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 2bra_1_B DATA FIRST_RESID 1 DATA SEQUENCE MASPASTNPA HDHFETFVQA QLCQDVLSSF QGLCRALGVE SGGGLSQYHK DATA SEQUENCE IKAQLNYWSA KSLWAKLDKR ASQPVYQQGQ ACTNTKCLVV GAGPCGLRAA DATA SEQUENCE VELALLGARV VLVEKRIKFS RHNVLHLWPF TIHDLRALGA AAFYGRXXXX DATA SEQUENCE XLDHISIRQL QLLLLKVALL LGVEIHWGVK FTGLQPPPRK GSGWRAQLQP DATA SEQUENCE NPPAQLASYE FDVLISAAGG KFVPEGFTIR EMRGKLAIGI TANFVNGRTV DATA SEQUENCE EETQVPEISG VARIXNQKFF QSLLKATGID LENIVYYKDE THYFVMTAKK DATA SEQUENCE QCLLRLGVLR QDLSETDQLL GKANVVPEAL QRFARAAADF ATHGKLGKLE DATA SEQUENCE FAQDARGRPD VAAFDFTSMM RAESSARVQE KHGARLLLGL VGDCLVEPFW DATA SEQUENCE PLGTGVARGF LAAFDAAWMV KRWAEGAGPL EVLAERESLY QLLSQTSPEN DATA SEQUENCE MHRNVAQYGL DPATRYPNLN LRAVTPNQVQ DLYD VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.305 176.300 0.008 0.000 1.140 1 M CA 0.000 55.304 55.300 0.007 0.000 0.988 1 M CB 0.000 32.603 32.600 0.006 0.000 1.302 2 A N 1.063 123.889 122.820 0.010 0.000 2.490 2 A HA 0.719 5.039 4.320 0.000 0.000 0.292 2 A C -0.738 176.854 177.584 0.013 0.000 1.047 2 A CA 0.145 52.188 52.037 0.011 0.000 0.632 2 A CB 0.457 19.462 19.000 0.009 0.000 1.323 2 A HN 1.281 nan 8.150 nan 0.000 0.448 3 S N -0.980 114.727 115.700 0.012 0.000 3.573 3 S HA -0.011 4.460 4.470 0.000 0.000 0.853 3 S C -1.426 173.182 174.600 0.013 0.000 0.417 3 S CA 0.284 58.491 58.200 0.012 0.000 1.418 3 S CB -1.953 61.253 63.200 0.011 0.000 0.841 3 S HN 1.545 nan 8.310 nan 0.000 1.109 4 P HA 0.244 nan 4.420 nan 0.000 0.230 4 P C 0.758 178.063 177.300 0.009 0.000 1.158 4 P CA 0.966 64.072 63.100 0.011 0.000 0.769 4 P CB -0.353 31.353 31.700 0.010 0.000 0.807 5 A N 0.889 123.714 122.820 0.008 0.000 2.520 5 A HA 0.174 4.495 4.320 0.000 0.000 0.245 5 A C 0.699 178.287 177.584 0.005 0.000 1.072 5 A CA -0.012 52.029 52.037 0.006 0.000 0.761 5 A CB -0.336 18.667 19.000 0.006 0.000 1.004 5 A HN 0.221 nan 8.150 nan 0.000 0.499 6 S N 1.563 117.263 115.700 0.000 0.000 2.546 6 S HA 0.171 4.642 4.470 0.000 0.000 0.290 6 S C 1.608 176.205 174.600 -0.004 0.000 1.290 6 S CA 0.297 58.495 58.200 -0.003 0.000 1.069 6 S CB 0.143 63.336 63.200 -0.012 0.000 0.846 6 S HN 1.118 nan 8.310 nan 0.000 0.495 7 T N 1.914 116.466 114.554 -0.004 0.000 3.010 7 T HA 0.174 4.524 4.350 0.000 0.000 0.252 7 T C 0.631 175.299 174.700 -0.053 0.000 1.047 7 T CA 0.071 62.160 62.100 -0.018 0.000 1.140 7 T CB -0.127 68.738 68.868 -0.005 0.000 0.885 7 T HN 0.511 nan 8.240 nan 0.000 0.464 8 N N 1.926 120.585 118.700 -0.068 0.000 2.623 8 N HA 0.360 5.100 4.740 0.000 0.000 0.256 8 N C -2.594 172.874 175.510 -0.070 0.000 1.045 8 N CA -2.050 50.906 53.050 -0.157 0.000 0.863 8 N CB 2.140 40.373 38.487 -0.423 0.000 1.182 8 N HN -0.028 nan 8.380 nan 0.000 0.523 9 P HA -0.033 nan 4.420 nan 0.000 0.220 9 P C 1.018 178.455 177.300 0.229 0.000 1.148 9 P CA 0.807 63.962 63.100 0.091 0.000 0.803 9 P CB 0.431 32.220 31.700 0.149 0.000 0.782 10 A N -0.267 122.628 122.820 0.124 0.000 1.851 10 A HA -0.266 4.055 4.320 0.000 0.000 0.216 10 A C 2.081 179.850 177.584 0.308 0.000 1.195 10 A CA 1.706 53.848 52.037 0.175 0.000 0.622 10 A CB -1.971 17.055 19.000 0.045 0.000 0.831 10 A HN 0.256 nan 8.150 nan 0.000 0.444 11 H N -0.593 118.497 119.070 0.032 0.000 2.319 11 H HA -0.160 4.396 4.556 0.000 0.000 0.297 11 H C 1.730 177.195 175.328 0.229 0.000 1.097 11 H CA 1.100 57.183 56.048 0.058 0.000 1.285 11 H CB -0.059 29.606 29.762 -0.161 0.000 1.368 11 H HN 0.460 nan 8.280 nan 0.000 0.495 12 D N -0.339 120.205 120.400 0.240 0.000 2.117 12 D HA -0.103 4.538 4.640 0.000 0.000 0.197 12 D C 1.983 178.329 176.300 0.075 0.000 0.987 12 D CA 1.219 55.279 54.000 0.100 0.000 0.829 12 D CB -0.394 40.355 40.800 -0.084 0.000 0.961 12 D HN 0.523 nan 8.370 nan 0.000 0.460 13 H N -1.113 118.090 119.070 0.223 0.000 2.363 13 H HA 0.003 4.559 4.556 0.000 0.000 0.301 13 H C 1.679 177.211 175.328 0.339 0.000 1.074 13 H CA 0.927 57.108 56.048 0.222 0.000 1.354 13 H CB -0.170 29.680 29.762 0.147 0.000 1.397 13 H HN 0.065 nan 8.280 nan 0.000 0.516 14 F N 1.990 122.176 119.950 0.393 0.000 2.095 14 F HA -0.221 4.306 4.527 0.000 0.000 0.298 14 F C 1.938 178.004 175.800 0.444 0.000 1.104 14 F CA 1.689 59.972 58.000 0.472 0.000 1.232 14 F CB -0.093 39.188 39.000 0.467 0.000 0.987 14 F HN 0.131 nan 8.300 nan 0.000 0.475 15 E N -0.622 119.779 120.200 0.336 0.000 2.051 15 E HA -0.176 4.175 4.350 0.000 0.000 0.192 15 E C 2.155 178.800 176.600 0.075 0.000 0.991 15 E CA 1.955 58.441 56.400 0.143 0.000 0.799 15 E CB -0.493 29.338 29.700 0.217 0.000 0.748 15 E HN 0.357 nan 8.360 nan 0.000 0.449 16 T N 1.184 115.822 114.554 0.140 0.000 2.674 16 T HA -0.196 4.154 4.350 0.000 0.000 0.265 16 T C 1.537 176.323 174.700 0.144 0.000 1.039 16 T CA 1.342 63.514 62.100 0.120 0.000 1.150 16 T CB -0.504 68.440 68.868 0.127 0.000 0.864 16 T HN 0.185 nan 8.240 nan 0.000 0.427 17 F N 1.776 121.766 119.950 0.067 0.000 2.063 17 F HA -0.178 4.349 4.527 0.000 0.000 0.298 17 F C 2.312 178.111 175.800 -0.003 0.000 1.109 17 F CA 1.019 59.061 58.000 0.069 0.000 1.212 17 F CB -0.939 38.158 39.000 0.162 0.000 0.973 17 F HN -0.041 nan 8.300 nan 0.000 0.480 18 V N 0.249 119.972 119.914 -0.318 0.000 2.667 18 V HA -0.237 3.883 4.120 0.000 0.000 0.252 18 V C 1.961 177.943 176.094 -0.187 0.000 1.065 18 V CA 2.209 64.261 62.300 -0.413 0.000 1.083 18 V CB -0.357 31.150 31.823 -0.527 0.000 0.692 18 V HN 0.533 nan 8.190 nan 0.000 0.468 19 Q N -0.386 119.345 119.800 -0.115 0.000 2.392 19 Q HA 0.317 4.657 4.340 0.000 0.000 0.203 19 Q C 0.825 176.806 176.000 -0.033 0.000 0.917 19 Q CA 0.313 56.088 55.803 -0.047 0.000 0.939 19 Q CB 0.313 29.040 28.738 -0.018 0.000 1.063 19 Q HN 0.629 nan 8.270 nan 0.000 0.516 20 A N 0.902 123.685 122.820 -0.063 0.000 2.425 20 A HA 0.082 4.402 4.320 0.000 0.000 0.249 20 A C 0.605 178.165 177.584 -0.040 0.000 1.084 20 A CA 0.045 52.061 52.037 -0.036 0.000 0.781 20 A CB 0.459 19.448 19.000 -0.017 0.000 1.019 20 A HN 0.110 nan 8.150 nan 0.000 0.490 21 Q N 0.681 120.469 119.800 -0.019 0.000 2.127 21 Q HA 0.336 4.676 4.340 0.000 0.000 0.222 21 Q C -0.969 175.021 176.000 -0.018 0.000 0.794 21 Q CA 0.352 56.150 55.803 -0.008 0.000 1.010 21 Q CB 0.568 29.316 28.738 0.018 0.000 1.170 21 Q HN 0.706 nan 8.270 nan 0.000 0.479 22 L N -0.731 120.464 121.223 -0.046 0.000 2.381 22 L HA 0.332 4.672 4.340 0.000 0.000 0.268 22 L C 1.248 178.018 176.870 -0.167 0.000 0.997 22 L CA -0.592 54.194 54.840 -0.090 0.000 0.818 22 L CB 2.066 44.073 42.059 -0.086 0.000 1.310 22 L HN 0.012 nan 8.230 nan 0.000 0.416 23 C N 1.208 120.325 119.300 -0.305 0.000 2.375 23 C HA -0.206 4.254 4.460 0.000 0.000 0.274 23 C C 2.560 177.274 174.990 -0.459 0.000 1.190 23 C CA 1.878 60.569 59.018 -0.545 0.000 1.775 23 C CB -0.555 26.534 27.740 -1.085 0.000 2.067 23 C HN 0.945 nan 8.230 nan 0.000 0.463 24 Q N -0.778 118.789 119.800 -0.388 0.000 2.378 24 Q HA -0.067 4.273 4.340 0.000 0.000 0.205 24 Q C 1.163 177.068 176.000 -0.158 0.000 0.954 24 Q CA 1.219 56.833 55.803 -0.315 0.000 0.901 24 Q CB -0.494 28.087 28.738 -0.261 0.000 0.981 24 Q HN 0.631 nan 8.270 nan 0.000 0.483 25 D N 1.202 121.537 120.400 -0.109 0.000 2.183 25 D HA -0.023 4.618 4.640 0.000 0.000 0.205 25 D C 2.161 178.484 176.300 0.038 0.000 0.962 25 D CA 0.553 54.539 54.000 -0.023 0.000 0.849 25 D CB 0.147 40.937 40.800 -0.017 0.000 0.978 25 D HN 0.047 nan 8.370 nan 0.000 0.488 26 V N 1.482 121.398 119.914 0.003 0.000 2.252 26 V HA -0.255 3.865 4.120 0.000 0.000 0.249 26 V C 2.657 178.873 176.094 0.205 0.000 1.056 26 V CA 1.373 63.736 62.300 0.104 0.000 1.022 26 V CB -0.621 31.205 31.823 0.006 0.000 0.641 26 V HN 0.202 nan 8.190 nan 0.000 0.445 27 L N 0.848 122.099 121.223 0.046 0.000 2.046 27 L HA -0.148 4.192 4.340 0.000 0.000 0.208 27 L C 2.744 179.684 176.870 0.117 0.000 1.077 27 L CA 1.922 56.806 54.840 0.072 0.000 0.747 27 L CB -0.847 41.158 42.059 -0.090 0.000 0.896 27 L HN 0.573 nan 8.230 nan 0.000 0.432 28 S N -0.651 115.089 115.700 0.065 0.000 2.387 28 S HA -0.150 4.321 4.470 0.000 0.000 0.226 28 S C 2.154 176.820 174.600 0.111 0.000 1.026 28 S CA 0.984 59.223 58.200 0.064 0.000 0.972 28 S CB -0.500 62.720 63.200 0.032 0.000 0.814 28 S HN 0.514 nan 8.310 nan 0.000 0.477 29 S N 0.606 116.417 115.700 0.186 0.000 2.428 29 S HA 0.031 4.501 4.470 0.000 0.000 0.230 29 S C 1.568 176.309 174.600 0.235 0.000 1.014 29 S CA 0.489 58.846 58.200 0.261 0.000 0.957 29 S CB -0.885 62.505 63.200 0.316 0.000 0.784 29 S HN 0.477 nan 8.310 nan 0.000 0.499 30 F N 2.481 122.467 119.950 0.060 0.000 2.206 30 F HA 0.104 4.631 4.527 0.000 0.000 0.298 30 F C 2.585 178.309 175.800 -0.127 0.000 1.090 30 F CA 1.154 59.051 58.000 -0.172 0.000 1.323 30 F CB -0.421 38.453 39.000 -0.211 0.000 1.028 30 F HN 0.104 nan 8.300 nan 0.000 0.492 31 Q N 0.345 120.128 119.800 -0.029 0.000 2.050 31 Q HA -0.110 4.230 4.340 0.000 0.000 0.202 31 Q C 2.588 178.446 176.000 -0.237 0.000 0.980 31 Q CA 1.582 57.305 55.803 -0.133 0.000 0.840 31 Q CB -1.487 27.230 28.738 -0.035 0.000 0.898 31 Q HN 0.521 nan 8.270 nan 0.000 0.424 32 G N 0.956 109.609 108.800 -0.244 0.000 2.422 32 G HA2 -0.233 3.727 3.960 0.000 0.000 0.218 32 G HA3 -0.233 3.727 3.960 0.000 0.000 0.218 32 G C 1.495 176.008 174.900 -0.645 0.000 1.146 32 G CA 0.920 45.691 45.100 -0.547 0.000 0.769 32 G HN 0.350 nan 8.290 nan 0.000 0.547 33 L N 0.559 121.554 121.223 -0.379 0.000 2.056 33 L HA 0.016 4.356 4.340 0.000 0.000 0.207 33 L C 2.771 179.449 176.870 -0.319 0.000 1.078 33 L CA 1.547 56.253 54.840 -0.223 0.000 0.749 33 L CB -0.882 41.103 42.059 -0.124 0.000 0.901 33 L HN 0.234 nan 8.230 nan 0.000 0.433 34 C N -0.093 118.915 119.300 -0.487 0.000 2.413 34 C HA -0.174 4.286 4.460 0.000 0.000 0.276 34 C C 2.899 177.738 174.990 -0.251 0.000 1.236 34 C CA 1.219 59.991 59.018 -0.410 0.000 1.735 34 C CB -1.112 26.354 27.740 -0.457 0.000 2.031 34 C HN 0.585 nan 8.230 nan 0.000 0.474 35 R N 1.013 121.371 120.500 -0.235 0.000 2.091 35 R HA -0.168 4.173 4.340 0.000 0.000 0.238 35 R C 2.206 178.419 176.300 -0.144 0.000 1.136 35 R CA 1.903 57.899 56.100 -0.172 0.000 0.959 35 R CB -0.480 29.717 30.300 -0.173 0.000 0.856 35 R HN 0.519 nan 8.270 nan 0.000 0.437 36 A N 0.469 123.193 122.820 -0.160 0.000 2.019 36 A HA -0.070 4.250 4.320 0.000 0.000 0.219 36 A C 1.797 179.333 177.584 -0.080 0.000 1.164 36 A CA 1.032 53.016 52.037 -0.088 0.000 0.644 36 A CB -0.073 18.911 19.000 -0.027 0.000 0.805 36 A HN 0.359 nan 8.150 nan 0.000 0.449 37 L N -1.532 119.628 121.223 -0.105 0.000 2.857 37 L HA 0.313 4.654 4.340 0.000 0.000 0.249 37 L C 1.261 178.071 176.870 -0.100 0.000 1.172 37 L CA 0.264 55.046 54.840 -0.097 0.000 0.980 37 L CB 0.117 42.114 42.059 -0.105 0.000 1.299 37 L HN 0.477 nan 8.230 nan 0.000 0.535 38 G N 1.459 110.200 108.800 -0.099 0.000 2.221 38 G HA2 -0.235 3.725 3.960 0.000 0.000 0.265 38 G HA3 -0.235 3.725 3.960 0.000 0.000 0.265 38 G C 0.101 174.948 174.900 -0.089 0.000 1.041 38 G CA 0.482 45.532 45.100 -0.084 0.000 0.807 38 G HN 0.297 nan 8.290 nan 0.000 0.502 39 V N -5.413 114.432 119.914 -0.115 0.000 3.184 39 V HA 1.039 5.159 4.120 0.000 0.000 0.308 39 V C -0.177 175.848 176.094 -0.116 0.000 1.243 39 V CA -1.301 60.933 62.300 -0.110 0.000 1.058 39 V CB 2.103 33.853 31.823 -0.123 0.000 1.183 39 V HN 0.171 nan 8.190 nan 0.000 0.471 40 E N 0.560 120.705 120.200 -0.091 0.000 2.369 40 E HA 0.521 4.871 4.350 0.000 0.000 0.270 40 E C -0.819 175.756 176.600 -0.042 0.000 0.909 40 E CA -0.417 55.940 56.400 -0.073 0.000 0.775 40 E CB 2.117 31.798 29.700 -0.032 0.000 1.270 40 E HN 1.002 nan 8.360 nan 0.000 0.445 41 S N -1.051 114.652 115.700 0.004 0.000 2.617 41 S HA 0.518 4.988 4.470 0.000 0.000 0.269 41 S C 1.043 175.702 174.600 0.099 0.000 1.292 41 S CA 0.167 58.469 58.200 0.170 0.000 1.010 41 S CB 1.037 64.390 63.200 0.256 0.000 0.944 41 S HN 0.894 nan 8.310 nan 0.000 0.536 42 G N 0.471 109.334 108.800 0.105 0.000 2.153 42 G HA2 -0.153 3.808 3.960 0.000 0.000 0.252 42 G HA3 -0.153 3.808 3.960 0.000 0.000 0.252 42 G C 0.646 175.556 174.900 0.018 0.000 0.994 42 G CA 0.109 45.221 45.100 0.020 0.000 0.698 42 G HN 1.539 nan 8.290 nan 0.000 0.521 43 G N -0.428 108.394 108.800 0.037 0.000 3.284 43 G HA2 0.598 4.559 3.960 0.000 0.000 0.236 43 G HA3 0.598 4.559 3.960 0.000 0.000 0.236 43 G C 1.288 176.194 174.900 0.011 0.000 1.158 43 G CA 1.319 46.431 45.100 0.020 0.000 0.774 43 G HN 2.009 nan 8.290 nan 0.000 0.545 44 G N -0.282 108.524 108.800 0.010 0.000 2.782 44 G HA2 -0.248 3.713 3.960 0.000 0.000 0.228 44 G HA3 -0.248 3.713 3.960 0.000 0.000 0.228 44 G C 0.831 175.711 174.900 -0.034 0.000 1.372 44 G CA -0.215 44.881 45.100 -0.007 0.000 0.862 44 G HN 0.366 nan 8.290 nan 0.000 0.547 45 L N 0.961 122.138 121.223 -0.077 0.000 2.201 45 L HA -0.053 4.288 4.340 0.000 0.000 0.212 45 L C 3.251 179.851 176.870 -0.450 0.000 1.105 45 L CA 2.170 56.894 54.840 -0.193 0.000 0.775 45 L CB -0.616 41.342 42.059 -0.169 0.000 0.913 45 L HN 0.869 nan 8.230 nan 0.000 0.440 46 S N -1.019 114.534 115.700 -0.245 0.000 2.423 46 S HA -0.178 4.292 4.470 0.000 0.000 0.231 46 S C 1.915 176.438 174.600 -0.129 0.000 1.014 46 S CA 0.596 58.689 58.200 -0.179 0.000 0.965 46 S CB -0.144 63.038 63.200 -0.031 0.000 0.785 46 S HN 0.369 nan 8.310 nan 0.000 0.495 47 Q N 0.276 120.029 119.800 -0.079 0.000 2.123 47 Q HA 0.032 4.373 4.340 0.000 0.000 0.199 47 Q C 1.832 177.815 176.000 -0.030 0.000 0.966 47 Q CA 1.325 57.104 55.803 -0.040 0.000 0.845 47 Q CB -0.916 27.823 28.738 0.002 0.000 0.907 47 Q HN 0.817 nan 8.270 nan 0.000 0.439 48 Y N 1.169 121.385 120.300 -0.140 0.000 2.207 48 Y HA -0.243 4.307 4.550 0.000 0.000 0.287 48 Y C 1.826 177.645 175.900 -0.135 0.000 1.156 48 Y CA 1.916 59.943 58.100 -0.122 0.000 1.182 48 Y CB -0.448 37.946 38.460 -0.110 0.000 0.979 48 Y HN 0.340 nan 8.280 nan 0.000 0.521 49 H N -0.751 118.129 119.070 -0.316 0.000 2.423 49 H HA -0.059 4.498 4.556 0.000 0.000 0.297 49 H C 1.991 177.101 175.328 -0.364 0.000 1.075 49 H CA 1.104 56.901 56.048 -0.418 0.000 1.342 49 H CB 0.114 29.754 29.762 -0.203 0.000 1.395 49 H HN 0.288 nan 8.280 nan 0.000 0.530 50 K N 0.397 120.711 120.400 -0.145 0.000 2.167 50 K HA -0.016 4.304 4.320 0.000 0.000 0.203 50 K C 1.928 178.398 176.600 -0.217 0.000 1.052 50 K CA 0.710 56.906 56.287 -0.151 0.000 0.956 50 K CB 0.250 32.690 32.500 -0.101 0.000 0.735 50 K HN 0.241 nan 8.250 nan 0.000 0.451 51 I N 1.988 122.401 120.570 -0.261 0.000 2.193 51 I HA -0.291 3.879 4.170 0.000 0.000 0.240 51 I C 2.500 178.305 176.117 -0.521 0.000 1.084 51 I CA 1.261 62.393 61.300 -0.279 0.000 1.365 51 I CB -0.275 37.627 38.000 -0.163 0.000 1.064 51 I HN 0.167 nan 8.210 nan 0.000 0.410 52 K N 2.038 121.902 120.400 -0.893 0.000 2.057 52 K HA -0.126 4.194 4.320 0.000 0.000 0.207 52 K C 2.115 178.261 176.600 -0.758 0.000 1.049 52 K CA 1.588 57.027 56.287 -1.413 0.000 0.931 52 K CB -0.434 31.041 32.500 -1.708 0.000 0.714 52 K HN 0.218 nan 8.250 nan 0.000 0.440 53 A N 1.498 124.029 122.820 -0.483 0.000 2.024 53 A HA -0.162 4.158 4.320 0.000 0.000 0.220 53 A C 1.798 179.256 177.584 -0.211 0.000 1.164 53 A CA 1.437 53.298 52.037 -0.293 0.000 0.643 53 A CB -0.355 18.517 19.000 -0.213 0.000 0.806 53 A HN 0.589 nan 8.150 nan 0.000 0.451 54 Q N -1.330 118.345 119.800 -0.208 0.000 2.319 54 Q HA 0.339 4.679 4.340 0.000 0.000 0.202 54 Q C 0.120 176.088 176.000 -0.054 0.000 0.896 54 Q CA 0.086 55.817 55.803 -0.120 0.000 0.942 54 Q CB 0.363 29.035 28.738 -0.110 0.000 1.083 54 Q HN 0.564 nan 8.270 nan 0.000 0.510 55 L N 1.306 122.499 121.223 -0.050 0.000 3.168 55 L HA 0.246 4.587 4.340 0.000 0.000 0.277 55 L C -0.020 177.028 176.870 0.297 0.000 1.308 55 L CA -0.415 54.519 54.840 0.156 0.000 0.976 55 L CB 0.363 42.543 42.059 0.202 0.000 1.383 55 L HN 0.018 nan 8.230 nan 0.000 0.572 56 N N 1.982 120.740 118.700 0.097 0.000 2.895 56 N HA 0.075 4.815 4.740 0.000 0.000 0.277 56 N C -0.814 174.651 175.510 -0.076 0.000 1.185 56 N CA 0.006 53.071 53.050 0.026 0.000 1.106 56 N CB -0.205 38.231 38.487 -0.085 0.000 1.422 56 N HN 0.381 nan 8.380 nan 0.000 0.521 57 Y N -1.237 118.870 120.300 -0.321 0.000 2.638 57 Y HA 0.437 4.987 4.550 0.000 0.000 0.339 57 Y C 0.426 176.087 175.900 -0.399 0.000 1.084 57 Y CA -1.535 56.221 58.100 -0.574 0.000 1.068 57 Y CB 0.305 38.535 38.460 -0.384 0.000 1.294 57 Y HN 0.035 nan 8.280 nan 0.000 0.480 58 W N 0.466 121.674 121.300 -0.154 0.000 2.317 58 W HA -0.181 4.479 4.660 0.000 0.000 0.318 58 W C 2.343 178.615 176.519 -0.412 0.000 1.227 58 W CA 2.104 59.322 57.345 -0.211 0.000 1.269 58 W CB -1.058 28.355 29.460 -0.078 0.000 1.155 58 W HN 0.622 nan 8.180 nan 0.000 0.484 