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 2vgz_1_A DATA FIRST_RESID -3 DATA SEQUENCE MLEXXNYARF ITAASAARNP SPXXXXXXXX XXXXXSMISL AGGLPNPNMF DATA SEQUENCE PFKTAVITVE NGKTIQFGEE MMKRALQYSP SAGIPELLSW LKQLQIKLHN DATA SEQUENCE PPTIHYPPSQ GQMDLCVTSG SQQGLCKVFE MIINPGDNVL LDEPAYSGTL DATA SEQUENCE QSLHPLGCNI INVASDESGI VPDSLRDILS RWKPEDAKNP QKNTPKFLYT DATA SEQUENCE VPNGNNPTGN SLTSERKKEI YELARKYDFL IIEDDPYYFL QFNKFRVPTF DATA SEQUENCE LSMDVDGRVI RADSFSXIIS SGLRIGFLTG PKPLIERVIL HIQVSTLHPS DATA SEQUENCE TFNQLMISQL LHEWGEEGFM AHVDRVIDFY SNQKDAILAA ADKWLTGLAE DATA SEQUENCE WHVPAAGMFL WIKVKGINDV KELIEEKAVK MGVLMLPGNA FYVDSSAPSP DATA SEQUENCE YLRASFSSAS PEQMDVAFQV LAQLIKESL VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f -3 M HA 0.000 nan 4.480 nan 0.000 0.227 -3 M C 0.000 176.367 176.300 0.112 0.000 1.140 -3 M CA 0.000 55.343 55.300 0.071 0.000 0.988 -3 M CB 0.000 32.629 32.600 0.047 0.000 1.302 -2 L N 0.669 121.956 121.223 0.107 0.000 2.127 -2 L HA 0.150 4.489 4.340 -0.000 0.000 0.203 -2 L C 0.861 177.836 176.870 0.174 0.000 1.080 -2 L CA 0.547 55.478 54.840 0.151 0.000 0.768 -2 L CB -0.379 41.747 42.059 0.111 0.000 0.924 -2 L HN 0.383 nan 8.230 nan 0.000 0.444 3 Y N 0.537 120.938 120.300 0.168 0.000 2.481 3 Y HA 0.532 5.082 4.550 -0.001 0.000 0.247 3 Y C 2.218 178.256 175.900 0.231 0.000 1.151 3 Y CA 0.289 58.571 58.100 0.303 0.000 1.238 3 Y CB 0.682 39.273 38.460 0.217 0.000 1.179 3 Y HN 0.343 nan 8.280 nan 0.000 0.524 4 A N 1.367 124.306 122.820 0.199 0.000 1.940 4 A HA -0.260 4.060 4.320 -0.000 0.000 0.219 4 A C 2.342 179.942 177.584 0.027 0.000 1.176 4 A CA 2.065 54.164 52.037 0.105 0.000 0.631 4 A CB -0.590 18.441 19.000 0.051 0.000 0.814 4 A HN 0.572 nan 8.150 nan 0.000 0.446 5 R N -1.573 118.865 120.500 -0.103 0.000 2.200 5 R HA -0.089 4.251 4.340 -0.000 0.000 0.234 5 R C 1.346 177.438 176.300 -0.345 0.000 1.127 5 R CA 1.906 57.831 56.100 -0.291 0.000 0.989 5 R CB -0.590 29.418 30.300 -0.488 0.000 0.869 5 R HN 0.465 nan 8.270 nan 0.000 0.459 6 F N 1.134 121.131 119.950 0.079 0.000 2.619 6 F HA 0.289 4.816 4.527 -0.001 0.000 0.293 6 F C 0.936 176.802 175.800 0.111 0.000 1.119 6 F CA -0.363 57.705 58.000 0.112 0.000 1.445 6 F CB 0.284 39.388 39.000 0.173 0.000 1.119 6 F HN -0.124 nan 8.300 nan 0.000 0.573 7 I N 0.598 121.309 120.570 0.235 0.000 2.395 7 I HA 0.081 4.251 4.170 -0.000 0.000 0.289 7 I C 0.901 177.077 176.117 0.099 0.000 1.023 7 I CA -0.035 61.365 61.300 0.166 0.000 1.350 7 I CB 0.661 38.746 38.000 0.142 0.000 1.409 7 I HN -0.117 nan 8.210 nan 0.000 0.507 8 T N 4.415 119.022 114.554 0.087 0.000 2.734 8 T HA 0.183 4.532 4.350 -0.000 0.000 0.314 8 T C 1.311 176.030 174.700 0.031 0.000 1.057 8 T CA 0.431 62.562 62.100 0.053 0.000 1.047 8 T CB 1.059 69.958 68.868 0.052 0.000 0.991 8 T HN 0.782 nan 8.240 nan 0.000 0.540 9 A N 1.309 124.138 122.820 0.016 0.000 1.897 9 A HA 0.196 4.515 4.320 -0.000 0.000 0.215 9 A C 2.537 180.120 177.584 -0.001 0.000 1.181 9 A CA 1.605 53.646 52.037 0.007 0.000 0.620 9 A CB -1.168 17.833 19.000 0.001 0.000 0.821 9 A HN 0.896 nan 8.150 nan 0.000 0.443 10 A N -0.709 122.105 122.820 -0.010 0.000 1.902 10 A HA -0.132 4.188 4.320 -0.000 0.000 0.217 10 A C 2.489 180.049 177.584 -0.040 0.000 1.181 10 A CA 2.232 54.251 52.037 -0.030 0.000 0.623 10 A CB -0.978 17.997 19.000 -0.042 0.000 0.818 10 A HN 0.528 nan 8.150 nan 0.000 0.443 11 S N -0.558 115.128 115.700 -0.024 0.000 2.368 11 S HA -0.018 4.451 4.470 -0.000 0.000 0.225 11 S C 2.125 176.725 174.600 -0.001 0.000 1.030 11 S CA 1.476 59.664 58.200 -0.021 0.000 0.999 11 S CB -0.434 62.778 63.200 0.020 0.000 0.844 11 S HN 0.817 nan 8.310 nan 0.000 0.459 12 A N 0.696 123.526 122.820 0.015 0.000 2.067 12 A HA 0.348 4.667 4.320 -0.000 0.000 0.219 12 A C 2.227 179.817 177.584 0.010 0.000 1.158 12 A CA 1.437 53.487 52.037 0.022 0.000 0.661 12 A CB -0.870 18.149 19.000 0.032 0.000 0.801 12 A HN 0.679 nan 8.150 nan 0.000 0.452 13 A N -0.205 122.614 122.820 -0.002 0.000 2.119 13 A HA 0.058 4.378 4.320 -0.000 0.000 0.217 13 A C 1.328 178.906 177.584 -0.009 0.000 1.153 13 A CA -0.046 51.988 52.037 -0.006 0.000 0.692 13 A CB -0.203 18.791 19.000 -0.011 0.000 0.799 13 A HN 0.525 nan 8.150 nan 0.000 0.458 14 R N 1.358 121.849 120.500 -0.015 0.000 2.570 14 R HA 0.168 4.507 4.340 -0.000 0.000 0.277 14 R C -0.795 175.505 176.300 -0.001 0.000 1.039 14 R CA 0.023 56.114 56.100 -0.016 0.000 1.065 14 R CB 0.188 30.474 30.300 -0.023 0.000 0.964 14 R HN 0.413 nan 8.270 nan 0.000 0.428 15 N N 2.699 121.399 118.700 0.000 0.000 2.404 15 N HA 0.344 5.084 4.740 -0.000 0.000 0.297 15 N C -2.555 172.959 175.510 0.007 0.000 1.163 15 N CA -1.890 51.163 53.050 0.005 0.000 0.864 15 N CB 1.091 39.580 38.487 0.003 0.000 1.247 15 N HN 0.244 nan 8.380 nan 0.000 0.510 16 P HA 0.018 nan 4.420 nan 0.000 0.262 16 P C -0.359 176.944 177.300 0.005 0.000 1.182 16 P CA 0.423 63.528 63.100 0.009 0.000 0.761 16 P CB 0.453 32.158 31.700 0.007 0.000 0.795 17 S N 3.054 118.758 115.700 0.006 0.000 2.407 17 S HA 0.313 4.783 4.470 -0.000 0.000 0.166 17 S C -2.222 172.373 174.600 -0.008 0.000 1.445 17 S CA -1.191 57.008 58.200 -0.001 0.000 1.260 17 S CB -0.238 62.964 63.200 0.004 0.000 1.401 17 S HN 0.249 nan 8.310 nan 0.000 0.379 33 M N 1.094 120.692 119.600 -0.004 0.000 2.213 33 M HA 0.195 4.675 4.480 -0.000 0.000 0.263 33 M C 0.482 176.779 176.300 -0.005 0.000 1.062 33 M CA 1.357 56.654 55.300 -0.005 0.000 1.105 33 M CB -0.748 31.849 32.600 -0.005 0.000 1.385 33 M HN 0.578 nan 8.290 nan 0.000 0.417 34 I N -0.179 120.388 120.570 -0.005 0.000 2.362 34 I HA 0.145 4.315 4.170 -0.000 0.000 0.289 34 I C 0.088 176.203 176.117 -0.004 0.000 0.994 34 I CA -0.412 60.885 61.300 -0.005 0.000 1.158 34 I CB 1.657 39.654 38.000 -0.005 0.000 1.315 34 I HN -0.121 nan 8.210 nan 0.000 0.451 35 S N 6.706 122.404 115.700 -0.003 0.000 2.498 35 S HA 0.569 5.039 4.470 -0.000 0.000 0.317 35 S C 0.207 174.806 174.600 -0.001 0.000 1.090 35 S CA -0.591 57.608 58.200 -0.002 0.000 1.089 35 S CB 0.830 64.030 63.200 -0.001 0.000 0.997 35 S HN 0.611 nan 8.310 nan 0.000 0.470 36 L N 3.969 125.192 121.223 -0.001 0.000 2.910 36 L HA 0.381 4.721 4.340 -0.000 0.000 0.252 36 L C 1.660 178.531 176.870 0.002 0.000 1.195 36 L CA -0.061 54.779 54.840 0.001 0.000 1.003 36 L CB 0.026 42.085 42.059 -0.000 0.000 1.328 36 L HN 0.749 nan 8.230 nan 0.000 0.540 37 A N -0.005 122.816 122.820 0.001 0.000 2.267 37 A HA 0.387 4.707 4.320 -0.000 0.000 0.213 37 A C 1.221 178.805 177.584 0.001 0.000 1.192 37 A CA 0.317 52.354 52.037 0.000 0.000 0.851 37 A CB -0.092 18.907 19.000 -0.001 0.000 0.881 37 A HN 0.311 nan 8.150 nan 0.000 0.494 38 G N -1.469 107.333 108.800 0.004 0.000 2.448 38 G HA2 0.433 4.393 3.960 -0.000 0.000 0.285 38 G HA3 0.433 4.393 3.960 -0.000 0.000 0.285 38 G C 0.581 175.489 174.900 0.013 0.000 1.176 38 G CA 0.115 45.219 45.100 0.007 0.000 0.852 38 G HN 0.503 nan 8.290 nan 0.000 0.530 39 G N 0.246 109.053 108.800 0.012 0.000 3.805 39 G HA2 0.376 4.335 3.960 -0.000 0.000 0.290 39 G HA3 0.376 4.335 3.960 -0.000 0.000 0.290 39 G C 0.353 175.296 174.900 0.071 0.000 1.077 39 G CA -0.413 44.700 45.100 0.021 0.000 0.852 39 G HN 0.437 nan 8.290 nan 0.000 0.531 40 L N 2.158 123.441 121.223 0.099 0.000 2.326 40 L HA 0.366 4.706 4.340 -0.000 0.000 0.278 40 L C -1.447 175.515 176.870 0.153 0.000 1.092 40 L CA -1.755 53.200 54.840 0.192 0.000 0.810 40 L CB 0.981 43.142 42.059 0.171 0.000 1.153 40 L HN 0.047 nan 8.230 nan 0.000 0.439 41 P HA 0.047 nan 4.420 nan 0.000 0.274 41 P C -0.819 176.465 177.300 -0.026 0.000 1.246 41 P CA -0.600 62.561 63.100 0.102 0.000 0.795 41 P CB 0.576 32.396 31.700 0.199 0.000 1.006 42 N N 2.191 120.808 118.700 -0.138 0.000 2.431 42 N HA 0.025 4.765 4.740 -0.000 0.000 0.265 42 N C -1.347 173.827 175.510 -0.560 0.000 1.184 42 N CA -1.225 51.684 53.050 -0.236 0.000 0.943 42 N CB 0.620 38.995 38.487 -0.188 0.000 1.080 42 N HN 0.240 nan 8.380 nan 0.000 0.477 43 P HA -0.031 nan 4.420 nan 0.000 0.233 43 P C 0.532 177.562 177.300 -0.451 0.000 1.167 43 P CA 0.621 63.364 63.100 -0.595 0.000 0.770 43 P CB 0.475 32.134 31.700 -0.068 0.000 0.837 44 N N -0.400 118.115 118.700 -0.309 0.000 2.453 44 N HA -0.028 4.711 4.740 -0.000 0.000 0.183 44 N C 1.452 176.843 175.510 -0.199 0.000 1.041 44 N CA 0.963 53.902 53.050 -0.184 0.000 0.900 44 N CB -0.169 38.241 38.487 -0.128 0.000 0.961 44 N HN 0.170 nan 8.380 nan 0.000 0.443 45 M N -0.130 119.260 119.600 -0.350 0.000 2.514 45 M HA 0.104 4.584 4.480 -0.000 0.000 0.258 45 M C -0.243 175.995 176.300 -0.103 0.000 1.119 45 M CA 0.169 55.329 55.300 -0.234 0.000 1.111 45 M CB -0.502 31.946 32.600 -0.252 0.000 1.390 45 M HN -0.168 nan 8.290 nan 0.000 0.475 46 F N 2.093 122.023 119.950 -0.033 0.000 2.443 46 F HA 0.228 4.755 4.527 -0.000 0.000 0.353 46 F C -1.064 174.668 175.800 -0.114 0.000 1.101 46 F CA -2.481 55.487 58.000 -0.053 0.000 1.226 46 F CB -0.535 38.482 39.000 0.028 0.000 1.140 46 F HN 0.023 nan 8.300 nan 0.000 0.557 47 P HA -0.054 nan 4.420 nan 0.000 0.231 47 P C -0.226 176.892 177.300 -0.305 0.000 1.168 47 P CA 0.756 63.686 63.100 -0.283 0.000 0.779 47 P CB 0.072 31.494 31.700 -0.464 0.000 0.844 48 F N 0.673 120.677 119.950 0.091 0.000 2.420 48 F HA 0.286 4.813 4.527 -0.000 0.000 0.352 48 F C 1.736 177.605 175.800 0.114 0.000 1.108 48 F CA -0.269 