.290 nan 0.000 0.535 424 R N -0.055 120.061 120.500 -0.640 0.000 2.091 424 R HA -0.121 4.220 4.340 0.002 0.000 0.238 424 R C 1.834 177.694 176.300 -0.732 0.000 1.136 424 R CA 1.513 56.954 56.100 -1.097 0.000 0.959 424 R CB -0.909 28.140 30.300 -2.085 0.000 0.856 424 R HN 0.364 nan 8.270 nan 0.000 0.437 425 H N -0.319 118.521 119.070 -0.384 0.000 2.357 425 H HA -0.094 4.464 4.556 0.002 0.000 0.301 425 H C 1.946 177.078 175.328 -0.328 0.000 1.082 425 H CA 1.474 57.332 56.048 -0.316 0.000 1.342 425 H CB -0.467 29.127 29.762 -0.281 0.000 1.389 425 H HN 0.216 nan 8.280 nan 0.000 0.511 426 F N 1.830 121.653 119.950 -0.211 0.000 2.102 426 F HA -0.115 4.413 4.527 0.002 0.000 0.298 426 F C 2.652 178.424 175.800 -0.047 0.000 1.105 426 F CA 1.149 59.079 58.000 -0.117 0.000 1.239 426 F CB -0.514 38.477 39.000 -0.015 0.000 0.991 426 F HN 0.105 nan 8.300 nan 0.000 0.474 427 A N -0.246 122.521 122.820 -0.087 0.000 1.883 427 A HA -0.153 4.169 4.320 0.002 0.000 0.217 427 A C 2.344 179.939 177.584 0.019 0.000 1.186 427 A CA 2.119 54.108 52.037 -0.080 0.000 0.624 427 A CB -1.411 17.590 19.000 0.002 0.000 0.822 427 A HN 0.267 nan 8.150 nan 0.000 0.444 428 V N -0.353 119.609 119.914 0.079 0.000 2.343 428 V HA -0.299 3.822 4.120 0.002 0.000 0.247 428 V C 2.300 178.551 176.094 0.262 0.000 1.051 428 V CA 2.200 64.644 62.300 0.240 0.000 1.036 428 V CB -1.180 30.819 31.823 0.294 0.000 0.654 428 V HN 0.710 nan 8.190 nan 0.000 0.451 429 H N -0.197 118.889 119.070 0.028 0.000 2.319 429 H HA -0.196 4.361 4.556 0.002 0.000 0.299 429 H C 2.352 177.630 175.328 -0.084 0.000 1.092 429 H CA 1.316 57.350 56.048 -0.022 0.000 1.302 429 H CB 0.002 29.740 29.762 -0.040 0.000 1.373 429 H HN 0.489 nan 8.280 nan 0.000 0.497 430 A N 1.050 123.835 122.820 -0.059 0.000 1.877 430 A HA -0.134 4.187 4.320 0.002 0.000 0.216 430 A C 2.457 180.034 177.584 -0.012 0.000 1.186 430 A CA 1.264 53.216 52.037 -0.141 0.000 0.620 430 A CB -0.716 18.081 19.000 -0.338 0.000 0.822 430 A HN 0.277 nan 8.150 nan 0.000 0.443 431 I N -0.228 120.382 120.570 0.066 0.000 2.151 431 I HA -0.329 3.843 4.170 0.002 0.000 0.243 431 I C 2.524 178.747 176.117 0.176 0.000 1.080 431 I CA 1.737 63.133 61.300 0.160 0.000 1.339 431 I CB -0.298 37.856 38.000 0.256 0.000 1.039 431 I HN 0.270 nan 8.210 nan 0.000 0.409 432 K N 0.213 120.707 120.400 0.156 0.000 2.044 432 K HA -0.273 4.048 4.320 0.002 0.000 0.210 432 K C 2.129 178.692 176.600 -0.062 0.000 1.049 432 K CA 1.877 58.121 56.287 -0.072 0.000 0.927 432 K CB -0.233 32.212 32.500 -0.092 0.000 0.713 432 K HN 0.201 nan 8.250 nan 0.000 0.443 433 E N 