59 S N 0.503 115.933 115.700 -0.451 0.000 2.392 59 S HA -0.251 4.219 4.470 0.000 0.000 0.232 59 S C 1.816 176.095 174.600 -0.534 0.000 1.041 59 S CA 1.774 59.676 58.200 -0.497 0.000 1.026 59 S CB -0.836 62.069 63.200 -0.492 0.000 0.845 59 S HN 0.363 nan 8.310 nan 0.000 0.465 60 A N 0.176 122.490 122.820 -0.843 0.000 2.303 60 A HA 0.320 4.641 4.320 0.000 0.000 0.217 60 A C 1.840 178.955 177.584 -0.783 0.000 1.205 60 A CA 0.015 51.573 52.037 -0.798 0.000 0.875 60 A CB -0.039 18.400 19.000 -0.935 0.000 0.910 60 A HN 0.329 nan 8.150 nan 0.000 0.501 61 K N 0.576 120.713 120.400 -0.438 0.000 2.057 61 K HA -0.117 4.203 4.320 0.000 0.000 0.207 61 K C 2.108 178.597 176.600 -0.186 0.000 1.049 61 K CA 1.864 58.024 56.287 -0.211 0.000 0.931 61 K CB -0.050 32.374 32.500 -0.126 0.000 0.714 61 K HN 0.542 nan 8.250 nan 0.000 0.440 62 S N 1.357 116.930 115.700 -0.212 0.000 2.387 62 S HA -0.088 4.382 4.470 0.000 0.000 0.226 62 S C 1.828 176.321 174.600 -0.179 0.000 1.026 62 S CA 0.599 58.712 58.200 -0.145 0.000 0.972 62 S CB -0.284 62.836 63.200 -0.133 0.000 0.814 62 S HN 0.230 nan 8.310 nan 0.000 0.477 63 L N 0.493 121.507 121.223 -0.349 0.000 1.971 63 L HA -0.164 4.176 4.340 0.000 0.000 0.215 63 L C 2.366 179.166 176.870 -0.117 0.000 1.072 63 L CA 1.973 56.593 54.840 -0.366 0.000 0.758 63 L CB -0.459 41.197 42.059 -0.672 0.000 0.889 63 L HN 0.473 nan 8.230 nan 0.000 0.433 64 W N -0.539 120.816 121.300 0.093 0.000 2.363 64 W HA -0.175 4.485 4.660 0.000 0.000 0.296 64 W C 2.638 179.214 176.519 0.095 0.000 1.212 64 W CA 0.324 57.749 57.345 0.133 0.000 1.260 64 W CB -0.624 28.869 29.460 0.056 0.000 1.131 64 W HN 0.244 nan 8.180 nan 0.000 0.530 65 A N 1.269 124.204 122.820 0.193 0.000 1.908 65 A HA -0.254 4.066 4.320 0.000 0.000 0.218 65 A C 1.882 179.532 177.584 0.110 0.000 1.181 65 A CA 2.190 54.300 52.037 0.122 0.000 0.627 65 A CB -0.751 18.283 19.000 0.057 0.000 0.818 65 A HN 0.320 nan 8.150 nan 0.000 0.445 66 K N -0.469 119.976 120.400 0.075 0.000 1.985 66 K HA -0.028 4.292 4.320 0.000 0.000 0.210 66 K C 1.937 178.602 176.600 0.109 0.000 1.047 66 K CA 1.504 57.828 56.287 0.062 0.000 0.932 66 K CB -0.422 32.083 32.500 0.009 0.000 0.716 66 K HN 0.451 nan 8.250 nan 0.000 0.439 67 L N 1.187 122.513 121.223 0.171 0.000 2.042 67 L HA -0.257 4.083 4.340 0.000 0.000 0.210 67 L C 1.891 178.878 176.870 0.195 0.000 1.076 67 L CA 1.211 56.162 54.840 0.185 0.000 0.749 67 L CB -0.527 41.710 42.059 0.297 0.000 0.893 67 L HN 0.249 nan 8.230 nan 0.000 0.432 68 D N -0.221 120.340 120.400 0.269 0.000 2.144 68 D HA -0.185 4.455 4.640 0.000 0.000 0.200 68 D C 2.084 178.472 176.300 0.147 0.000 0.978 68 D CA 0.971 55.105 54.000 0.224 0.000 0.833 68 D CB -0.077 40.848 40.800 0.210 0.000 0.961 68 D HN 0.229 nan 8.370 nan 0.000 0.470 69 K N 0.789 121.265 120.400 0.127 0.000 2.009 69 K HA -0.194 4.126 4.320 0.000 0.000 0.210 69 K C 2.184 178.853 176.600 0.115 0.000 1.049 69 K CA 1.068 57.418 56.287 0.105 0.000 0.929 69 K CB 0.079 32.631 32.500 0.088 0.000 0.714 69 K HN -0.132 nan 8.250 nan 0.000 0.440 70 R N 0.499 121.062 120.500 0.106 0.000 2.094 70 R HA -0.119 4.222 4.340 0.000 0.000 0.239 70 R C 2.066 178.430 176.300 0.108 0.000 1.137 70 R CA 1.955 58.123 56.100 0.114 0.000 0.943 70 R CB -0.733 29.600 30.300 0.055 0.000 0.850 70 R HN 0.338 nan 8.270 nan 0.000 0.433 71 A N -0.474 122.364 122.820 0.030 0.000 2.070 71 A HA -0.121 4.199 4.320 0.000 0.000 0.220 71 A C 1.896 179.569 177.584 0.148 0.000 1.159 71 A CA 1.702 53.717 52.037 -0.037 0.000 0.656 71 A CB -0.562 18.453 19.000 0.025 0.000 0.800 71 A HN 0.557 nan 8.150 nan 0.000 0.453 72 S N -0.751 115.053 115.700 0.172 0.000 2.575 72 S HA 0.102 4.572 4.470 0.000 0.000 0.215 72 S C 0.438 175.148 174.600 0.183 0.000 0.966 72 S CA -0.461 57.838 58.200 0.164 0.000 0.911 72 S CB -0.130 63.138 63.200 0.112 0.000 0.780 72 S HN 0.473 nan 8.310 nan 0.000 0.514 73 Q N 2.218 122.173 119.800 0.258 0.000 2.349 73 Q HA 0.175 4.515 4.340 0.000 0.000 0.287 73 Q C -1.689 174.365 176.000 0.091 0.000 1.044 73 Q CA -1.560 54.339 55.803 0.161 0.000 0.918 73 Q CB -0.060 28.755 28.738 0.128 0.000 1.242 73 Q HN 0.168 nan 8.270 nan 0.000 0.405 74 P HA -0.185 nan 4.420 nan 0.000 0.216 74 P C 1.452 178.728 177.300 -0.040 0.000 1.150 74 P CA 0.802 63.907 63.100 0.009 0.000 0.843 74 P CB 0.118 31.816 31.700 -0.003 0.000 0.787 75 V N -1.110 118.708 119.914 -0.161 0.000 2.363 75 V HA -0.285 3.835 4.120 0.000 0.000 0.254 75 V C 1.776 177.717 176.094 -0.255 0.000 1.074 75 V CA 1.948 64.088 62.300 -0.267 0.000 1.069 75 V CB -1.113 30.447 31.823 -0.438 0.000 0.659 75 V HN 0.129 nan 8.190 nan 0.000 0.455 76 Y N -0.267 120.064 120.300 0.052 0.000 2.511 76 Y HA 0.180 4.730 4.550 0.000 0.000 0.279 76 Y C 1.497 177.426 175.900 0.048 0.000 1.157 76 Y CA 0.240 58.370 58.100 0.051 0.000 1.300 76 Y CB -0.234 38.257 38.460 0.053 0.000 1.052 76 Y HN 0.380 nan 8.280 nan 0.000 0.529 77 Q N 0.458 120.342 119.800 0.139 0.000 2.416 77 Q HA -0.361 3.979 4.340 0.000 0.000 0.319 77 Q C -0.391 175.682 176.000 0.123 0.000 1.318 77 Q CA 0.597 56.462 55.803 0.103 0.000 0.915 77 Q CB -1.985 26.794 28.738 0.069 0.000 1.184 77 Q HN 0.516 nan 8.270 nan 0.000 0.444 78 Q N -2.595 117.297 119.800 0.153 0.000 2.457 78 Q HA -0.255 4.086 4.340 0.000 0.000 0.283 78 Q C 0.932 177.018 176.000 0.144 0.000 1.234 78 Q CA 2.136 58.022 55.803 0.138 0.000 0.877 78 Q CB -2.205 26.590 28.738 0.094 0.000 1.250 78 Q HN 1.153 nan 8.270 nan 0.000 0.481 79 G N -1.822 107.074 108.800 0.160 0.000 2.157 79 G HA2 -0.335 3.625 3.960 0.000 0.000 0.248 79 G HA3 -0.335 3.625 3.960 0.000 0.000 0.248 79 G C 0.551 175.518 174.900 0.112 0.000 0.979 79 G CA 0.335 45.515 45.100 0.132 0.000 0.650 79 G HN 0.283 nan 8.290 nan 0.000 0.529 80 Q N -0.716 119.149 119.800 0.107 0.000 2.281 80 Q HA 0.478 4.818 4.340 0.000 0.000 0.215 80 Q C 2.623 178.667 176.000 0.074 0.000 0.867 80 Q CA 0.973 56.825 55.803 0.082 0.000 0.940 80 Q CB 0.325 29.104 28.738 0.067 0.000 1.111 80 Q HN 0.786 nan 8.270 nan 0.000 0.513 81 A N 0.054 122.929 122.820 0.091 0.000 1.908 81 A HA -0.153 4.167 4.320 0.000 0.000 0.218 81 A C 1.556 179.177 177.584 0.062 0.000 1.181 81 A CA 1.323 53.401 52.037 0.069 0.000 0.627 81 A CB -0.189 18.860 19.000 0.081 0.000 0.818 81 A HN 0.395 nan 8.150 nan 0.000 0.445 82 C N -0.211 119.137 119.300 0.080 0.000 2.778 82 C HA 0.270 4.730 4.460 0.000 0.000 0.252 82 C C 2.061 177.101 174.990 0.082 0.000 1.693 82 C CA -0.057 59.010 59.018 0.083 0.000 1.724 82 C CB -1.344 26.454 27.740 0.097 0.000 3.153 82 C HN 0.729 nan 8.230 nan 0.000 0.493 83 T N -1.716 112.880 114.554 0.070 0.000 2.881 83 T HA -0.167 4.183 4.350 0.000 0.000 0.270 83 T C 0.982 175.723 174.700 0.070 0.000 1.068 83 T CA 1.539 63.679 62.100 0.067 0.000 1.131 83 T CB -0.320 68.582 68.868 0.057 0.000 0.871 83 T HN 0.620 nan 8.240 nan 0.000 0.479 84 N N 0.683 119.423 118.700 0.067 0.000 2.251 84 N HA 0.157 4.897 4.740 0.000 0.000 0.217 84 N C -0.713 174.855 175.510 0.098 0.000 1.124 84 N CA -0.105 52.987 53.050 0.070 0.000 0.843 84 N CB 0.536 39.050 38.487 0.046 0.000 1.024 84 N HN 0.267 nan 8.380 nan 0.000 0.501 85 T N 0.629 115.254 114.554 0.119 0.000 2.829 85 T HA 0.352 4.703 4.350 0.000 0.000 0.282 85 T C -0.227 174.569 174.700 0.160 0.000 0.990 85 T CA -0.391 61.805 62.100 0.159 0.000 1.028 85 T CB 1.452 70.425 68.868 0.176 0.000 0.951 85 T HN -0.046 nan 8.240 nan 0.000 0.460 86 K N 1.816 122.325 120.400 0.182 0.000 2.413 86 K HA 0.598 4.919 4.320 0.000 0.000 0.257 86 K C -1.107 175.639 176.600 0.243 0.000 0.946 86 K CA -0.671 55.750 56.287 0.223 0.000 0.823 86 K CB 1.426 34.037 32.500 0.185 0.000 1.109 86 K HN 0.547 nan 8.250 nan 0.000 0.427 87 C N 2.567 122.010 119.300 0.237 0.000 2.435 87 C HA 0.548 5.008 4.460 0.000 0.000 0.333 87 C C -0.568 174.484 174.990 0.105 0.000 1.202 87 C CA -0.966 58.123 59.018 0.118 0.000 1.830 87 C CB 0.408 28.166 27.740 0.030 0.000 2.326 87 C HN 0.721 nan 8.230 nan 0.000 0.507 88 L N 3.124 124.221 121.223 -0.211 0.000 2.319 88 L HA 0.645 4.985 4.340 0.000 0.000 0.281 88 L C -0.585 176.079 176.870 -0.344 0.000 1.005 88 L CA 0.068 54.699 54.840 -0.348 0.000 0.828 88 L CB 1.198 42.725 42.059 -0.887 0.000 1.227 88 L HN 0.579 nan 8.230 nan 0.000 0.415 89 V N 5.936 125.703 119.914 -0.245 0.000 2.432 89 V HA 0.371 4.491 4.120 0.000 0.000 0.275 89 V C -0.087 175.841 176.094 -0.276 0.000 1.043 89 V CA -0.628 61.523 62.300 -0.248 0.000 0.925 89 V CB 1.483 33.193 31.823 -0.190 0.000 0.985 89 V HN 0.491 nan 8.190 nan 0.000 0.466 90 V N 4.419 124.141 119.914 -0.320 0.000 2.350 90 V HA 0.858 4.978 4.120 0.000 0.000 0.276 90 V C 0.585 176.546 176.094 -0.223 0.000 1.028 90 V CA 0.319 62.436 62.300 -0.305 0.000 0.860 90 V CB 0.591 32.150 31.823 -0.440 0.000 0.990 90 V HN 1.281 nan 8.190 nan 0.000 0.453 91 G N 4.092 112.775 108.800 -0.195 0.000 3.226 91 G HA2 0.299 4.259 3.960 0.000 0.000 0.685 91 G HA3 0.299 4.259 3.960 0.000 0.000 0.685 91 G C -0.224 174.590 174.900 -0.143 0.000 1.207 91 G CA -0.351 44.662 45.100 -0.145 0.000 0.877 91 G HN 1.406 nan 8.290 nan 0.000 0.585 92 A N 1.713 124.468 122.820 -0.108 0.000 3.181 92 A HA 0.747 5.068 4.320 0.000 0.000 0.293 92 A C 1.374 178.931 177.584 -0.045 0.000 1.346 92 A CA 1.012 53.009 52.037 -0.065 0.000 1.018 92 A CB -0.310 18.697 19.000 0.012 0.000 1.093 92 A HN 2.106 nan 8.150 nan 0.000 0.629 93 G N -0.055 108.693 108.800 -0.086 0.000 2.616 93 G HA2 0.405 4.365 3.960 0.000 0.000 0.268 93 G HA3 0.405 4.365 3.960 0.000 0.000 0.268 93 G C -1.279 173.532 174.900 -0.149 0.000 1.213 93 G CA -1.147 43.878 45.100 -0.124 0.000 0.926 93 G HN 0.158 nan 8.290 nan 0.000 0.523 94 P HA -0.138 nan 4.420 nan 0.000 0.216 94 P C 1.809 179.121 177.300 0.021 0.000 1.154 94 P CA 1.450 64.510 63.100 -0.068 0.000 0.865 94 P CB 0.136 31.795 31.700 -0.068 0.000 0.789 95 C N -1.981 117.316 119.300 -0.005 0.000 2.467 95 C HA 0.114 4.575 4.460 0.000 0.000 0.279 95 C C 2.897 177.823 174.990 -0.107 0.000 1.347 95 C CA 1.000 60.010 59.018 -0.014 0.000 1.748 95 C CB -1.782 25.949 27.740 -0.016 0.000 1.977 95 C HN 0.295 nan 8.230 nan 0.000 0.501 96 G N 0.778 109.509 108.800 -0.115 0.000 2.402 96 G HA2 -0.103 3.857 3.960 0.000 0.000 0.216 96 G HA3 -0.103 3.857 3.960 0.000 0.000 0.216 96 G C 1.572 176.383 174.900 -0.148 0.000 1.162 96 G CA 0.499 45.517 45.100 -0.138 0.000 0.777 96 G HN 0.491 nan 8.290 nan 0.000 0.539 97 L N -0.186 120.949 121.223 -0.147 0.000 2.017 97 L HA -0.061 4.279 4.340 0.000 0.000 0.208 97 L C 2.915 179.675 176.870 -0.182 0.000 1.073 97 L CA 1.362 56.110 54.840 -0.153 0.000 0.745 97 L CB -0.346 41.623 42.059 -0.150 0.000 0.894 97 L HN 0.140 nan 8.230 nan 0.000 0.432 98 R N 0.587 120.940 120.500 -0.245 0.000 2.091 98 R HA -0.145 4.195 4.340 0.000 0.000 0.238 98 R C 2.229 178.381 176.300 -0.247 0.000 1.136 98 R CA 1.709 57.581 56.100 -0.379 0.000 0.959 98 R CB -0.675 29.114 30.300 -0.853 0.000 0.856 98 R HN 0.339 nan 8.270 nan 0.000 0.437 99 A N 0.168 122.869 122.820 -0.199 0.000 1.902 99 A HA -0.078 4.242 4.320 0.000 0.000 0.217 99 A C 2.381 179.918 177.584 -0.078 0.000 1.181 99 A CA 1.888 53.859 52.037 -0.110 0.000 0.623 99 A CB -1.132 17.800 19.000 -0.114 0.000 0.818 99 A HN 0.488 nan 8.150 nan 0.000 0.443 100 A N -0.700 122.056 122.820 -0.107 0.000 1.933 100 A HA -0.001 4.319 4.320 0.000 0.000 0.218 100 A C 2.221 179.754 177.584 -0.085 0.000 1.175 100 A CA 1.761 53.741 52.037 -0.096 0.000 0.628 100 A CB -0.868 18.061 19.000 -0.118 0.000 0.814 100 A HN 0.388 nan 8.150 nan 0.000 0.444 101 V N 0.154 120.008 119.914 -0.100 0.000 2.343 101 V HA -0.195 3.925 4.120 0.000 0.000 0.247 101 V C 2.585 178.639 176.094 -0.066 0.000 1.051 101 V CA 2.124 64.364 62.300 -0.100 0.000 1.036 101 V CB -0.597 31.158 31.823 -0.113 0.000 0.654 101 V HN 0.512 nan 8.190 nan 0.000 0.451 102 E N 0.035 120.233 120.200 -0.002 0.000 2.072 102 E HA -0.101 4.249 4.350 0.000 0.000 0.190 102 E C 2.213 178.863 176.600 0.083 0.000 0.982 102 E CA 0.980 57.435 56.400 0.093 0.000 0.803 102 E CB -0.327 29.498 29.700 0.208 0.000 0.755 102 E HN 0.509 nan 8.360 nan 0.000 0.453 103 L N 0.607 121.856 121.223 0.043 0.000 2.131 103 L HA -0.159 4.181 4.340 0.000 0.000 0.210 103 L C 2.517 179.398 176.870 0.018 0.000 1.092 103 L CA 1.030 55.895 54.840 0.042 0.000 0.759 103 L CB -0.583 41.484 42.059 0.012 0.000 0.903 103 L HN 0.048 nan 8.230 nan 0.000 0.435 104 A N 0.551 123.354 122.820 -0.029 0.000 1.851 104 A HA -0.201 4.120 4.320 0.000 0.000 0.216 104 A C 2.239 179.773 177.584 -0.084 0.000 1.195 104 A CA 1.606 53.608 52.037 -0.058 0.000 0.622 104 A CB -0.865 18.077 19.000 -0.095 0.000 0.831 104 A HN 0.353 nan 8.150 nan 0.000 0.444 105 L N -0.678 120.442 121.223 -0.171 0.000 2.127 105 L HA -0.184 4.156 4.340 0.000 0.000 0.211 105 L C 2.313 179.095 176.870 -0.147 0.000 1.089 105 L CA 0.902 55.533 54.840 -0.349 0.000 0.757 105 L CB -0.514 41.043 42.059 -0.836 0.000 0.899 105 L HN 0.369 nan 8.230 nan 0.000 0.434 106 L N -0.413 120.875 121.223 0.108 0.000 2.456 106 L HA -0.034 4.306 4.340 0.000 0.000 0.224 106 L C 1.587 178.536 176.870 0.131 0.000 1.148 106 L CA 0.778 55.758 54.840 0.233 0.000 0.825 106 L CB -0.523 41.664 42.059 0.213 0.000 0.937 106 L HN 0.534 nan 8.230 nan 0.000 0.450 107 G N -0.673 108.172 108.800 0.075 0.000 2.157 107 G HA2 -0.247 3.713 3.960 0.000 0.000 0.239 107 G HA3 -0.247 3.713 3.960 0.000 0.000 0.239 107 G C 0.372 175.311 174.900 0.065 0.000 0.982 107 G CA -0.032 45.106 45.100 0.064 0.000 0.650 107 G HN 0.515 nan 8.290 nan 0.000 0.527 108 A N -0.320 122.541 122.820 0.069 0.000 2.332 108 A HA 0.752 5.072 4.320 0.000 0.000 0.258 108 A C 0.743 178.371 177.584 0.074 0.000 1.087 108 A CA 0.467 52.553 52.037 0.081 0.000 0.802 108 A CB 0.334 19.385 19.000 0.085 0.000 1.042 108 A HN 1.083 nan 8.150 nan 0.000 0.489 109 R N 1.025 121.588 120.500 0.105 0.000 2.288 109 R HA 0.404 4.744 4.340 0.000 0.000 0.330 109 R C -1.362 175.014 176.300 0.128 0.000 1.069 109 R CA 0.290 56.462 56.100 0.122 0.000 0.941 109 R CB -0.318 30.096 30.300 0.190 0.000 0.998 109 R HN 0.361 nan 8.270 nan 0.000 0.452 110 V N 5.897 125.843 119.914 0.053 0.000 2.378 110 V HA 0.406 4.526 4.120 0.000 0.000 0.288 110 V C -0.405 175.657 176.094 -0.054 0.000 1.016 110 V CA -0.878 61.430 62.300 0.012 0.000 0.840 110 V CB 1.624 33.431 31.823 -0.026 0.000 0.994 110 V HN 0.496 nan 8.190 nan 0.000 0.431 111 V N 6.194 126.058 119.914 -0.083 0.000 2.513 111 V HA 0.578 4.698 4.120 0.000 0.000 0.299 111 V C -0.376 175.633 176.094 -0.142 0.000 1.035 111 V CA -0.607 61.582 62.300 -0.184 0.000 0.889 111 V CB 1.998 33.538 31.823 -0.471 0.000 0.988 111 V HN 0.746 nan 8.190 nan 0.000 0.440 112 L N 5.787 126.914 121.223 -0.160 0.000 2.385 112 L HA 0.820 5.160 4.340 0.000 0.000 0.273 112 L C -0.700 176.046 176.870 -0.207 0.000 0.990 112 L CA -0.590 54.132 54.840 -0.197 0.000 0.821 112 L CB 2.007 43.926 42.059 -0.235 0.000 1.279 112 L HN 0.605 nan 8.230 nan 0.000 0.412 113 V N 1.135 120.935 119.914 -0.191 0.000 2.667 113 V HA 0.837 4.957 4.120 0.000 0.000 0.308 113 V C -0.850 175.100 176.094 -0.240 0.000 1.048 113 V CA -0.491 61.701 62.300 -0.179 0.000 0.928 113 V CB 1.656 33.440 31.823 -0.067 0.000 1.004 113 V HN 0.861 nan 8.190 nan 0.000 0.444 114 E N 2.684 122.718 120.200 -0.277 0.000 2.290 114 E HA 0.409 4.759 4.350 0.000 0.000 0.274 114 E C 0.424 176.977 176.600 -0.078 0.000 0.889 114 E CA -0.347 55.917 56.400 -0.226 0.000 0.760 114 E CB 2.298 31.752 29.700 -0.411 0.000 1.206 114 E HN 0.830 nan 8.360 nan 0.000 0.419 115 K N 3.335 123.718 120.400 -0.028 0.000 2.155 115 K HA 0.137 4.457 4.320 0.000 0.000 0.203 115 K C 0.458 177.099 176.600 0.069 0.000 1.052 115 K CA 0.357 56.652 56.287 0.013 0.000 0.948 115 K CB 0.244 32.736 32.500 -0.014 0.000 0.728 115 K HN 0.289 nan 8.250 nan 0.000 0.448 116 R N 0.468 121.033 120.500 0.109 0.000 2.541 116 R HA 0.232 4.573 4.340 0.000 0.000 0.263 116 R C 1.007 177.455 176.300 0.247 0.000 1.112 116 R CA -0.182 56.004 56.100 0.143 0.000 1.170 116 R CB 0.549 30.930 30.300 0.135 0.000 1.167 116 R HN 0.283 nan 8.270 nan 0.000 0.582 117 I N -2.657 117.984 120.570 0.118 0.000 4.154 117 I HA 0.266 4.437 4.170 0.000 0.000 0.334 117 I C -0.121 175.812 176.117 -0.306 0.000 1.371 117 I CA 0.051 61.353 61.300 0.003 0.000 1.110 117 I CB 0.174 38.153 38.000 -0.035 0.000 1.085 117 I HN 0.431 nan 8.210 nan 0.000 0.398 118 K N 0.361 120.602 120.400 -0.265 0.000 2.571 118 K HA 0.513 4.833 4.320 0.000 0.000 0.289 118 K C -1.726 174.694 176.600 -0.301 0.000 1.028 118 K CA -0.727 55.292 56.287 -0.446 0.000 0.895 118 K CB 0.988 33.334 32.500 -0.258 0.000 1.534 118 K HN -0.040 nan 8.250 nan 0.000 0.421 119 F N 1.908 121.801 119.950 -0.094 0.000 2.347 119 F HA 0.240 4.768 4.527 0.000 0.000 0.366 119 F C 0.728 176.449 175.800 -0.132 0.000 1.107 119 F CA -0.901 57.048 58.000 -0.086 0.000 1.058 119 F CB 2.062 41.004 39.000 -0.097 0.000 1.236 119 F HN 0.798 nan 8.300 nan 0.000 0.456 120 S N 1.495 117.217 115.700 0.036 0.000 2.559 120 S HA 0.251 4.721 4.470 0.000 0.000 0.226 120 S C 0.482 174.909 174.600 -0.289 0.000 1.000 120 S CA -0.538 57.585 58.200 -0.129 0.000 0.948 120 S CB 0.109 63.261 63.200 -0.080 0.000 0.870 120 S HN 0.501 nan 8.310 nan 0.000 0.497 121 R N 1.482 121.873 120.500 -0.181 0.000 2.265 121 R HA 0.332 4.672 4.340 0.000 0.000 0.314 121 R C 0.292 176.468 176.300 -0.206 0.000 1.053 121 R CA -0.310 55.686 56.100 -0.173 0.000 0.931 121 R CB 0.300 30.538 30.300 -0.104 0.000 1.024 121 R HN 0.350 nan 8.270 nan 0.000 0.457 122 H N 0.916 119.986 119.070 0.001 0.000 2.592 122 H HA 0.079 4.635 4.556 0.000 0.000 0.265 122 H C 0.041 175.330 175.328 -0.065 0.000 0.955 122 H CA 0.067 56.109 56.048 -0.009 0.000 1.175 122 H CB 0.376 30.173 29.762 0.059 0.000 1.433 122 H HN 0.565 nan 8.280 nan 0.000 0.537 123 N N 0.843 119.551 118.700 0.014 0.000 2.416 123 N HA 0.079 4.820 4.740 0.000 0.000 0.246 123 N C -0.505 174.700 175.510 -0.509 0.000 1.260 123 N CA -0.061 52.892 53.050 -0.161 0.000 0.897 123 N CB 1.323 39.740 38.487 -0.117 0.000 1.110 123 N HN -0.145 nan 8.380 nan 0.000 0.439 124 V N 2.930 122.175 119.914 -1.115 0.000 2.483 124 V HA 0.366 4.486 4.120 0.000 0.000 0.295 124 V C 0.060 175.825 176.094 -0.547 0.000 1.035 124 V CA -0.624 61.207 62.300 -0.781 0.000 0.896 124 V CB 1.471 32.833 31.823 -0.770 0.000 0.986 124 V HN 0.438 nan 8.190 nan 0.000 0.447 125 L N 3.586 124.581 121.223 -0.380 0.000 2.313 125 L HA 0.497 4.838 4.340 0.000 0.000 0.283 125 L C -0.299 176.436 176.870 -0.225 0.000 1.013 125 L CA -0.799 53.866 54.840 -0.291 0.000 0.816 125 L CB 1.537 43.394 42.059 -0.335 0.000 1.236 125 L HN 0.708 nan 8.230 nan 0.000 0.419 126 H N 3.792 122.747 119.070 -0.192 0.000 2.764 126 H HA 0.371 4.927 4.556 0.000 0.000 0.341 126 H C -0.996 174.234 175.328 -0.165 0.000 1.072 126 H CA 0.182 56.147 56.048 -0.139 0.000 1.444 126 H CB 0.666 30.457 29.762 0.049 0.000 1.458 126 H HN 0.384 nan 8.280 nan 0.000 0.572 127 L N 5.455 126.225 121.223 -0.755 0.000 2.313 127 L HA 0.232 4.572 4.340 0.000 0.000 0.283 127 L C -0.483 176.082 176.870 -0.508 0.000 1.013 127 L CA -0.991 53.487 54.840 -0.603 0.000 0.816 127 L CB 0.889 42.670 42.059 -0.463 0.000 1.236 127 L HN 0.559 nan 8.230 nan 0.000 0.419 128 W N 3.438 124.436 121.300 -0.502 0.000 2.161 128 W HA 0.279 4.939 4.660 0.001 0.000 0.344 128 W C -1.353 175.005 176.519 -0.268 0.000 1.262 128 W CA -2.020 55.167 57.345 -0.264 0.000 1.270 128 W CB -0.384 29.039 29.460 -0.062 0.000 1.126 128 W HN 0.339 nan 8.180 nan 0.000 0.598 129 P HA -0.274 nan 4.420 nan 0.000 0.216 129 P C 1.597 178.927 177.300 0.051 0.000 1.154 129 P CA 1.988 65.116 63.100 0.047 0.000 0.865 129 P CB -0.247 31.487 31.700 0.057 0.000 0.789 130 F N -0.905 119.085 119.950 0.067 0.000 2.293 130 F HA -0.078 4.449 4.527 0.000 0.000 0.300 130 F C 1.621 177.501 175.800 0.134 0.000 1.086 130 F CA 1.443 59.434 58.000 -0.016 0.000 1.375 130 F CB -1.900 37.039 39.000 -0.101 0.000 1.045 130 F HN -0.204 nan 8.300 nan 0.000 0.516 131 T N 1.655 115.775 114.554 -0.725 0.000 2.809 131 T HA 0.009 4.359 4.350 0.000 0.000 0.260 131 T C 2.072 176.653 174.700 -0.197 0.000 1.039 131 T CA 1.633 63.367 62.100 -0.610 0.000 1.141 131 T CB -0.448 67.850 68.868 -0.950 0.000 0.869 131 T HN 0.301 nan 8.240 nan 0.000 0.437 132 I N 0.880 121.339 120.570 -0.185 0.000 2.118 132 I HA -0.286 3.884 4.170 0.000 0.000 0.241 132 I C 2.502 178.607 176.117 -0.019 0.000 1.070 132 I CA 1.917 63.156 61.300 -0.101 0.000 1.327 132 I CB -0.400 37.540 38.000 -0.099 0.000 1.034 132 I HN 0.346 nan 8.210 nan 0.000 0.405 133 H N 0.467 119.518 119.070 -0.033 0.000 2.321 133 H HA -0.245 4.311 4.556 0.000 0.000 0.300 133 H C 1.912 177.277 175.328 0.062 0.000 1.087 133 H CA 2.345 58.398 56.048 0.009 0.000 1.319 133 H CB -0.176 29.589 29.762 0.005 0.000 1.379 133 H HN 0.356 nan 8.280 nan 0.000 0.501 134 D N -0.254 120.262 120.400 0.194 0.000 2.092 134 D HA -0.176 4.465 4.640 0.000 0.000 0.193 134 D C 2.234 178.590 176.300 0.095 0.000 0.994 134 D CA 1.825 55.967 54.000 0.236 0.000 0.828 134 D CB -0.214 40.873 40.800 0.479 0.000 0.963 134 D HN 0.488 nan 8.370 nan 0.000 0.450 135 L N -0.246 121.031 121.223 0.090 0.000 2.046 135 L HA -0.087 4.253 4.340 0.000 0.000 0.208 135 L C 2.797 179.667 176.870 -0.000 0.000 1.077 135 L CA 0.941 55.821 54.840 0.067 0.000 0.747 135 L CB -0.448 41.643 42.059 0.053 0.000 0.896 135 L HN 0.045 nan 8.230 nan 0.000 0.432 136 R N 0.194 120.648 120.500 -0.077 0.000 2.091 136 R HA -0.148 4.192 4.340 0.000 0.000 0.238 136 R C 2.329 178.546 176.300 -0.138 0.000 1.136 136 R CA 1.472 57.501 56.100 -0.119 0.000 0.959 136 R CB -0.509 29.691 30.300 -0.167 0.000 0.856 136 R HN 0.359 nan 8.270 nan 0.000 0.437 137 A N 0.744 123.435 122.820 -0.216 0.000 2.121 137 A HA -0.037 4.283 4.320 0.000 0.000 0.218 137 A C 1.792 179.357 177.584 -0.032 0.000 1.154 137 A CA 0.844 52.789 52.037 -0.153 0.000 0.679 137 A CB -0.180 18.703 19.000 -0.195 0.000 0.795 137 A HN 0.188 nan 8.150 nan 0.000 0.458 138 L N -1.102 120.123 121.223 0.004 0.000 2.629 138 L HA 0.247 4.587 4.340 0.000 0.000 0.230 138 L C 1.454 178.399 176.870 0.125 0.000 1.151 138 L CA 0.445 55.325 54.840 0.066 0.000 0.924 138 L CB -0.118 41.984 42.059 0.071 0.000 1.137 138 L HN 0.531 nan 8.230 nan 0.000 0.457 139 G N -0.204 108.612 108.800 0.027 0.000 2.136 139 G HA2 -0.338 3.622 3.960 0.000 0.000 0.242 139 G HA3 -0.338 3.622 3.960 0.000 0.000 0.242 139 G C 1.048 175.876 174.900 -0.119 0.000 0.989 139 G CA 0.358 45.403 45.100 -0.091 0.000 0.682 139 G HN 0.427 nan 8.290 nan 0.000 0.522 140 A N -0.211 122.639 122.820 0.050 0.000 2.139 140 A HA 0.289 4.609 4.320 0.000 0.000 0.221 140 A C 2.742 180.332 177.584 0.010 0.000 1.159 140 A CA 2.441 54.557 52.037 0.133 0.000 0.662 140 A CB -0.594 18.464 19.000 0.096 0.000 0.796 140 A HN 1.907 nan 8.150 nan 0.000 0.463 141 A N -0.161 122.594 122.820 -0.108 0.000 1.902 141 A HA 0.165 4.485 4.320 0.000 0.000 0.217 141 A C 2.463 179.920 177.584 -0.211 0.000 1.181 141 A CA 1.908 53.857 52.037 -0.146 0.000 0.623 141 A CB -0.882 18.028 19.000 -0.150 0.000 0.818 141 A HN 1.065 nan 8.150 nan 0.000 0.443 142 A N -1.562 121.029 122.820 -0.383 0.000 1.968 142 A HA 0.121 4.441 4.320 0.000 0.000 0.217 142 A C 1.900 179.210 177.584 -0.456 0.000 1.169 142 A CA 1.215 52.942 52.037 -0.517 0.000 0.638 142 A CB -0.582 17.934 19.000 -0.807 0.000 0.812 142 A HN 0.529 nan 8.150 nan 0.000 0.446 143 F N -3.462 116.431 119.950 -0.095 0.000 2.530 143 F HA 0.210 4.737 4.527 0.000 0.000 0.292 143 F C 0.553 176.358 175.800 0.009 0.000 1.109 143 F CA 0.168 58.104 58.000 -0.108 0.000 1.450 143 F CB 0.421 39.346 39.000 -0.125 0.000 1.114 143 F HN 0.228 nan 8.300 nan 0.000 0.560 144 Y N 0.471 120.780 120.300 0.015 0.000 2.317 144 Y HA 0.434 4.984 4.550 0.000 0.000 0.325 144 Y C 0.725 176.593 175.900 -0.053 0.000 1.066 144 Y CA -1.961 56.127 58.100 -0.020 0.000 1.203 144 Y CB 1.116 39.564 38.460 -0.019 0.000 1.127 144 Y HN 0.015 nan 8.280 nan 0.000 0.451 145 G N 4.162 112.828 108.800 -0.224 0.000 2.450 145 G HA2 -0.058 3.903 3.960 0.000 0.000 0.220 145 G HA3 -0.058 3.903 3.960 0.000 0.000 0.220 145 G C 0.244 174.828 174.900 -0.525 0.000 1.130 145 G CA 0.761 45.684 45.100 -0.296 0.000 0.760 145 G HN 0.765 nan 8.290 nan 0.000 0.557 153 D N -0.618 119.601 120.400 -0.302 0.000 4.383 153 D HA -0.018 4.623 4.640 0.000 0.000 0.154 153 D C -0.553 175.539 176.300 -0.347 0.000 0.416 153 D CA 0.260 54.088 54.000 -0.286 0.000 0.604 153 D CB -0.624 40.101 40.800 -0.125 0.000 1.641 153 D HN 0.744 nan 8.370 nan 0.000 0.062 154 H N -0.369 118.494 119.070 -0.345 0.000 3.016 154 H HA 0.858 5.414 4.556 0.000 0.000 0.362 154 H C -1.425 173.719 175.328 -0.307 0.000 1.233 154 H CA -0.967 54.818 56.048 -0.438 0.000 1.124 154 H CB 1.808 31.105 29.762 -0.775 0.000 1.850 154 H HN 0.154 nan 8.280 nan 0.000 0.549 155 I N 1.263 121.770 120.570 -0.105 0.000 2.842 155 I HA 0.390 4.560 4.170 0.000 0.000 0.297 155 I C -0.836 175.178 176.117 -0.172 0.000 1.380 155 I CA -0.636 60.612 61.300 -0.088 0.000 1.018 155 I CB 2.173 40.086 38.000 -0.145 0.000 1.311 155 I HN 1.033 nan 8.210 nan 0.000 0.439 156 S N 5.650 121.260 115.700 -0.149 0.000 2.585 156 S HA 0.312 4.783 4.470 0.000 0.000 0.273 156 S C 1.213 175.671 174.600 -0.238 0.000 1.339 156 S CA -0.460 57.627 58.200 -0.189 0.000 1.028 156 S CB 1.126 64.273 63.200 -0.087 0.000 0.906 156 S HN 0.585 nan 8.310 nan 0.000 0.528 157 I N 2.018 122.436 120.570 -0.252 0.000 2.087 157 I HA -0.327 3.843 4.170 0.000 0.000 0.240 157 I C 2.923 178.873 176.117 -0.279 0.000 1.054 157 I CA 2.284 63.422 61.300 -0.270 0.000 1.311 157 I CB -0.517 37.332 38.000 -0.251 0.000 1.024 157 I HN 0.841 nan 8.210 nan 0.000 0.402 158 R N 0.669 121.038 120.500 -0.218 0.000 2.105 158 R HA -0.209 4.131 4.340 0.000 0.000 0.239 158 R C 2.074 178.217 176.300 -0.261 0.000 1.135 158 R CA 1.275 57.256 56.100 -0.199 0.000 0.967 158 R CB -0.653 29.606 30.300 -0.069 0.000 0.861 158 R HN 0.377 nan 8.270 nan 0.000 0.442 159 Q N 0.867 120.489 119.800 -0.296 0.000 2.167 159 Q HA -0.086 4.254 4.340 0.000 0.000 0.202 159 Q C 2.117 177.830 176.000 -0.479 0.000 0.970 159 Q CA 0.995 56.510 55.803 -0.481 0.000 0.855 159 Q CB -0.243 28.039 28.738 -0.761 0.000 0.911 159 Q HN 0.334 nan 8.270 nan 0.000 0.438 160 L N 0.974 121.963 121.223 -0.391 0.000 2.109 160 L HA -0.136 4.204 4.340 0.000 0.000 0.207 160 L C 2.093 178.751 176.870 -0.353 0.000 1.086 160 L CA 1.622 56.269 54.840 -0.322 0.000 0.760 160 L CB -0.420 41.477 42.059 -0.270 0.000 0.910 160 L HN 0.134 nan 8.230 nan 0.000 0.437 161 Q N -0.632 118.866 119.800 -0.502 0.000 2.096 161 Q HA -0.216 4.124 4.340 0.000 0.000 0.204 161 Q C 2.293 177.939 176.000 -0.589 0.000 0.982 161 Q CA 1.978 57.308 55.803 -0.787 0.000 0.850 161 Q CB -0.344 27.398 28.738 -1.659 0.000 0.901 161 Q HN 0.513 nan 8.270 nan 0.000 0.422 162 L N 0.389 121.390 121.223 -0.370 0.000 2.046 162 L HA -0.204 4.137 4.340 0.000 0.000 0.208 162 L C 2.398 179.122 176.870 -0.243 0.000 1.077 162 L CA 0.920 55.686 54.840 -0.123 0.000 0.747 162 L CB -0.347 41.647 42.059 -0.108 0.000 0.896 162 L HN 0.313 nan 8.230 nan 0.000 0.432 163 L N -0.591 120.455 121.223 -0.294 0.000 2.072 163 L HA -0.171 4.169 4.340 0.000 0.000 0.205 163 L C 2.355 178.996 176.870 -0.382 0.000 1.079 163 L CA 1.235 55.878 54.840 -0.328 0.000 0.752 163 L CB 0.013 41.968 42.059 -0.173 0.000 0.906 163 L HN 0.184 nan 8.230 nan 0.000 0.436 164 L N -0.462 120.603 121.223 -0.262 0.000 2.291 164 L HA -0.162 4.178 4.340 0.000 0.000 0.214 164 L C 2.379 179.119 176.870 -0.216 0.000 1.120 164 L CA 0.300 55.008 54.840 -0.220 0.000 0.799 164 L CB -0.307 41.649 42.059 -0.172 0.000 0.925 164 L HN 0.346 nan 8.230 nan 0.000 0.446 165 L N -0.052 121.064 121.223 -0.179 0.000 2.093 165 L HA -0.168 4.172 4.340 0.000 0.000 0.208 165 L C 2.388 179.159 176.870 -0.166 0.000 1.085 165 L CA 1.771 56.580 54.840 -0.052 0.000 0.755 165 L CB -0.401 41.769 42.059 0.184 0.000 0.904 165 L HN 0.057 nan 8.230 nan 0.000 0.435 166 K N -1.074 119.104 120.400 -0.371 0.000 2.057 166 K HA -0.100 4.220 4.320 0.000 0.000 0.207 166 K C 1.943 178.344 176.600 -0.330 0.000 1.049 166 K CA 1.512 57.505 56.287 -0.491 0.000 0.931 166 K CB -0.279 31.434 32.500 -1.311 0.000 0.714 166 K HN 0.245 nan 8.250 nan 0.000 0.440 167 V N 1.304 120.976 119.914 -0.403 0.000 2.307 167 V HA -0.254 3.866 4.120 0.000 0.000 0.245 167 V C 2.327 178.353 176.094 -0.114 0.000 1.045 167 V CA 2.025 64.233 62.300 -0.153 0.000 1.024 167 V CB -0.669 31.084 31.823 -0.117 0.000 0.651 167 V HN 0.363 nan 8.190 nan 0.000 0.449 168 A N -0.010 122.723 122.820 -0.144 0.000 1.865 168 A HA -0.199 4.121 4.320 0.000 0.000 0.217 168 A C 2.223 179.723 177.584 -0.140 0.000 1.191 168 A CA 2.037 53.996 52.037 -0.130 0.000 0.623 168 A CB -0.672 18.258 19.000 -0.118 0.000 0.826 168 A HN 0.488 nan 8.150 nan 0.000 0.444 169 L N -0.864 120.234 121.223 -0.208 0.000 2.013 169 L HA -0.237 4.103 4.340 0.000 0.000 0.212 169 L C 2.588 179.258 176.870 -0.334 0.000 1.073 169 L CA 1.433 56.017 54.840 -0.426 0.000 0.753 169 L CB -0.611 40.921 42.059 -0.879 0.000 0.890 169 L HN 0.371 nan 8.230 nan 0.000 0.432 170 L N -1.020 120.136 121.223 -0.112 0.000 2.201 170 L HA -0.194 4.146 4.340 0.000 0.000 0.212 170 L C 1.884 178.861 176.870 0.178 0.000 1.105 170 L CA 0.462 55.450 54.840 0.247 0.000 0.775 170 L CB -0.209 42.151 42.059 0.501 0.000 0.913 170 L HN 0.245 nan 8.230 nan 0.000 0.440 171 L N -0.369 120.834 121.223 -0.034 0.000 2.591 171 L HA 0.211 4.552 4.340 0.000 0.000 0.228 171 L C 1.473 178.320 176.870 -0.039 0.000 1.133 171 L CA 0.914 55.672 54.840 -0.137 0.000 0.880 171 L CB -0.978 40.953 42.059 -0.214 0.000 1.033 171 L HN 0.371 nan 8.230 nan 0.000 0.450 172 G N -0.808 108.005 108.800 0.021 0.000 2.130 172 G HA2 -0.221 3.739 3.960 0.000 0.000 0.216 172 G HA3 -0.221 3.739 3.960 0.000 0.000 0.216 172 G C 0.249 175.144 174.900 -0.009 0.000 0.999 172 G CA 0.105 45.226 45.100 0.036 0.000 0.686 172 G HN 0.096 nan 8.290 nan 0.000 0.515 173 V N 0.817 120.705 119.914 -0.045 0.000 2.637 173 V HA 0.357 4.477 4.120 0.000 0.000 0.296 173 V C 0.854 176.898 176.094 -0.084 0.000 1.046 173 V CA 0.256 62.512 62.300 -0.074 0.000 1.066 173 V CB 1.712 33.477 31.823 -0.098 0.000 0.968 173 V HN 0.463 nan 8.190 nan 0.000 0.483 174 E N 5.229 125.361 120.200 -0.113 0.000 2.146 174 E HA 0.517 4.867 4.350 0.000 0.000 0.282 174 E C -1.177 175.255 176.600 -0.281 0.000 0.989 174 E CA -0.480 55.817 56.400 -0.172 0.000 0.799 174 E CB 0.873 30.481 29.700 -0.152 0.000 1.088 174 E HN 0.619 nan 8.360 nan 0.000 0.397 175 I N 4.424 124.773 120.570 -0.369 0.000 2.465 175 I HA 0.297 4.467 4.170 0.000 0.000 0.291 175 I C -0.469 175.246 176.117 -0.669 0.000 1.014 175 I CA -0.850 60.174 61.300 -0.459 0.000 1.093 175 I CB 1.686 39.478 38.000 -0.346 0.000 1.267 175 I HN 0.497 nan 8.210 nan 0.000 0.431 176 H N 4.237 123.047 119.070 -0.435 0.000 2.529 176 H HA 0.321 4.877 4.556 0.000 0.000 0.348 176 H C -1.465 173.570 175.328 -0.488 0.000 1.079 176 H CA -0.567 55.301 56.048 -0.301 0.000 1.198 176 H CB 1.711 31.380 29.762 -0.155 0.000 1.521 176 H HN 0.491 nan 8.280 nan 0.000 0.514 177 W N -0.307 121.028 121.300 0.058 0.000 2.647 177 W HA 0.429 5.089 4.660 0.000 0.000 0.353 177 W C 0.921 177.449 176.519 0.014 0.000 1.080 177 W CA -0.357 56.990 57.345 0.004 0.000 1.208 177 W CB 1.135 30.567 29.460 -0.046 0.000 1.396 177 W HN 0.897 nan 8.180 nan 0.000 0.573 178 G N 0.348 109.287 108.800 0.233 0.000 2.179 178 G HA2 -0.194 3.766 3.960 0.000 0.000 0.257 178 G HA3 -0.194 3.766 3.960 0.000 0.000 0.257 178 G C -0.794 174.152 174.900 0.077 0.000 1.010 178 G CA 0.117 45.297 45.100 0.132 0.000 0.736 178 G HN 0.453 nan 8.290 nan 0.000 0.513 179 V N -0.032 119.912 119.914 0.050 0.000 2.483 179 V HA 0.546 4.666 4.120 0.000 0.000 0.297 179 V C 0.182 176.274 176.094 -0.004 0.000 1.027 179 V CA -0.858 61.453 62.300 0.019 0.000 0.855 179 V CB 1.920 33.750 31.823 0.012 0.000 0.995 179 V HN 0.406 nan 8.190 nan 0.000 0.424 180 K N 4.632 125.028 120.400 -0.007 0.000 2.240 180 K HA 0.462 4.782 4.320 0.000 0.000 0.271 180 K C -0.681 175.918 176.600 -0.001 0.000 1.018 180 K CA -0.536 55.736 56.287 -0.025 0.000 0.874 180 K CB 0.906 33.381 32.500 -0.042 0.000 1.098 180 K HN 0.502 nan 8.250 nan 0.000 0.458 181 F N 4.369 124.223 119.950 -0.160 0.000 2.543 181 F HA 0.059 4.586 4.527 0.000 0.000 0.375 181 F C 0.807 176.514 175.800 -0.154 0.000 1.075 181 F CA 0.708 58.631 58.000 -0.128 0.000 1.225 181 F CB 0.895 39.801 39.000 -0.156 0.000 1.099 181 F HN 0.728 nan 8.300 nan 0.000 0.561 182 T N 1.839 116.096 114.554 -0.495 0.000 3.111 182 T HA 0.633 4.983 4.350 0.000 0.000 0.284 182 T C 0.361 174.861 174.700 -0.334 0.000 0.983 182 T CA 0.047 61.987 62.100 -0.267 0.000 0.900 182 T CB -0.226 68.566 68.868 -0.128 0.000 1.132 182 T HN 1.153 nan 8.240 nan 0.000 0.531 183 G N 1.012 109.216 108.800 -0.992 0.000 2.340 183 G HA2 0.378 4.339 3.960 0.000 0.000 0.282 183 G HA3 0.378 4.339 3.960 0.000 0.000 0.282 183 G C -2.463 172.139 174.900 -0.496 0.000 1.312 183 G CA -0.975 43.809 45.100 -0.527 0.000 0.942 183 G HN 0.261 nan 8.290 nan 0.000 0.495 184 L N 0.252 121.488 121.223 0.021 0.000 2.333 184 L HA 0.655 4.995 4.340 0.000 0.000 0.269 184 