57.782 58.000 0.084 0.000 1.162 48 F CB 0.687 39.731 39.000 0.074 0.000 1.118 48 F HN -0.342 nan 8.300 nan 0.000 0.510 49 K N 0.563 121.116 120.400 0.255 0.000 2.329 49 K HA 0.167 4.487 4.320 -0.000 0.000 0.198 49 K C 0.464 177.170 176.600 0.176 0.000 1.085 49 K CA 0.695 57.087 56.287 0.175 0.000 0.961 49 K CB 0.458 33.018 32.500 0.101 0.000 0.971 49 K HN 0.768 nan 8.250 nan 0.000 0.502 50 T N -1.913 112.754 114.554 0.188 0.000 2.853 50 T HA 0.785 5.134 4.350 -0.000 0.000 0.311 50 T C -1.532 173.268 174.700 0.167 0.000 1.307 50 T CA -0.897 61.304 62.100 0.167 0.000 1.019 50 T CB 2.328 71.257 68.868 0.101 0.000 1.264 50 T HN 0.063 nan 8.240 nan 0.000 0.497 51 A N 1.084 123.980 122.820 0.126 0.000 2.520 51 A HA 0.786 5.106 4.320 -0.000 0.000 0.298 51 A C -1.322 176.181 177.584 -0.135 0.000 1.051 51 A CA -0.788 51.258 52.037 0.015 0.000 0.690 51 A CB 1.995 21.018 19.000 0.038 0.000 1.281 51 A HN 1.127 nan 8.150 nan 0.000 0.402 52 V N 2.626 122.460 119.914 -0.134 0.000 2.483 52 V HA 0.538 4.658 4.120 -0.000 0.000 0.297 52 V C -0.928 175.059 176.094 -0.179 0.000 1.027 52 V CA -0.150 62.055 62.300 -0.158 0.000 0.855 52 V CB 1.404 33.177 31.823 -0.083 0.000 0.995 52 V HN 0.719 nan 8.190 nan 0.000 0.424 53 I N 4.028 124.456 120.570 -0.238 0.000 2.447 53 I HA 0.452 4.622 4.170 -0.000 0.000 0.287 53 I C 0.454 176.466 176.117 -0.174 0.000 1.023 53 I CA -0.243 60.934 61.300 -0.205 0.000 1.083 53 I CB 2.512 40.352 38.000 -0.268 0.000 1.245 53 I HN 0.727 nan 8.210 nan 0.000 0.434 54 T N 3.307 117.787 114.554 -0.124 0.000 2.909 54 T HA 0.690 5.040 4.350 -0.000 0.000 0.289 54 T C -0.269 174.366 174.700 -0.108 0.000 1.005 54 T CA -0.656 61.383 62.100 -0.102 0.000 1.084 54 T CB 1.459 70.288 68.868 -0.066 0.000 0.975 54 T HN 0.210 nan 8.240 nan 0.000 0.509 55 V N 2.470 122.324 119.914 -0.100 0.000 2.495 55 V HA 0.357 4.477 4.120 -0.000 0.000 0.298 55 V C 0.415 176.498 176.094 -0.018 0.000 1.031 55 V CA -1.014 61.230 62.300 -0.094 0.000 0.871 55 V CB 1.488 33.215 31.823 -0.160 0.000 0.988 55 V HN 1.050 nan 8.190 nan 0.000 0.432 56 E N 3.739 123.950 120.200 0.018 0.000 2.406 56 E HA 0.018 4.368 4.350 -0.000 0.000 0.258 56 E C 0.525 177.175 176.600 0.083 0.000 1.043 56 E CA 0.422 56.850 56.400 0.046 0.000 0.929 56 E CB -0.202 29.531 29.700 0.055 0.000 0.969 56 E HN 0.778 nan 8.360 nan 0.000 0.462 57 N N 1.966 120.701 118.700 0.058 0.000 2.681 57 N HA -0.242 4.498 4.740 -0.000 0.000 0.250 57 N C -0.220 175.349 175.510 0.097 0.000 1.133 57 N CA 0.643 53.734 53.050 0.067 0.000 0.732 57 N CB -0.592 37.935 38.487 0.067 0.000 1.107 57 N HN 0.537 nan 8.380 nan 0.000 0.559 58 G N -0.528 108.324 108.800 0.087 0.000 3.013 58 G HA2 0.569 4.528 3.960 -0.000 0.000 0.278 58 G HA3 0.569 4.528 3.960 -0.000 0.000 0.278 58 G C -0.769 174.140 174.900 0.016 0.000 1.353 58 G CA -0.808 44.347 45.100 0.093 0.000 1.043 58 G HN 0.017 nan 8.290 nan 0.000 0.523 59 K N 0.679 121.072 120.400 -0.011 0.000 2.298 59 K HA 0.270 4.590 4.320 -0.000 0.000 0.280 59 K C -0.025 176.522 176.600 -0.089 0.000 1.032 59 K CA -0.032 56.230 56.287 -0.041 0.000 0.958 59 K CB 0.857 33.337 32.500 -0.035 0.000 0.978 59 K HN 0.355 nan 8.250 nan 0.000 0.472 60 T N 3.234 117.740 114.554 -0.080 0.000 2.902 60 T HA 0.080 4.430 4.350 -0.000 0.000 0.301 60 T C 0.689 175.307 174.700 -0.138 0.000 1.012 60 T CA -0.029 62.007 62.100 -0.107 0.000 1.151 60 T CB 0.138 68.956 68.868 -0.082 0.000 0.946 60 T HN 0.317 nan 8.240 nan 0.000 0.542 61 I N 3.830 124.282 120.570 -0.197 0.000 2.352 61 I HA 0.158 4.328 4.170 -0.000 0.000 0.290 61 I C 0.611 176.564 176.117 -0.274 0.000 1.036 61 I CA -0.061 61.093 61.300 -0.244 0.000 1.336 61 I CB 0.514 38.311 38.000 -0.339 0.000 1.407 61 I HN 0.478 nan 8.210 nan 0.000 0.497 62 Q N 6.407 126.113 119.800 -0.156 0.000 2.331 62 Q HA 0.455 4.794 4.340 -0.000 0.000 0.267 62 Q C -1.403 174.676 176.000 0.132 0.000 1.006 62 Q CA -0.701 55.052 55.803 -0.083 0.000 0.818 62 Q CB 2.350 31.068 28.738 -0.033 0.000 1.276 62 Q HN 0.399 nan 8.270 nan 0.000 0.450 63 F N 1.630 121.509 119.950 -0.117 0.000 2.293 63 F HA 0.364 4.891 4.527 -0.001 0.000 0.370 63 F C 0.989 176.758 175.800 -0.051 0.000 1.090 63 F CA -1.181 56.751 58.000 -0.113 0.000 1.133 63 F CB 0.506 39.413 39.000 -0.155 0.000 1.360 63 F HN 0.592 nan 8.300 nan 0.000 0.489 64 G N 1.691 110.565 108.800 0.124 0.000 2.631 64 G HA2 -0.005 3.955 3.960 -0.000 0.000 0.271 64 G HA3 -0.005 3.955 3.960 -0.000 0.000 0.271 64 G C 1.067 176.006 174.900 0.065 0.000 1.302 64 G CA -0.161 44.981 45.100 0.069 0.000 1.002 64 G HN 0.666 nan 8.290 nan 0.000 0.519 65 E N -0.672 119.556 120.200 0.045 0.000 2.070 65 E HA -0.196 4.154 4.350 -0.000 0.000 0.197 65 E C 1.957 178.571 176.600 0.024 0.000 1.004 65 E CA 1.724 58.149 56.400 0.043 0.000 0.805 65 E CB -0.004 29.712 29.700 0.028 0.000 0.744 65 E HN 0.477 nan 8.360 nan 0.000 0.451 66 E N 0.039 120.237 120.200 -0.003 0.000 2.158 66 E HA -0.127 4.223 4.350 -0.000 0.000 0.191 66 E C 1.924 178.485 176.600 -0.066 0.000 0.982 66 E CA 0.843 57.227 56.400 -0.027 0.000 0.823 66 E CB -0.232 29.447 29.700 -0.034 0.000 0.766 66 E HN 0.354 nan 8.360 nan 0.000 0.468 67 M N 0.079 119.622 119.600 -0.096 0.000 2.319 67 M HA -0.035 4.445 4.480 -0.000 0.000 0.265 67 M C 2.024 178.145 176.300 -0.299 0.000 1.068 67 M CA 0.906 56.069 55.300 -0.228 0.000 1.118 67 M CB -0.018 32.426 32.600 -0.260 0.000 1.395 67 M HN 0.003 nan 8.290 nan 0.000 0.435 68 M N 0.379 119.922 119.600 -0.095 0.000 2.132 68 M HA -0.128 4.351 4.480 -0.000 0.000 0.263 68 M C 1.758 178.096 176.300 0.063 0.000 1.065 68 M CA 1.906 57.229 55.300 0.039 0.000 1.122 68 M CB -0.478 32.234 32.600 0.187 0.000 1.365 68 M HN 0.210 nan 8.290 nan 0.000 0.411 69 K N -0.862 119.569 120.400 0.051 0.000 2.063 69 K HA -0.231 4.089 4.320 -0.000 0.000 0.208 69 K C 2.265 178.891 176.600 0.044 0.000 1.048 69 K CA 1.757 58.090 56.287 0.075 0.000 0.928 69 K CB -0.405 32.115 32.500 0.032 0.000 0.713 69 K HN 0.391 nan 8.250 nan 0.000 0.442 70 R N 0.890 121.360 120.500 -0.050 0.000 2.073 70 R HA -0.118 4.221 4.340 -0.000 0.000 0.234 70 R C 2.239 178.474 176.300 -0.108 0.000 1.134 70 R CA 1.426 57.471 56.100 -0.092 0.000 0.952 70 R CB -0.266 29.936 30.300 -0.162 0.000 0.850 70 R HN 0.191 nan 8.270 nan 0.000 0.433 71 A N 0.765 123.471 122.820 -0.191 0.000 2.024 71 A HA -0.093 4.226 4.320 -0.000 0.000 0.220 71 A C 1.954 179.595 177.584 0.095 0.000 1.164 71 A CA 1.126 53.081 52.037 -0.138 0.000 0.643 71 A CB -0.288 18.517 19.000 -0.324 0.000 0.806 71 A HN 0.383 nan 8.150 nan 0.000 0.451 72 L N -1.357 119.938 121.223 0.119 0.000 2.607 72 L HA 0.142 4.482 4.340 -0.000 0.000 0.228 72 L C 0.867 177.746 176.870 0.015 0.000 1.123 72 L CA -0.148 54.740 54.840 0.081 0.000 0.890 72 L CB -0.007 42.179 42.059 0.211 0.000 1.103 72 L HN 0.390 nan 8.230 nan 0.000 0.468 73 Q N -0.353 119.490 119.800 0.072 0.000 2.257 73 Q HA 0.273 4.613 4.340 -0.000 0.000 0.262 73 Q C -0.841 175.159 176.000 0.000 0.000 0.997 73 Q CA -0.636 55.211 55.803 0.073 0.000 0.873 73 Q CB 0.890 29.704 28.738 0.127 0.000 1.312 73 Q HN 0.006 nan 8.270 nan 0.000 0.450 74 Y N 0.819 121.176 120.300 0.094 0.000 2.960 74 Y HA 0.131 4.681 4.550 -0.001 0.000 0.345 74 Y C 0.811 176.563 175.900 -0.247 0.000 1.277 74 Y CA 1.223 59.325 58.100 0.004 0.000 1.508 74 Y CB 0.304 38.819 38.460 0.091 0.000 1.317 74 Y HN 0.691 nan 8.280 nan 0.000 0.639 75 S N 0.881 116.306 115.700 -0.459 0.000 2.720 75 S HA 0.717 5.187 4.470 -0.000 0.000 0.287 75 S C -3.139 171.309 174.600 -0.252 0.000 1.168 75 S CA -1.960 56.036 58.200 -0.340 0.000 0.832 75 S CB 1.757 64.751 63.200 -0.343 0.000 1.166 75 S HN 0.239 nan 8.310 nan 0.000 0.493 76 P HA 0.334 nan 4.420 nan 0.000 0.268 76 P C 0.474 177.789 177.300 0.025 0.000 1.205 76 P CA -0.110 62.971 63.100 -0.032 0.000 0.771 76 P CB 0.470 32.156 31.700 -0.022 0.000 0.858 77 S N 2.328 118.066 115.700 0.063 0.000 2.387 77 S HA -0.213 4.257 4.470 -0.000 0.000 0.230 77 S C 1.785 176.438 174.600 0.088 0.000 1.035 77 S CA 1.757 60.020 58.200 0.104 0.000 1.014 77 S CB -0.670 62.572 63.200 0.070 0.000 0.836 77 S HN 0.636 nan 8.310 nan 0.000 0.466 78 A N 0.277 123.130 122.820 0.055 0.000 2.208 78 A HA 0.518 4.838 4.320 -0.000 0.000 0.209 78 A C 1.037 178.654 177.584 0.055 0.000 1.161 78 A CA 0.815 52.882 52.037 0.049 0.000 0.782 78 A CB -0.539 18.479 19.000 0.031 0.000 0.816 78 A HN 0.838 nan 8.150 nan 0.000 0.477 79 G N -0.796 108.037 108.800 0.054 0.000 2.392 79 G HA2 0.159 4.119 3.960 -0.000 0.000 0.677 79 G HA3 0.159 4.119 3.960 -0.000 0.000 0.677 79 G C -0.235 174.669 174.900 0.006 0.000 1.334 79 G CA -0.554 44.572 45.100 0.045 0.000 0.961 79 G HN 1.162 nan 8.290 nan 0.000 0.616 80 I N -0.770 119.794 120.570 -0.011 0.000 2.692 80 I HA 0.420 4.589 4.170 -0.000 0.000 0.284 80 I C -1.139 174.968 176.117 -0.017 0.000 1.159 80 I CA -1.654 59.624 61.300 -0.037 0.000 1.423 80 I CB 1.030 38.990 38.000 -0.067 0.000 1.380 80 I HN 0.253 nan 8.210 nan 0.000 0.580 81 P HA -0.137 nan 4.420 nan 0.000 0.218 81 P C 0.972 178.286 177.300 0.023 0.000 1.148 81 P CA 1.487 64.586 63.100 -0.003 0.000 0.822 81 P CB 0.159 31.851 31.700 -0.013 0.000 0.784 82 E N -0.952 119.255 120.200 0.011 0.000 2.152 82 E HA -0.095 4.255 4.350 -0.000 0.000 0.192 82 E C 1.837 178.557 176.600 0.200 0.000 0.983 82 E CA 0.460 56.904 56.400 