1.258 121.448 120.200 -0.017 0.000 2.072 433 E HA -0.167 4.184 4.350 0.002 0.000 0.191 433 E C 1.848 178.493 176.600 0.076 0.000 0.985 433 E CA 0.779 57.186 56.400 0.011 0.000 0.801 433 E CB -0.229 29.457 29.700 -0.023 0.000 0.750 433 E HN 0.096 nan 8.360 nan 0.000 0.452 434 L N -0.241 121.009 121.223 0.045 0.000 2.017 434 L HA -0.115 4.226 4.340 0.002 0.000 0.208 434 L C 2.275 179.172 176.870 0.045 0.000 1.073 434 L CA 1.539 56.401 54.840 0.036 0.000 0.745 434 L CB -0.841 41.230 42.059 0.020 0.000 0.894 434 L HN 0.119 nan 8.230 nan 0.000 0.432 435 V N -0.484 119.468 119.914 0.063 0.000 2.261 435 V HA -0.332 3.789 4.120 0.002 0.000 0.246 435 V C 2.331 178.447 176.094 0.036 0.000 1.047 435 V CA 2.187 64.524 62.300 0.062 0.000 1.015 435 V CB -0.900 30.993 31.823 0.117 0.000 0.642 435 V HN 0.548 nan 8.190 nan 0.000 0.446 436 F N 1.253 121.128 119.950 -0.126 0.000 2.043 436 F HA -0.322 4.206 4.527 0.002 0.000 0.297 436 F C 2.492 178.273 175.800 -0.032 0.000 1.118 436 F CA 2.728 60.665 58.000 -0.105 0.000 1.202 436 F CB -0.727 38.192 39.000 -0.136 0.000 0.965 436 F HN 0.144 nan 8.300 nan 0.000 0.482 437 T N 1.863 116.459 114.554 0.069 0.000 2.622 437 T HA -0.250 4.101 4.350 0.002 0.000 0.266 437 T C 2.071 176.768 174.700 -0.004 0.000 1.047 437 T CA 2.209 64.313 62.100 0.006 0.000 1.159 437 T CB -0.679 68.263 68.868 0.124 0.000 0.863 437 T HN 0.316 nan 8.240 nan 0.000 0.422 438 I N 0.766 121.351 120.570 0.025 0.000 2.113 438 I HA -0.217 3.955 4.170 0.002 0.000 0.242 438 I C 2.339 178.493 176.117 0.062 0.000 1.064 438 I CA 1.520 62.848 61.300 0.047 0.000 1.320 438 I CB -0.417 37.544 38.000 -0.066 0.000 1.028 438 I HN 0.225 nan 8.210 nan 0.000 0.406 439 L N -0.402 120.798 121.223 -0.039 0.000 2.275 439 L HA -0.178 4.163 4.340 0.002 0.000 0.215 439 L C 2.336 179.130 176.870 -0.126 0.000 1.119 439 L CA 1.211 56.016 54.840 -0.058 0.000 0.790 439 L CB -0.601 41.419 42.059 -0.065 0.000 0.919 439 L HN 0.296 nan 8.230 nan 0.000 0.443 440 T N -1.645 112.759 114.554 -0.249 0.000 3.021 440 T HA -0.048 4.303 4.350 0.002 0.000 0.245 440 T C 1.936 176.515 174.700 -0.201 0.000 1.028 440 T CA 0.557 62.468 62.100 -0.315 0.000 1.139 440 T CB 0.225 68.698 68.868 -0.659 0.000 0.884 440 T HN 0.176 nan 8.240 nan 0.000 0.457 441 R N -0.530 119.879 120.500 -0.151 0.000 2.362 441 R HA 0.306 4.647 4.340 0.002 0.000 0.227 441 R C -0.802 175.189 176.300 -0.516 0.000 0.905 441 R CA 0.069 56.001 56.100 -0.280 0.000 1.067 441 R CB 0.276 30.409 30.300 -0.277 0.000 1.078 441 R HN 0.188 nan 8.270 nan 0.000 0.516 442 F N -0.170 119.732 119.950 -0.079 0.000 