L C 0.184 177.181 176.870 0.211 0.000 1.010 184 L CA -0.744 54.262 54.840 0.277 0.000 0.818 184 L CB 1.599 43.973 42.059 0.525 0.000 1.306 184 L HN 0.704 nan 8.230 nan 0.000 0.430 185 Q N 4.138 124.059 119.800 0.202 0.000 2.400 185 Q HA 0.385 4.725 4.340 0.000 0.000 0.255 185 Q C -2.197 173.759 176.000 -0.073 0.000 1.008 185 Q CA -1.684 54.154 55.803 0.058 0.000 0.841 185 Q CB 1.676 30.418 28.738 0.007 0.000 1.220 185 Q HN 0.327 nan 8.270 nan 0.000 0.474 186 P HA 0.124 nan 4.420 nan 0.000 0.274 186 P C -2.592 174.314 177.300 -0.655 0.000 1.237 186 P CA -1.691 60.910 63.100 -0.833 0.000 0.793 186 P CB -0.124 31.244 31.700 -0.554 0.000 0.977 187 P HA 0.092 nan 4.420 nan 0.000 0.266 187 P C -2.216 174.902 177.300 -0.304 0.000 1.215 187 P CA -0.958 61.844 63.100 -0.496 0.000 0.763 187 P CB -0.233 31.179 31.700 -0.481 0.000 0.806 188 P HA 0.031 nan 4.420 nan 0.000 0.212 188 P C 0.542 177.567 177.300 -0.459 0.000 1.171 188 P CA 0.997 63.938 63.100 -0.265 0.000 0.892 188 P CB 0.206 31.796 31.700 -0.183 0.000 0.769 189 R N 0.415 120.705 120.500 -0.351 0.000 2.726 189 R HA 0.119 4.459 4.340 0.000 0.000 0.272 189 R C 1.323 177.389 176.300 -0.391 0.000 1.097 189 R CA -0.251 55.639 56.100 -0.350 0.000 1.198 189 R CB 0.118 30.300 30.300 -0.197 0.000 1.114 189 R HN 0.054 nan 8.270 nan 0.000 0.550 190 K N 1.061 121.295 120.400 -0.277 0.000 2.379 190 K HA -0.003 4.318 4.320 0.000 0.000 0.194 190 K C 0.983 177.551 176.600 -0.054 0.000 1.031 190 K CA 0.951 57.163 56.287 -0.126 0.000 1.037 190 K CB 0.179 32.674 32.500 -0.008 0.000 0.824 190 K HN 0.756 nan 8.250 nan 0.000 0.516 191 G N 1.535 110.290 108.800 -0.074 0.000 3.371 191 G HA2 0.032 3.992 3.960 0.000 0.000 0.248 191 G HA3 0.032 3.992 3.960 0.000 0.000 0.248 191 G C 0.089 174.950 174.900 -0.065 0.000 1.161 191 G CA -0.096 44.974 45.100 -0.050 0.000 0.796 191 G HN 0.353 nan 8.290 nan 0.000 0.539 192 S N -0.936 114.703 115.700 -0.101 0.000 2.690 192 S HA 0.836 5.306 4.470 0.000 0.000 0.291 192 S C 0.288 174.802 174.600 -0.143 0.000 1.138 192 S CA -0.289 57.836 58.200 -0.126 0.000 1.013 192 S CB 2.226 65.326 63.200 -0.165 0.000 1.053 192 S HN 0.308 nan 8.310 nan 0.000 0.539 193 G N -0.940 107.765 108.800 -0.160 0.000 2.667 193 G HA2 0.560 4.520 3.960 0.000 0.000 0.310 193 G HA3 0.560 4.520 3.960 0.000 0.000 0.310 193 G C -1.569 173.162 174.900 -0.282 0.000 1.259 193 G CA -1.232 43.771 45.100 -0.163 0.000 1.019 193 G HN 0.689 nan 8.290 nan 0.000 0.496 194 W N 0.007 121.111 121.300 -0.326 0.000 2.261 194 W HA 0.647 5.307 4.660 0.001 0.000 0.323 194 W C 0.825 176.889 176.519 -0.758 0.000 1.243 194 W CA -0.202 56.875 57.345 -0.446 0.000 1.210 194 W CB 1.065 30.243 29.460 -0.469 0.000 1.149 194 W HN 0.336 nan 8.180 nan 0.000 0.562 195 R N 1.627 122.004 120.500 -0.204 0.000 2.922 195 R HA 0.882 5.222 4.340 0.000 0.000 0.256 195 R C -0.829 175.658 176.300 0.312 0.000 1.138 195 R CA -1.288 54.754 56.100 -0.097 0.000 0.995 195 R CB 1.165 31.470 30.300 0.009 0.000 1.226 195 R HN 0.461 nan 8.270 nan 0.000 0.481 196 A N 0.642 123.757 122.820 0.492 0.000 2.320 196 A HA 0.416 4.736 4.320 0.000 0.000 0.334 196 A C -0.943 176.714 177.584 0.122 0.000 1.147 196 A CA -0.696 51.589 52.037 0.414 0.000 0.820 196 A CB 1.005 20.324 19.000 0.532 0.000 1.218 196 A HN 0.589 nan 8.150 nan 0.000 0.482 197 Q N 0.685 120.440 119.800 -0.074 0.000 2.256 197 Q HA 0.632 4.972 4.340 0.000 0.000 0.254 197 Q C -1.257 174.650 176.000 -0.154 0.000 0.916 197 Q CA 0.066 55.810 55.803 -0.098 0.000 0.932 197 Q CB 1.482 30.154 28.738 -0.110 0.000 1.207 197 Q HN 0.598 nan 8.270 nan 0.000 0.426 198 L N 2.028 123.215 121.223 -0.059 0.000 2.401 198 L HA 0.517 4.857 4.340 0.000 0.000 0.266 198 L C -0.729 176.124 176.870 -0.029 0.000 0.991 198 L CA -0.706 54.115 54.840 -0.031 0.000 0.818 198 L CB 2.369 44.435 42.059 0.010 0.000 1.321 198 L HN 0.597 nan 8.230 nan 0.000 0.413 199 Q N 3.382 123.167 119.800 -0.025 0.000 2.331 199 Q HA 0.520 4.860 4.340 0.000 0.000 0.272 199 Q C -2.690 173.307 176.000 -0.004 0.000 1.062 199 Q CA -1.717 54.076 55.803 -0.016 0.000 0.806 199 Q CB 3.240 31.965 28.738 -0.022 0.000 1.312 199 Q HN 0.234 nan 8.270 nan 0.000 0.431 200 P HA -0.002 nan 4.420 nan 0.000 0.270 200 P C -1.207 176.093 177.300 0.001 0.000 1.223 200 P CA -0.147 62.955 63.100 0.004 0.000 0.785 200 P CB 0.226 31.933 31.700 0.011 0.000 0.923 201 N N 1.497 120.197 118.700 0.000 0.000 1.819 201 N HA -0.103 4.637 4.740 0.000 0.000 0.306 201 N C -1.927 173.583 175.510 -0.001 0.000 1.336 201 N CA -0.246 52.804 53.050 -0.000 0.000 0.875 201 N CB -1.343 37.145 38.487 0.002 0.000 1.195 201 N HN 0.317 nan 8.380 nan 0.000 0.493 202 P HA 0.257 nan 4.420 nan 0.000 0.275 202 P C -2.350 174.938 177.300 -0.021 0.000 1.266 202 P CA -1.128 61.957 63.100 -0.025 0.000 0.793 202 P CB -0.108 31.565 31.700 -0.046 0.000 1.074 203 P HA 0.050 nan 4.420 nan 0.000 0.272 203 P C 0.743 178.034 177.300 -0.015 0.000 1.223 203 P CA -0.084 63.008 63.100 -0.014 0.000 0.784 203 P CB 0.329 32.028 31.700 -0.001 0.000 0.923 204 A N 3.370 126.194 122.820 0.006 0.000 1.940 204 A HA -0.318 4.002 4.320 0.000 0.000 0.221 204 A C 2.099 179.700 177.584 0.028 0.000 1.190 204 A CA 2.606 54.653 52.037 0.017 0.000 0.647 204 A CB -1.308 17.704 19.000 0.021 0.000 0.821 204 A HN 0.694 nan 8.150 nan 0.000 0.457 205 Q N -0.187 119.630 119.800 0.028 0.000 2.119 205 Q HA 0.077 4.417 4.340 0.000 0.000 0.201 205 Q C 1.934 177.970 176.000 0.060 0.000 0.972 205 Q CA 1.362 57.197 55.803 0.055 0.000 0.847 205 Q CB -0.535 28.238 28.738 0.058 0.000 0.903 205 Q HN 0.609 nan 8.270 nan 0.000 0.433 206 L N 0.230 121.435 121.223 -0.030 0.000 2.044 206 L HA -0.080 4.260 4.340 0.000 0.000 0.205 206 L C 2.378 179.291 176.870 0.071 0.000 1.075 206 L CA 1.079 55.883 54.840 -0.060 0.000 0.747 206 L CB -0.625 41.261 42.059 -0.289 0.000 0.903 206 L HN 0.410 nan 8.230 nan 0.000 0.435 207 A N -0.303 122.539 122.820 0.037 0.000 1.986 207 A HA -0.218 4.102 4.320 0.000 0.000 0.220 207 A C 2.106 179.742 177.584 0.086 0.000 1.171 207 A CA 2.175 54.245 52.037 0.055 0.000 0.640 207 A CB -0.507 18.509 19.000 0.027 0.000 0.811 207 A HN 0.583 nan 8.150 nan 0.000 0.451 208 S N -2.622 113.138 115.700 0.100 0.000 2.568 208 S HA 0.236 4.707 4.470 0.000 0.000 0.232 208 S C 0.150 174.841 174.600 0.151 0.000 0.975 208 S CA -0.520 57.737 58.200 0.094 0.000 0.949 208 S CB -0.431 62.806 63.200 0.062 0.000 0.829 208 S HN 0.415 nan 8.310 nan 0.000 0.479 209 Y N 3.907 124.260 120.300 0.089 0.000 2.569 209 Y HA 0.278 4.828 4.550 0.000 0.000 0.332 209 Y C 0.121 176.121 175.900 0.167 0.000 1.120 209 Y CA -0.791 57.397 58.100 0.145 0.000 1.416 209 Y CB 0.058 38.631 38.460 0.189 0.000 1.210 209 Y HN 0.260 nan 8.280 nan 0.000 0.528 210 E N 6.761 126.737 120.200 -0.374 0.000 2.214 210 E HA 0.477 4.827 4.350 0.000 0.000 0.274 210 E C -1.494 174.729 176.600 -0.629 0.000 0.977 210 E CA -0.788 55.319 56.400 -0.487 0.000 0.827 210 E CB 1.508 31.055 29.700 -0.255 0.000 1.130 210 E HN 0.516 nan 8.360 nan 0.000 0.394 211 F N -0.390 119.386 119.950 -0.291 0.000 2.608 211 F HA 0.312 4.839 4.527 0.000 0.000 0.309 211 F C 0.088 175.898 175.800 0.017 0.000 1.103 211 F CA -1.130 56.752 58.000 -0.198 0.000 0.954 211 F CB 1.067 39.963 39.000 -0.173 0.000 1.267 211 F HN 0.329 nan 8.300 nan 0.000 0.444 212 D N 0.659 121.199 120.400 0.232 0.000 2.369 212 D HA 0.141 4.782 4.640 0.000 0.000 0.211 212 D C -0.399 175.972 176.300 0.118 0.000 1.077 212 D CA 0.259 54.400 54.000 0.236 0.000 0.842 212 D CB 0.998 42.010 40.800 0.353 0.000 0.947 212 D HN 0.261 nan 8.370 nan 0.000 0.509 213 V N 1.354 121.349 119.914 0.134 0.000 2.577 213 V HA 0.349 4.469 4.120 0.000 0.000 0.303 213 V C -1.092 174.970 176.094 -0.054 0.000 1.042 213 V CA -0.980 61.265 62.300 -0.092 0.000 0.872 213 V CB 2.300 34.055 31.823 -0.114 0.000 0.998 213 V HN 0.105 nan 8.190 nan 0.000 0.423 214 L N 6.421 127.550 121.223 -0.157 0.000 2.349 214 L HA 0.675 5.015 4.340 0.000 0.000 0.278 214 L C -1.029 175.686 176.870 -0.259 0.000 0.996 214 L CA -0.070 54.614 54.840 -0.261 0.000 0.825 214 L CB 1.318 43.249 42.059 -0.213 0.000 1.243 214 L HN 0.437 nan 8.230 nan 0.000 0.412 215 I N 3.872 124.275 120.570 -0.279 0.000 2.355 215 I HA 0.314 4.484 4.170 0.000 0.000 0.288 215 I C 0.083 176.027 176.117 -0.287 0.000 0.999 215 I CA -0.165 60.989 61.300 -0.243 0.000 1.163 215 I CB 1.356 39.240 38.000 -0.192 0.000 1.316 215 I HN 0.581 nan 8.210 nan 0.000 0.454 216 S N 5.265 120.790 115.700 -0.292 0.000 2.422 216 S HA 0.690 5.160 4.470 0.000 0.000 0.308 216 S C 0.263 174.736 174.600 -0.212 0.000 1.097 216 S CA -0.383 57.651 58.200 -0.277 0.000 1.099 216 S CB 0.565 63.597 63.200 -0.280 0.000 0.976 216 S HN 0.709 nan 8.310 nan 0.000 0.471 217 A N 3.929 126.648 122.820 -0.169 0.000 2.959 217 A HA 0.645 4.965 4.320 0.000 0.000 0.280 217 A C 0.876 178.407 177.584 -0.088 0.000 0.953 217 A CA -0.040 51.919 52.037 -0.130 0.000 1.047 217 A CB -0.226 18.691 19.000 -0.138 0.000 1.147 217 A HN 0.933 nan 8.150 nan 0.000 0.489 218 A N -0.180 122.617 122.820 -0.038 0.000 2.259 218 A HA 0.519 4.839 4.320 0.000 0.000 0.208 218 A C 1.419 179.027 177.584 0.041 0.000 1.201 218 A CA 0.999 53.039 52.037 0.005 0.000 0.824 218 A CB -0.802 18.256 19.000 0.096 0.000 0.838 218 A HN 2.296 nan 8.150 nan 0.000 0.485 219 G N -1.909 106.902 108.800 0.019 0.000 2.725 219 G HA2 0.099 4.059 3.960 0.000 0.000 0.220 219 G HA3 0.099 4.059 3.960 0.000 0.000 0.220 219 G C 0.968 175.907 174.900 0.065 0.000 1.357 219 G CA -0.299 44.821 45.100 0.034 0.000 0.866 219 G HN 1.167 nan 8.290 nan 0.000 0.548 220 G N -0.688 108.161 108.800 0.082 0.000 2.498 220 G HA2 0.025 3.985 3.960 0.000 0.000 0.219 220 G HA3 0.025 3.985 3.960 0.000 0.000 0.219 220 G C 1.268 176.225 174.900 0.095 0.000 1.119 220 G CA 1.609 46.763 45.100 0.090 0.000 0.766 220 G HN 0.793 nan 8.290 nan 0.000 0.552 221 K N -1.141 119.334 120.400 0.125 0.000 2.373 221 K HA 0.329 4.649 4.320 0.000 0.000 0.202 221 K C -0.859 175.855 176.600 0.189 0.000 1.025 221 K CA -0.447 55.922 56.287 0.138 0.000 1.115 221 K CB 0.634 33.221 32.500 0.144 0.000 0.858 221 K HN 0.244 nan 8.250 nan 0.000 0.525 222 F N 1.478 121.438 119.950 0.015 0.000 2.607 222 F HA 0.325 4.852 4.527 0.000 0.000 0.322 222 F C -1.133 174.647 175.800 -0.034 0.000 1.176 222 F CA -1.180 56.829 58.000 0.014 0.000 0.977 222 F CB 1.362 40.379 39.000 0.028 0.000 1.242 222 F HN -0.222 nan 8.300 nan 0.000 0.465 223 V N 3.365 122.821 119.914 -0.764 0.000 3.001 223 V HA 0.777 4.897 4.120 0.000 0.000 0.314 223 V C -2.814 172.683 176.094 -0.995 0.000 1.099 223 V CA -2.739 59.123 62.300 -0.730 0.000 0.989 223 V CB 1.570 33.134 31.823 -0.431 0.000 1.040 223 V HN 0.615 nan 8.190 nan 0.000 0.434 224 P HA 0.145 nan 4.420 nan 0.000 0.270 224 P C -0.411 176.928 177.300 0.065 0.000 1.227 224 P CA -0.062 63.016 63.100 -0.038 0.000 0.788 224 P CB 0.276 32.111 31.700 0.225 0.000 0.926 225 E N 0.480 120.754 120.200 0.122 0.000 2.383 225 E HA 0.321 4.672 4.350 0.000 0.000 0.264 225 E C 0.794 177.458 176.600 0.106 0.000 1.050 225 E CA -0.162 56.296 56.400 0.096 0.000 0.896 225 E CB -0.247 29.508 29.700 0.092 0.000 0.982 225 E HN 0.678 nan 8.360 nan 0.000 0.424 226 G N 2.043 110.867 108.800 0.041 0.000 2.254 226 G HA2 -0.271 3.690 3.960 0.000 0.000 0.225 226 G HA3 -0.271 3.690 3.960 0.000 0.000 0.225 226 G C -0.112 174.690 174.900 -0.163 0.000 1.003 226 G CA -0.077 44.981 45.100 -0.069 0.000 0.622 226 G HN 0.473 nan 8.290 nan 0.000 0.507 227 F N 2.197 122.115 119.950 -0.053 0.000 2.389 227 F HA 0.584 5.111 4.527 0.000 0.000 0.337 227 F C 0.985 176.759 175.800 -0.042 0.000 1.112 227 F CA 0.373 58.339 58.000 -0.058 0.000 1.192 227 F CB 1.569 40.513 39.000 -0.093 0.000 1.185 227 F HN -0.077 nan 8.300 nan 0.000 0.552 228 T N 4.880 119.518 114.554 0.139 0.000 2.771 228 T HA 0.491 4.841 4.350 0.000 0.000 0.281 228 T C -0.408 174.357 174.700 0.108 0.000 0.982 228 T CA -0.466 61.689 62.100 0.092 0.000 0.978 228 T CB 0.717 69.618 68.868 0.055 0.000 0.930 228 T HN 0.082 nan 8.240 nan 0.000 0.447 229 I N 3.347 123.962 120.570 0.075 0.000 2.359 229 I HA 0.382 4.552 4.170 0.000 0.000 0.294 229 I C 0.623 176.774 176.117 0.058 0.000 0.987 229 I CA -1.161 60.178 61.300 0.065 0.000 1.225 229 I CB 1.041 39.065 38.000 0.040 0.000 1.366 229 I HN 0.466 nan 8.210 nan 0.000 0.466 230 R N 4.226 124.765 120.500 0.064 0.000 2.221 230 R HA 0.408 4.748 4.340 0.000 0.000 0.327 230 R C -0.129 176.197 176.300 0.043 0.000 1.033 230 R CA -0.491 55.639 56.100 0.050 0.000 0.887 230 R CB 1.117 31.448 30.300 0.052 0.000 1.057 230 R HN 0.601 nan 8.270 nan 0.000 0.455 231 E N 4.044 124.265 120.200 0.034 0.000 2.176 231 E HA 0.333 4.684 4.350 0.000 0.000 0.267 231 E C -1.222 175.390 176.600 0.021 0.000 0.893 231 E CA -1.026 55.392 56.400 0.030 0.000 0.761 231 E CB 1.304 31.022 29.700 0.030 0.000 1.133 231 E HN 0.393 nan 8.360 nan 0.000 0.409 232 M N 4.393 124.003 119.600 0.016 0.000 2.190 232 M HA 0.426 4.906 4.480 0.000 0.000 0.312 232 M C -1.603 174.698 176.300 0.003 0.000 0.990 232 M CA -0.411 54.894 55.300 0.007 0.000 0.927 232 M CB 1.749 34.350 32.600 0.002 0.000 1.571 232 M HN 0.469 nan 8.290 nan 0.000 0.427 233 R N 3.134 123.635 120.500 0.001 0.000 2.229 233 R HA 0.678 5.018 4.340 0.000 0.000 0.328 233 R C -0.020 176.274 176.300 -0.011 0.000 1.009 233 R CA 0.001 56.100 56.100 -0.001 0.000 0.864 233 R CB 1.030 31.332 30.300 0.003 0.000 1.085 233 R HN 1.081 nan 8.270 nan 0.000 0.453 234 G N 2.124 110.913 108.800 -0.019 0.000 2.857 234 G HA2 0.185 4.145 3.960 0.000 0.000 0.217 234 G HA3 0.185 4.145 3.960 0.000 0.000 0.217 234 G C -0.664 174.221 174.900 -0.025 0.000 1.357 234 G CA -0.563 44.520 45.100 -0.029 0.000 1.033 234 G HN 0.350 nan 8.290 nan 0.000 0.571 235 K N 0.023 120.403 120.400 -0.032 0.000 2.550 235 K HA -0.041 4.279 4.320 0.000 0.000 0.280 235 K C -0.068 176.523 176.600 -0.015 0.000 0.987 235 K CA -0.183 56.090 56.287 -0.025 0.000 1.048 235 K CB 0.937 33.418 32.500 -0.031 0.000 0.879 235 K HN 0.253 nan 8.250 nan 0.000 0.491 236 L N 2.168 123.387 121.223 -0.007 0.000 2.410 236 L HA 0.183 4.524 4.340 0.000 0.000 0.273 236 L C -0.480 176.399 176.870 0.014 0.000 1.152 236 L CA 0.593 55.435 54.840 0.003 0.000 0.855 236 L CB 0.456 42.513 42.059 -0.005 0.000 1.129 236 L HN 0.677 nan 8.230 nan 0.000 0.463 237 A N 6.598 129.443 122.820 0.043 0.000 2.408 237 A HA 0.735 5.055 4.320 0.000 0.000 0.295 237 A C -1.062 176.558 177.584 0.060 0.000 1.040 237 A CA -0.448 51.640 52.037 0.084 0.000 0.707 237 A CB 0.734 19.834 19.000 0.166 0.000 1.235 237 A HN 0.641 nan 8.150 nan 0.000 0.418 238 I N 2.159 122.697 120.570 -0.053 0.000 2.406 238 I HA 0.557 4.728 4.170 0.000 0.000 0.290 238 I C 0.796 176.621 176.117 -0.487 0.000 0.999 238 I CA -0.418 60.761 61.300 -0.201 0.000 1.124 238 I CB 2.312 40.218 38.000 -0.156 0.000 1.289 238 I HN 0.714 nan 8.210 nan 0.000 0.441 239 G N 6.940 115.089 108.800 -1.085 0.000 2.389 239 G HA2 0.728 4.688 3.960 0.000 0.000 0.328 239 G HA3 0.728 4.688 3.960 0.000 0.000 0.328 239 G C -0.667 173.959 174.900 -0.455 0.000 1.133 239 G CA -0.390 43.709 45.100 -1.667 0.000 0.891 239 G HN 0.391 nan 8.290 nan 0.000 0.485 240 I N 1.732 122.237 120.570 -0.108 0.000 2.466 240 I HA 0.365 4.535 4.170 0.000 0.000 0.289 240 I C -0.009 176.279 176.117 0.285 0.000 1.026 240 I CA -0.586 60.787 61.300 0.122 0.000 1.078 240 I CB 1.877 39.952 38.000 0.126 0.000 1.249 240 I HN 0.594 nan 8.210 nan 0.000 0.429 241 T N 2.293 117.099 114.554 0.419 0.000 2.863 241 T HA 0.901 5.251 4.350 0.000 0.000 0.285 241 T C -0.501 174.362 174.700 0.271 0.000 1.009 241 T CA -0.765 61.540 62.100 0.343 0.000 0.989 241 T CB 2.549 71.740 68.868 0.539 0.000 1.004 241 T HN 0.759 nan 8.240 nan 0.000 0.455 242 A N 2.738 125.657 122.820 0.163 0.000 2.475 242 A HA 0.798 5.118 4.320 0.000 0.000 0.301 242 A C -0.893 176.752 177.584 0.102 0.000 1.059 242 A CA -1.022 51.091 52.037 0.127 0.000 0.710 242 A CB 1.405 20.461 19.000 0.093 0.000 1.288 242 A HN 0.808 nan 8.150 nan 0.000 0.408 243 N N 0.695 119.411 118.700 0.026 0.000 2.314 243 N HA 0.653 5.393 4.740 0.000 0.000 0.294 243 N C -1.753 173.672 175.510 -0.142 0.000 1.029 243 N CA 0.103 53.227 53.050 0.123 0.000 0.845 243 N CB 1.556 40.175 38.487 0.220 0.000 1.321 243 N HN 0.501 nan 8.380 nan 0.000 0.481 244 F N 0.129 120.230 119.950 0.252 0.000 2.538 244 F HA 0.381 4.908 4.527 0.000 0.000 0.325 244 F C 0.680 176.548 175.800 0.113 0.000 1.066 244 F CA -1.037 57.043 58.000 0.132 0.000 0.946 244 F CB 1.145 40.194 39.000 0.081 0.000 1.199 244 F HN 0.002 nan 8.300 nan 0.000 0.473 245 V N 2.234 122.304 