0.072 0.000 0.818 82 E CB -1.035 28.611 29.700 -0.090 0.000 0.758 82 E HN 0.091 nan 8.360 nan 0.000 0.467 83 L N 0.564 121.842 121.223 0.091 0.000 2.027 83 L HA -0.076 4.263 4.340 -0.000 0.000 0.206 83 L C 1.886 178.807 176.870 0.085 0.000 1.074 83 L CA 1.544 56.434 54.840 0.084 0.000 0.745 83 L CB -0.544 41.520 42.059 0.008 0.000 0.898 83 L HN 0.167 nan 8.230 nan 0.000 0.433 84 L N -0.773 120.476 121.223 0.044 0.000 1.989 84 L HA -0.270 4.070 4.340 -0.000 0.000 0.211 84 L C 2.657 179.540 176.870 0.021 0.000 1.071 84 L CA 1.811 56.659 54.840 0.012 0.000 0.749 84 L CB -0.835 41.229 42.059 0.009 0.000 0.890 84 L HN 0.481 nan 8.230 nan 0.000 0.431 85 S N -1.517 114.218 115.700 0.058 0.000 2.382 85 S HA -0.264 4.206 4.470 -0.000 0.000 0.228 85 S C 1.661 176.282 174.600 0.035 0.000 1.027 85 S CA 0.946 59.171 58.200 0.041 0.000 0.991 85 S CB -0.965 62.272 63.200 0.061 0.000 0.823 85 S HN 0.573 nan 8.310 nan 0.000 0.469 86 W N 2.003 123.245 121.300 -0.096 0.000 2.388 86 W HA 0.183 4.842 4.660 -0.001 0.000 0.294 86 W C 1.824 178.212 176.519 -0.219 0.000 1.212 86 W CA 0.798 58.018 57.345 -0.209 0.000 1.271 86 W CB -0.159 29.081 29.460 -0.366 0.000 1.126 86 W HN 0.222 nan 8.180 nan 0.000 0.535 87 L N 0.433 121.721 121.223 0.108 0.000 2.156 87 L HA -0.158 4.182 4.340 -0.000 0.000 0.208 87 L C 2.429 179.185 176.870 -0.190 0.000 1.095 87 L CA 1.197 55.962 54.840 -0.124 0.000 0.770 87 L CB -0.725 41.080 42.059 -0.424 0.000 0.914 87 L HN -0.108 nan 8.230 nan 0.000 0.439 88 K N -0.393 119.925 120.400 -0.137 0.000 2.057 88 K HA -0.158 4.161 4.320 -0.000 0.000 0.206 88 K C 2.177 178.682 176.600 -0.159 0.000 1.050 88 K CA 0.945 57.164 56.287 -0.113 0.000 0.935 88 K CB -0.091 32.361 32.500 -0.079 0.000 0.715 88 K HN 0.252 nan 8.250 nan 0.000 0.439 89 Q N 0.888 120.547 119.800 -0.235 0.000 2.119 89 Q HA -0.122 4.217 4.340 -0.000 0.000 0.201 89 Q C 2.229 178.014 176.000 -0.359 0.000 0.972 89 Q CA 0.912 56.538 55.803 -0.295 0.000 0.847 89 Q CB -0.430 28.094 28.738 -0.357 0.000 0.903 89 Q HN 0.223 nan 8.270 nan 0.000 0.433 90 L N 1.315 122.242 121.223 -0.492 0.000 1.989 90 L HA -0.222 4.118 4.340 -0.000 0.000 0.211 90 L C 2.202 178.969 176.870 -0.172 0.000 1.071 90 L CA 1.812 56.410 54.840 -0.402 0.000 0.749 90 L CB -0.542 41.251 42.059 -0.444 0.000 0.890 90 L HN 0.112 nan 8.230 nan 0.000 0.431 91 Q N -0.251 119.504 119.800 -0.075 0.000 2.135 91 Q HA -0.203 4.137 4.340 -0.000 0.000 0.204 91 Q C 2.387 178.367 176.000 -0.034 0.000 0.981 91 Q CA 2.203 58.033 55.803 0.045 0.000 0.856 91 Q CB -0.471 28.344 28.738 0.128 0.000 0.902 91 Q HN 0.629 nan 8.270 nan 0.000 0.425 92 I N 0.891 121.409 120.570 -0.086 0.000 2.142 92 I HA -0.289 3.880 4.170 -0.000 0.000 0.240 92 I C 2.655 178.711 176.117 -0.101 0.000 1.078 92 I CA 1.218 62.463 61.300 -0.092 0.000 1.343 92 I CB -0.373 37.562 38.000 -0.109 0.000 1.046 92 I HN 0.209 nan 8.210 nan 0.000 0.405 93 K N 1.420 121.740 120.400 -0.134 0.000 2.034 93 K HA -0.225 4.095 4.320 -0.000 0.000 0.214 93 K C 2.100 178.617 176.600 -0.139 0.000 1.051 93 K CA 1.849 58.061 56.287 -0.126 0.000 0.931 93 K CB -0.223 32.193 32.500 -0.141 0.000 0.715 93 K HN 0.300 nan 8.250 nan 0.000 0.446 94 L N -0.803 120.283 121.223 -0.227 0.000 2.179 94 L HA -0.093 4.247 4.340 -0.000 0.000 0.208 94 L C 2.062 178.683 176.870 -0.416 0.000 1.096 94 L CA 0.748 55.368 54.840 -0.368 0.000 0.779 94 L CB -0.265 41.429 42.059 -0.609 0.000 0.922 94 L HN 0.293 nan 8.230 nan 0.000 0.443 95 H N -2.315 116.721 119.070 -0.056 0.000 3.205 95 H HA 0.127 4.682 4.556 -0.000 0.000 0.252 95 H C 0.307 175.588 175.328 -0.078 0.000 1.015 95 H CA -0.216 55.782 56.048 -0.084 0.000 1.192 95 H CB 0.106 29.795 29.762 -0.123 0.000 1.474 95 H HN 0.116 nan 8.280 nan 0.000 0.484 96 N N 2.118 120.830 118.700 0.020 0.000 2.678 96 N HA -0.119 4.621 4.740 -0.000 0.000 0.268 96 N C -2.784 172.707 175.510 -0.032 0.000 1.010 96 N CA -0.092 52.948 53.050 -0.016 0.000 0.784 96 N CB -0.594 37.887 38.487 -0.011 0.000 0.905 96 N HN 0.195 nan 8.380 nan 0.000 0.552 97 P HA 0.147 nan 4.420 nan 0.000 0.271 97 P C -1.820 175.382 177.300 -0.162 0.000 1.216 97 P CA -1.268 61.770 63.100 -0.103 0.000 0.771 97 P CB 0.625 32.255 31.700 -0.117 0.000 0.864 98 P HA -0.136 nan 4.420 nan 0.000 0.221 98 P C 1.281 178.277 177.300 -0.506 0.000 1.145 98 P CA 1.543 64.543 63.100 -0.167 0.000 0.795 98 P CB -0.132 31.522 31.700 -0.077 0.000 0.775 99 T N -0.688 113.500 114.554 -0.610 0.000 3.088 99 T HA 0.025 4.375 4.350 -0.000 0.000 0.259 99 T C 1.459 175.798 174.700 -0.602 0.000 1.122 99 T CA 0.123 61.654 62.100 -0.947 0.000 1.095 99 T CB -0.769 67.837 68.868 -0.436 0.000 0.930 99 T HN 0.186 nan 8.240 nan 0.000 0.508 100 I N -1.386 118.898 120.570 -0.476 0.000 2.567 100 I HA -0.089 4.081 4.170 -0.000 0.000 0.257 100 I C 1.649 177.530 176.117 -0.394 0.000 1.184 100 I CA 1.507 62.552 61.300 -0.424 0.000 1.451 100 I CB -0.468 37.244 38.000 -0.481 0.000 1.089 100 I HN 0.232 nan 8.210 nan 0.000 0.441 101 H N -0.265 118.751 119.070 -0.090 0.000 2.551 101 H HA 0.221 4.776 4.556 -0.000 0.000 0.271 101 H C -0.147 175.319 175.328 0.229 0.000 0.984 101 H CA -0.128 55.957 56.048 0.061 0.000 1.164 101 H CB -0.093 29.722 29.762 0.089 0.000 1.437 101 H HN 0.263 nan 8.280 nan 0.000 0.550 102 Y N 2.116 122.471 120.300 0.091 0.000 2.316 102 Y HA 0.234 4.784 4.550 -0.001 0.000 0.324 102 Y C -1.668 174.267 175.900 0.059 0.000 1.267 102 Y CA -3.924 54.223 58.100 0.078 0.000 1.311 102 Y CB -0.237 38.267 38.460 0.072 0.000 1.267 102 Y HN 0.015 nan 8.280 nan 0.000 0.516 103 P HA 0.062 nan 4.420 nan 0.000 0.271 103 P C -2.205 175.178 177.300 0.138 0.000 1.233 103 P CA -1.128 62.050 63.100 0.131 0.000 0.789 103 P CB 0.406 32.157 31.700 0.086 0.000 0.951 104 P HA -0.224 nan 4.420 nan 0.000 0.214 104 P C 1.928 179.294 177.300 0.111 0.000 1.163 104 P CA 2.390 65.538 63.100 0.081 0.000 0.889 104 P CB -0.437 31.296 31.700 0.055 0.000 0.790 105 S N -0.788 114.983 115.700 0.118 0.000 2.387 105 S HA -0.218 4.252 4.470 -0.000 0.000 0.230 105 S C 1.602 176.346 174.600 0.239 0.000 1.035 105 S CA 1.150 59.444 58.200 0.157 0.000 1.014 105 S CB -1.201 62.063 63.200 0.107 0.000 0.836 105 S HN 0.145 nan 8.310 nan 0.000 0.466 106 Q N 0.987 120.907 119.800 0.200 0.000 2.282 106 Q HA 0.307 4.647 4.340 -0.000 0.000 0.205 106 Q C 1.095 177.316 176.000 0.370 0.000 0.915 106 Q CA 0.544 56.480 55.803 0.223 0.000 0.949 106 Q CB -0.077 28.702 28.738 0.069 0.000 1.035 106 Q HN 0.853 nan 8.270 nan 0.000 0.484 107 G N 1.652 110.657 108.800 0.342 0.000 2.165 107 G HA2 -0.292 3.668 3.960 -0.000 0.000 0.226 107 G HA3 -0.292 3.668 3.960 -0.000 0.000 0.226 107 G C -0.017 174.973 174.900 0.149 0.000 1.035 107 G CA 0.165 45.413 45.100 0.246 0.000 0.744 107 G HN 0.431 nan 8.290 nan 0.000 0.501 108 Q N -0.179 119.701 119.800 0.134 0.000 2.304 108 Q HA 0.226 4.565 4.340 -0.000 0.000 0.315 108 Q C 1.158 177.138 176.000 -0.032 0.000 1.075 108 Q CA -0.033 55.800 55.803 0.049 0.000 0.988 108 Q CB 0.279 29.051 28.738 0.057 0.000 1.146 108 Q HN 0.541 nan 8.270 nan 0.000 0.383 109 M N 3.891 123.437 119.600 -0.091 0.000 2.284 109 M HA -0.072 4.408 4.480 -0.000 0.000 0.351 109 M C -0.788 175.473 176.300 -0.066 0.000 1.443 109 M CA 0.960 56.204 55.300 -0.093 0.000 1.031 109 M CB 0.213 32.738 32.600 -0.125 0.000 1.893 109 M HN 0.709 nan 8.290 nan 0.000 0.456 110 D N 3.917 124.285 120.400 -0.054 0.000 2.552 110 D HA 0.701 5.341 4.640 -0.000 0.000 0.239 110 D C -1.834 174.457 176.300 -0.015 0.000 1.139 110 D CA -0.377 53.602 54.000 -0.035 0.000 0.914 110 D CB 1.653 42.433 40.800 -0.034 0.000 1.461 110 D HN 0.508 nan 8.370 nan 0.000 0.462 111 L N 0.554 121.779 121.223 0.004 0.000 2.354 111 L HA 0.622 4.962 4.340 -0.000 0.000 0.264 111 L C -1.044 175.852 176.870 0.045 0.000 1.008 111 L CA -0.659 54.207 54.840 0.042 0.000 0.819 111 L CB 2.216 44.299 42.059 0.040 0.000 1.339 111 L HN 0.513 nan 8.230 nan 0.000 0.420 112 C N 2.090 121.439 119.300 0.081 0.000 2.481 112 C HA 0.732 5.192 4.460 -0.000 0.000 0.324 112 C C -0.547 174.522 174.990 0.131 0.000 1.170 112 C CA -0.610 58.453 59.018 0.074 0.000 1.361 112 C CB 1.127 28.893 27.740 0.044 0.000 1.977 112 C HN 0.521 nan 8.230 nan 0.000 0.459 113 V N 6.070 126.055 119.914 0.119 0.000 2.546 113 V HA 0.588 4.708 4.120 -0.000 0.000 0.284 113 V C 0.841 177.014 176.094 0.131 0.000 1.050 113 V CA 0.198 62.597 62.300 0.165 0.000 0.981 113 V CB 1.601 33.507 31.823 0.139 0.000 0.990 113 V HN 1.013 nan 8.190 nan 0.000 0.474 114 T N 0.648 115.284 114.554 0.138 0.000 2.907 114 T HA 0.399 4.749 4.350 -0.000 0.000 0.290 114 T C -0.014 174.739 174.700 0.087 0.000 1.066 114 T CA -0.737 61.409 62.100 0.077 0.000 1.012 114 T CB 1.684 70.568 68.868 0.026 0.000 1.184 114 T HN 0.372 nan 8.240 nan 0.000 0.522 115 S N 1.432 117.160 115.700 0.047 0.000 4.139 115 S HA 0.570 5.039 4.470 -0.000 0.000 0.215 115 S C 0.807 175.432 174.600 0.042 0.000 1.390 115 S CA 0.148 58.376 58.200 0.046 0.000 0.885 115 S CB -1.093 62.115 63.200 0.014 0.000 1.560 115 S HN 1.466 nan 8.310 nan 0.000 0.449 116 G N 1.679 110.521 108.800 0.070 0.000 2.692 116 G HA2 -0.200 3.759 3.960 -0.000 0.000 0.686 116 G HA3 -0.200 3.759 3.960 -0.000 0.000 0.686 116 G C 0.665 175.570 174.900 0.008 0.000 1.243 116 G CA -0.342 44.788 45.100 0.051 0.000 0.782 116 G HN 0.773 nan 