2.577 442 F HA 0.381 4.910 4.527 0.002 0.000 0.318 442 F C -0.456 175.343 175.800 -0.002 0.000 1.065 442 F CA -1.134 56.845 58.000 -0.035 0.000 0.929 442 F CB 1.707 40.684 39.000 -0.038 0.000 1.237 442 F HN -0.183 nan 8.300 nan 0.000 0.468 443 D N 1.862 122.398 120.400 0.227 0.000 2.280 443 D HA 0.381 5.022 4.640 0.002 0.000 0.236 443 D C -1.109 175.411 176.300 0.366 0.000 1.082 443 D CA -0.011 54.125 54.000 0.227 0.000 0.834 443 D CB 2.334 43.239 40.800 0.174 0.000 1.100 443 D HN 0.265 nan 8.370 nan 0.000 0.486 444 V N 2.543 122.633 119.914 0.295 0.000 2.531 444 V HA 0.360 4.482 4.120 0.002 0.000 0.301 444 V C -0.940 175.284 176.094 0.216 0.000 1.034 444 V CA -0.434 62.043 62.300 0.294 0.000 0.865 444 V CB 1.874 33.810 31.823 0.188 0.000 0.995 444 V HN 0.418 nan 8.190 nan 0.000 0.424 445 E N 5.372 125.693 120.200 0.201 0.000 2.266 445 E HA 0.521 4.872 4.350 0.002 0.000 0.268 445 E C -1.182 175.442 176.600 0.040 0.000 0.879 445 E CA -0.831 55.617 56.400 0.079 0.000 0.762 445 E CB 2.409 32.093 29.700 -0.026 0.000 1.199 445 E HN 0.672 nan 8.360 nan 0.000 0.422 446 L N 2.169 123.403 121.223 0.019 0.000 2.410 446 L HA 0.056 4.397 4.340 0.002 0.000 0.273 446 L C 1.099 177.949 176.870 -0.033 0.000 1.152 446 L CA -0.644 54.200 54.840 0.007 0.000 0.855 446 L CB 0.293 42.357 42.059 0.009 0.000 1.129 446 L HN 0.816 nan 8.230 nan 0.000 0.463 447 C N 0.271 119.551 119.300 -0.033 0.000 2.432 447 C HA -0.125 4.336 4.460 0.002 0.000 0.277 447 C C 0.924 175.883 174.990 -0.053 0.000 1.249 447 C CA 0.369 59.349 59.018 -0.063 0.000 1.725 447 C CB -0.699 27.012 27.740 -0.047 0.000 2.028 447 C HN 0.737 nan 8.230 nan 0.000 0.477 448 D N 1.038 121.421 120.400 -0.028 0.000 2.396 448 D HA 0.130 4.771 4.640 0.002 0.000 0.225 448 D C 0.824 177.114 176.300 -0.016 0.000 1.121 448 D CA -0.050 53.938 54.000 -0.021 0.000 0.853 448 D CB 0.854 41.648 40.800 -0.009 0.000 1.043 448 D HN 0.563 nan 8.370 nan 0.000 0.500 449 K N 1.519 121.905 120.400 -0.023 0.000 2.127 449 K HA -0.178 4.143 4.320 0.002 0.000 0.208 449 K C 0.994 177.589 176.600 -0.008 0.000 1.047 449 K CA 1.078 57.355 56.287 -0.018 0.000 0.927 449 K CB 0.104 32.592 32.500 -0.020 0.000 0.716 449 K HN 0.120 nan 8.250 nan 0.000 0.450 450 N N 0.497 119.194 118.700 -0.006 0.000 2.236 450 N HA 0.159 4.900 4.740 0.002 0.000 0.196 450 N C -0.190 175.322 175.510 0.004 0.000 1.114 450 N CA 0.304 53.352 53.050 -0.002 0.000 0.859 450 N CB 0.473 38.959 38.487 -0.001 0.000 0.982 450 N HN 0.290 nan 8.380 nan 0.000 0.493 451 A N 1.057 123.882 122.820 0.008 0.000 2.547 451 A HA 0.234 4.556 4.320 0.002 