119.914 0.261 0.000 2.509 245 V HA -0.085 4.036 4.120 0.000 0.000 0.297 245 V C 0.068 176.211 176.094 0.081 0.000 1.014 245 V CA 0.011 62.383 62.300 0.120 0.000 1.127 245 V CB -0.060 31.831 31.823 0.113 0.000 0.925 245 V HN 0.598 nan 8.190 nan 0.000 0.480 246 N N 4.491 123.114 118.700 -0.129 0.000 2.437 246 N HA 0.250 4.990 4.740 0.000 0.000 0.243 246 N C 0.959 176.444 175.510 -0.043 0.000 1.041 246 N CA 0.223 53.095 53.050 -0.297 0.000 0.940 246 N CB 1.555 39.770 38.487 -0.452 0.000 1.133 246 N HN 0.705 nan 8.380 nan 0.000 0.506 247 G N 2.375 111.214 108.800 0.064 0.000 2.920 247 G HA2 -0.075 3.886 3.960 0.000 0.000 0.208 247 G HA3 -0.075 3.886 3.960 0.000 0.000 0.208 247 G C 0.480 175.412 174.900 0.052 0.000 1.159 247 G CA -0.217 44.917 45.100 0.058 0.000 0.784 247 G HN 0.733 nan 8.290 nan 0.000 0.535 248 R N -0.629 119.907 120.500 0.060 0.000 3.946 248 R HA -0.154 4.186 4.340 0.000 0.000 0.329 248 R C 0.350 176.685 176.300 0.057 0.000 1.209 248 R CA 1.026 57.158 56.100 0.054 0.000 0.909 248 R CB -3.142 27.172 30.300 0.024 0.000 1.355 248 R HN 0.369 nan 8.270 nan 0.000 0.539 249 T N 0.351 114.948 114.554 0.072 0.000 2.932 249 T HA 0.179 4.529 4.350 0.000 0.000 0.312 249 T C 2.070 176.803 174.700 0.055 0.000 1.071 249 T CA 0.366 62.501 62.100 0.057 0.000 1.128 249 T CB 1.154 70.059 68.868 0.062 0.000 0.984 249 T HN 0.050 nan 8.240 nan 0.000 0.549 250 V N 4.126 124.062 119.914 0.036 0.000 2.250 250 V HA -0.219 3.901 4.120 0.000 0.000 0.250 250 V C 2.669 178.783 176.094 0.033 0.000 1.060 250 V CA 2.239 64.557 62.300 0.030 0.000 1.030 250 V CB -0.579 31.254 31.823 0.018 0.000 0.643 250 V HN 0.914 nan 8.190 nan 0.000 0.445 251 E N 0.372 120.588 120.200 0.027 0.000 2.085 251 E HA -0.289 4.062 4.350 0.000 0.000 0.194 251 E C 1.961 178.580 176.600 0.031 0.000 0.994 251 E CA 1.721 58.132 56.400 0.019 0.000 0.801 251 E CB -0.592 29.111 29.700 0.004 0.000 0.743 251 E HN 0.733 nan 8.360 nan 0.000 0.453 252 E N 0.566 120.802 120.200 0.059 0.000 2.077 252 E HA -0.131 4.220 4.350 0.000 0.000 0.193 252 E C 2.184 178.871 176.600 0.146 0.000 0.989 252 E CA 1.993 58.453 56.400 0.100 0.000 0.800 252 E CB -0.190 29.642 29.700 0.220 0.000 0.746 252 E HN 0.549 nan 8.360 nan 0.000 0.452 253 T N -1.064 113.564 114.554 0.123 0.000 2.995 253 T HA -0.062 4.288 4.350 0.000 0.000 0.269 253 T C 1.739 176.494 174.700 0.092 0.000 1.091 253 T CA 0.491 62.663 62.100 0.120 0.000 1.128 253 T CB 0.128 69.044 68.868 0.080 0.000 0.891 253 T HN -0.065 nan 8.240 nan 0.000 0.492 254 Q N 0.789 120.630 119.800 0.067 0.000 2.432 254 Q HA 0.215 4.556 4.340 0.000 0.000 0.205 254 Q C 0.474 176.507 176.000 0.054 0.000 0.945 254 Q CA 0.142 55.974 55.803 0.048 0.000 0.924 254 Q CB -0.045 28.709 28.738 0.027 0.000 1.016 254 Q HN 0.436 nan 8.270 nan 0.000 0.503 255 V N 5.160 125.117 119.914 0.072 0.000 2.446 255 V HA 0.067 4.187 4.120 0.000 0.000 0.276 255 V C -1.848 174.339 176.094 0.155 0.000 1.030 255 V CA -0.937 61.411 62.300 0.080 0.000 1.033 255 V CB 0.387 32.227 31.823 0.029 0.000 0.993 255 V HN 0.125 nan 8.190 nan 0.000 0.477 256 P HA 0.183 nan 4.420 nan 0.000 0.272 256 P C -0.109 177.318 177.300 0.213 0.000 1.230 256 P CA -0.336 62.840 63.100 0.126 0.000 0.788 256 P CB 1.031 32.773 31.700 0.071 0.000 0.949 257 E N 0.375 120.640 120.200 0.108 0.000 2.345 257 E HA 0.340 4.690 4.350 0.000 0.000 0.259 257 E C -0.274 176.370 176.600 0.073 0.000 1.117 257 E CA -0.539 55.871 56.400 0.018 0.000 0.913 257 E CB 0.432 30.099 29.700 -0.055 0.000 1.057 257 E HN 0.372 nan 8.360 nan 0.000 0.432 258 I N 1.803 122.394 120.570 0.035 0.000 2.537 258 I HA 0.009 4.179 4.170 0.000 0.000 0.276 258 I C 0.853 176.932 176.117 -0.064 0.000 1.063 258 I CA -0.101 61.192 61.300 -0.011 0.000 1.144 258 I CB 1.231 39.216 38.000 -0.025 0.000 1.252 258 I HN 0.417 nan 8.210 nan 0.000 0.480 259 S N 2.828 118.533 115.700 0.009 0.000 2.547 259 S HA 0.175 4.645 4.470 0.000 0.000 0.235 259 S C 0.942 175.541 174.600 -0.001 0.000 0.980 259 S CA 0.356 58.593 58.200 0.061 0.000 0.941 259 S CB -0.052 63.234 63.200 0.144 0.000 0.763 259 S HN 0.880 nan 8.310 nan 0.000 0.532 260 G N 0.134 108.925 108.800 -0.015 0.000 1.956 260 G HA2 0.316 4.276 3.960 0.000 0.000 0.189 260 G HA3 0.316 4.276 3.960 0.000 0.000 0.189 260 G C -1.242 173.681 174.900 0.037 0.000 1.568 260 G CA -0.906 44.205 45.100 0.019 0.000 1.002 260 G HN 0.244 nan 8.290 nan 0.000 0.653 261 V N 1.685 121.628 119.914 0.047 0.000 2.383 261 V HA 0.814 4.934 4.120 0.000 0.000 0.275 261 V C 0.726 177.084 176.094 0.441 0.000 1.036 261 V CA 0.352 62.714 62.300 0.104 0.000 0.889 261 V CB 1.128 32.797 31.823 -0.256 0.000 0.985 261 V HN 1.451 nan 8.190 nan 0.000 0.459 262 A N 5.257 128.332 122.820 0.425 0.000 2.413 262 A HA 0.737 5.057 4.320 0.000 0.000 0.307 262 A C 0.263 177.995 177.584 0.247 0.000 1.087 262 A CA -0.723 51.501 52.037 0.310 0.000 0.750 262 A CB 1.571 20.677 19.000 0.175 0.000 1.296 262 A HN 0.603 nan 8.150 nan 0.000 0.423 263 R N 1.474 121.950 120.500 -0.040 0.000 2.893 263 R HA 0.357 4.697 4.340 0.000 0.000 0.317 263 R C -0.532 175.757 176.300 -0.017 0.000 1.239 263 R CA 0.163 56.185 56.100 -0.130 0.000 1.128 263 R CB -0.630 29.383 30.300 -0.478 0.000 1.377 263 R HN 0.745 nan 8.270 nan 0.000 0.583 267 Q N 0.793 120.726 119.800 0.221 0.000 2.759 267 Q HA 0.247 4.588 4.340 0.000 0.000 0.225 267 Q C -1.280 174.947 176.000 0.379 0.000 0.823 267 Q CA -0.175 55.796 55.803 0.281 0.000 0.828 267 Q CB 1.390 30.315 28.738 0.312 0.000 1.425 267 Q HN 0.076 nan 8.270 nan 0.000 0.449 268 K N 2.073 122.630 120.400 0.261 0.000 2.708 268 K HA 0.095 4.416 4.320 0.000 0.000 0.219 268 K C 1.107 177.838 176.600 0.219 0.000 1.068 268 K CA -0.144 56.285 56.287 0.237 0.000 1.212 268 K CB -0.581 32.009 32.500 0.151 0.000 0.978 268 K HN 0.492 nan 8.250 nan 0.000 0.475 269 F N -0.241 119.740 119.950 0.053 0.000 2.234 269 F HA -0.133 4.394 4.527 0.000 0.000 0.299 269 F C 1.417 177.193 175.800 -0.040 0.000 1.087 269 F CA 1.228 59.226 58.000 -0.004 0.000 1.340 269 F CB -0.135 38.794 39.000 -0.118 0.000 1.031 269 F HN -0.031 nan 8.300 nan 0.000 0.500 270 F N 1.064 121.080 119.950 0.109 0.000 2.171 270 F HA -0.202 4.325 4.527 0.000 0.000 0.300 270 F C 2.659 178.367 175.800 -0.153 0.000 1.090 270 F CA 1.656 59.617 58.000 -0.065 0.000 1.293 270 F CB -0.846 38.215 39.000 0.101 0.000 1.013 270 F HN 0.014 nan 8.300 nan 0.000 0.486 271 Q N -0.547 119.318 119.800 0.108 0.000 2.062 271 Q HA -0.261 4.079 4.340 0.000 0.000 0.209 271 Q C 2.466 178.407 176.000 -0.098 0.000 0.996 271 Q CA 2.161 57.974 55.803 0.017 0.000 0.859 271 Q CB -0.541 28.224 28.738 0.046 0.000 0.920 271 Q HN 0.270 nan 8.270 nan 0.000 0.415 272 S N 0.146 115.762 115.700 -0.140 0.000 2.387 272 S HA -0.094 4.376 4.470 0.000 0.000 0.226 272 S C 1.804 176.075 174.600 -0.547 0.000 1.026 272 S CA 0.548 58.633 58.200 -0.191 0.000 0.972 272 S CB -0.202 63.000 63.200 0.004 0.000 0.814 272 S HN 0.303 nan 8.310 nan 0.000 0.477 273 L N 1.847 122.506 121.223 -0.940 0.000 2.021 273 L HA -0.115 4.225 4.340 0.000 0.000 0.215 273 L C 2.071 178.478 176.870 -0.772 0.000 1.074 273 L CA 1.904 55.889 54.840 -1.426 0.000 0.760 273 L CB -0.870 40.506 42.059 -1.138 0.000 0.889 273 L HN 0.407 nan 8.230 nan 0.000 0.433 274 L N -0.101 120.872 121.223 -0.416 0.000 1.994 274 L HA -0.210 4.130 4.340 0.000 0.000 0.208 274 L C 2.576 179.309 176.870 -0.229 0.000 1.071 274 L CA 2.360 57.053 54.840 -0.245 0.000 0.745 274 L CB -1.111 40.876 42.059 -0.121 0.000 0.892 274 L HN 0.444 nan 8.230 nan 0.000 0.431 275 K N -0.580 119.693 120.400 -0.212 0.000 2.034 275 K HA -0.225 4.095 4.320 0.000 0.000 0.214 275 K C 1.951 178.440 176.600 -0.185 0.000 1.051 275 K CA 1.915 58.107 56.287 -0.159 0.000 0.931 275 K CB -0.384 32.045 32.500 -0.118 0.000 0.715 275 K HN 0.498 nan 8.250 nan 0.000 0.446 276 A N -0.415 122.229 122.820 -0.295 0.000 2.014 276 A HA -0.093 4.227 4.320 0.000 0.000 0.218 276 A C 1.864 179.309 177.584 -0.232 0.000 1.163 276 A CA 1.996 53.882 52.037 -0.253 0.000 0.652 276 A CB -0.306 18.503 19.000 -0.319 0.000 0.808 276 A HN 0.634 nan 8.150 nan 0.000 0.449 277 T N -7.059 107.317 114.554 -0.296 0.000 2.993 277 T HA 0.424 4.774 4.350 0.000 0.000 0.260 277 T C 1.370 175.966 174.700 -0.173 0.000 0.939 277 T CA 1.024 62.984 62.100 -0.234 0.000 0.886 277 T CB 0.191 68.870 68.868 -0.316 0.000 1.209 277 T HN 1.694 nan 8.240 nan 0.000 0.518 278 G N 1.877 110.576 108.800 -0.168 0.000 2.148 278 G HA2 -0.210 3.750 3.960 0.000 0.000 0.254 278 G HA3 -0.210 3.750 3.960 0.000 0.000 0.254 278 G C -0.019 174.832 174.900 -0.082 0.000 0.981 278 G CA 0.283 45.321 45.100 -0.103 0.000 0.670 278 G HN 0.693 nan 8.290 nan 0.000 0.528 279 I N 0.849 121.328 120.570 -0.151 0.000 2.353 279 I HA 0.381 4.551 4.170 0.000 0.000 0.293 279 I C -0.448 175.634 176.117 -0.057 0.000 0.992 279 I CA -0.624 60.605 61.300 -0.118 0.000 1.268 279 I CB 1.506 39.280 38.000 -0.376 0.000 1.387 279 I HN 0.023 nan 8.210 nan 0.000 0.478 280 D N 7.870 128.298 120.400 0.047 0.000 2.440 280 D HA 0.530 5.170 4.640 0.000 0.000 0.239 280 D C -1.092 175.264 176.300 0.094 0.000 1.084 280 D CA -0.187 53.843 54.000 0.051 0.000 0.843 280 D CB 0.846 41.664 40.800 0.031 0.000 1.097 280 D HN 0.280 nan 8.370 nan 0.000 0.531 281 L N 3.049 124.332 121.223 0.099 0.000 2.354 281 L HA 0.438 4.778 4.340 0.000 0.000 0.269 281 L C 1.198 177.933 176.870 -0.225 0.000 1.005 281 L CA -0.840 54.051 54.840 0.085 0.000 0.819 281 L CB 2.059 44.300 42.059 0.304 0.000 1.311 281 L HN 0.243 nan 8.230 nan 0.000 0.423 282 E N 1.181 121.274 120.200 -0.178 0.000 2.285 282 E HA -0.052 4.299 4.350 0.000 0.000 0.194 282 E C -0.612 175.727 176.600 -0.435 0.000 0.997 282 E CA 0.643 56.856 56.400 -0.311 0.000 0.845 282 E CB 0.249 29.906 29.700 -0.072 0.000 0.782 282 E HN 0.714 nan 8.360 nan 0.000 0.491 283 N N -1.533 117.112 118.700 -0.091 0.000 3.322 283 N HA 0.298 5.038 4.740 0.000 0.000 0.233 283 N C -1.604 174.201 175.510 0.490 0.000 1.399 283 N CA -0.715 52.527 53.050 0.320 0.000 0.894 283 N CB 0.972 39.600 38.487 0.235 0.000 1.440 283 N HN -0.045 nan 8.380 nan 0.000 0.503 284 I N -0.033 120.829 120.570 0.487 0.000 2.918 284 I HA 0.728 4.898 4.170 0.000 0.000 0.301 284 I C -1.659 174.554 176.117 0.160 0.000 1.312 284 I CA -0.906 60.585 61.300 0.318 0.000 1.007 284 I CB 2.085 40.294 38.000 0.349 0.000 1.281 284 I HN 0.479 nan 8.210 nan 0.000 0.440 285 V N 5.631 125.590 119.914 0.074 0.000 2.841 285 V HA 0.435 4.556 4.120 0.000 0.000 0.310 285 V C -1.684 174.289 176.094 -0.202 0.000 1.090 285 V CA -0.631 61.590 62.300 -0.131 0.000 0.930 285 V CB 2.110 33.765 31.823 -0.280 0.000 1.014 285 V HN 0.558 nan 8.190 nan 0.000 0.425 286 Y N 4.710 124.729 120.300 -0.468 0.000 2.326 286 Y HA 0.656 5.206 4.550 0.000 0.000 0.329 286 Y C -1.549 174.091 175.900 -0.433 0.000 0.973 286 Y CA -1.398 56.303 58.100 -0.664 0.000 1.162 286 Y CB 1.319 39.387 38.460 -0.653 0.000 1.147 286 Y HN 0.599 nan 8.280 nan 0.000 0.456 287 Y N 5.182 125.080 120.300 -0.671 0.000 2.352 287 Y HA 0.374 4.924 4.550 0.000 0.000 0.339 287 Y C 0.008 175.436 175.900 -0.787 0.000 0.992 287 Y CA -1.249 56.400 58.100 -0.752 0.000 1.100 287 Y CB 1.776 39.806 38.460 -0.717 0.000 1.192 287 Y HN 0.453 nan 8.280 nan 0.000 0.458 288 K N 4.098 124.242 120.400 -0.427 0.000 2.263 288 K HA 0.118 4.438 4.320 0.000 0.000 0.282 288 K C -1.096 175.552 176.600 0.080 0.000 1.089 288 K CA -0.071 56.166 56.287 -0.083 0.000 0.907 288 K CB 0.435 32.956 32.500 0.036 0.000 1.148 288 K HN 0.772 nan 8.250 nan 0.000 0.470 289 D N 1.759 122.198 120.400 0.064 0.000 2.887 289 D HA 0.100 4.741 4.640 0.000 0.000 0.221 289 D C 0.529 176.854 176.300 0.042 0.000 1.276 289 D CA -0.218 53.847 54.000 0.109 0.000 1.078 289 D CB 1.063 41.899 40.800 0.060 0.000 1.217 289 D HN 0.422 nan 8.370 nan 0.000 0.631 290 E N -0.026 120.203 120.200 0.047 0.000 2.204 290 E HA -0.042 4.308 4.350 0.000 0.000 0.195 290 E C 0.885 177.444 176.600 -0.069 0.000 0.990 290 E CA 0.948 57.355 56.400 0.012 0.000 0.821 290 E CB -0.277 29.447 29.700 0.039 0.000 0.750 290 E HN 0.491 nan 8.360 nan 0.000 0.477 291 T N -1.470 113.048 114.554 -0.059 0.000 2.926 291 T HA 0.351 4.701 4.350 0.000 0.000 0.289 291 T C -0.096 174.602 174.700 -0.005 0.000 1.054 291 T CA -0.908 61.155 62.100 -0.062 0.000 1.015 291 T CB 1.559 70.428 68.868 0.001 0.000 1.167 291 T HN -0.062 nan 8.240 nan 0.000 0.526 292 H N 1.183 120.451 119.070 0.329 0.000 2.934 292 H HA 0.253 4.809 4.556 0.000 0.000 0.273 292 H C -1.106 174.554 175.328 0.554 0.000 1.121 292 H CA -0.235 56.112 56.048 0.498 0.000 1.451 292 H CB -0.236 29.877 29.762 0.586 0.000 1.469 292 H HN 0.652 nan 8.280 nan 0.000 0.476 293 Y N 4.184 124.657 120.300 0.288 0.000 2.341 293 Y HA 0.396 4.946 4.550 0.000 0.000 0.337 293 Y C -1.620 174.304 175.900 0.040 0.000 1.014 293 Y CA -1.100 57.129 58.100 0.215 0.000 1.111 293 Y CB 0.671 39.190 38.460 0.098 0.000 1.194 293 Y HN 0.288 nan 8.280 nan 0.000 0.462 294 F N 5.556 125.244 119.950 -0.437 0.000 2.529 294 F HA 0.587 5.114 4.527 0.000 0.000 0.320 294 F C -0.868 174.577 175.800 -0.592 0.000 1.118 294 F CA -1.056 56.758 58.000 -0.309 0.000 0.915 294 F CB 1.962 40.988 39.000 0.044 0.000 1.161 294 F HN 0.375 nan 8.300 nan 0.000 0.445 295 V N 6.390 126.169 119.914 -0.226 0.000 2.604 295 V HA 0.792 4.912 4.120 0.000 0.000 0.305 295 V C -0.851 175.366 176.094 0.205 0.000 1.043 295 V CA -0.564 61.764 62.300 0.047 0.000 0.888 295 V CB 1.724 33.668 31.823 0.203 0.000 0.995 295 V HN 0.772 nan 8.190 nan 0.000 0.429 296 M N 4.391 124.138 119.600 0.245 0.000 2.550 296 M HA 0.648 5.128 4.480 0.000 0.000 0.292 296 M C -1.328 175.074 176.300 0.169 0.000 1.221 296 M CA -0.403 55.048 55.300 0.251 0.000 0.873 296 M CB 2.320 35.090 32.600 0.282 0.000 1.727 296 M HN 0.415 nan 8.290 nan 0.000 0.459 297 T N 2.211 116.875 114.554 0.183 0.000 2.770 297 T HA 0.786 5.136 4.350 0.000 0.000 0.283 297 T C -0.501 174.260 174.700 0.101 0.000 0.988 297 T CA -0.457 61.700 62.100 0.095 0.000 0.957 297 T CB 1.279 70.273 68.868 0.211 0.000 0.930 297 T HN 0.775 nan 8.240 nan 0.000 0.443 298 A N 3.471 126.324 122.820 0.054 0.000 2.354 298 A HA 0.772 5.092 4.320 0.000 0.000 0.321 298 A C -0.294 177.295 177.584 0.009 0.000 1.125 298 A CA -0.924 51.164 52.037 0.085 0.000 0.799 298 A CB 1.208 20.306 19.000 0.163 0.000 1.293 298 A HN 0.692 nan 8.150 nan 0.000 0.452 299 K N 0.642 121.052 120.400 0.017 0.000 2.143 299 K HA 0.191 4.511 4.320 0.000 0.000 0.272 299 K C 0.861 177.442 176.600 -0.031 0.000 1.001 299 K CA -0.479 55.803 56.287 -0.010 0.000 0.915 299 K CB 1.648 34.145 32.500 -0.004 0.000 1.047 299 K HN 0.788 nan 8.250 nan 0.000 0.458 300 K N 2.577 122.950 120.400 -0.044 0.000 2.074 300 K HA -0.280 4.041 4.320 0.000 0.000 0.209 300 K C 1.782 178.354 176.600 -0.048 0.000 1.048 300 K CA 1.944 58.196 56.287 -0.059 0.000 0.926 300 K CB 0.128 32.599 32.500 -0.048 0.000 0.713 300 K HN 0.609 nan 8.250 nan 0.000 0.444 301 Q N 0.619 120.402 119.800 -0.028 0.000 2.096 301 Q HA -0.273 4.067 4.340 0.000 0.000 0.208 301 Q C 2.418 178.411 176.000 -0.012 0.000 0.993 301 Q CA 1.897 57.689 55.803 -0.019 0.000 0.862 301 Q CB -1.430 27.302 28.738 -0.011 0.000 0.915 301 Q HN 0.508 nan 8.270 nan 0.000 0.416 302 C N 1.104 120.404 119.300 0.001 0.000 2.432 302 C HA -0.067 4.393 4.460 0.000 0.000 0.277 302 C C 2.892 177.887 174.990 0.009 0.000 1.249 302 C CA 0.697 59.737 59.018 0.035 0.000 1.725 302 C CB -1.228 26.565 27.740 0.088 0.000 2.028 302 C HN 0.571 nan 8.230 nan 0.000 0.477 303 L N 0.264 121.440 121.223 -0.078 0.000 2.083 303 L HA -0.120 4.221 4.340 0.000 0.000 0.209 303 L C 2.554 179.360 176.870 -0.108 0.000 1.083 303 L CA 1.239 55.971 54.840 -0.181 0.000 0.752 303 L CB -0.614 41.285 42.059 -0.266 0.000 0.899 303 L HN 0.387 nan 8.230 nan 0.000 0.433 304 L N -0.376 120.805 121.223 -0.069 0.000 2.005 304 L HA -0.194 4.147 4.340 0.000 0.000 0.207 304 L C 2.851 179.705 176.870 -0.027 0.000 1.072 304 L CA 1.317 56.128 54.840 -0.048 0.000 0.744 304 L CB -0.515 41.521 42.059 -0.038 0.000 0.895 304 L HN 0.220 nan 8.230 nan 0.000 0.433 305 R N 0.657 121.149 120.500 -0.013 0.000 2.127 305 R HA -0.147 4.193 4.340 0.000 0.000 0.238 305 R C 1.791 178.098 176.300 0.012 0.000 1.134 305 R CA 1.361 57.462 56.100 0.001 0.000 0.975 305 R CB -0.139 30.166 30.300 0.007 0.000 0.865 305 R HN 0.352 nan 8.270 nan 0.000 0.447 306 L N -0.166 121.071 121.223 0.024 0.000 2.628 306 L HA 0.289 4.629 4.340 0.000 0.000 0.229 306 L C 0.880 177.767 176.870 0.028 0.000 1.137 306 L CA 0.335 55.207 54.840 0.054 0.000 0.909 306 L CB 0.588 42.736 42.059 0.148 0.000 1.137 