8.290 nan 0.000 0.625 117 S N -0.269 115.412 115.700 -0.031 0.000 2.419 117 S HA -0.129 4.341 4.470 -0.000 0.000 0.233 117 S C 1.939 176.484 174.600 -0.092 0.000 1.016 117 S CA 2.004 60.145 58.200 -0.098 0.000 0.974 117 S CB -0.139 62.964 63.200 -0.163 0.000 0.786 117 S HN 0.791 nan 8.310 nan 0.000 0.492 118 Q N 0.472 120.242 119.800 -0.049 0.000 2.291 118 Q HA -0.058 4.282 4.340 -0.000 0.000 0.205 118 Q C 2.410 178.365 176.000 -0.076 0.000 0.970 118 Q CA 1.184 56.963 55.803 -0.040 0.000 0.876 118 Q CB -0.192 28.568 28.738 0.036 0.000 0.935 118 Q HN 0.745 nan 8.270 nan 0.000 0.455 119 Q N -0.280 119.480 119.800 -0.066 0.000 2.079 119 Q HA -0.137 4.203 4.340 -0.000 0.000 0.200 119 Q C 1.923 177.845 176.000 -0.131 0.000 0.974 119 Q CA 1.455 57.207 55.803 -0.086 0.000 0.840 119 Q CB -0.108 28.593 28.738 -0.062 0.000 0.898 119 Q HN 0.448 nan 8.270 nan 0.000 0.430 120 G N 0.969 109.691 108.800 -0.129 0.000 2.402 120 G HA2 -0.233 3.727 3.960 -0.000 0.000 0.216 120 G HA3 -0.233 3.727 3.960 -0.000 0.000 0.216 120 G C 1.339 176.095 174.900 -0.241 0.000 1.162 120 G CA 0.545 45.555 45.100 -0.149 0.000 0.777 120 G HN 0.311 nan 8.290 nan 0.000 0.539 121 L N 0.548 121.590 121.223 -0.302 0.000 1.989 121 L HA -0.063 4.277 4.340 -0.000 0.000 0.211 121 L C 2.916 179.322 176.870 -0.774 0.000 1.071 121 L CA 1.701 56.200 54.840 -0.567 0.000 0.749 121 L CB -0.868 40.909 42.059 -0.470 0.000 0.890 121 L HN 0.316 nan 8.230 nan 0.000 0.431 122 C N -0.173 118.870 119.300 -0.429 0.000 2.401 122 C HA -0.209 4.251 4.460 -0.000 0.000 0.276 122 C C 2.851 177.754 174.990 -0.145 0.000 1.233 122 C CA 1.191 60.067 59.018 -0.236 0.000 1.753 122 C CB -0.863 26.817 27.740 -0.100 0.000 2.029 122 C HN 0.481 nan 8.230 nan 0.000 0.478 123 K N -0.043 120.262 120.400 -0.158 0.000 2.148 123 K HA -0.079 4.241 4.320 -0.000 0.000 0.204 123 K C 1.890 178.482 176.600 -0.012 0.000 1.050 123 K CA 1.310 57.560 56.287 -0.061 0.000 0.942 123 K CB -0.360 32.070 32.500 -0.116 0.000 0.724 123 K HN 0.466 nan 8.250 nan 0.000 0.446 124 V N 1.225 121.053 119.914 -0.142 0.000 2.307 124 V HA -0.227 3.892 4.120 -0.000 0.000 0.245 124 V C 2.132 178.240 176.094 0.024 0.000 1.045 124 V CA 1.664 63.893 62.300 -0.119 0.000 1.024 124 V CB -0.568 31.105 31.823 -0.249 0.000 0.651 124 V HN 0.090 nan 8.190 nan 0.000 0.449 125 F N 0.867 120.794 119.950 -0.039 0.000 2.134 125 F HA -0.132 4.395 4.527 -0.000 0.000 0.299 125 F C 2.471 178.321 175.800 0.084 0.000 1.097 125 F CA 1.248 59.263 58.000 0.025 0.000 1.264 125 F CB -1.127 37.880 39.000 0.011 0.000 1.001 125 F HN 0.269 nan 8.300 nan 0.000 0.479 126 E N -0.190 120.167 120.200 0.262 0.000 2.077 126 E HA -0.250 4.100 4.350 -0.000 0.000 0.193 126 E C 2.253 178.949 176.600 0.159 0.000 0.989 126 E CA 1.310 57.827 56.400 0.196 0.000 0.800 126 E CB -0.367 29.459 29.700 0.211 0.000 0.746 126 E HN 0.399 nan 8.360 nan 0.000 0.452 127 M N 0.559 120.254 119.600 0.157 0.000 2.213 127 M HA -0.169 4.311 4.480 -0.000 0.000 0.263 127 M C 1.770 178.160 176.300 0.151 0.000 1.062 127 M CA 1.629 57.005 55.300 0.126 0.000 1.105 127 M CB 0.084 32.749 32.600 0.110 0.000 1.385 127 M HN 0.081 nan 8.290 nan 0.000 0.417 128 I N -0.332 120.360 120.570 0.204 0.000 2.556 128 I HA 0.049 4.219 4.170 -0.000 0.000 0.251 128 I C 0.549 176.794 176.117 0.214 0.000 1.105 128 I CA 0.169 61.623 61.300 0.258 0.000 1.436 128 I CB 0.254 38.483 38.000 0.381 0.000 1.139 128 I HN 0.107 nan 8.210 nan 0.000 0.438 129 I N 2.245 122.934 120.570 0.198 0.000 2.342 129 I HA 0.113 4.282 4.170 -0.000 0.000 0.291 129 I C -0.366 175.790 176.117 0.064 0.000 1.010 129 I CA -0.140 61.233 61.300 0.122 0.000 1.308 129 I CB 0.424 38.494 38.000 0.116 0.000 1.400 129 I HN 0.156 nan 8.210 nan 0.000 0.488 130 N N 7.444 126.162 118.700 0.030 0.000 2.417 130 N HA 0.416 5.156 4.740 -0.000 0.000 0.300 130 N C -2.551 172.952 175.510 -0.011 0.000 1.102 130 N CA -1.699 51.357 53.050 0.009 0.000 0.886 130 N CB 1.296 39.784 38.487 0.002 0.000 1.203 130 N HN 0.166 nan 8.380 nan 0.000 0.496 131 P HA 0.015 nan 4.420 nan 0.000 0.263 131 P C 0.864 178.147 177.300 -0.028 0.000 1.175 131 P CA 0.928 64.011 63.100 -0.029 0.000 0.761 131 P CB 0.299 31.984 31.700 -0.026 0.000 0.794 132 G N 1.733 110.512 108.800 -0.034 0.000 2.225 132 G HA2 -0.211 3.749 3.960 -0.000 0.000 0.254 132 G HA3 -0.211 3.749 3.960 -0.000 0.000 0.254 132 G C 0.046 174.924 174.900 -0.037 0.000 0.988 132 G CA -0.167 44.917 45.100 -0.027 0.000 0.625 132 G HN 0.507 nan 8.290 nan 0.000 0.527 133 D N 0.912 121.278 120.400 -0.057 0.000 2.399 133 D HA 0.342 4.982 4.640 -0.000 0.000 0.241 133 D C 0.633 176.856 176.300 -0.128 0.000 1.133 133 D CA 0.120 54.066 54.000 -0.090 0.000 0.890 133 D CB 0.280 41.023 40.800 -0.093 0.000 1.201 133 D HN 0.489 nan 8.370 nan 0.000 0.432 134 N N 0.062 118.662 118.700 -0.166 0.000 2.434 134 N HA 0.380 5.119 4.740 -0.000 0.000 0.272 134 N C -0.637 174.650 175.510 -0.371 0.000 1.040 134 N CA -0.643 52.290 53.050 -0.195 0.000 0.956 134 N CB 1.379 39.778 38.487 -0.147 0.000 1.108 134 N HN 0.150 nan 8.380 nan 0.000 0.481 135 V N 0.535 120.212 119.914 -0.396 0.000 2.823 135 V HA 0.660 4.779 4.120 -0.000 0.000 0.312 135 V C -0.767 175.095 176.094 -0.386 0.000 1.072 135 V CA -1.009 60.913 62.300 -0.630 0.000 0.937 135 V CB 1.443 32.681 31.823 -0.976 0.000 1.013 135 V HN 0.405 nan 8.190 nan 0.000 0.430 136 L N 5.525 126.516 121.223 -0.386 0.000 2.329 136 L HA 0.870 5.210 4.340 -0.000 0.000 0.279 136 L C -0.288 176.561 176.870 -0.034 0.000 1.014 136 L CA -0.606 54.115 54.840 -0.198 0.000 0.814 136 L CB 1.587 43.477 42.059 -0.282 0.000 1.257 136 L HN 0.900 nan 8.230 nan 0.000 0.424 137 L N -0.110 121.124 121.223 0.018 0.000 2.838 137 L HA 0.630 4.969 4.340 -0.000 0.000 0.266 137 L C -2.064 174.848 176.870 0.070 0.000 1.040 137 L CA -0.954 53.952 54.840 0.110 0.000 0.906 137 L CB 2.557 44.754 42.059 0.230 0.000 1.501 137 L HN 0.609 nan 8.230 nan 0.000 0.407 138 D N 0.139 120.586 120.400 0.078 0.000 2.233 138 D HA 0.376 5.016 4.640 -0.000 0.000 0.240 138 D C -0.821 175.483 176.300 0.008 0.000 1.074 138 D CA -0.267 53.757 54.000 0.039 0.000 0.838 138 D CB 2.304 43.120 40.800 0.026 0.000 1.124 138 D HN 0.635 nan 8.370 nan 0.000 0.475 139 E N 1.778 121.971 120.200 -0.012 0.000 2.242 139 E HA 0.311 4.661 4.350 -0.000 0.000 0.275 139 E C -2.066 174.441 176.600 -0.156 0.000 1.002 139 E CA -1.930 54.399 56.400 -0.118 0.000 0.841 139 E CB 1.402 31.072 29.700 -0.050 0.000 1.109 139 E HN 0.376 nan 8.360 nan 0.000 0.394 140 P HA 0.089 nan 4.420 nan 0.000 0.269 140 P C -1.313 175.767 177.300 -0.367 0.000 1.209 140 P CA -0.044 62.649 63.100 -0.679 0.000 0.776 140 P CB 0.990 32.154 31.700 -0.894 0.000 0.876 141 A N 2.598 125.297 122.820 -0.201 0.000 2.479 141 A HA 0.434 4.754 4.320 -0.000 0.000 0.296 141 A C -1.158 176.544 177.584 0.196 0.000 1.121 141 A CA -0.773 51.270 52.037 0.010 0.000 0.743 141 A CB 0.651 19.697 19.000 0.077 0.000 1.323 141 A HN 0.492 nan 8.150 nan 0.000 0.415 142 Y N 1.999 122.378 120.300 0.132 0.000 2.802 142 Y HA 0.095 4.644 4.550 -0.000 0.000 0.333 142 Y C 1.705 177.683 175.900 0.130 0.000 1.244 142 Y CA 0.321 58.542 58.100 0.201 0.000 1.558 142 Y CB 0.454 39.022 38.460 0.179 0.000 1.233 142 Y HN 0.777 nan 8.280 nan 0.000 0.547 143 S N 3.002 118.573 115.700 -0.216 0.000 2.383 143 S HA -0.180 4.290 4.470 -0.000 0.000 0.229 143 S C 2.133 176.337 174.600 -0.659 0.000 1.030 143 S CA 1.043 58.953 58.200 -0.484 0.000 1.002 143 S CB -1.057 61.793 63.200 -0.585 0.000 0.829 143 S HN 0.887 nan 8.310 nan 0.000 0.467 144 G N 1.432 109.410 108.800 -1.371 0.000 2.422 144 G HA2 -0.123 3.837 3.960 -0.000 0.000 0.218 144 G HA3 -0.123 3.837 3.960 -0.000 0.000 0.218 144 G C 1.457 176.081 174.900 -0.460 0.000 1.146 144 G CA 1.343 45.880 45.100 -0.938 0.000 0.769 144 G HN 0.543 nan 8.290 nan 0.000 0.547 145 T N 1.586 115.899 114.554 -0.401 0.000 2.708 145 T HA -0.060 4.289 4.350 -0.000 0.000 0.266 145 T C 2.421 177.023 174.700 -0.164 0.000 1.037 145 T CA 0.980 63.027 62.100 -0.088 0.000 1.146 145 T CB -0.254 68.590 68.868 -0.040 0.000 0.865 145 T HN 0.156 nan 8.240 nan 0.000 0.435 146 L N 0.875 121.985 121.223 -0.188 0.000 2.042 146 L HA -0.153 4.187 4.340 -0.000 0.000 0.210 146 L C 2.957 179.765 176.870 -0.103 0.000 1.076 146 L CA 1.176 55.929 54.840 -0.146 0.000 0.749 146 L CB -0.601 41.374 42.059 -0.139 0.000 0.893 146 L HN 0.246 nan 8.230 nan 0.000 0.432 147 Q N -1.004 118.719 119.800 -0.127 0.000 2.230 147 Q HA -0.120 4.220 4.340 -0.000 0.000 0.202 147 Q C 2.409 178.415 176.000 0.009 0.000 0.963 147 Q CA 1.271 57.038 55.803 -0.060 0.000 0.866 147 Q CB -0.168 28.509 28.738 -0.101 0.000 0.931 147 Q HN 0.377 nan 8.270 nan 0.000 0.452 148 S N 0.389 116.087 115.700 -0.004 0.000 2.357 148 S HA -0.007 4.463 4.470 -0.000 0.000 0.221 148 S C 1.957 176.579 174.600 0.038 0.000 1.031 148 S CA 0.535 58.775 58.200 0.066 0.000 0.982 148 S CB 0.004 63.308 63.200 0.174 0.000 0.853 148 S HN 0.274 nan 8.310 nan 0.000 0.458 149 L N 0.458 121.638 121.223 -0.072 0.000 2.072 149 L HA -0.034 4.306 4.340 -0.000 0.000 0.205 149 L C 2.484 179.320 176.870 -0.056 0.000 1.079 149 L CA 1.638 56.389 54.840 -0.148 0.000 0.752 149 L CB -0.832 41.059 42.059 -0.280 0.000 0.906 149 L HN 0.476 nan 8.230 nan 0.000 0.436 150 H N 1.240 120.255 119.070 -0.092 0.000 2.292 150 