0.000 0.233 451 A C 0.882 178.481 177.584 0.025 0.000 1.067 451 A CA 0.333 52.381 52.037 0.018 0.000 0.763 451 A CB 0.029 19.041 19.000 0.019 0.000 1.007 451 A HN 0.291 nan 8.150 nan 0.000 0.506 452 T N -1.299 113.281 114.554 0.044 0.000 2.940 452 T HA 0.615 4.967 4.350 0.002 0.000 0.288 452 T C 0.190 174.937 174.700 0.079 0.000 1.045 452 T CA -0.212 61.930 62.100 0.070 0.000 1.018 452 T CB 0.732 69.657 68.868 0.094 0.000 1.151 452 T HN 1.722 nan 8.240 nan 0.000 0.529 453 V N -0.812 119.160 119.914 0.098 0.000 2.740 453 V HA 0.402 4.523 4.120 0.002 0.000 0.303 453 V C -2.460 173.737 176.094 0.171 0.000 1.054 453 V CA -1.542 60.803 62.300 0.076 0.000 1.106 453 V CB -0.958 30.848 31.823 -0.029 0.000 0.957 453 V HN 0.763 nan 8.190 nan 0.000 0.486 454 P HA 0.209 nan 4.420 nan 0.000 0.269 454 P C 0.028 177.488 177.300 0.266 0.000 1.217 454 P CA -0.215 62.988 63.100 0.171 0.000 0.783 454 P CB 0.293 32.052 31.700 0.099 0.000 0.898 455 L N 0.267 121.605 121.223 0.191 0.000 2.474 455 L HA 0.142 4.484 4.340 0.002 0.000 0.259 455 L C 0.476 177.483 176.870 0.228 0.000 1.232 455 L CA -0.606 54.353 54.840 0.197 0.000 0.821 455 L CB -0.052 42.089 42.059 0.137 0.000 1.108 455 L HN 0.080 nan 8.230 nan 0.000 0.495 456 V N 0.279 120.305 119.914 0.186 0.000 2.649 456 V HA 0.006 4.128 4.120 0.002 0.000 0.292 456 V C 0.067 176.178 176.094 0.028 0.000 1.055 456 V CA -0.276 62.091 62.300 0.112 0.000 1.023 456 V CB 1.352 33.145 31.823 -0.050 0.000 0.992 456 V HN 0.656 nan 8.190 nan 0.000 0.480 457 D N 7.391 127.773 120.400 -0.030 0.000 2.359 457 D HA 0.149 4.790 4.640 0.002 0.000 0.250 457 D C -1.147 175.094 176.300 -0.098 0.000 1.264 457 D CA -1.972 51.997 54.000 -0.053 0.000 0.911 457 D CB 1.442 42.192 40.800 -0.083 0.000 1.056 457 D HN 0.257 nan 8.370 nan 0.000 0.499 458 P HA -0.158 nan 4.420 nan 0.000 0.222 458 P C 1.381 178.780 177.300 0.165 0.000 1.147 458 P CA 0.494 63.686 63.100 0.153 0.000 0.790 458 P CB 0.227 32.108 31.700 0.302 0.000 0.780 459 S N -0.381 115.363 115.700 0.073 0.000 2.462 459 S HA -0.154 4.318 4.470 0.002 0.000 0.243 459 S C 1.871 176.524 174.600 0.088 0.000 1.003 459 S CA 0.913 59.151 58.200 0.063 0.000 0.970 459 S CB -0.610 62.575 63.200 -0.026 0.000 0.762 459 S HN 0.036 nan 8.310 nan 0.000 0.510 460 R N -0.493 120.009 120.500 0.004 0.000 2.254 460 R HA 0.139 4.481 4.340 0.002 0.000 0.195 460 R C -0.329 176.066 176.300 0.158 0.000 0.957 460 R CA 0.009 56.137 56.100 0.047 0.000 1.024 460 R CB -0.373 29.876 30.300 -0.085 0.000 0.952 460 R HN 0.445 nan 8.270 nan 0.000 0.484 461 Y N 0.779 121.187 120.300 0.180 0.000 