306 L HN 0.592 nan 8.230 nan 0.000 0.470 307 G N -0.066 108.729 108.800 -0.009 0.000 2.153 307 G HA2 -0.262 3.698 3.960 0.000 0.000 0.252 307 G HA3 -0.262 3.698 3.960 0.000 0.000 0.252 307 G C 0.666 175.541 174.900 -0.042 0.000 0.994 307 G CA 0.449 45.538 45.100 -0.020 0.000 0.698 307 G HN 0.173 nan 8.290 nan 0.000 0.521 308 V N -0.116 119.749 119.914 -0.080 0.000 2.446 308 V HA 0.242 4.363 4.120 0.000 0.000 0.244 308 V C 1.612 177.630 176.094 -0.126 0.000 1.039 308 V CA 1.533 63.755 62.300 -0.129 0.000 1.045 308 V CB -0.089 31.575 31.823 -0.265 0.000 0.681 308 V HN 0.411 nan 8.190 nan 0.000 0.459 309 L N 1.260 122.412 121.223 -0.118 0.000 2.295 309 L HA 0.425 4.765 4.340 0.000 0.000 0.285 309 L C 1.595 178.426 176.870 -0.065 0.000 1.035 309 L CA -0.475 54.308 54.840 -0.095 0.000 0.806 309 L CB 1.465 43.465 42.059 -0.099 0.000 1.214 309 L HN 0.246 nan 8.230 nan 0.000 0.426 310 R N 1.491 121.958 120.500 -0.054 0.000 2.093 310 R HA 0.076 4.416 4.340 0.000 0.000 0.224 310 R C 0.438 176.718 176.300 -0.034 0.000 1.101 310 R CA 0.581 56.657 56.100 -0.040 0.000 0.979 310 R CB 0.247 30.526 30.300 -0.034 0.000 0.877 310 R HN 0.645 nan 8.270 nan 0.000 0.441 311 Q N 0.505 120.284 119.800 -0.036 0.000 2.462 311 Q HA 0.121 4.462 4.340 0.000 0.000 0.285 311 Q C -1.745 174.235 176.000 -0.033 0.000 1.035 311 Q CA -0.709 55.076 55.803 -0.030 0.000 0.799 311 Q CB 2.606 31.330 28.738 -0.024 0.000 1.452 311 Q HN -0.072 nan 8.270 nan 0.000 0.404 312 D N 2.743 123.127 120.400 -0.028 0.000 2.416 312 D HA 0.251 4.891 4.640 0.000 0.000 0.240 312 D C -0.918 175.369 176.300 -0.022 0.000 1.250 312 D CA 0.174 54.158 54.000 -0.027 0.000 0.967 312 D CB -0.251 40.536 40.800 -0.022 0.000 1.059 312 D HN 0.304 nan 8.370 nan 0.000 0.512 313 L N 2.435 123.644 121.223 -0.024 0.000 2.282 313 L HA 0.227 4.567 4.340 0.000 0.000 0.288 313 L C 1.856 178.716 176.870 -0.016 0.000 1.033 313 L CA -0.671 54.158 54.840 -0.018 0.000 0.807 313 L CB 1.726 43.773 42.059 -0.019 0.000 1.209 313 L HN 0.232 nan 8.230 nan 0.000 0.423 314 S N 0.919 116.612 115.700 -0.012 0.000 2.442 314 S HA -0.085 4.385 4.470 0.000 0.000 0.236 314 S C 0.520 175.116 174.600 -0.007 0.000 1.007 314 S CA 0.378 58.572 58.200 -0.010 0.000 0.965 314 S CB -0.368 62.828 63.200 -0.007 0.000 0.773 314 S HN 0.697 nan 8.310 nan 0.000 0.504 315 E N 2.018 122.214 120.200 -0.006 0.000 2.146 315 E HA 0.234 4.585 4.350 0.000 0.000 0.282 315 E C 0.822 177.420 176.600 -0.003 0.000 0.989 315 E CA 0.131 56.530 56.400 -0.002 0.000 0.799 315 E CB 1.173 30.874 29.700 0.002 0.000 1.088 315 E HN 0.425 nan 8.360 nan 0.000 0.397 316 T N -0.065 114.490 114.554 0.001 0.000 2.788 316 T HA -0.238 4.113 4.350 0.000 0.000 0.268 316 T C 1.338 176.039 174.700 0.001 0.000 1.044 316 T CA 1.629 63.729 62.100 0.000 0.000 1.139 316 T CB -0.217 68.657 68.868 0.011 0.000 0.867 316 T HN 0.577 nan 8.240 nan 0.000 0.454 317 D N 0.642 121.048 120.400 0.011 0.000 2.269 317 D HA -0.104 4.536 4.640 0.000 0.000 0.208 317 D C 2.061 178.362 176.300 0.002 0.000 0.963 317 D CA 0.786 54.794 54.000 0.014 0.000 0.864 317 D CB -0.342 40.475 40.800 0.028 0.000 0.936 317 D HN 0.443 nan 8.370 nan 0.000 0.505 318 Q N -0.188 119.610 119.800 -0.003 0.000 2.033 318 Q HA 0.043 4.383 4.340 0.000 0.000 0.196 318 Q C 2.281 178.268 176.000 -0.023 0.000 0.970 318 Q CA 0.659 56.456 55.803 -0.010 0.000 0.828 318 Q CB -0.319 28.415 28.738 -0.008 0.000 0.895 318 Q HN 0.244 nan 8.270 nan 0.000 0.440 319 L N -0.058 121.149 121.223 -0.026 0.000 2.051 319 L HA -0.176 4.164 4.340 0.000 0.000 0.214 319 L C 1.371 178.207 176.870 -0.057 0.000 1.076 319 L CA 1.738 56.553 54.840 -0.040 0.000 0.758 319 L CB -0.123 41.912 42.059 -0.039 0.000 0.890 319 L HN 0.280 nan 8.230 nan 0.000 0.433 320 L N -0.806 120.384 121.223 -0.055 0.000 2.628 320 L HA 0.273 4.613 4.340 0.000 0.000 0.229 320 L C 1.157 177.982 176.870 -0.075 0.000 1.137 320 L CA -0.124 54.669 54.840 -0.080 0.000 0.909 320 L CB -0.760 41.253 42.059 -0.077 0.000 1.137 320 L HN 0.296 nan 8.230 nan 0.000 0.470 321 G N -0.353 108.417 108.800 -0.051 0.000 2.599 321 G HA2 0.089 4.049 3.960 0.000 0.000 0.264 321 G HA3 0.089 4.049 3.960 0.000 0.000 0.264 321 G C 0.660 175.531 174.900 -0.048 0.000 1.200 321 G CA -0.382 44.695 45.100 -0.039 0.000 0.896 321 G HN 0.031 nan 8.290 nan 0.000 0.536 322 K N -0.215 120.162 120.400 -0.038 0.000 2.152 322 K HA -0.083 4.237 4.320 0.000 0.000 0.206 322 K C 1.984 178.559 176.600 -0.043 0.000 1.048 322 K CA 1.605 57.867 56.287 -0.042 0.000 0.933 322 K CB -0.068 32.416 32.500 -0.026 0.000 0.721 322 K HN 0.431 nan 8.250 nan 0.000 0.447 323 A N -0.434 122.365 122.820 -0.036 0.000 2.508 323 A HA 0.125 4.445 4.320 0.000 0.000 0.257 323 A C 1.059 178.621 177.584 -0.037 0.000 1.226 323 A CA -0.194 51.823 52.037 -0.033 0.000 0.947 323 A CB 0.097 19.083 19.000 -0.023 0.000 1.079 323 A HN 0.240 nan 8.150 nan 0.000 0.531 324 N N -0.629 118.045 118.700 -0.044 0.000 2.325 324 N HA 0.077 4.818 4.740 0.000 0.000 0.182 324 N C -0.301 175.169 175.510 -0.066 0.000 1.088 324 N CA 0.521 53.542 53.050 -0.050 0.000 0.879 324 N CB 0.378 38.836 38.487 -0.048 0.000 0.983 324 N HN 0.085 nan 8.380 nan 0.000 0.471 325 V N 1.588 121.456 119.914 -0.076 0.000 2.407 325 V HA 0.292 4.412 4.120 0.000 0.000 0.278 325 V C -0.256 175.788 176.094 -0.083 0.000 1.037 325 V CA -0.865 61.377 62.300 -0.096 0.000 0.900 325 V CB 1.593 33.343 31.823 -0.122 0.000 0.983 325 V HN -0.151 nan 8.190 nan 0.000 0.459 326 V N 8.361 128.227 119.914 -0.081 0.000 2.353 326 V HA 0.190 4.310 4.120 0.000 0.000 0.264 326 V C -1.316 174.737 176.094 -0.070 0.000 1.049 326 V CA -1.189 61.073 62.300 -0.064 0.000 0.896 326 V CB 1.018 32.812 31.823 -0.048 0.000 1.025 326 V HN 0.744 nan 8.190 nan 0.000 0.475 327 P HA -0.152 nan 4.420 nan 0.000 0.215 327 P C 1.339 178.590 177.300 -0.081 0.000 1.157 327 P CA 1.222 64.266 63.100 -0.094 0.000 0.874 327 P CB 0.395 32.041 31.700 -0.091 0.000 0.790 328 E N 0.192 120.364 120.200 -0.048 0.000 2.085 328 E HA -0.162 4.188 4.350 0.000 0.000 0.194 328 E C 2.175 178.782 176.600 0.012 0.000 0.994 328 E CA 1.784 58.174 56.400 -0.017 0.000 0.801 328 E CB -1.353 28.345 29.700 -0.004 0.000 0.743 328 E HN 0.226 nan 8.360 nan 0.000 0.453 329 A N 0.933 123.755 122.820 0.005 0.000 1.929 329 A HA -0.028 4.292 4.320 0.000 0.000 0.216 329 A C 2.157 179.780 177.584 0.065 0.000 1.176 329 A CA 0.708 52.766 52.037 0.034 0.000 0.628 329 A CB -0.546 18.458 19.000 0.007 0.000 0.816 329 A HN 0.253 nan 8.150 nan 0.000 0.444 330 L N -0.498 120.725 121.223 -0.000 0.000 2.042 330 L HA -0.275 4.065 4.340 0.000 0.000 0.210 330 L C 2.704 179.648 176.870 0.124 0.000 1.076 330 L CA 2.087 56.928 54.840 0.002 0.000 0.749 330 L CB -0.493 41.515 42.059 -0.085 0.000 0.893 330 L HN 0.538 nan 8.230 nan 0.000 0.432 331 Q N -0.978 118.852 119.800 0.051 0.000 2.079 331 Q HA -0.239 4.102 4.340 0.000 0.000 0.200 331 Q C 2.277 178.502 176.000 0.375 0.000 0.974 331 Q CA 1.411 57.284 55.803 0.116 0.000 0.840 331 Q CB -0.105 28.572 28.738 -0.102 0.000 0.898 331 Q HN 0.383 nan 8.270 nan 0.000 0.430 332 R N -0.102 120.540 120.500 0.236 0.000 2.092 332 R HA -0.145 4.195 4.340 0.000 0.000 0.231 332 R C 2.043 178.468 176.300 0.209 0.000 1.119 332 R CA 1.152 57.372 56.100 0.199 0.000 0.970 332 R CB -0.190 30.190 30.300 0.132 0.000 0.864 332 R HN 0.263 nan 8.270 nan 0.000 0.440 333 F N 0.633 120.630 119.950 0.078 0.000 2.146 333 F HA -0.088 4.439 4.527 0.000 0.000 0.298 333 F C 2.069 177.913 175.800 0.073 0.000 1.096 333 F CA 1.610 59.640 58.000 0.050 0.000 1.275 333 F CB -0.174 38.844 39.000 0.030 0.000 1.008 333 F HN 0.059 nan 8.300 nan 0.000 0.480 334 A N 0.317 123.364 122.820 0.378 0.000 1.970 334 A HA -0.074 4.246 4.320 0.000 0.000 0.216 334 A C 2.321 179.983 177.584 0.129 0.000 1.170 334 A CA 1.097 53.304 52.037 0.284 0.000 0.645 334 A CB -0.718 18.544 19.000 0.437 0.000 0.816 334 A HN 0.428 nan 8.150 nan 0.000 0.447 335 R N -0.296 120.321 120.500 0.195 0.000 2.081 335 R HA -0.099 4.241 4.340 0.000 0.000 0.235 335 R C 2.306 178.471 176.300 -0.224 0.000 1.131 335 R CA 1.312 57.361 56.100 -0.085 0.000 0.960 335 R CB -0.327 29.971 30.300 -0.004 0.000 0.856 335 R HN 0.454 nan 8.270 nan 0.000 0.436 336 A N 0.645 123.376 122.820 -0.147 0.000 1.902 336 A HA -0.109 4.211 4.320 0.000 0.000 0.217 336 A C 2.310 179.755 177.584 -0.232 0.000 1.181 336 A CA 1.696 53.621 52.037 -0.187 0.000 0.623 336 A CB -0.681 18.210 19.000 -0.182 0.000 0.818 336 A HN 0.509 nan 8.150 nan 0.000 0.443 337 A N -0.132 122.507 122.820 -0.302 0.000 1.873 337 A HA 0.184 4.505 4.320 0.000 0.000 0.215 337 A C 2.541 179.989 177.584 -0.225 0.000 1.186 337 A CA 2.122 54.010 52.037 -0.247 0.000 0.616 337 A CB -1.134 17.707 19.000 -0.265 0.000 0.823 337 A HN 1.073 nan 8.150 nan 0.000 0.442 338 A N -0.020 122.514 122.820 -0.475 0.000 1.883 338 A HA -0.261 4.059 4.320 0.000 0.000 0.217 338 A C 1.987 179.187 177.584 -0.639 0.000 1.186 338 A CA 2.041 53.489 52.037 -0.982 0.000 0.624 338 A CB -0.716 17.323 19.000 -1.601 0.000 0.822 338 A HN 0.650 nan 8.150 nan 0.000 0.444 339 D N -1.377 118.731 120.400 -0.487 0.000 2.097 339 D HA -0.186 4.454 4.640 0.000 0.000 0.195 339 D C 1.848 177.981 176.300 -0.277 0.000 0.989 339 D CA 1.581 55.365 54.000 -0.360 0.000 0.827 339 D CB -0.211 40.425 40.800 -0.273 0.000 0.966 339 D HN 0.391 nan 8.370 nan 0.000 0.456 340 F N 1.684 121.443 119.950 -0.319 0.000 2.102 340 F HA -0.085 4.442 4.527 0.000 0.000 0.298 340 F C 2.344 177.898 175.800 -0.410 0.000 1.105 340 F CA 1.898 59.707 58.000 -0.318 0.000 1.239 340 F CB -0.465 38.367 39.000 -0.281 0.000 0.991 340 F HN 0.013 nan 8.300 nan 0.000 0.474 341 A N -0.615 122.119 122.820 -0.145 0.000 1.978 341 A HA -0.200 4.120 4.320 0.000 0.000 0.220 341 A C 1.999 179.357 177.584 -0.378 0.000 1.170 341 A CA 2.292 54.285 52.037 -0.072 0.000 0.636 341 A CB -1.414 17.669 19.000 0.138 0.000 0.810 341 A HN 0.538 nan 8.150 nan 0.000 0.448 342 T N -5.694 108.617 114.554 -0.404 0.000 3.044 342 T HA 0.186 4.537 4.350 0.000 0.000 0.260 342 T C 0.347 174.929 174.700 -0.198 0.000 1.019 342 T CA 0.430 62.369 62.100 -0.268 0.000 0.921 342 T CB -0.392 68.300 68.868 -0.293 0.000 1.053 342 T HN 0.613 nan 8.240 nan 0.000 0.533 343 H N 1.286 120.194 119.070 -0.269 0.000 2.713 343 H HA -0.194 4.362 4.556 0.000 0.000 0.311 343 H C 1.625 176.838 175.328 -0.191 0.000 1.175 343 H CA 0.730 56.620 56.048 -0.263 0.000 1.143 343 H CB -2.041 27.573 29.762 -0.246 0.000 1.434 343 H HN 0.863 nan 8.280 nan 0.000 0.418 344 G N -0.344 108.365 108.800 -0.151 0.000 2.196 344 G HA2 -0.455 3.505 3.960 0.000 0.000 0.268 344 G HA3 -0.455 3.505 3.960 0.000 0.000 0.268 344 G C 1.276 176.103 174.900 -0.121 0.000 0.975 344 G CA 1.207 46.223 45.100 -0.139 0.000 0.648 344 G HN 0.481 nan 8.290 nan 0.000 0.538 345 K N -0.650 119.686 120.400 -0.106 0.000 2.283 345 K HA 0.224 4.544 4.320 0.000 0.000 0.202 345 K C 2.265 178.796 176.600 -0.115 0.000 1.048 345 K CA 0.769 57.005 56.287 -0.086 0.000 0.948 345 K CB -0.215 32.252 32.500 -0.055 0.000 0.742 345 K HN 0.350 nan 8.250 nan 0.000 0.458 346 L N -0.714 120.396 121.223 -0.188 0.000 2.376 346 L HA 0.106 4.446 4.340 0.000 0.000 0.219 346 L C 1.185 177.962 176.870 -0.156 0.000 1.133 346 L CA 1.419 56.122 54.840 -0.229 0.000 0.816 346 L CB -1.038 40.785 42.059 -0.392 0.000 0.933 346 L HN 0.399 nan 8.230 nan 0.000 0.449 347 G N -0.344 108.370 108.800 -0.144 0.000 2.484 347 G HA2 -0.245 3.715 3.960 0.000 0.000 0.225 347 G HA3 -0.245 3.715 3.960 0.000 0.000 0.225 347 G C -0.233 174.587 174.900 -0.133 0.000 1.250 347 G CA -0.400 44.638 45.100 -0.104 0.000 0.926 347 G HN 0.199 nan 8.290 nan 0.000 0.581 348 K N 0.957 121.300 120.400 -0.096 0.000 2.292 348 K HA 0.435 4.755 4.320 0.000 0.000 0.290 348 K C 0.532 177.055 176.600 -0.128 0.000 1.083 348 K CA -0.290 55.934 56.287 -0.106 0.000 0.918 348 K CB 0.705 33.173 32.500 -0.054 0.000 1.089 348 K HN 0.405 nan 8.250 nan 0.000 0.473 349 L N 2.666 123.739 121.223 -0.250 0.000 2.490 349 L HA 0.045 4.385 4.340 0.000 0.000 0.274 349 L C 0.663 177.454 176.870 -0.133 0.000 1.201 349 L CA 0.411 55.038 54.840 -0.356 0.000 0.869 349 L CB 0.197 41.689 42.059 -0.944 0.000 1.123 349 L HN 0.679 nan 8.230 nan 0.000 0.484 350 E N 2.981 123.214 120.200 0.055 0.000 2.210 350 E HA 0.325 4.675 4.350 0.000 0.000 0.266 350 E C -1.180 175.614 176.600 0.322 0.000 0.883 350 E CA -0.809 55.696 56.400 0.174 0.000 0.761 350 E CB 1.220 31.005 29.700 0.142 0.000 1.156 350 E HN 0.256 nan 8.360 nan 0.000 0.412 351 F N 2.173 122.323 119.950 0.332 0.000 2.529 351 F HA 0.206 4.733 4.527 0.000 0.000 0.365 351 F C 1.127 176.971 175.800 0.074 0.000 1.102 351 F CA 0.108 58.174 58.000 0.111 0.000 1.271 351 F CB 0.819 39.823 39.000 0.006 0.000 1.120 351 F HN 0.534 nan 8.300 nan 0.000 0.579 352 A N 3.417 126.370 122.820 0.222 0.000 2.292 352 A HA 0.406 4.726 4.320 0.000 0.000 0.265 352 A C -0.470 177.213 177.584 0.166 0.000 1.133 352 A CA -0.488 51.632 52.037 0.138 0.000 0.807 352 A CB 0.346 19.364 19.000 0.030 0.000 1.102 352 A HN 0.783 nan 8.150 nan 0.000 0.502 353 Q N -0.030 119.862 119.800 0.154 0.000 2.337 353 Q HA 0.395 4.735 4.340 0.000 0.000 0.266 353 Q C -1.041 175.066 176.000 0.177 0.000 1.023 353 Q CA -0.879 55.007 55.803 0.140 0.000 0.829 353 Q CB 1.804 30.609 28.738 0.111 0.000 1.306 353 Q HN 0.829 nan 8.270 nan 0.000 0.449 354 D N 0.731 121.203 120.400 0.120 0.000 2.447 354 D HA 0.234 4.875 4.640 0.000 0.000 0.265 354 D C -0.382 175.959 176.300 0.068 0.000 1.250 354 D CA -0.736 53.332 54.000 0.114 0.000 1.046 354 D CB 0.370 41.219 40.800 0.082 0.000 1.095 354 D HN 0.522 nan 8.370 nan 0.000 0.555 355 A N -0.216 122.626 122.820 0.037 0.000 2.535 355 A HA 0.316 4.636 4.320 0.000 0.000 0.290 355 A C 0.907 178.509 177.584 0.030 0.000 1.270 355 A CA 0.513 52.561 52.037 0.019 0.000 0.937 355 A CB -1.211 17.801 19.000 0.020 0.000 1.096 355 A HN 0.700 nan 8.150 nan 0.000 0.534 356 R N 0.994 121.510 120.500 0.026 0.000 1.905 356 R HA -0.103 4.237 4.340 0.000 0.000 0.435 356 R C 0.929 177.243 176.300 0.024 0.000 0.305 356 R CA 1.249 57.362 56.100 0.023 0.000 1.385 356 R CB -1.584 28.729 30.300 0.021 0.000 1.970 356 R HN 2.302 nan 8.270 nan 0.000 0.242 357 G N 1.110 109.932 108.800 0.035 0.000 2.160 357 G HA2 -0.313 3.648 3.960 0.000 0.000 0.251 357 G HA3 -0.313 3.648 3.960 0.000 0.000 0.251 357 G C -0.237 174.684 174.900 0.034 0.000 1.008 357 G CA 0.710 45.835 45.100 0.041 0.000 0.724 357 G HN 0.179 nan 8.290 nan 0.000 0.514 358 R N -0.510 120.006 120.500 0.026 0.000 2.782 358 R HA 0.553 4.893 4.340 0.000 0.000 0.258 358 R C -2.631 173.662 176.300 -0.010 0.000 1.055 358 R CA -2.663 53.436 56.100 -0.001 0.000 1.065 358 R CB -0.053 30.233 30.300 -0.024 0.000 1.172 358 R HN -0.006 nan 8.270 nan 0.000 0.510 359 P HA -0.061 nan 4.420 nan 0.000 0.261 359 P C -0.340 176.850 177.300 -0.183 0.000 1.183 359 P CA 0.324 63.325 63.100 -0.165 0.000 0.761 359 P CB 0.264 31.709 31.700 -0.424 0.000 0.785 360 D N 3.911 124.297 120.400 -0.024 0.000 2.551 360 D HA 0.172 4.812 4.640 0.000 0.000 0.223 360 D C -0.924 175.404 176.300 0.045 0.000 1.144 360 D CA 0.347 54.386 54.000 0.064 0.000 1.025 360 D CB -0.313 40.593 40.800 0.178 0.000 1.085 360 D HN -0.028 nan 8.370 nan 0.000 0.506 361 V N 1.403 121.278 119.914 -0.066 0.000 2.851 361 V HA 0.813 4.934 4.120 0.000 0.000 0.307 361 V C -1.578 174.489 176.094 -0.046 0.000 1.129 361 V CA -0.421 61.869 62.300 -0.016 0.000 0.932 361 V CB 1.673 33.434 31.823 -0.103 0.000 1.024 361 V HN 0.446 nan 8.190 nan 0.000 0.426 362 A N 4.829 127.644 122.820 -0.008 0.000 2.572 362 A HA 1.022 5.342 4.320 0.000 0.000 0.295 362 A C -0.575 176.757 177.584 -0.419 0.000 1.072 362 A CA -0.157 51.728 52.037 -0.254 0.000 0.691 362 A CB 1.911 20.719 19.000 -0.321 0.000 1.291 362 A HN 2.133 nan 8.150 nan 0.000 0.404 363 A N 0.616 123.089 122.820 -0.579 0.000 2.312 363 A HA 0.931 5.251 4.320 0.000 0.000 0.328 363 A C -0.972 176.189 177.584 -0.706 0.000 1.158 363 A CA -0.276 51.483 52.037 -0.464 0.000 0.821 363 A CB 0.263 19.084 19.000 -0.298 0.000 1.170 363 A HN 0.916 nan 8.150 nan 0.000 0.490 364 F N -0.363 119.516 119.950 -0.119 0.000 2.643 364 F HA 0.352 4.879 4.527 0.000 0.000 0.314 364 F C -0.257 175.476 175.800 -0.112 0.000 1.096 364 F CA -0.782 57.177 58.000 -0.068 0.000 0.953 364 F CB 1.677 40.662 39.000 -0.024 0.000 1.345 364 F HN 0.526 nan 8.300 nan 0.000 0.468 365 D N 1.274 121.801 120.400 0.213 0.000 2.352 365 D HA 0.153 4.793 4.640 0.000 0.000 0.245 365 D C -0.036 176.444 176.300 0.299 0.000 1.224 365 D CA 0.326 54.422 54.000 0.160 0.000 0.879 