H HA -0.179 4.377 4.556 -0.001 0.000 0.292 150 H C -0.670 174.634 175.328 -0.041 0.000 1.100 150 H CA 2.335 58.345 56.048 -0.064 0.000 1.238 150 H CB -1.216 28.511 29.762 -0.059 0.000 1.355 150 H HN 0.126 nan 8.280 nan 0.000 0.484 151 P HA -0.041 nan 4.420 nan 0.000 0.226 151 P C 1.144 178.350 177.300 -0.157 0.000 1.153 151 P CA 0.953 63.898 63.100 -0.258 0.000 0.777 151 P CB 0.026 31.681 31.700 -0.075 0.000 0.794 152 L N -2.010 119.152 121.223 -0.102 0.000 2.552 152 L HA 0.167 4.506 4.340 -0.000 0.000 0.227 152 L C 1.444 178.271 176.870 -0.072 0.000 1.146 152 L CA 0.688 55.496 54.840 -0.053 0.000 0.858 152 L CB -1.119 40.934 42.059 -0.011 0.000 0.969 152 L HN 0.113 nan 8.230 nan 0.000 0.451 153 G N 0.604 109.333 108.800 -0.118 0.000 2.198 153 G HA2 -0.308 3.652 3.960 -0.000 0.000 0.260 153 G HA3 -0.308 3.652 3.960 -0.000 0.000 0.260 153 G C 0.384 175.238 174.900 -0.076 0.000 1.025 153 G CA 0.194 45.233 45.100 -0.102 0.000 0.769 153 G HN 0.499 nan 8.290 nan 0.000 0.507 154 C N -0.677 118.573 119.300 -0.084 0.000 2.443 154 C HA 0.751 5.211 4.460 -0.000 0.000 0.369 154 C C 0.549 175.492 174.990 -0.079 0.000 1.241 154 C CA -1.877 57.087 59.018 -0.091 0.000 2.413 154 C CB 0.907 28.568 27.740 -0.132 0.000 2.451 154 C HN 0.432 nan 8.230 nan 0.000 0.595 155 N N 2.180 120.838 118.700 -0.071 0.000 2.411 155 N HA 0.288 5.028 4.740 -0.000 0.000 0.259 155 N C -0.303 175.161 175.510 -0.076 0.000 1.103 155 N CA -0.071 52.950 53.050 -0.048 0.000 0.954 155 N CB 0.561 39.041 38.487 -0.012 0.000 1.085 155 N HN 0.600 nan 8.380 nan 0.000 0.485 156 I N 3.706 124.239 120.570 -0.061 0.000 2.312 156 I HA 0.257 4.427 4.170 -0.000 0.000 0.291 156 I C 0.509 176.607 176.117 -0.032 0.000 1.031 156 I CA -0.340 60.918 61.300 -0.070 0.000 1.293 156 I CB 0.193 38.161 38.000 -0.054 0.000 1.403 156 I HN 0.255 nan 8.210 nan 0.000 0.484 157 I N 5.984 126.532 120.570 -0.037 0.000 2.307 157 I HA 0.172 4.341 4.170 -0.000 0.000 0.289 157 I C 0.440 176.557 176.117 0.000 0.000 1.021 157 I CA -0.524 60.776 61.300 0.000 0.000 1.224 157 I CB 0.965 38.990 38.000 0.042 0.000 1.376 157 I HN 0.489 nan 8.210 nan 0.000 0.470 158 N N 5.594 124.306 118.700 0.019 0.000 2.492 158 N HA 0.199 4.939 4.740 -0.000 0.000 0.262 158 N C -0.993 174.535 175.510 0.030 0.000 1.202 158 N CA 0.089 53.159 53.050 0.034 0.000 0.926 158 N CB 0.976 39.499 38.487 0.059 0.000 1.078 158 N HN 0.267 nan 8.380 nan 0.000 0.454 159 V N 2.274 122.208 119.914 0.033 0.000 2.495 159 V HA 0.610 4.729 4.120 -0.000 0.000 0.298 159 V C 0.256 176.378 176.094 0.047 0.000 1.031 159 V CA -1.252 61.068 62.300 0.033 0.000 0.871 159 V CB 1.145 32.983 31.823 0.025 0.000 0.988 159 V HN 0.887 nan 8.190 nan 0.000 0.432 160 A N 4.194 127.045 122.820 0.051 0.000 2.540 160 A HA 0.542 4.861 4.320 -0.000 0.000 0.239 160 A C 0.606 178.224 177.584 0.057 0.000 1.061 160 A CA 0.419 52.493 52.037 0.062 0.000 0.758 160 A CB 0.014 19.051 19.000 0.062 0.000 0.991 160 A HN 1.194 nan 8.150 nan 0.000 0.502 161 S N 1.192 116.928 115.700 0.060 0.000 2.634 161 S HA 0.839 5.309 4.470 -0.000 0.000 0.296 161 S C -0.734 173.901 174.600 0.058 0.000 1.104 161 S CA -0.145 58.083 58.200 0.046 0.000 0.920 161 S CB 2.010 65.223 63.200 0.021 0.000 1.111 161 S HN 0.901 nan 8.310 nan 0.000 0.493 162 D N -0.846 119.576 120.400 0.037 0.000 3.225 162 D HA 0.235 4.875 4.640 -0.000 0.000 0.294 162 D C 0.657 176.935 176.300 -0.037 0.000 1.306 162 D CA -0.449 53.572 54.000 0.035 0.000 1.019 162 D CB -0.324 40.498 40.800 0.036 0.000 1.344 162 D HN 0.520 nan 8.370 nan 0.000 0.615 163 E N -0.146 119.965 120.200 -0.149 0.000 2.482 163 E HA 0.013 4.363 4.350 -0.000 0.000 0.196 163 E C 0.187 176.701 176.600 -0.144 0.000 1.047 163 E CA 0.457 56.674 56.400 -0.305 0.000 0.869 163 E CB -0.167 29.065 29.700 -0.779 0.000 0.836 163 E HN 0.200 nan 8.360 nan 0.000 0.520 164 S N 0.178 115.833 115.700 -0.076 0.000 2.602 164 S HA 0.454 4.923 4.470 -0.000 0.000 0.240 164 S C 0.579 175.171 174.600 -0.013 0.000 0.992 164 S CA 0.132 58.310 58.200 -0.036 0.000 0.971 164 S CB 0.651 63.839 63.200 -0.020 0.000 0.855 164 S HN 0.709 nan 8.310 nan 0.000 0.481 165 G N 2.049 110.840 108.800 -0.014 0.000 2.527 165 G HA2 -0.229 3.731 3.960 -0.000 0.000 0.227 165 G HA3 -0.229 3.731 3.960 -0.000 0.000 0.227 165 G C -0.322 174.594 174.900 0.027 0.000 1.291 165 G CA -0.745 44.358 45.100 0.004 0.000 0.904 165 G HN 0.362 nan 8.290 nan 0.000 0.577 166 I N 0.691 121.289 120.570 0.048 0.000 2.906 166 I HA 0.092 4.262 4.170 -0.000 0.000 0.301 166 I C 1.025 177.182 176.117 0.068 0.000 1.221 166 I CA 0.200 61.538 61.300 0.064 0.000 1.435 166 I CB 0.439 38.493 38.000 0.089 0.000 1.345 166 I HN 0.372 nan 8.210 nan 0.000 0.558 167 V N 9.803 129.754 119.914 0.061 0.000 2.389 167 V HA 0.075 4.194 4.120 -0.000 0.000 0.264 167 V C -1.335 174.800 176.094 0.070 0.000 1.049 167 V CA -1.046 61.290 62.300 0.060 0.000 0.932 167 V CB 0.833 32.688 31.823 0.054 0.000 1.011 167 V HN 0.678 nan 8.190 nan 0.000 0.475 168 P HA -0.123 nan 4.420 nan 0.000 0.217 168 P C 0.967 178.314 177.300 0.079 0.000 1.148 168 P CA 1.093 64.248 63.100 0.093 0.000 0.828 168 P CB 0.290 32.050 31.700 0.100 0.000 0.783 169 D N -1.538 118.902 120.400 0.066 0.000 2.178 169 D HA -0.109 4.530 4.640 -0.000 0.000 0.202 169 D C 2.093 178.422 176.300 0.048 0.000 0.974 169 D CA 1.155 55.189 54.000 0.057 0.000 0.841 169 D CB -0.754 40.076 40.800 0.050 0.000 0.953 169 D HN 0.088 nan 8.370 nan 0.000 0.478 170 S N -0.313 115.416 115.700 0.048 0.000 2.371 170 S HA -0.091 4.379 4.470 -0.000 0.000 0.224 170 S C 1.790 176.409 174.600 0.033 0.000 1.029 170 S CA 0.346 58.569 58.200 0.038 0.000 0.978 170 S CB -0.198 63.027 63.200 0.043 0.000 0.833 170 S HN 0.130 nan 8.310 nan 0.000 0.466 171 L N 2.265 123.515 121.223 0.045 0.000 2.017 171 L HA 0.121 4.460 4.340 -0.000 0.000 0.208 171 L C 2.473 179.359 176.870 0.026 0.000 1.073 171 L CA 1.946 56.811 54.840 0.041 0.000 0.745 171 L CB -0.996 41.108 42.059 0.076 0.000 0.894 171 L HN 0.307 nan 8.230 nan 0.000 0.432 172 R N -0.629 119.900 120.500 0.047 0.000 2.083 172 R HA -0.217 4.123 4.340 -0.000 0.000 0.237 172 R C 2.227 178.540 176.300 0.022 0.000 1.137 172 R CA 2.002 58.132 56.100 0.050 0.000 0.951 172 R CB -0.519 29.830 30.300 0.082 0.000 0.851 172 R HN 0.558 nan 8.270 nan 0.000 0.434 173 D N 0.075 120.486 120.400 0.018 0.000 2.117 173 D HA -0.141 4.499 4.640 -0.000 0.000 0.198 173 D C 1.971 178.249 176.300 -0.037 0.000 0.982 173 D CA 1.232 55.232 54.000 0.000 0.000 0.828 173 D CB 0.036 40.838 40.800 0.004 0.000 0.967 173 D HN 0.285 nan 8.370 nan 0.000 0.464 174 I N 0.698 121.247 120.570 -0.036 0.000 2.208 174 I HA -0.268 3.902 4.170 -0.000 0.000 0.245 174 I C 2.494 178.561 176.117 -0.082 0.000 1.097 174 I CA 0.745 62.007 61.300 -0.064 0.000 1.363 174 I CB -0.079 37.917 38.000 -0.007 0.000 1.051 174 I HN 0.040 nan 8.210 nan 0.000 0.413 175 L N 0.058 121.254 121.223 -0.044 0.000 2.291 175 L HA -0.125 4.215 4.340 -0.000 0.000 0.214 175 L C 2.598 179.437 176.870 -0.052 0.000 1.120 175 L CA 1.056 55.852 54.840 -0.073 0.000 0.799 175 L CB -0.532 41.167 42.059 -0.598 0.000 0.925 175 L HN 0.355 nan 8.230 nan 0.000 0.446 176 S N 0.692 116.375 115.700 -0.028 0.000 2.493 176 S HA -0.228 4.242 4.470 -0.000 0.000 0.243 176 S C 1.946 176.534 174.600 -0.019 0.000 0.991 176 S CA 0.912 59.149 58.200 0.062 0.000 0.957 176 S CB -0.531 62.693 63.200 0.040 0.000 0.756 176 S HN 0.611 nan 8.310 nan 0.000 0.521 177 R N -0.650 119.710 120.500 -0.232 0.000 2.339 177 R HA 0.105 4.445 4.340 -0.000 0.000 0.199 177 R C -0.231 175.794 176.300 -0.457 0.000 1.018 177 R CA 0.072 55.899 56.100 -0.455 0.000 1.036 177 R CB -0.091 29.730 30.300 -0.798 0.000 0.899 177 R HN 0.475 nan 8.270 nan 0.000 0.473 178 W N 1.559 122.922 121.300 0.104 0.000 2.864 178 W HA 0.434 5.094 4.660 -0.000 0.000 0.343 178 W C -0.522 176.138 176.519 0.235 0.000 1.109 178 W CA -1.310 56.127 57.345 0.153 0.000 1.192 178 W CB 1.340 30.904 29.460 0.174 0.000 1.426 178 W HN -0.184 nan 8.180 nan 0.000 0.529 179 K N 2.172 122.800 120.400 0.381 0.000 2.234 179 K HA 0.162 4.481 4.320 -0.000 0.000 0.282 179 K C -1.603 175.082 176.600 0.143 0.000 1.039 179 K CA -1.299 55.113 56.287 0.207 0.000 0.928 179 K CB 1.390 33.961 32.500 0.118 0.000 1.039 179 K HN -0.054 nan 8.250 nan 0.000 0.470 180 P HA -0.267 nan 4.420 nan 0.000 0.216 180 P C 0.765 178.006 177.300 -0.098 0.000 1.157 180 P CA 1.357 64.309 63.100 -0.247 0.000 0.880 180 P CB 0.197 31.689 31.700 -0.347 0.000 0.791 181 E N -1.048 119.119 120.200 -0.056 0.000 2.511 181 E HA -0.122 4.228 4.350 -0.000 0.000 0.196 181 E C 0.572 177.164 176.600 -0.013 0.000 1.066 181 E CA 0.840 57.218 56.400 -0.037 0.000 0.871 181 E CB -0.792 28.890 29.700 -0.029 0.000 0.863 181 E HN 0.293 nan 8.360 nan 0.000 0.520 182 D N 1.384 121.794 120.400 0.017 0.000 2.347 182 D HA 0.097 4.736 4.640 -0.000 0.000 0.213 182 D C 1.754 178.046 176.300 -0.012 0.000 0.985 182 D CA 0.870 54.884 54.000 0.024 0.000 0.879 182 D CB 0.182 41.031 40.800 0.082 0.000 0.919 182 D HN 0.296 nan 8.370 nan 0.000 0.526 183 A N 1.246 124.052 122.820 -0.023 0.000 1.892 183 A HA -0.210 4.109 4.320 -0.000 0.000 0.218 183 A C 1.927 179.449 177.584 -0.104 0.000 1.188 183 A CA 1.379 53.382 52.037 -0.056 0.000 0.631 183 A CB -0.248 18.735 19.000 -0.029 0.000 0.822 183 A