2.650 461 Y HA 0.121 4.672 4.550 0.003 0.000 0.331 461 Y C 1.699 177.667 175.900 0.114 0.000 1.165 461 Y CA 1.474 59.658 58.100 0.139 0.000 1.473 461 Y CB 0.312 38.868 38.460 0.159 0.000 1.224 461 Y HN 0.406 nan 8.280 nan 0.000 0.533 462 G N 1.814 110.741 108.800 0.211 0.000 2.238 462 G HA2 -0.285 3.676 3.960 0.002 0.000 0.217 462 G HA3 -0.285 3.676 3.960 0.002 0.000 0.217 462 G C 0.505 175.259 174.900 -0.243 0.000 0.996 462 G CA -0.106 44.889 45.100 -0.175 0.000 0.632 462 G HN 0.540 nan 8.290 nan 0.000 0.503 463 F N 1.848 121.887 119.950 0.147 0.000 2.695 463 F HA 0.506 5.035 4.527 0.003 0.000 0.303 463 F C 1.737 177.695 175.800 0.263 0.000 1.091 463 F CA 1.313 59.438 58.000 0.209 0.000 1.300 463 F CB 0.984 40.091 39.000 0.177 0.000 1.071 463 F HN 0.828 nan 8.300 nan 0.000 0.578 464 G N 0.263 109.236 108.800 0.289 0.000 2.358 464 G HA2 -0.113 3.849 3.960 0.002 0.000 0.198 464 G HA3 -0.113 3.849 3.960 0.002 0.000 0.198 464 G C -0.810 174.180 174.900 0.150 0.000 1.220 464 G CA -1.004 44.222 45.100 0.210 0.000 1.187 464 G HN -0.173 nan 8.290 nan 0.000 0.544 465 I N 2.315 122.972 120.570 0.145 0.000 2.618 465 I HA 0.250 4.422 4.170 0.002 0.000 0.284 465 I C 1.423 177.645 176.117 0.175 0.000 1.146 465 I CA 0.059 61.443 61.300 0.139 0.000 1.425 465 I CB 0.180 38.291 38.000 0.185 0.000 1.383 465 I HN 0.419 nan 8.210 nan 0.000 0.562 466 L N 6.488 127.776 121.223 0.108 0.000 2.472 466 L HA 0.159 4.500 4.340 0.002 0.000 0.260 466 L C 0.419 177.529 176.870 0.400 0.000 1.209 466 L CA -0.181 54.707 54.840 0.080 0.000 0.817 466 L CB 0.207 42.140 42.059 -0.211 0.000 1.106 466 L HN 0.552 nan 8.230 nan 0.000 0.479 467 Q N 1.932 121.846 119.800 0.190 0.000 2.356 467 Q HA 0.391 4.733 4.340 0.002 0.000 0.270 467 Q C -2.425 173.515 176.000 -0.100 0.000 1.058 467 Q CA -1.990 53.784 55.803 -0.048 0.000 0.802 467 Q CB 2.485 31.131 28.738 -0.154 0.000 1.303 467 Q HN 0.325 nan 8.270 nan 0.000 0.444 468 P HA -0.046 nan 4.420 nan 0.000 0.269 468 P C -0.295 176.863 177.300 -0.238 0.000 1.209 468 P CA 0.296 63.229 63.100 -0.279 0.000 0.776 468 P CB 1.078 32.342 31.700 -0.727 0.000 0.876 469 A N 3.940 126.716 122.820 -0.072 0.000 1.834 469 A HA 0.016 4.337 4.320 0.002 0.000 0.216 469 A C 1.532 179.055 177.584 -0.103 0.000 1.203 469 A CA 2.099 54.096 52.037 -0.065 0.000 0.621 469 A CB -1.472 17.527 19.000 -0.001 0.000 0.841 469 A HN 0.639 nan 8.150 nan 0.000 0.446 470 G N -1.959 106.791 108.800 -0.084 0.000 2.945 470 G HA2 0.469 4.430 3.960 0.002 0.000 0.156 470 G HA3 0.469 4.430 3.960 0.002 0.000 0.156 470 G C -0.934 173.877 174.900 -0.148 0.000 