365 D CB 0.035 40.902 40.800 0.111 0.000 1.057 365 D HN 0.483 nan 8.370 nan 0.000 0.491 366 F N 2.134 122.085 119.950 0.001 0.000 2.692 366 F HA 0.007 4.534 4.527 0.000 0.000 0.303 366 F C 2.157 178.012 175.800 0.092 0.000 1.114 366 F CA -0.242 57.802 58.000 0.073 0.000 1.361 366 F CB 0.697 39.839 39.000 0.237 0.000 1.063 366 F HN 0.391 nan 8.300 nan 0.000 0.550 367 T N -2.678 111.982 114.554 0.176 0.000 3.082 367 T HA 0.030 4.380 4.350 0.000 0.000 0.235 367 T C 1.043 175.751 174.700 0.013 0.000 0.991 367 T CA 0.176 62.307 62.100 0.051 0.000 1.220 367 T CB -0.249 68.638 68.868 0.032 0.000 0.909 367 T HN -0.062 nan 8.240 nan 0.000 0.424 368 S N 2.299 118.018 115.700 0.032 0.000 2.481 368 S HA 0.433 4.903 4.470 0.000 0.000 0.282 368 S C -0.364 174.253 174.600 0.027 0.000 1.243 368 S CA -0.213 58.001 58.200 0.024 0.000 1.078 368 S CB -0.252 62.968 63.200 0.034 0.000 0.916 368 S HN 0.414 nan 8.310 nan 0.000 0.495 369 M N 6.184 125.795 119.600 0.019 0.000 1.960 369 M HA 0.261 4.741 4.480 0.000 0.000 0.271 369 M C -0.349 175.974 176.300 0.039 0.000 0.862 369 M CA -0.268 55.049 55.300 0.029 0.000 0.854 369 M CB 0.947 33.556 32.600 0.015 0.000 1.575 369 M HN 0.558 nan 8.290 nan 0.000 0.375 370 M N 1.772 121.400 119.600 0.048 0.000 2.232 370 M HA 0.430 4.911 4.480 0.000 0.000 0.321 370 M C -0.331 176.010 176.300 0.068 0.000 1.101 370 M CA 0.506 55.837 55.300 0.053 0.000 1.181 370 M CB 0.043 32.673 32.600 0.051 0.000 1.432 370 M HN 0.463 nan 8.290 nan 0.000 0.457 371 R N 0.313 120.860 120.500 0.079 0.000 2.522 371 R HA 0.581 4.921 4.340 0.000 0.000 0.283 371 R C -1.096 175.288 176.300 0.141 0.000 1.074 371 R CA -0.554 55.619 56.100 0.122 0.000 0.925 371 R CB 2.091 32.459 30.300 0.112 0.000 1.205 371 R HN 0.933 nan 8.270 nan 0.000 0.436 372 A N 1.996 124.913 122.820 0.161 0.000 2.498 372 A HA 0.050 4.371 4.320 0.000 0.000 0.239 372 A C 0.956 178.695 177.584 0.258 0.000 1.068 372 A CA -0.007 52.121 52.037 0.152 0.000 0.766 372 A CB 0.297 19.324 19.000 0.045 0.000 1.003 372 A HN 0.920 nan 8.150 nan 0.000 0.497 373 E N 0.583 120.904 120.200 0.201 0.000 2.077 373 E HA -0.104 4.246 4.350 0.000 0.000 0.193 373 E C 0.781 177.544 176.600 0.272 0.000 0.989 373 E CA 1.593 58.112 56.400 0.198 0.000 0.800 373 E CB 0.000 29.772 29.700 0.119 0.000 0.746 373 E HN 0.804 nan 8.360 nan 0.000 0.452 374 S N -1.068 114.771 115.700 0.231 0.000 2.599 374 S HA 0.282 4.753 4.470 0.000 0.000 0.287 374 S C 0.447 175.070 174.600 0.038 0.000 1.105 374 S CA -0.372 57.939 58.200 0.186 0.000 0.899 374 S CB 1.923 65.186 63.200 0.105 0.000 1.100 374 S HN 0.030 nan 8.310 nan 0.000 0.482 375 S N 0.070 115.674 115.700 -0.160 0.000 2.535 375 S HA 0.614 5.084 4.470 0.000 0.000 0.214 375 S C 0.508 175.127 174.600 0.032 0.000 0.980 375 S CA 0.091 58.099 58.200 -0.320 0.000 0.907 375 S CB -0.339 62.492 63.200 -0.614 0.000 0.790 375 S HN 1.577 nan 8.310 nan 0.000 0.510 376 A N 0.549 123.483 122.820 0.191 0.000 2.608 376 A HA 0.842 5.163 4.320 0.000 0.000 0.292 376 A C -0.848 176.744 177.584 0.013 0.000 1.066 376 A CA -1.046 51.095 52.037 0.173 0.000 0.676 376 A CB 1.244 20.261 19.000 0.028 0.000 1.277 376 A HN 0.298 nan 8.150 nan 0.000 0.413 377 R N -1.022 119.427 120.500 -0.086 0.000 2.752 377 R HA 0.699 5.039 4.340 0.000 0.000 0.271 377 R C -1.543 174.654 176.300 -0.170 0.000 1.026 377 R CA -0.717 55.243 56.100 -0.233 0.000 0.901 377 R CB 2.448 32.391 30.300 -0.596 0.000 1.243 377 R HN 1.184 nan 8.270 nan 0.000 0.463 378 V N -1.086 118.765 119.914 -0.104 0.000 2.709 378 V HA 0.599 4.719 4.120 0.000 0.000 0.308 378 V C -0.947 175.182 176.094 0.058 0.000 1.062 378 V CA -0.947 61.310 62.300 -0.071 0.000 0.901 378 V CB 1.946 33.721 31.823 -0.081 0.000 1.003 378 V HN 0.678 nan 8.190 nan 0.000 0.425 379 Q N 1.975 121.769 119.800 -0.011 0.000 2.377 379 Q HA 0.742 5.082 4.340 0.000 0.000 0.271 379 Q C -1.067 175.091 176.000 0.264 0.000 1.077 379 Q CA -0.537 55.312 55.803 0.076 0.000 0.820 379 Q CB 3.174 31.835 28.738 -0.128 0.000 1.347 379 Q HN 0.941 nan 8.270 nan 0.000 0.444 380 E N 1.480 121.922 120.200 0.403 0.000 2.356 380 E HA 0.564 4.914 4.350 0.000 0.000 0.275 380 E C -1.779 175.033 176.600 0.352 0.000 0.904 380 E CA -0.749 55.922 56.400 0.451 0.000 0.757 380 E CB 1.487 31.406 29.700 0.366 0.000 1.232 380 E HN 0.188 nan 8.360 nan 0.000 0.442 381 K N 1.924 122.486 120.400 0.271 0.000 2.571 381 K HA 0.245 4.566 4.320 0.000 0.000 0.252 381 K C -1.436 175.184 176.600 0.035 0.000 0.956 381 K CA -0.440 55.870 56.287 0.037 0.000 0.822 381 K CB 0.523 33.007 32.500 -0.026 0.000 1.286 381 K HN 0.702 nan 8.250 nan 0.000 0.439 382 H N 2.419 121.482 119.070 -0.011 0.000 2.626 382 H HA -0.225 4.332 4.556 0.000 0.000 0.317 382 H C 0.800 176.129 175.328 0.002 0.000 1.140 382 H CA 1.713 57.746 56.048 -0.025 0.000 1.134 382 H CB -1.128 28.590 29.762 -0.073 0.000 1.486 382 H HN 1.121 nan 8.280 nan 0.000 0.417 383 G N -1.402 107.457 108.800 0.098 0.000 2.189 383 G HA2 -0.247 3.714 3.960 0.000 0.000 0.267 383 G HA3 -0.247 3.714 3.960 0.000 0.000 0.267 383 G C 0.490 175.472 174.900 0.137 0.000 0.975 383 G CA 0.495 45.657 45.100 0.103 0.000 0.644 383 G HN 1.212 nan 8.290 nan 0.000 0.537 384 A N 0.521 123.444 122.820 0.172 0.000 2.269 384 A HA 0.769 5.090 4.320 0.000 0.000 0.302 384 A C 0.606 178.476 177.584 0.476 0.000 1.266 384 A CA -0.298 51.888 52.037 0.249 0.000 0.894 384 A CB 0.394 19.480 19.000 0.142 0.000 1.147 384 A HN 0.479 nan 8.150 nan 0.000 0.537 385 R N 1.192 121.946 120.500 0.423 0.000 2.486 385 R HA 0.611 4.951 4.340 0.000 0.000 0.286 385 R C -1.207 175.314 176.300 0.368 0.000 0.999 385 R CA -0.734 55.639 56.100 0.454 0.000 0.993 385 R CB 1.551 32.124 30.300 0.456 0.000 1.084 385 R HN 0.559 nan 8.270 nan 0.000 0.487 386 L N 3.085 124.325 121.223 0.029 0.000 2.376 386 L HA 0.390 4.730 4.340 0.000 0.000 0.275 386 L C -1.266 175.357 176.870 -0.412 0.000 0.987 386 L CA -0.480 54.161 54.840 -0.332 0.000 0.828 386 L CB 1.644 43.078 42.059 -1.041 0.000 1.249 386 L HN 0.544 nan 8.230 nan 0.000 0.409 387 L N 5.525 126.317 121.223 -0.718 0.000 2.305 387 L HA 0.495 4.835 4.340 0.000 0.000 0.281 387 L C -1.300 175.288 176.870 -0.470 0.000 1.085 387 L CA -0.600 53.695 54.840 -0.908 0.000 0.813 387 L CB 1.187 42.294 42.059 -1.588 0.000 1.157 387 L HN 0.653 nan 8.230 nan 0.000 0.436 388 L N 4.569 125.628 121.223 -0.273 0.000 2.362 388 L HA 0.739 5.079 4.340 0.000 0.000 0.275 388 L C 0.159 177.043 176.870 0.023 0.000 0.998 388 L CA -0.118 54.679 54.840 -0.072 0.000 0.820 388 L CB 1.902 44.036 42.059 0.125 0.000 1.270 388 L HN 0.588 nan 8.230 nan 0.000 0.415 389 G N 2.930 111.681 108.800 -0.082 0.000 2.620 389 G HA2 0.758 4.719 3.960 0.000 0.000 0.301 389 G HA3 0.758 4.719 3.960 0.000 0.000 0.301 389 G C -1.396 173.357 174.900 -0.245 0.000 1.347 389 G CA -0.557 44.475 45.100 -0.115 0.000 0.971 389 G HN 0.368 nan 8.290 nan 0.000 0.488 390 L N 0.970 122.010 121.223 -0.305 0.000 2.334 390 L HA 0.808 5.148 4.340 0.000 0.000 0.273 390 L C -0.526 176.197 176.870 -0.245 0.000 1.013 390 L CA -1.177 53.441 54.840 -0.371 0.000 0.816 390 L CB 2.124 43.876 42.059 -0.512 0.000 1.278 390 L HN 0.213 nan 8.230 nan 0.000 0.431 391 V N 0.630 120.423 119.914 -0.201 0.000 2.932 391 V HA 0.836 4.957 4.120 0.000 0.000 0.307 391 V C 0.338 176.366 176.094 -0.110 0.000 1.147 391 V CA 0.204 62.420 62.300 -0.138 0.000 0.951 391 V CB 1.625 33.371 31.823 -0.127 0.000 1.031 391 V HN 1.079 nan 8.190 nan 0.000 0.426 392 G N 3.761 112.517 108.800 -0.072 0.000 2.499 392 G HA2 -0.190 3.770 3.960 0.000 0.000 0.232 392 G HA3 -0.190 3.770 3.960 0.000 0.000 0.232 392 G C 0.189 175.069 174.900 -0.034 0.000 1.251 392 G CA 0.473 45.542 45.100 -0.050 0.000 0.917 392 G HN 0.667 nan 8.290 nan 0.000 0.580 393 D N 0.065 120.453 120.400 -0.020 0.000 2.263 393 D HA -0.072 4.569 4.640 0.000 0.000 0.208 393 D C 2.521 178.829 176.300 0.013 0.000 0.971 393 D CA 2.039 56.048 54.000 0.016 0.000 0.867 393 D CB -0.539 40.287 40.800 0.043 0.000 0.929 393 D HN 0.915 nan 8.370 nan 0.000 0.492 394 C N -0.830 118.456 119.300 -0.024 0.000 2.514 394 C HA 0.225 4.685 4.460 0.000 0.000 0.271 394 C C 2.283 177.225 174.990 -0.081 0.000 1.399 394 C CA -0.471 58.519 59.018 -0.047 0.000 1.765 394 C CB -1.121 26.571 27.740 -0.080 0.000 1.893 394 C HN 0.161 nan 8.230 nan 0.000 0.531 395 L N 1.680 122.855 121.223 -0.080 0.000 2.071 395 L HA 0.411 4.752 4.340 0.000 0.000 0.201 395 L C 0.656 177.552 176.870 0.043 0.000 1.076 395 L CA 1.701 56.486 54.840 -0.090 0.000 0.755 395 L CB -0.082 41.892 42.059 -0.141 0.000 0.915 395 L HN 0.245 nan 8.230 nan 0.000 0.445 396 V N 0.972 120.930 119.914 0.074 0.000 2.525 396 V HA 0.277 4.397 4.120 0.000 0.000 0.299 396 V C -0.452 175.693 176.094 0.085 0.000 1.034 396 V CA -0.930 61.439 62.300 0.116 0.000 0.863 396 V CB 1.467 33.386 31.823 0.161 0.000 0.999 396 V HN 0.269 nan 8.190 nan 0.000 0.423 397 E N 7.738 127.989 120.200 0.084 0.000 2.324 397 E HA 0.283 4.633 4.350 0.000 0.000 0.271 397 E C -2.264 174.401 176.600 0.108 0.000 1.028 397 E CA -1.294 55.160 56.400 0.091 0.000 0.890 397 E CB 1.301 31.050 29.700 0.081 0.000 1.004 397 E HN 0.457 nan 8.360 nan 0.000 0.431 398 P HA 0.107 nan 4.420 nan 0.000 0.279 398 P C -1.067 176.330 177.300 0.162 0.000 1.252 398 P CA -0.475 62.721 63.100 0.160 0.000 0.811 398 P CB 0.529 32.321 31.700 0.153 0.000 1.035 399 F N 2.551 122.498 119.950 -0.005 0.000 2.335 399 F HA 0.259 4.787 4.527 0.001 0.000 0.365 399 F C 0.655 176.411 175.800 -0.074 0.000 1.122 399 F CA -0.777 57.130 58.000 -0.156 0.000 1.151 399 F CB 0.130 39.063 39.000 -0.111 0.000 1.282 399 F HN 0.262 nan 8.300 nan 0.000 0.513 400 W N 4.698 125.497 121.300 -0.834 0.000 2.302 400 W HA -0.166 4.495 4.660 0.001 0.000 0.320 400 W C -0.442 175.748 176.519 -0.549 0.000 1.241 400 W CA 1.364 58.344 57.345 -0.608 0.000 1.264 400 W CB -2.410 26.723 29.460 -0.546 0.000 1.154 400 W HN 0.426 nan 8.180 nan 0.000 0.483 401 P HA -0.143 nan 4.420 nan 0.000 0.222 401 P C 1.609 178.837 177.300 -0.120 0.000 1.142 401 P CA 1.492 64.393 63.100 -0.332 0.000 0.788 401 P CB -0.328 31.131 31.700 -0.402 0.000 0.767 402 L N -2.814 118.359 121.223 -0.083 0.000 2.592 402 L HA 0.256 4.597 4.340 0.000 0.000 0.227 402 L C 1.206 178.181 176.870 0.175 0.000 1.127 402 L CA 0.496 55.412 54.840 0.126 0.000 0.884 402 L CB -0.904 41.324 42.059 0.282 0.000 1.065 402 L HN 0.094 nan 8.230 nan 0.000 0.457 403 G N 0.502 109.391 108.800 0.148 0.000 2.246 403 G HA2 -0.288 3.672 3.960 0.000 0.000 0.273 403 G HA3 -0.288 3.672 3.960 0.000 0.000 0.273 403 G C 0.679 175.781 174.900 0.337 0.000 1.055 403 G CA 0.719 45.979 45.100 0.266 0.000 0.851 403 G HN 0.273 nan 8.290 nan 0.000 0.500 404 T N -1.244 113.425 114.554 0.191 0.000 2.990 404 T HA 0.301 4.652 4.350 0.000 0.000 0.249 404 T C 2.548 177.158 174.700 -0.150 0.000 1.039 404 T CA 1.447 63.616 62.100 0.115 0.000 1.036 404 T CB -0.205 68.816 68.868 0.255 0.000 0.994 404 T HN 0.836 nan 8.240 nan 0.000 0.489 405 G N 1.360 110.097 108.800 -0.105 0.000 2.553 405 G HA2 -0.215 3.746 3.960 0.000 0.000 0.218 405 G HA3 -0.215 3.746 3.960 0.000 0.000 0.218 405 G C 1.561 176.285 174.900 -0.293 0.000 1.195 405 G CA 1.492 46.499 45.100 -0.154 0.000 0.779 405 G HN 0.448 nan 8.290 nan 0.000 0.577 406 V N 1.465 121.114 119.914 -0.442 0.000 2.307 406 V HA -0.052 4.068 4.120 0.000 0.000 0.245 406 V C 3.313 178.936 176.094 -0.785 0.000 1.045 406 V CA 1.966 63.857 62.300 -0.682 0.000 1.024 406 V CB -0.976 30.345 31.823 -0.836 0.000 0.651 406 V HN 0.520 nan 8.190 nan 0.000 0.449 407 A N 0.665 122.975 122.820 -0.851 0.000 1.851 407 A HA -0.217 4.103 4.320 0.000 0.000 0.216 407 A C 2.376 179.753 177.584 -0.344 0.000 1.195 407 A CA 1.865 53.388 52.037 -0.856 0.000 0.622 407 A CB -0.490 17.285 19.000 -2.041 0.000 0.831 407 A HN 0.488 nan 8.150 nan 0.000 0.444 408 R N -0.787 119.492 120.500 -0.368 0.000 2.115 408 R HA -0.057 4.283 4.340 0.000 0.000 0.226 408 R C 2.338 178.615 176.300 -0.037 0.000 1.100 408 R CA 1.057 57.096 56.100 -0.102 0.000 0.980 408 R CB -0.890 29.393 30.300 -0.028 0.000 0.875 408 R HN 0.528 nan 8.270 nan 0.000 0.445 409 G N 1.125 109.875 108.800 -0.084 0.000 2.440 409 G HA2 -0.244 3.716 3.960 0.000 0.000 0.218 409 G HA3 -0.244 3.716 3.960 0.000 0.000 0.218 409 G C 1.092 176.029 174.900 0.061 0.000 1.154 409 G CA 0.402 45.489 45.100 -0.021 0.000 0.767 409 G HN 0.135 nan 8.290 nan 0.000 0.552 410 F N 0.693 120.483 119.950 -0.266 0.000 2.259 410 F HA 0.196 4.723 4.527 0.000 0.000 0.298 410 F C 2.600 177.980 175.800 -0.700 0.000 1.088 410 F CA 0.047 57.766 58.000 -0.468 0.000 1.358 410 F CB -0.510 38.288 39.000 -0.337 0.000 1.040 410 F HN 0.042 nan 8.300 nan 0.000 0.505 411 L N -0.920 120.258 121.223 -0.075 0.000 2.109 411 L HA -0.126 4.214 4.340 0.000 0.000 0.207 411 L C 2.622 179.505 176.870 0.022 0.000 1.086 411 L CA 1.036 55.859 54.840 -0.028 0.000 0.760 411 L CB -0.920 41.212 42.059 0.123 0.000 0.910 411 L HN 0.061 nan 8.230 nan 0.000 0.437 412 A N 0.084 122.912 122.820 0.012 0.000 1.969 412 A HA -0.112 4.208 4.320 0.000 0.000 0.218 412 A C 2.525 180.097 177.584 -0.019 0.000 1.169 412 A CA 1.547 53.599 52.037 0.024 0.000 0.635 412 A CB -0.535 18.462 19.000 -0.004 0.000 0.810 412 A HN 0.383 nan 8.150 nan 0.000 0.445 413 A N -0.741 122.005 122.820 -0.124 0.000 1.898 413 A HA 0.059 4.379 4.320 0.000 0.000 0.216 413 A C 1.879 179.482 177.584 0.032 0.000 1.181 413 A CA 1.529 53.487 52.037 -0.133 0.000 0.620 413 A CB -0.675 18.144 19.000 -0.302 0.000 0.819 413 A HN 0.426 nan 8.150 nan 0.000 0.442 414 F N 0.837 120.820 119.950 0.056 0.000 2.113 414 F HA -0.087 4.440 4.527 0.000 0.000 0.297 414 F C 2.036 177.913 175.800 0.127 0.000 1.103 414 F CA 0.986 59.029 58.000 0.072 0.000 1.248 414 F CB -1.066 37.952 39.000 0.030 0.000 0.999 414 F HN 0.210 nan 8.300 nan 0.000 0.475 415 D N 0.059 120.647 120.400 0.314 0.000 2.144 415 D HA -0.094 4.546 4.640 0.000 0.000 0.200 415 D C 2.348 178.809 176.300 0.267 0.000 0.978 415 D CA 1.371 55.550 54.000 0.298 0.000 0.833 415 D CB -0.514 40.435 40.800 0.250 0.000 0.961 415 D HN 0.210 nan 8.370 nan 0.000 0.470 416 A N 0.939 123.855 122.820 0.161 0.000 1.898 416 A HA 0.035 4.355 4.320 0.000 0.000 0.216 416 A C 2.296 179.939 177.584 0.099 0.000 1.181 416 A CA 1.924 54.011 52.037 0.083 0.000 0.620 416 A CB -0.622 18.377 19.000 -0.003 0.000 0.819 416 A HN 0.221 nan 8.150 nan 0.000 0.442 417 A N -1.724 121.185 122.820 0.149 0.000 1.898 417 A HA -0.147 4.173 4.320 0.000 0.000 0.216 417 A C 1.966 179.660 177.584 0.185 0.000 1.181 417 A CA 1.473 53.603 52.037 0.155 0.000 0.620 417 A CB -0.860 18.262 19.000 0.203 0.000 0.819 417 A HN 0.790 nan 8.150 nan 0.000 0.442 418 W N 0.234 121.579 121.300 0.075 0.000 2.358 418 W HA -0.198 4.462 4.660 0.000 0.000 0.303 418 W C 2.304 178.859 176.519 0.059 0.000 1.208 418 W CA 2.075 59.450 57.345 0.051 0.000 1.274 418 W CB -0.185 29.304 29.460 0.048 0.000 1.138 418 W HN 0.396 nan 8.180 nan 0.000 0.515 419 M N -0.371 119.315 119.600 0.143 0.000 2.117 419 M HA -0.220 4.260 4.480 0.000 0.000 0.262 419 M C 1.648 177.924 176.300 -0.039 0.000 1.065 419 M CA 2.150 57.457 55.300 0.011 0.000 1.114 419 M CB -0.607 32.038 32.600 0.075 0.000 1.361 419 M HN -0.113 nan 8.290 nan 0.000 0.408 420 V N 1.080 120.984 119.914 -0.017 0.000 2.287 420 V HA -0.317 3.803 4.120 0.000 0.000 0.248 420 V C 2.464 178.584 176.094 0.042 0.000 1.053 420 V CA 2.240 64.546 62.300 0.011 0.000 1.027 420 V CB -1.025 30.801 31.823 0.005 0.000 0.646 420 V HN 0.550 nan 8.190 nan 0.000 0.447 421 K N -0.032 120.332 120.400 -0.059 0.000 2.044 421 K HA -0.244 4.076 4.320 0.000 0.000 0.210 421 K C 2.425 178.910 176.600 -0.191 0.000 1.049 421 K CA 1.592 57.802 56.287 -0.128 0.000 0.927 421 K CB -0.118 32.245 32.500 -0.228 0.000 0.713 421 K HN 0.293 nan 8.250 nan 0.000 0.443 422 R N 0.089 120.386 120.500 -0.339 0.000 2.092 422 R HA -0.165 4.175 4.340 0.000 0.000 0.231 422 R C 2.082 178.338 176.300 -0.074 0.000 1.119 422 R CA 1.197 57.114 56.100 -0.304 0.000 0.970 422 R CB -0.858 29.178 30.300 -0.440 0.000 0.864 422 R HN 0.591 nan 8.270 nan 0.000 0.440 423 W N 1.702 122.894 121.300 -0.179 0.000 2.381 423 W HA -0.110 4.550 4.660 0.000 0.000 0.301 423 W C 1.688 178.154 176.519 -0.089 0.000 1.205 423 W CA 1.642 58.917 57.345 -0.116 0.000 1.285 423 W CB -0.182 29.223 29.460 -0.091 0.000 1.133 423 W HN 0.078 nan 8.180 nan 0.000 0.521 424 A N 1.376 124.265 122.820 0.114 0.000 1.969 424 A HA -0.244 4.076 4.320 0.000 0.000 0.218 424 A C 1.804 179.343 177.584 -0.074 0.000 1.169 424 A CA 1.726 53.771 52.037 0.013 0.000 0.635 424 A CB -0.988 18.058 