HN 0.129 nan 8.150 nan 0.000 0.447 184 K N -0.342 120.004 120.400 -0.091 0.000 2.404 184 K HA 0.053 4.372 4.320 -0.000 0.000 0.194 184 K C 0.106 176.654 176.600 -0.086 0.000 1.023 184 K CA -0.265 55.956 56.287 -0.110 0.000 1.094 184 K CB 0.037 32.482 32.500 -0.092 0.000 0.841 184 K HN 0.311 nan 8.250 nan 0.000 0.523 185 N N 2.369 121.030 118.700 -0.064 0.000 2.406 185 N HA 0.027 4.767 4.740 -0.000 0.000 0.265 185 N C -2.094 173.381 175.510 -0.059 0.000 1.203 185 N CA -1.683 51.339 53.050 -0.048 0.000 0.945 185 N CB 1.250 39.723 38.487 -0.023 0.000 1.165 185 N HN -0.108 nan 8.380 nan 0.000 0.485 186 P HA -0.075 nan 4.420 nan 0.000 0.222 186 P C 0.753 178.024 177.300 -0.047 0.000 1.147 186 P CA 1.007 64.067 63.100 -0.065 0.000 0.790 186 P CB 0.412 32.080 31.700 -0.053 0.000 0.780 187 Q N -1.064 118.718 119.800 -0.030 0.000 2.425 187 Q HA 0.069 4.408 4.340 -0.000 0.000 0.204 187 Q C 0.302 176.299 176.000 -0.005 0.000 0.933 187 Q CA 0.776 56.569 55.803 -0.016 0.000 0.939 187 Q CB 0.276 29.009 28.738 -0.008 0.000 1.044 187 Q HN 0.302 nan 8.270 nan 0.000 0.513 188 K N 1.059 121.454 120.400 -0.009 0.000 2.156 188 K HA 0.236 4.556 4.320 -0.000 0.000 0.250 188 K C -0.208 176.386 176.600 -0.010 0.000 0.955 188 K CA -0.617 55.680 56.287 0.017 0.000 0.855 188 K CB 1.033 33.554 32.500 0.035 0.000 1.101 188 K HN -0.190 nan 8.250 nan 0.000 0.434 189 N N 1.365 120.079 118.700 0.023 0.000 2.908 189 N HA 0.020 4.760 4.740 -0.000 0.000 0.316 189 N C -0.900 174.507 175.510 -0.171 0.000 1.619 189 N CA -0.170 52.861 53.050 -0.032 0.000 1.045 189 N CB 0.212 38.716 38.487 0.030 0.000 1.357 189 N HN 0.559 nan 8.380 nan 0.000 0.501 190 T N -1.335 113.031 114.554 -0.314 0.000 2.860 190 T HA 0.385 4.735 4.350 -0.000 0.000 0.299 190 T C -2.399 171.922 174.700 -0.632 0.000 1.045 190 T CA -1.446 60.225 62.100 -0.714 0.000 1.071 190 T CB 0.591 69.220 68.868 -0.400 0.000 0.985 190 T HN 0.102 nan 8.240 nan 0.000 0.537 191 P HA 0.133 nan 4.420 nan 0.000 0.264 191 P C 0.724 177.873 177.300 -0.252 0.000 1.193 191 P CA -0.345 62.391 63.100 -0.607 0.000 0.763 191 P CB 0.491 31.733 31.700 -0.763 0.000 0.810 192 K N 2.762 123.042 120.400 -0.200 0.000 2.057 192 K HA -0.005 4.314 4.320 -0.000 0.000 0.206 192 K C 0.878 177.639 176.600 0.267 0.000 1.050 192 K CA 1.581 57.935 56.287 0.113 0.000 0.935 192 K CB -0.378 32.170 32.500 0.080 0.000 0.715 192 K HN 0.639 nan 8.250 nan 0.000 0.439 193 F N -2.091 117.859 119.950 0.001 0.000 2.693 193 F HA 0.478 5.005 4.527 -0.000 0.000 0.309 193 F C -1.472 174.194 175.800 -0.223 0.000 1.129 193 F CA -2.043 55.952 58.000 -0.009 0.000 0.948 193 F CB 0.573 39.609 39.000 0.060 0.000 1.315 193 F HN -0.242 nan 8.300 nan 0.000 0.447 194 L N 3.281 124.604 121.223 0.166 0.000 2.296 194 L HA 0.572 4.912 4.340 -0.000 0.000 0.286 194 L C -1.559 175.520 176.870 0.348 0.000 1.023 194 L CA -0.682 54.212 54.840 0.090 0.000 0.812 194 L CB 1.238 43.255 42.059 -0.071 0.000 1.223 194 L HN 0.748 nan 8.230 nan 0.000 0.421 195 Y N 4.349 124.822 120.300 0.289 0.000 2.328 195 Y HA 0.683 5.233 4.550 -0.001 0.000 0.337 195 Y C -0.436 175.532 175.900 0.114 0.000 1.008 195 Y CA -0.037 58.181 58.100 0.197 0.000 1.129 195 Y CB 1.430 40.063 38.460 0.287 0.000 1.185 195 Y HN 0.760 nan 8.280 nan 0.000 0.476 196 T N 4.895 119.100 114.554 -0.583 0.000 2.868 196 T HA 0.490 4.839 4.350 -0.000 0.000 0.306 196 T C -1.882 172.504 174.700 -0.523 0.000 1.224 196 T CA -0.636 61.175 62.100 -0.482 0.000 1.012 196 T CB 1.109 69.930 68.868 -0.078 0.000 1.221 196 T HN 0.399 nan 8.240 nan 0.000 0.499 197 V N 5.746 125.483 119.914 -0.296 0.000 2.277 197 V HA 0.335 4.455 4.120 -0.000 0.000 0.269 197 V C -1.448 174.622 176.094 -0.039 0.000 1.036 197 V CA -1.319 60.899 62.300 -0.137 0.000 0.821 197 V CB 1.127 32.926 31.823 -0.040 0.000 1.052 197 V HN 0.714 nan 8.190 nan 0.000 0.462 198 P HA 0.034 nan 4.420 nan 0.000 0.236 198 P C 0.086 177.377 177.300 -0.015 0.000 1.177 198 P CA 0.466 63.570 63.100 0.007 0.000 0.773 198 P CB 0.506 32.213 31.700 0.011 0.000 0.878 199 N N 0.583 119.285 118.700 0.003 0.000 2.443 199 N HA 0.306 5.045 4.740 -0.000 0.000 0.269 199 N C 0.438 175.967 175.510 0.031 0.000 0.985 199 N CA -0.153 52.895 53.050 -0.003 0.000 0.921 199 N CB 1.345 39.822 38.487 -0.017 0.000 1.195 199 N HN -0.025 nan 8.380 nan 0.000 0.492 200 G N 2.144 110.924 108.800 -0.034 0.000 2.350 200 G HA2 -0.319 3.641 3.960 -0.000 0.000 0.298 200 G HA3 -0.319 3.641 3.960 -0.000 0.000 0.298 200 G C 0.212 175.063 174.900 -0.081 0.000 1.037 200 G CA 0.100 45.138 45.100 -0.103 0.000 1.074 200 G HN 0.777 nan 8.290 nan 0.000 0.511 201 N N 0.092 118.767 118.700 -0.042 0.000 2.292 201 N HA 0.063 4.803 4.740 -0.000 0.000 0.258 201 N C 0.507 175.941 175.510 -0.127 0.000 1.261 201 N CA 0.362 53.380 53.050 -0.053 0.000 0.845 201 N CB 0.365 38.791 38.487 -0.102 0.000 1.064 201 N HN 0.419 nan 8.380 nan 0.000 0.471 202 N N 4.258 122.912 118.700 -0.077 0.000 2.408 202 N HA 0.235 4.974 4.740 -0.000 0.000 0.257 202 N C -2.117 173.143 175.510 -0.417 0.000 1.064 202 N CA -2.133 50.766 53.050 -0.252 0.000 0.952 202 N CB 1.155 39.587 38.487 -0.092 0.000 1.093 202 N HN 0.476 nan 8.380 nan 0.000 0.490 203 P HA 0.083 nan 4.420 nan 0.000 0.259 203 P C 0.878 177.717 177.300 -0.768 0.000 1.233 203 P CA 0.400 62.837 63.100 -1.105 0.000 0.827 203 P CB 0.238 30.790 31.700 -1.914 0.000 1.154 204 T N -3.775 110.295 114.554 -0.806 0.000 2.904 204 T HA 0.117 4.467 4.350 -0.000 0.000 0.267 204 T C 1.763 176.437 174.700 -0.044 0.000 1.059 204 T CA 1.470 63.227 62.100 -0.570 0.000 1.137 204 T CB -1.389 67.188 68.868 -0.485 0.000 0.879 204 T HN 0.195 nan 8.240 nan 0.000 0.467 205 G N 1.673 110.448 108.800 -0.042 0.000 2.179 205 G HA2 -0.236 3.723 3.960 -0.000 0.000 0.260 205 G HA3 -0.236 3.723 3.960 -0.000 0.000 0.260 205 G C -0.048 174.886 174.900 0.057 0.000 0.977 205 G CA 0.052 45.192 45.100 0.067 0.000 0.641 205 G HN 0.681 nan 8.290 nan 0.000 0.533 206 N N 0.300 119.004 118.700 0.007 0.000 2.495 206 N HA 0.645 5.384 4.740 -0.000 0.000 0.280 206 N C -0.408 175.090 175.510 -0.020 0.000 1.168 206 N CA 0.074 53.124 53.050 0.000 0.000 0.978 206 N CB 1.555 40.027 38.487 -0.025 0.000 1.191 206 N HN 0.131 nan 8.380 nan 0.000 0.497 207 S N 0.322 116.011 115.700 -0.018 0.000 2.536 207 S HA 0.442 4.912 4.470 -0.000 0.000 0.287 207 S C 0.009 174.595 174.600 -0.025 0.000 1.101 207 S CA -0.701 57.484 58.200 -0.024 0.000 0.950 207 S CB 1.353 64.536 63.200 -0.029 0.000 1.056 207 S HN 0.296 nan 8.310 nan 0.000 0.481 208 L N 3.119 124.326 121.223 -0.027 0.000 2.485 208 L HA 0.197 4.537 4.340 -0.000 0.000 0.275 208 L C 1.167 178.005 176.870 -0.053 0.000 1.207 208 L CA -0.047 54.775 54.840 -0.032 0.000 0.855 208 L CB 0.533 42.567 42.059 -0.042 0.000 1.114 208 L HN 0.743 nan 8.230 nan 0.000 0.485 209 T N -1.597 112.934 114.554 -0.038 0.000 2.874 209 T HA 0.160 4.509 4.350 -0.000 0.000 0.281 209 T C 1.178 175.841 174.700 -0.062 0.000 0.994 209 T CA -0.275 61.802 62.100 -0.038 0.000 1.015 209 T CB 1.484 70.344 68.868 -0.014 0.000 1.028 209 T HN 0.683 nan 8.240 nan 0.000 0.523 210 S N 0.415 116.081 115.700 -0.057 0.000 2.402 210 S HA -0.120 4.350 4.470 -0.000 0.000 0.229 210 S C 1.541 176.118 174.600 -0.040 0.000 1.021 210 S CA 0.755 58.911 58.200 -0.073 0.000 0.974 210 S CB -0.640 62.530 63.200 -0.050 0.000 0.800 210 S HN 0.765 nan 8.310 nan 0.000 0.484 211 E N 1.902 122.096 120.200 -0.010 0.000 2.077 211 E HA -0.008 4.341 4.350 -0.000 0.000 0.193 211 E C 2.320 178.942 176.600 0.038 0.000 0.989 211 E CA 1.167 57.577 56.400 0.016 0.000 0.800 211 E CB -0.318 29.393 29.700 0.019 0.000 0.746 211 E HN 0.573 nan 8.360 nan 0.000 0.452 212 R N 0.672 121.192 120.500 0.034 0.000 2.075 212 R HA -0.021 4.319 4.340 -0.000 0.000 0.232 212 R C 2.247 178.614 176.300 0.112 0.000 1.126 212 R CA 1.226 57.369 56.100 0.070 0.000 0.963 212 R CB -0.219 30.117 30.300 0.060 0.000 0.858 212 R HN 0.103 nan 8.270 nan 0.000 0.435 213 K N 1.102 121.517 120.400 0.026 0.000 2.020 213 K HA -0.207 4.113 4.320 -0.000 0.000 0.212 213 K C 2.034 178.759 176.600 0.208 0.000 1.050 213 K CA 1.799 58.084 56.287 -0.004 0.000 0.929 213 K CB -0.140 32.087 32.500 -0.455 0.000 0.714 213 K HN 0.160 nan 8.250 nan 0.000 0.443 214 K N 0.848 121.313 120.400 0.108 0.000 2.074 214 K HA -0.227 4.092 4.320 -0.000 0.000 0.209 214 K C 2.200 178.925 176.600 0.209 0.000 1.048 214 K CA 1.585 57.961 56.287 0.149 0.000 0.926 214 K CB -0.130 32.415 32.500 0.076 0.000 0.713 214 K HN 0.263 nan 8.250 nan 0.000 0.444 215 E N 0.800 121.103 120.200 0.173 0.000 2.072 215 E HA -0.145 4.204 4.350 -0.000 0.000 0.191 215 E C 1.997 178.717 176.600 0.200 0.000 0.985 215 E CA 0.880 57.377 56.400 0.163 0.000 0.801 215 E CB 0.031 29.808 29.700 0.128 0.000 0.750 215 E HN 0.241 nan 8.360 nan 0.000 0.452 216 I N -0.119 120.609 120.570 0.264 0.000 2.353 216 I HA -0.244 3.926 4.170 -0.000 0.000 0.248 216 I C 2.128 178.380 176.117 0.226 0.000 1.119 216 I CA 0.793 62.256 61.300 0.272 0.000 1.417 216 I CB -0.188 38.026 38.000 0.357 0.000 1.078 216 I HN 0.198 nan 8.210 nan 0.000 0.421 217 Y N 1.636 122.065 120.300 0.215 0.000 2.181 217 Y HA -0.312 4.238 4.550 -0.000 0.000 0.288 217 Y C 2.497 178.413 175.900 0.026 0.000 1.146 217 Y CA 1.877 60.048 58.100 0.118 0.000 1.164 217 Y CB 0.005 38.584 38.460 0.199 0.000 0.982 