1.375 470 G CA 0.368 45.415 45.100 -0.089 0.000 1.039 470 G HN 0.357 nan 8.290 nan 0.000 0.586 471 D N -1.445 118.902 120.400 -0.088 0.000 2.566 471 D HA 0.396 5.038 4.640 0.002 0.000 0.254 471 D C -1.056 175.246 176.300 0.005 0.000 1.090 471 D CA -0.547 53.396 54.000 -0.096 0.000 1.034 471 D CB 2.191 42.965 40.800 -0.044 0.000 1.434 471 D HN 0.089 nan 8.370 nan 0.000 0.509 472 L N 2.088 123.360 121.223 0.082 0.000 2.264 472 L HA 0.278 4.619 4.340 0.002 0.000 0.287 472 L C -0.328 176.596 176.870 0.090 0.000 1.039 472 L CA -0.438 54.470 54.840 0.113 0.000 0.829 472 L CB 0.691 42.863 42.059 0.189 0.000 1.211 472 L HN 0.342 nan 8.230 nan 0.000 0.427 473 E N 4.753 124.985 120.200 0.053 0.000 2.328 473 E HA 0.179 4.530 4.350 0.002 0.000 0.265 473 E C -0.504 176.124 176.600 0.047 0.000 1.057 473 E CA 0.138 56.564 56.400 0.042 0.000 0.916 473 E CB 0.607 30.318 29.700 0.017 0.000 0.993 473 E HN 0.439 nan 8.360 nan 0.000 0.446 474 I N -0.374 120.239 120.570 0.072 0.000 3.108 474 I HA 0.592 4.763 4.170 0.002 0.000 0.312 474 I C -0.561 175.611 176.117 0.092 0.000 1.095 474 I CA -1.173 60.180 61.300 0.089 0.000 1.000 474 I CB 1.739 39.822 38.000 0.139 0.000 1.229 474 I HN 0.323 nan 8.210 nan 0.000 0.454 475 R N 1.917 122.478 120.500 0.102 0.000 2.750 475 R HA 0.728 5.069 4.340 0.002 0.000 0.281 475 R C -2.016 174.508 176.300 0.373 0.000 0.972 475 R CA -0.621 55.543 56.100 0.106 0.000 0.912 475 R CB 1.850 32.104 30.300 -0.077 0.000 1.187 475 R HN 0.886 nan 8.270 nan 0.000 0.464 476 Y N -0.825 119.737 120.300 0.436 0.000 2.625 476 Y HA 0.686 5.238 4.550 0.002 0.000 0.338 476 Y C -1.346 174.737 175.900 0.304 0.000 1.123 476 Y CA -1.349 57.006 58.100 0.425 0.000 1.046 476 Y CB 1.522 40.091 38.460 0.181 0.000 1.299 476 Y HN 0.990 nan 8.280 nan 0.000 0.464 477 R N 0.977 121.662 120.500 0.308 0.000 2.710 477 R HA 0.673 5.014 4.340 0.002 0.000 0.270 477 R C -1.789 174.542 176.300 0.051 0.000 1.021 477 R CA -1.083 54.975 56.100 -0.070 0.000 0.889 477 R CB 1.617 31.392 30.300 -0.874 0.000 1.243 477 R HN 0.734 nan 8.270 nan 0.000 0.464 478 I N 2.679 123.173 120.570 -0.126 0.000 2.828 478 I HA -0.040 4.131 4.170 0.002 0.000 0.292 478 I C 1.211 177.149 176.117 -0.297 0.000 1.206 478 I CA 0.123 61.210 61.300 -0.355 0.000 1.420 478 I CB 0.002 37.840 38.000 -0.270 0.000 1.368 478 I HN 0.587 nan 8.210 nan 0.000 0.556 479 R N 0.000 120.307 120.500 -0.321 0.000 2.786 479 R HA 0.000 4.341 4.340 0.002 0.000 0.208 479 R CA 0.000 55.985 56.100 -0.191 0.000 0.921 479 R CB 0.000 30.199 30.300 -0.168 0.000 0.687 479 R HN 0.000 nan 8.270 nan 0.000 0.535