19.000 0.077 0.000 0.810 424 A HN 0.596 nan 8.150 nan 0.000 0.445 425 E N -0.853 119.296 120.200 -0.085 0.000 2.463 425 E HA 0.361 4.712 4.350 0.000 0.000 0.191 425 E C 0.971 177.502 176.600 -0.115 0.000 1.083 425 E CA 0.548 56.892 56.400 -0.092 0.000 0.872 425 E CB -0.347 29.300 29.700 -0.087 0.000 0.966 425 E HN 0.660 nan 8.360 nan 0.000 0.491 426 G N 1.290 109.989 108.800 -0.167 0.000 2.955 426 G HA2 -0.241 3.719 3.960 0.000 0.000 0.230 426 G HA3 -0.241 3.719 3.960 0.000 0.000 0.230 426 G C 0.865 175.645 174.900 -0.198 0.000 1.587 426 G CA 1.200 46.186 45.100 -0.190 0.000 1.216 426 G HN 1.141 nan 8.290 nan 0.000 0.527 427 A N -1.306 121.434 122.820 -0.134 0.000 1.467 427 A HA 0.469 4.789 4.320 0.000 0.000 0.224 427 A C 1.802 179.328 177.584 -0.097 0.000 0.419 427 A CA 2.711 54.688 52.037 -0.099 0.000 1.100 427 A CB -1.889 17.059 19.000 -0.086 0.000 1.463 427 A HN 3.557 nan 8.150 nan 0.000 0.719 428 G N -2.992 105.718 108.800 -0.150 0.000 2.784 428 G HA2 0.311 4.271 3.960 0.000 0.000 0.686 428 G HA3 0.311 4.271 3.960 0.000 0.000 0.686 428 G C -1.378 173.463 174.900 -0.097 0.000 1.156 428 G CA 0.249 45.258 45.100 -0.150 0.000 0.757 428 G HN 0.792 nan 8.290 nan 0.000 0.642 429 P HA -0.098 nan 4.420 nan 0.000 0.214 429 P C 2.339 179.569 177.300 -0.118 0.000 1.163 429 P CA 1.339 64.362 63.100 -0.127 0.000 0.889 429 P CB 0.091 31.443 31.700 -0.580 0.000 0.790 430 L N -1.175 119.976 121.223 -0.121 0.000 2.141 430 L HA -0.150 4.190 4.340 0.000 0.000 0.209 430 L C 2.566 179.443 176.870 0.012 0.000 1.094 430 L CA 1.273 56.099 54.840 -0.023 0.000 0.763 430 L CB -0.716 41.366 42.059 0.038 0.000 0.908 430 L HN -0.028 nan 8.230 nan 0.000 0.437 431 E N 0.178 120.382 120.200 0.007 0.000 2.072 431 E HA -0.146 4.204 4.350 0.000 0.000 0.190 431 E C 2.107 178.731 176.600 0.040 0.000 0.982 431 E CA 1.183 57.597 56.400 0.023 0.000 0.803 431 E CB -0.140 29.563 29.700 0.006 0.000 0.755 431 E HN 0.145 nan 8.360 nan 0.000 0.453 432 V N 1.004 120.944 119.914 0.044 0.000 2.287 432 V HA -0.281 3.839 4.120 0.000 0.000 0.248 432 V C 2.498 178.635 176.094 0.072 0.000 1.053 432 V CA 1.899 64.242 62.300 0.072 0.000 1.027 432 V CB -0.555 31.366 31.823 0.164 0.000 0.646 432 V HN 0.332 nan 8.190 nan 0.000 0.447 433 L N -0.098 121.156 121.223 0.051 0.000 2.017 433 L HA -0.179 4.161 4.340 0.000 0.000 0.208 433 L C 2.777 179.686 176.870 0.066 0.000 1.073 433 L CA 1.724 56.590 54.840 0.044 0.000 0.745 433 L CB -0.957 41.114 42.059 0.020 0.000 0.894 433 L HN 0.378 nan 8.230 nan 0.000 0.432 434 A N 0.081 122.940 122.820 0.064 0.000 1.883 434 A HA -0.237 4.084 4.320 0.000 0.000 0.217 434 A C 2.156 179.795 177.584 0.092 0.000 1.186 434 A CA 1.842 53.921 52.037 0.070 0.000 0.624 434 A CB -0.505 18.530 19.000 0.059 0.000 0.822 434 A HN 0.463 nan 8.150 nan 0.000 0.444 435 E N -1.040 119.228 120.200 0.114 0.000 2.051 435 E HA -0.233 4.117 4.350 0.000 0.000 0.192 435 E C 2.299 179.013 176.600 0.191 0.000 0.991 435 E CA 1.370 57.873 56.400 0.173 0.000 0.799 435 E CB -0.151 29.697 29.700 0.247 0.000 0.748 435 E HN 0.496 nan 8.360 nan 0.000 0.449 436 R N 1.329 121.933 120.500 0.174 0.000 2.091 436 R HA -0.155 4.185 4.340 0.000 0.000 0.238 436 R C 1.906 178.300 176.300 0.156 0.000 1.136 436 R CA 1.459 57.660 56.100 0.168 0.000 0.959 436 R CB -0.109 30.261 30.300 0.117 0.000 0.856 436 R HN 0.052 nan 8.270 nan 0.000 0.437 437 E N -0.182 120.102 120.200 0.140 0.000 2.208 437 E HA -0.045 4.305 4.350 0.000 0.000 0.193 437 E C 1.966 178.640 176.600 0.123 0.000 0.988 437 E CA 1.117 57.618 56.400 0.168 0.000 0.828 437 E CB -0.057 29.724 29.700 0.136 0.000 0.763 437 E HN 0.300 nan 8.360 nan 0.000 0.478 438 S N 0.952 116.702 115.700 0.084 0.000 2.383 438 S HA -0.051 4.419 4.470 0.000 0.000 0.227 438 S C 2.098 176.688 174.600 -0.017 0.000 1.026 438 S CA 0.633 58.851 58.200 0.030 0.000 0.981 438 S CB -0.102 63.118 63.200 0.034 0.000 0.818 438 S HN 0.203 nan 8.310 nan 0.000 0.472 439 L N -0.247 120.985 121.223 0.014 0.000 2.056 439 L HA -0.081 4.259 4.340 0.000 0.000 0.207 439 L C 2.375 179.221 176.870 -0.040 0.000 1.078 439 L CA 1.315 56.108 54.840 -0.079 0.000 0.749 439 L CB -0.642 41.438 42.059 0.034 0.000 0.901 439 L HN 0.303 nan 8.230 nan 0.000 0.433 440 Y N 1.320 121.590 120.300 -0.050 0.000 2.256 440 Y HA -0.259 4.292 4.550 0.001 0.000 0.288 440 Y C 2.554 178.430 175.900 -0.041 0.000 1.155 440 Y CA 1.317 59.404 58.100 -0.022 0.000 1.203 440 Y CB -0.459 38.011 38.460 0.017 0.000 0.980 440 Y HN 0.235 nan 8.280 nan 0.000 0.530 441 Q N -0.391 119.315 119.800 -0.158 0.000 2.291 441 Q HA -0.126 4.215 4.340 0.000 0.000 0.206 441 Q C 1.923 177.793 176.000 -0.216 0.000 0.976 441 Q CA 1.365 57.023 55.803 -0.242 0.000 0.875 441 Q CB -0.087 28.571 28.738 -0.133 0.000 0.927 441 Q HN 0.530 nan 8.270 nan 0.000 0.450 442 L N -0.469 120.631 121.223 -0.205 0.000 2.375 442 L HA -0.032 4.308 4.340 0.000 0.000 0.215 442 L C 2.141 178.960 176.870 -0.086 0.000 1.108 442 L CA 0.055 54.787 54.840 -0.180 0.000 0.830 442 L CB -0.280 41.580 42.059 -0.331 0.000 0.959 442 L HN 0.227 nan 8.230 nan 0.000 0.457 443 L N 0.577 121.765 121.223 -0.059 0.000 1.990 443 L HA -0.249 4.091 4.340 0.000 0.000 0.213 443 L C 2.686 179.615 176.870 0.099 0.000 1.072 443 L CA 2.263 57.154 54.840 0.085 0.000 0.755 443 L CB -0.187 41.990 42.059 0.197 0.000 0.889 443 L HN 0.483 nan 8.230 nan 0.000 0.432 444 S N -1.697 114.017 115.700 0.022 0.000 2.561 444 S HA -0.112 4.358 4.470 0.000 0.000 0.225 444 S C 1.257 175.899 174.600 0.070 0.000 0.977 444 S CA 0.299 58.530 58.200 0.051 0.000 0.926 444 S CB 0.011 63.208 63.200 -0.006 0.000 0.769 444 S HN 0.512 nan 8.310 nan 0.000 0.533 445 Q N 2.068 121.905 119.800 0.062 0.000 2.198 445 Q HA 0.225 4.565 4.340 0.000 0.000 0.209 445 Q C 0.243 176.328 176.000 0.142 0.000 0.848 445 Q CA 0.045 55.896 55.803 0.080 0.000 0.974 445 Q CB 0.601 29.358 28.738 0.031 0.000 1.115 445 Q HN 0.672 nan 8.270 nan 0.000 0.494 446 T N -0.813 113.878 114.554 0.228 0.000 2.926 446 T HA 0.449 4.799 4.350 0.000 0.000 0.307 446 T C 0.365 175.290 174.700 0.375 0.000 1.059 446 T CA -0.312 61.992 62.100 0.341 0.000 1.122 446 T CB 1.212 70.362 68.868 0.470 0.000 0.972 446 T HN 0.189 nan 8.240 nan 0.000 0.545 447 S N 1.135 116.956 115.700 0.202 0.000 2.579 447 S HA 0.564 5.034 4.470 0.000 0.000 0.272 447 S C -2.658 171.797 174.600 -0.241 0.000 1.141 447 S CA -1.543 56.557 58.200 -0.166 0.000 0.843 447 S CB 1.820 64.953 63.200 -0.111 0.000 1.122 447 S HN 0.364 nan 8.310 nan 0.000 0.468 448 P HA -0.019 nan 4.420 nan 0.000 0.218 448 P C 0.839 178.099 177.300 -0.067 0.000 1.149 448 P CA 1.211 64.190 63.100 -0.202 0.000 0.817 448 P CB 0.042 31.566 31.700 -0.293 0.000 0.785 449 E N -0.059 120.076 120.200 -0.108 0.000 2.110 449 E HA -0.164 4.186 4.350 0.000 0.000 0.193 449 E C 1.458 178.050 176.600 -0.013 0.000 0.988 449 E CA 1.391 57.761 56.400 -0.050 0.000 0.804 449 E CB -0.914 28.750 29.700 -0.059 0.000 0.745 449 E HN 0.437 nan 8.360 nan 0.000 0.458 450 N N -0.496 118.207 118.700 0.005 0.000 2.336 450 N HA 0.022 4.762 4.740 0.000 0.000 0.189 450 N C 0.260 175.806 175.510 0.059 0.000 1.113 450 N CA 0.197 53.264 53.050 0.028 0.000 0.858 450 N CB 0.078 38.587 38.487 0.036 0.000 0.970 450 N HN 0.090 nan 8.380 nan 0.000 0.471 451 M N -0.351 119.306 119.600 0.094 0.000 2.513 451 M HA 0.221 4.701 4.480 0.000 0.000 0.291 451 M C 0.309 176.670 176.300 0.102 0.000 1.190 451 M CA -0.819 54.557 55.300 0.125 0.000 0.960 451 M CB 0.752 33.470 32.600 0.196 0.000 1.517 451 M HN 0.005 nan 8.290 nan 0.000 0.499 452 H N 2.292 121.387 119.070 0.043 0.000 3.038 452 H HA 0.014 4.570 4.556 0.001 0.000 0.338 452 H C -0.336 175.117 175.328 0.209 0.000 1.041 452 H CA 0.781 56.879 56.048 0.084 0.000 1.394 452 H CB 0.413 30.171 29.762 -0.006 0.000 1.357 452 H HN 0.363 nan 8.280 nan 0.000 0.600 453 R N 3.239 123.881 120.500 0.236 0.000 2.349 453 R HA 0.162 4.502 4.340 0.000 0.000 0.299 453 R C -0.157 176.252 176.300 0.181 0.000 1.027 453 R CA -0.781 55.414 56.100 0.159 0.000 0.958 453 R CB 0.220 30.563 30.300 0.072 0.000 1.047 453 R HN 0.751 nan 8.270 nan 0.000 0.468 454 N N 1.438 120.183 118.700 0.074 0.000 3.451 454 N HA -0.123 4.618 4.740 0.000 0.000 0.254 454 N C 0.203 175.680 175.510 -0.054 0.000 1.080 454 N CA 0.486 53.544 53.050 0.014 0.000 0.672 454 N CB -0.866 37.653 38.487 0.054 0.000 1.159 454 N HN 0.444 nan 8.380 nan 0.000 0.587 455 V N 0.476 120.206 119.914 -0.306 0.000 2.469 455 V HA -0.256 3.864 4.120 0.000 0.000 0.251 455 V C 2.479 178.171 176.094 -0.669 0.000 1.064 455 V CA 2.559 64.357 62.300 -0.837 0.000 1.066 455 V CB -0.477 31.024 31.823 -0.536 0.000 0.667 455 V HN 0.652 nan 8.190 nan 0.000 0.461 456 A N -1.133 121.334 122.820 -0.589 0.000 2.084 456 A HA -0.237 4.083 4.320 0.000 0.000 0.221 456 A C 2.033 179.432 177.584 -0.309 0.000 1.161 456 A CA 1.569 53.156 52.037 -0.750 0.000 0.653 456 A CB -0.251 18.548 19.000 -0.336 0.000 0.802 456 A HN 0.585 nan 8.150 nan 0.000 0.457 457 Q N -1.559 118.164 119.800 -0.129 0.000 2.319 457 Q HA 0.144 4.484 4.340 0.000 0.000 0.209 457 Q C -0.501 175.538 176.000 0.064 0.000 0.884 457 Q CA -0.177 55.620 55.803 -0.011 0.000 0.938 457 Q CB -0.048 28.678 28.738 -0.021 0.000 1.098 457 Q HN 0.812 nan 8.270 nan 0.000 0.517 458 Y N 0.602 120.802 120.300 -0.167 0.000 2.810 458 Y HA 0.101 4.651 4.550 0.000 0.000 0.332 458 Y C 1.329 177.092 175.900 -0.228 0.000 1.243 458 Y CA -0.037 57.939 58.100 -0.208 0.000 1.537 458 Y CB 0.547 38.920 38.460 -0.145 0.000 1.265 458 Y HN 0.002 nan 8.280 nan 0.000 0.572 459 G N 1.885 110.550 108.800 -0.226 0.000 3.086 459 G HA2 0.353 4.313 3.960 0.000 0.000 0.282 459 G HA3 0.353 4.313 3.960 0.000 0.000 0.282 459 G C 0.214 174.856 174.900 -0.429 0.000 1.343 459 G CA -0.841 44.088 45.100 -0.285 0.000 0.895 459 G HN 0.605 nan 8.290 nan 0.000 0.557 460 L N -0.172 120.842 121.223 -0.347 0.000 2.083 460 L HA -0.009 4.331 4.340 0.000 0.000 0.209 460 L C 1.157 177.864 176.870 -0.272 0.000 1.083 460 L CA 0.875 55.586 54.840 -0.215 0.000 0.752 460 L CB -0.179 41.879 42.059 -0.003 0.000 0.899 460 L HN 0.440 nan 8.230 nan 0.000 0.433 461 D N 1.094 121.304 120.400 -0.316 0.000 2.434 461 D HA -0.027 4.613 4.640 0.000 0.000 0.252 461 D C -1.588 174.340 176.300 -0.621 0.000 1.185 461 D CA -1.760 51.907 54.000 -0.555 0.000 0.886 461 D CB 1.230 41.882 40.800 -0.247 0.000 1.148 461 D HN -0.003 nan 8.370 nan 0.000 0.483 462 P HA -0.058 nan 4.420 nan 0.000 0.226 462 P C 0.876 177.981 177.300 -0.325 0.000 1.153 462 P CA 0.624 63.440 63.100 -0.474 0.000 0.777 462 P CB 0.080 31.593 31.700 -0.313 0.000 0.794 463 A N -0.553 122.073 122.820 -0.323 0.000 2.121 463 A HA -0.084 4.237 4.320 0.000 0.000 0.218 463 A C 2.293 179.687 177.584 -0.317 0.000 1.154 463 A CA 1.645 53.568 52.037 -0.191 0.000 0.679 463 A CB -1.673 17.236 19.000 -0.152 0.000 0.795 463 A HN 0.145 nan 8.150 nan 0.000 0.458 464 T N -1.208 113.066 114.554 -0.465 0.000 2.985 464 T HA 0.006 4.356 4.350 0.000 0.000 0.266 464 T C 1.969 176.147 174.700 -0.869 0.000 1.076 464 T CA 1.451 63.183 62.100 -0.614 0.000 1.135 464 T CB -0.053 68.553 68.868 -0.437 0.000 0.890 464 T HN 0.594 nan 8.240 nan 0.000 0.480 465 R N -1.499 118.513 120.500 -0.813 0.000 2.276 465 R HA 0.246 4.586 4.340 0.000 0.000 0.195 465 R C -0.338 175.636 176.300 -0.543 0.000 0.908 465 R CA 0.102 55.517 56.100 -1.142 0.000 1.083 465 R CB 0.622 30.079 30.300 -1.404 0.000 1.182 465 R HN 0.291 nan 8.270 nan 0.000 0.608 466 Y N 2.911 123.160 120.300 -0.085 0.000 2.356 466 Y HA 0.354 4.904 4.550 0.000 0.000 0.334 466 Y C -2.128 173.798 175.900 0.044 0.000 0.958 466 Y CA -3.082 55.004 58.100 -0.023 0.000 1.196 466 Y CB 1.207 39.621 38.460 -0.075 0.000 1.137 466 Y HN -0.083 nan 8.280 nan 0.000 0.485 467 P HA -0.013 nan 4.420 nan 0.000 0.271 467 P C -0.564 176.722 177.300 -0.023 0.000 1.216 467 P CA 0.139 63.150 63.100 -0.148 0.000 0.776 467 P CB 0.678 32.186 31.700 -0.321 0.000 0.881 468 N N -1.315 117.376 118.700 -0.015 0.000 2.714 468 N HA -0.198 4.542 4.740 0.000 0.000 0.250 468 N C 0.253 175.765 175.510 0.003 0.000 1.117 468 N CA 0.127 53.173 53.050 -0.007 0.000 0.719 468 N CB -1.496 36.976 38.487 -0.024 0.000 1.081 468 N HN 0.521 nan 8.380 nan 0.000 0.557 469 L N -1.069 120.166 121.223 0.020 0.000 2.483 469 L HA 0.319 4.660 4.340 0.000 0.000 0.276 469 L C 0.378 177.243 176.870 -0.008 0.000 1.213 469 L CA -0.090 54.752 54.840 0.002 0.000 0.843 469 L CB 0.632 42.703 42.059 0.019 0.000 1.107 469 L HN 0.096 nan 8.230 nan 0.000 0.487 470 N N 3.601 122.289 118.700 -0.020 0.000 2.483 470 N HA 0.324 5.065 4.740 0.000 0.000 0.267 470 N C -0.224 175.284 175.510 -0.003 0.000 0.998 470 N CA -0.645 52.400 53.050 -0.008 0.000 0.918 470 N CB 1.314 39.795 38.487 -0.010 0.000 1.215 470 N HN 0.864 nan 8.380 nan 0.000 0.500 471 L N 2.540 123.775 121.223 0.020 0.000 2.611 471 L HA 0.240 4.580 4.340 0.000 0.000 0.229 471 L C 0.755 177.660 176.870 0.058 0.000 1.137 471 L CA 0.159 55.029 54.840 0.049 0.000 0.901 471 L CB 0.050 42.163 42.059 0.090 0.000 1.098 471 L HN 0.436 nan 8.230 nan 0.000 0.456 472 R N -0.467 120.056 120.500 0.039 0.000 2.700 472 R HA 0.328 4.669 4.340 0.000 0.000 0.377 472 R C 1.230 177.544 176.300 0.023 0.000 1.130 472 R CA 0.254 56.375 56.100 0.036 0.000 1.055 472 R CB 0.235 30.555 30.300 0.033 0.000 1.387 472 R HN 0.007 nan 8.270 nan 0.000 0.580 473 A N 0.793 123.622 122.820 0.015 0.000 2.067 473 A HA 0.066 4.386 4.320 0.000 0.000 0.219 473 A C 0.937 178.528 177.584 0.012 0.000 1.158 473 A CA 0.796 52.836 52.037 0.004 0.000 0.661 473 A CB 0.353 19.346 19.000 -0.012 0.000 0.801 473 A HN 0.078 nan 8.150 nan 0.000 0.452 474 V N -0.544 119.385 119.914 0.025 0.000 2.540 474 V HA 0.442 4.562 4.120 0.000 0.000 0.302 474 V C 0.057 176.174 176.094 0.038 0.000 1.035 474 V CA -0.546 61.774 62.300 0.033 0.000 0.873 474 V CB 1.612 33.461 31.823 0.044 0.000 0.992 474 V HN 0.228 nan 8.190 nan 0.000 0.428 475 T N 5.052 119.626 114.554 0.034 0.000 2.934 475 T HA 0.383 4.733 4.350 0.000 0.000 0.283 475 T C -1.722 173.002 174.700 0.041 0.000 1.005 475 T CA -1.720 60.401 62.100 0.035 0.000 1.041 475 T CB 1.874 70.759 68.868 0.029 0.000 1.042 475 T HN 0.462 nan 8.240 nan 0.000 0.505 476 P HA -0.151 nan 4.420 nan 0.000 0.216 476 P C 1.564 178.894 177.300 0.051 0.000 1.154 476 P CA 0.811 63.939 63.100 0.047 0.000 0.865 476 P CB 0.100 31.826 31.700 0.043 0.000 0.789 477 N N 0.061 118.786 118.700 0.042 0.000 2.049 477 N HA -0.237 4.503 4.740 0.000 0.000 0.198 477 N C 1.569 177.102 175.510 0.038 0.000 1.030 477 N CA 1.829 54.902 53.050 0.038 0.000 0.870 477 N CB -0.678 37.826 38.487 0.029 0.000 1.045 477 N HN 0.246 nan 8.380 nan 0.000 0.434 478 Q N -0.663 119.159 119.800 0.036 0.000 2.437 478 Q HA -0.026 4.315 4.340 0.000 0.000 0.210 478 Q C 1.380 177.404 176.000 0.040 0.000 0.972 478 Q CA 1.014 56.838 55.803 0.034 0.000 0.903 478 Q CB 0.224 28.981 28.738 0.031 0.000 0.967 478 Q HN 0.482 nan 8.270 nan 0.000 0.486 479 V N -4.113 115.830 119.914 0.049 0.000 3.276 479 V HA 0.124 4.244 4.120 0.000 0.000 0.319 479 V C 1.367 177.503 176.094 0.071 0.000 1.427 479 V CA -0.133 62.200 62.300 0.054 0.000 1.102 479 V CB 0.217 32.074 31.823 0.055 0.000 1.020 479 V HN 0.092 nan 8.190 nan 0.000 0.456 480 Q N 1.180 121.024 119.800 0.073 0.000 2.152 480 Q HA -0.227 4.114 4.340 0.000 0.000 0.206 480 Q C 1.079 177.128 176.000 0.083 0.000 0.985 480 Q CA 2.384 58.245 55.803 0.097 0.000 0.863 480 Q CB -0.037 28.740 28.738 0.065 0.000 0.904 480 Q HN 0.769 nan 8.270 nan 0.000 0.422 481 D N -0.896 119.528 120.400 0.041 0.000 2.615 481 D HA 0.069 4.710 4.640 0.000 0.000 0.236 481 D C 0.145 176.446 176.300 0.003 0.000 1.233 481 D CA -0.073 53.937 54.000 0.017 0.000 0.829 481 D CB 0.384 41.176 40.800 -0.013 0.000 1.024 481 D HN 0.022 nan 8.370 nan 0.000 0.490 482 L N 0.737 121.974 121.223 0.024 0.000 2.554 482 L HA 0.094 4.435 4.340 0.000 0.000 0.226 482 L C -0.277 176.622 176.870 0.049 0.000 1.137 482 L CA 0.594 55.421 54.840 -0.021 0.000 0.863 482 L CB -0.477 41.572 42.059 -0.016 0.000 0.985 482 L HN 0.221 nan 8.230 nan 0.000 0.451 483 Y N 0.638 120.905 120.300 -0.054 0.000 2.464 483 Y HA 0.380 4.930 4.550 0.000 0.000 0.326 483 Y C 0.011 175.900 175.900 -0.017 0.000 0.969 483 Y CA -2.229 55.856 58.100 -0.025 0.000 1.270 483 Y CB 0.033 38.499 38.460 0.009 0.000 1.103 483 Y HN 0.058 nan 8.280 nan 0.000 0.491 484 D N 0.000 120.469 120.400 0.115 0.000 6.856 484 D HA 0.000 4.640 4.640 0.000 0.000 0.175 484 D CA 0.000 53.978 54.000 -0.037 0.000 0.868 484 D CB 0.000 40.820 40.800 0.033 0.000 0.688 484 D HN 0.000 nan 8.370 nan 0.000 0.683