217 Y HN 0.090 nan 8.280 nan 0.000 0.515 218 E N 0.230 120.537 120.200 0.179 0.000 2.106 218 E HA -0.162 4.188 4.350 -0.000 0.000 0.192 218 E C 2.137 178.741 176.600 0.006 0.000 0.984 218 E CA 1.341 57.797 56.400 0.093 0.000 0.806 218 E CB -0.484 29.300 29.700 0.140 0.000 0.750 218 E HN 0.564 nan 8.360 nan 0.000 0.458 219 L N -0.361 120.891 121.223 0.048 0.000 2.046 219 L HA -0.193 4.147 4.340 -0.000 0.000 0.208 219 L C 2.403 179.174 176.870 -0.164 0.000 1.077 219 L CA 1.235 56.133 54.840 0.096 0.000 0.747 219 L CB -0.556 41.618 42.059 0.191 0.000 0.896 219 L HN 0.179 nan 8.230 nan 0.000 0.432 220 A N -0.018 122.485 122.820 -0.529 0.000 1.933 220 A HA -0.249 4.070 4.320 -0.000 0.000 0.218 220 A C 2.425 179.486 177.584 -0.871 0.000 1.175 220 A CA 1.850 53.077 52.037 -1.351 0.000 0.628 220 A CB -0.557 17.830 19.000 -1.022 0.000 0.814 220 A HN 0.399 nan 8.150 nan 0.000 0.444 221 R N -0.124 120.051 120.500 -0.542 0.000 2.073 221 R HA -0.107 4.233 4.340 -0.000 0.000 0.229 221 R C 2.235 178.405 176.300 -0.216 0.000 1.120 221 R CA 1.749 57.643 56.100 -0.342 0.000 0.967 221 R CB -0.288 29.879 30.300 -0.222 0.000 0.862 221 R HN 0.492 nan 8.270 nan 0.000 0.436 222 K N -0.527 119.782 120.400 -0.153 0.000 2.057 222 K HA -0.174 4.145 4.320 -0.000 0.000 0.207 222 K C 0.939 177.373 176.600 -0.277 0.000 1.049 222 K CA 1.601 57.789 56.287 -0.165 0.000 0.931 222 K CB -0.053 32.395 32.500 -0.087 0.000 0.714 222 K HN 0.267 nan 8.250 nan 0.000 0.440 223 Y N 0.632 120.861 120.300 -0.118 0.000 2.457 223 Y HA 0.140 4.690 4.550 -0.000 0.000 0.263 223 Y C -0.230 175.633 175.900 -0.060 0.000 1.164 223 Y CA -0.158 57.933 58.100 -0.015 0.000 1.274 223 Y CB 0.380 38.952 38.460 0.187 0.000 1.097 223 Y HN 0.144 nan 8.280 nan 0.000 0.523 224 D N 1.022 121.359 120.400 -0.105 0.000 2.737 224 D HA -0.222 4.418 4.640 -0.000 0.000 0.238 224 D C -0.871 175.516 176.300 0.145 0.000 1.157 224 D CA 0.744 54.714 54.000 -0.049 0.000 0.694 224 D CB -1.265 39.538 40.800 0.005 0.000 1.021 224 D HN 0.334 nan 8.370 nan 0.000 0.420 225 F N -1.591 118.419 119.950 0.100 0.000 2.594 225 F HA 0.716 5.242 4.527 -0.000 0.000 0.335 225 F C 0.081 175.848 175.800 -0.054 0.000 1.058 225 F CA -1.546 56.533 58.000 0.130 0.000 0.981 225 F CB 0.640 39.669 39.000 0.048 0.000 1.289 225 F HN -0.146 nan 8.300 nan 0.000 0.490 226 L N 1.848 123.174 121.223 0.172 0.000 2.399 226 L HA 0.452 4.791 4.340 -0.000 0.000 0.266 226 L C -0.398 176.586 176.870 0.189 0.000 1.114 226 L CA -0.655 54.174 54.840 -0.017 0.000 0.804 226 L CB 1.198 43.135 42.059 -0.203 0.000 1.146 226 L HN 0.557 nan 8.230 nan 0.000 0.451 227 I N 3.028 123.597 120.570 -0.001 0.000 2.339 227 I HA 0.317 4.487 4.170 -0.000 0.000 0.290 227 I C -0.291 175.769 176.117 -0.096 0.000 0.994 227 I CA -0.204 61.051 61.300 -0.075 0.000 1.191 227 I CB 1.463 39.256 38.000 -0.344 0.000 1.343 227 I HN 0.375 nan 8.210 nan 0.000 0.458 228 I N 6.214 126.739 120.570 -0.076 0.000 2.306 228 I HA 0.236 4.405 4.170 -0.000 0.000 0.288 228 I C 0.181 176.220 176.117 -0.130 0.000 1.036 228 I CA -0.334 60.901 61.300 -0.108 0.000 1.221 228 I CB 0.967 38.888 38.000 -0.132 0.000 1.385 228 I HN 0.623 nan 8.210 nan 0.000 0.472 229 E N 5.799 125.927 120.200 -0.120 0.000 1.993 229 E HA 0.096 4.446 4.350 -0.000 0.000 0.271 229 E C -0.927 175.585 176.600 -0.147 0.000 1.008 229 E CA -0.589 55.756 56.400 -0.093 0.000 0.814 229 E CB 0.662 30.377 29.700 0.025 0.000 1.098 229 E HN 0.438 nan 8.360 nan 0.000 0.407 230 D N 3.689 123.975 120.400 -0.191 0.000 2.347 230 D HA 0.105 4.745 4.640 -0.000 0.000 0.235 230 D C -0.968 175.240 176.300 -0.155 0.000 1.149 230 D CA -0.297 53.617 54.000 -0.143 0.000 0.850 230 D CB 0.984 41.768 40.800 -0.027 0.000 1.061 230 D HN 0.242 nan 8.370 nan 0.000 0.487 231 D N 4.500 124.787 120.400 -0.188 0.000 2.861 231 D HA 0.195 4.835 4.640 -0.000 0.000 0.357 231 D C -1.841 174.332 176.300 -0.213 0.000 1.250 231 D CA -1.488 52.411 54.000 -0.169 0.000 0.802 231 D CB 1.143 41.834 40.800 -0.182 0.000 1.141 231 D HN 0.266 nan 8.370 nan 0.000 0.489 232 P HA -0.062 nan 4.420 nan 0.000 0.237 232 P C 0.334 177.285 177.300 -0.582 0.000 1.178 232 P CA 0.484 63.303 63.100 -0.469 0.000 0.766 232 P CB 0.034 31.352 31.700 -0.636 0.000 0.876 233 Y N -2.869 117.389 120.300 -0.070 0.000 2.636 233 Y HA 0.182 4.732 4.550 -0.000 0.000 0.260 233 Y C 2.054 177.873 175.900 -0.134 0.000 1.177 233 Y CA -0.933 57.099 58.100 -0.113 0.000 1.209 233 Y CB -0.940 37.424 38.460 -0.160 0.000 1.166 233 Y HN -0.145 nan 8.280 nan 0.000 0.531 234 Y N -0.037 120.154 120.300 -0.181 0.000 2.207 234 Y HA -0.252 4.298 4.550 -0.001 0.000 0.287 234 Y C 0.999 176.691 175.900 -0.346 0.000 1.156 234 Y CA 1.643 59.552 58.100 -0.319 0.000 1.182 234 Y CB -0.398 37.753 38.460 -0.514 0.000 0.979 234 Y HN 0.110 nan 8.280 nan 0.000 0.521 235 F N -0.098 119.836 119.950 -0.026 0.000 2.731 235 F HA 0.199 4.726 4.527 -0.000 0.000 0.304 235 F C 0.494 176.192 175.800 -0.169 0.000 1.133 235 F CA 0.311 58.244 58.000 -0.112 0.000 1.380 235 F CB -0.029 39.004 39.000 0.055 0.000 1.079 235 F HN -0.007 nan 8.300 nan 0.000 0.550 236 L N 0.420 121.581 121.223 -0.104 0.000 3.186 236 L HA 0.264 4.603 4.340 -0.000 0.000 0.292 236 L C -0.227 176.324 176.870 -0.533 0.000 1.303 236 L CA 0.035 54.734 54.840 -0.234 0.000 0.940 236 L CB 0.176 42.123 42.059 -0.187 0.000 1.358 236 L HN 0.018 nan 8.230 nan 0.000 0.581 237 Q N -0.551 118.985 119.800 -0.440 0.000 2.256 237 Q HA 0.262 4.601 4.340 -0.000 0.000 0.254 237 Q C 0.105 175.883 176.000 -0.370 0.000 0.916 237 Q CA -0.413 55.110 55.803 -0.468 0.000 0.932 237 Q CB 1.569 30.109 28.738 -0.329 0.000 1.207 237 Q HN 0.201 nan 8.270 nan 0.000 0.426 238 F N -0.254 119.692 119.950 -0.006 0.000 2.664 238 F HA 0.025 4.551 4.527 -0.001 0.000 0.296 238 F C 1.066 176.872 175.800 0.009 0.000 1.125 238 F CA -0.119 57.886 58.000 0.009 0.000 1.444 238 F CB 0.052 39.062 39.000 0.017 0.000 1.114 238 F HN 0.433 nan 8.300 nan 0.000 0.576 239 N N 2.253 121.028 118.700 0.125 0.000 2.420 239 N HA -0.025 4.715 4.740 -0.000 0.000 0.262 239 N C 1.189 176.752 175.510 0.089 0.000 1.144 239 N CA 0.044 53.154 53.050 0.099 0.000 0.952 239 N CB 0.768 39.300 38.487 0.075 0.000 1.081 239 N HN 0.092 nan 8.380 nan 0.000 0.480 240 K N 2.738 123.218 120.400 0.134 0.000 2.360 240 K HA -0.109 4.211 4.320 -0.000 0.000 0.201 240 K C -0.079 176.699 176.600 0.296 0.000 1.046 240 K CA 0.971 57.360 56.287 0.170 0.000 0.940 240 K CB -0.337 32.277 32.500 0.190 0.000 0.748 240 K HN 0.312 nan 8.250 nan 0.000 0.465 241 F N 2.689 122.621 119.950 -0.031 0.000 2.332 241 F HA 0.332 4.859 4.527 -0.001 0.000 0.368 241 F C 0.444 176.206 175.800 -0.063 0.000 1.110 241 F CA -1.363 56.614 58.000 -0.040 0.000 1.087 241 F CB 0.992 39.978 39.000 -0.024 0.000 1.235 241 F HN -0.223 nan 8.300 nan 0.000 0.470 242 R N 2.155 122.563 120.500 -0.152 0.000 2.590 242 R HA 0.302 4.641 4.340 -0.000 0.000 0.274 242 R C -0.498 175.759 176.300 -0.072 0.000 1.061 242 R CA -0.523 55.466 56.100 -0.186 0.000 1.081 242 R CB 0.546 30.631 30.300 -0.358 0.000 0.984 242 R HN 0.297 nan 8.270 nan 0.000 0.448 243 V N 5.193 125.073 119.914 -0.058 0.000 2.655 243 V HA 0.038 4.158 4.120 -0.000 0.000 0.300 243 V C -1.725 174.369 176.094 -0.001 0.000 1.044 243 V CA -1.241 61.041 62.300 -0.030 0.000 1.095 243 V CB 0.470 32.257 31.823 -0.059 0.000 0.952 243 V HN 0.667 nan 8.190 nan 0.000 0.485 244 P HA 0.107 nan 4.420 nan 0.000 0.266 244 P C 0.089 177.331 177.300 -0.097 0.000 1.193 244 P CA 0.171 63.256 63.100 -0.025 0.000 0.770 244 P CB 0.220 31.887 31.700 -0.055 0.000 0.836 245 T N -1.167 113.331 114.554 -0.093 0.000 2.881 245 T HA 0.316 4.665 4.350 -0.000 0.000 0.278 245 T C 0.866 175.420 174.700 -0.244 0.000 0.982 245 T CA -0.360 61.608 62.100 -0.220 0.000 0.989 245 T CB 0.255 68.916 68.868 -0.345 0.000 1.058 245 T HN 0.048 nan 8.240 nan 0.000 0.529 246 F N -0.061 119.816 119.950 -0.123 0.000 2.216 246 F HA 0.070 4.596 4.527 -0.001 0.000 0.300 246 F C 2.126 177.841 175.800 -0.141 0.000 1.085 246 F CA 0.517 58.469 58.000 -0.081 0.000 1.326 246 F CB -0.773 38.234 39.000 0.011 0.000 1.027 246 F HN 0.413 nan 8.300 nan 0.000 0.497 247 L N 0.229 121.425 121.223 -0.044 0.000 2.083 247 L HA -0.178 4.161 4.340 -0.000 0.000 0.209 247 L C 2.581 179.371 176.870 -0.133 0.000 1.083 247 L CA 2.017 56.777 54.840 -0.133 0.000 0.752 247 L CB -1.057 40.818 42.059 -0.308 0.000 0.899 247 L HN 0.179 nan 8.230 nan 0.000 0.433 248 S N -0.329 115.289 115.700 -0.136 0.000 2.442 248 S HA -0.218 4.251 4.470 -0.000 0.000 0.236 248 S C 1.672 176.202 174.600 -0.117 0.000 1.007 248 S CA 1.247 59.401 58.200 -0.077 0.000 0.965 248 S CB -0.726 62.460 63.200 -0.023 0.000 0.773 248 S HN 0.686 nan 8.310 nan 0.000 0.504 249 M N -0.344 119.141 119.600 -0.191 0.000 2.405 249 M HA 0.433 4.913 4.480 -0.000 0.000 0.292 249 M C -0.211 175.776 176.300 -0.521 0.000 1.111 249 M CA -0.192 54.917 55.300 -0.320 0.000 0.979 249 M CB -0.020 32.361 32.600 -0.365 0.000 1.426 249 M HN -0.110 nan 8.290 nan 0.000 0.509 250 D N 2.190 122.425 120.400 -0.275 0.000 2.600 250 D HA 0.143 4.783 4.640 -0.000 0.000 0.226 250 D C 1.066 177.406 176.300 0.067 0.000 1.119 250 D CA -0.014 53.947 54.000 -0.065 0.000 1.051 250 D CB 0.468 41.311 40.800 0.071 0.000 1.106 250 D HN 0.159 nan 8.370 nan 0.000 0.491 251 V N 1.663 121.633 119.914 0.094 0.000 2.626 251 V HA -0.156 3.963 4.120 -0.000 0.000 0.252 251 V C 1.456 177.764 176.094 0.356 0.000 1.067 251 V CA 1.359 63.794 62.300 0.225 0.000 1.081 251 V CB -0.164 31.767 31.823 0.180 0.000 0.686 251 V HN 0.387 nan 8.190 nan 0.000 0.468 252 D N 0.088 120.704 120.400 0.361 0.000 2.350 252 D HA 0.171 4.811 4.640 -0.000 0.000 0.213 252 D C 1.700 178.161 176.300 0.269 0.000 1.031 252 D CA 0.973 55.132 54.000 0.265 0.000 0.861 252 D CB 0.252 41.143 40.800 0.152 0.000 0.926 252 D HN 0.487 nan 8.370 nan 0.000 0.520 253 G N 2.479 111.453 108.800 0.291 0.000 2.295 253 G HA2 -0.345 3.614 3.960 -0.000 0.000 0.287 253 G HA3 -0.345 3.614 3.960 -0.000 0.000 0.287 253 G C 0.741 175.783 174.900 0.236 0.000 1.055 253 G CA 0.503 45.759 45.100 0.260 0.000 0.922 253 G HN 0.514 nan 8.290 nan 0.000 0.503 254 R N -1.630 118.954 120.500 0.141 0.000 2.509 254 R HA 0.504 4.844 4.340 -0.000 0.000 0.300 254 R C 0.004 176.294 176.300 -0.017 0.000 0.985 254 R CA -0.304 55.807 56.100 0.018 0.000 1.092 254 R CB 0.698 30.930 30.300 -0.112 0.000 1.237 254 R HN 0.272 nan 8.270 nan 0.000 0.546 255 V N 2.534 122.468 119.914 0.034 0.000 2.398 255 V HA 0.409 4.529 4.120 -0.000 0.000 0.286 255 V C -0.140 175.921 176.094 -0.054 0.000 1.026 255 V CA -0.721 61.577 62.300 -0.003 0.000 0.868 255 V CB 1.776 33.637 31.823 0.064 0.000 0.982 255 V HN 0.207 nan 8.190 nan 0.000 0.443 256 I N 5.415 125.930 120.570 -0.092 0.000 2.354 256 I HA 0.573 4.743 4.170 -0.000 0.000 0.292 256 I C 0.100 176.137 176.117 -0.133 0.000 0.989 256 I CA -0.473 60.757 61.300 -0.118 0.000 1.188 256 I CB 1.417 39.334 38.000 -0.138 0.000 1.342 256 I HN 0.522 nan 8.210 nan 0.000 0.457 257 R N 5.152 125.561 120.500 -0.152 0.000 2.494 257 R HA 0.776 5.116 4.340 -0.000 0.000 0.305 257 R C -1.192 174.965 176.300 -0.239 0.000 0.959 257 R CA -0.543 55.439 56.100 -0.198 0.000 0.864 257 R CB 1.764 31.920 30.300 -0.241 0.000 1.159 257 R HN 0.763 nan 8.270 nan 0.000 0.446 258 A N 4.380 127.043 122.820 -0.261 0.000 2.271 258 A HA 0.362 4.681 4.320 -0.000 0.000 0.317 258 A C -0.954 176.375 177.584 -0.425 0.000 1.245 258 A CA -0.681 51.169 52.037 -0.312 0.000 0.857 258 A CB 0.785 19.646 19.000 -0.232 0.000 1.175 258 A HN 0.778 nan 8.150 nan 0.000 0.512 259 D N 0.916 120.900 120.400 -0.693 0.000 2.228 259 D HA 0.533 5.172 4.640 -0.000 0.000 0.247 259 D C -0.711 175.186 176.300 -0.671 0.000 0.995 259 D CA 0.103 53.612 54.000 -0.819 0.000 0.903 259 D CB 2.083 42.025 40.800 -1.431 0.000 1.205 259 D HN 0.413 nan 8.370 nan 0.000 0.459 260 S N 0.840 116.300 115.700 -0.401 0.000 2.532 260 S HA 0.323 4.793 4.470 -0.000 0.000 0.299 260 S C -0.077 174.468 174.600 -0.093 0.000 1.105 260 S CA -0.609 57.461 58.200 -0.216 0.000 1.018 260 S CB 0.452 63.556 63.200 -0.160 0.000 1.021 260 S HN 0.252 nan 8.310 nan 0.000 0.483 261 F N 2.179 122.232 119.950 0.173 0.000 2.797 261 F HA 0.278 4.805 4.527 -0.000 0.000 0.302 261 F C 1.719 177.601 175.800 0.138 0.000 1.130 261 F CA -0.055 58.066 58.000 0.202 0.000 1.387 261 F CB -0.291 38.823 39.000 0.189 0.000 1.107 261 F HN 0.378 nan 8.300 nan 0.000 0.577 265 I N -0.472 120.305 120.570 0.345 0.000 3.673 265 I HA 0.274 4.443 4.170 -0.000 0.000 0.281 265 I C 0.637 176.821 176.117 0.113 0.000 1.182 265 I CA 0.709 62.130 61.300 0.201 0.000 1.391 265 I CB 0.709 38.745 38.000 0.060 0.000 1.383 265 I HN 0.171 nan 8.210 nan 0.000 0.456 266 S N -0.029 115.757 115.700 0.143 0.000 2.605 266 S HA 0.135 4.605 4.470 -0.000 0.000 0.324 266 S C 0.632 175.307 174.600 0.124 0.000 0.978 266 S CA 0.192 58.453 58.200 0.101 0.000 0.864 266 S CB 0.634 63.858 63.200 0.040 0.000 1.095 266 S HN 0.261 nan 8.310 nan 0.000 0.460 267 S N 3.315 119.081 115.700 0.111 0.000 2.395 267 S HA 0.126 4.596 4.470 -0.000 0.000 0.225 267 S C 1.909 176.557 174.600 0.080 0.000 1.027 267 S CA 0.974 59.236 58.200 0.102 0.000 0.965 267 S CB -0.685 62.574 63.200 0.098 0.000 0.812 267 S HN 1.156 nan 8.310 nan 0.000 0.482 268 G N 1.149 109.986 108.800 0.062 0.000 2.744 268 G HA2 0.198 4.158 3.960 -0.000 0.000 0.211 268 G HA3 0.198 4.158 3.960 -0.000 0.000 0.211 268 G C 1.211 176.132 174.900 0.034 0.000 1.143 268 G CA 0.131 45.256 45.100 0.042 0.000 0.788 268 G HN 0.502 nan 8.290 nan 0.000 0.534 269 L N -0.650 120.599 121.223 0.043 0.000 2.418 269 L HA 0.185 4.525 4.340 -0.000 0.000 0.218 269 L C 0.852 177.758 176.870 0.059 0.000 1.125 269 L CA -0.249 54.615 54.840 0.040 0.000 0.835 269 L CB 0.012 42.087 42.059 0.027 0.000 0.953 269 L HN 0.083 nan 8.230 nan 0.000 0.454 270 R N 1.102 121.647 120.500 0.076 0.000 3.201 270 R HA -0.125 4.215 4.340 -0.000 0.000 0.254 270 R C -0.945 175.422 176.300 0.112 0.000 0.978 270 R CA 0.561 56.709 56.100 0.080 0.000 0.661 270 R CB -2.285 28.043 30.300 0.048 0.000 1.170 270 R HN 0.209 nan 8.270 nan 0.000 0.430 271 I N -0.345 120.331 120.570 0.178 0.000 2.478 271 I HA 0.617 4.787 4.170 -0.000 0.000 0.287 271 I C 0.978 177.340 176.117 0.408 0.000 1.042 271 I CA -0.297 61.165 61.300 0.270 0.000 1.067 271 I CB 2.013 40.167 38.000 0.257 0.000 1.233 271 I HN 0.356 nan 8.210 nan 0.000 0.431 272 G N 5.473 114.459 108.800 0.310 0.000 2.870 272 G HA2 0.873 4.833 3.960 -0.000 0.000 0.299 272 G HA3 0.873 4.833 3.960 -0.000 0.000 0.299 272 G C -1.666 173.410 174.900 0.294 0.000 1.324 272 G CA -0.563 44.651 45.100 0.191 0.000 0.808 272 G HN 0.518 nan 8.290 nan 0.000 0.535 273 F N -2.334 117.566 119.950 -0.083 0.000 2.719 273 F HA 0.803 5.329 4.527 -0.000 0.000 0.309 273 F C -2.116 173.633 175.800 -0.085 0.000 1.138 273 F CA -1.358 56.607 58.000 -0.058 0.000 0.943 273 F CB 1.799 40.781 39.000 -0.030 0.000 1.304 273 F HN 0.588 nan 8.300 nan 0.000 0.445 274 L N 1.811 123.080 121.223 0.076 0.000 2.385 274 L HA 0.822 5.162 4.340 -0.000 0.000 0.273 274 L C -0.960 175.933 176.870 0.039 0.000 0.990 274 L CA -0.022 54.791 54.840 -0.044 0.000 0.821 274 L CB 2.319 44.348 42.059 -0.050 0.000 1.279 274 L HN 0.869 nan 8.230 nan 0.000 0.412 275 T N 3.249 117.788 114.554 -0.024 0.000 2.841 275 T HA 0.954 5.304 4.350 -0.000 0.000 0.283 275 T C -0.160 174.500 174.700 -0.066 0.000 1.000 275 T CA -0.222 61.874 62.100 -0.006 0.000 0.977 275 T CB 1.661 70.525 68.868 -0.007 0.000 0.979 275 T HN 0.988 nan 8.240 nan 0.000 0.446 276 G N 2.380 111.139 108.800 -0.069 0.000 2.321 276 G HA2 0.485 4.445 3.960 -0.000 0.000 0.296 276 G HA3 0.485 4.445 3.960 -0.000 0.000 0.296 276 G C -3.409 171.426 174.900 -0.109 0.000 1.287 276 G CA -0.956 44.087 45.100 -0.094 0.000 0.846 276 G HN 0.451 nan 8.290 nan 0.000 0.508 277 P HA 0.151 nan 4.420 nan 0.000 0.262 277 P C 0.813 177.971 177.300 -0.237 0.000 1.199 277 P CA 0.117 63.081 63.100 -0.227 0.000 0.763 277 P CB 1.094 32.484 31.700 -0.516 0.000 0.790 278 K N 6.056 126.371 120.400 -0.141 0.000 2.107 278 K HA -0.212 4.108 4.320 -0.000 0.000 0.211 278 K C -0.909 175.616 176.600 -0.125 0.000 1.049 278 K CA 2.259 58.487 56.287 -0.099 0.000 0.927 278 K CB -1.210 31.264 32.500 -0.043 0.000 0.714 278 K HN 0.394 nan 8.250 nan 0.000 0.452 279 P HA -0.122 nan 4.420 nan 0.000 0.218 279 P C 0.992 178.200 177.300 -0.153 0.000 1.149 279 P CA 1.119 64.134 63.100 -0.141 0.000 0.817 279 P CB 0.091 31.714 31.700 -0.129 0.000 0.785 280 L N -1.533 119.532 121.223 -0.264 0.000 2.095 280 L HA -0.062 4.278 4.340 -0.000 0.000 0.204 280 L C 2.221 179.034 176.870 -0.095 0.000 1.080 280 L CA 0.850 55.593 54.840 -0.162 0.000 0.759 280 L CB -0.777 41.154 42.059 -0.213 0.000 0.914 280 L HN -0.093 nan 8.230 nan 0.000 0.439 281 I N 0.565 121.070 120.570 -0.108 0.000 2.264 281 I HA -0.289 3.880 4.170 -0.000 0.000 0.248 281 I C 2.634 178.732 176.117 -0.031 0.000 1.111 281 I CA 1.514 62.778 61.300 -0.061 0.000 1.382 281 I CB -1.077 36.890 38.000 -0.055 0.000 1.060 281 I HN 0.499 nan 8.210 nan 0.000 0.418 282 E N 1.293 121.473 120.200 -0.034 0.000 2.085 282 E HA -0.263 4.087 4.350 -0.000 0.000 0.194 282 E C 2.190 178.795 176.600 0.008 0.000 0.994 282 E CA 1.246 57.640 56.400 -0.010 0.000 0.801 282 E CB -0.049 29.644 29.700 -0.011 0.000 0.743 282 E HN 0.306 nan 8.360 nan 0.000 0.453 283 R N 0.482 120.986 120.500 0.007 0.000 2.096 283 R HA -0.071 4.268 4.340 -0.000 0.000 0.235 283 R C 2.518 178.854 176.300 0.059 0.000 1.127 283 R CA 0.999 57.117 56.100 0.031 0.000 0.968 283 R CB -0.987 29.333 30.300 0.033 0.000 0.861 283 R HN 0.213 nan 8.270 nan 0.000 0.440 284 V N 1.377 121.315 119.914 0.040 0.000 2.307 284 V HA -0.205 3.915 4.120 -0.000 0.000 0.245 284 V C 2.402 178.529 176.094 0.055 0.000 1.045 284 V CA 1.540 63.868 62.300 0.047 0.000 1.024 284 V CB -0.401 31.419 31.823 -0.004 0.000 0.651 284 V HN 0.166 nan 8.190 nan 0.000 0.449 285 I N -0.374 120.218 120.570 0.037 0.000 2.208 285 I HA -0.276 3.894 4.170 -0.000 0.000 0.245 285 I C 2.241 178.393 176.117 0.058 0.000 1.097 285 I CA 1.646 62.969 61.300 0.040 0.000 1.363 285 I CB -0.285 37.732 38.000 0.028 0.000 1.051 285 I HN 0.257 nan 8.210 nan 0.000 0.413 286 L N -0.765 120.497 121.223 0.065 0.000 2.156 286 L HA -0.209 4.131 4.340 -0.000 0.000 0.208 286 L C 2.578 179.516 176.870 0.113 0.000 1.095 286 L CA 1.238 56.117 54.840 0.065 0.000 0.770 286 L CB -0.848 41.236 42.059 0.041 0.000 0.914 286 L HN 0.356 nan 8.230 nan 0.000 0.439 287 H N 0.364 119.437 119.070 0.006 0.000 2.353 287 H HA -0.142 4.414 4.556 -0.001 0.000 0.300 287 H C 2.443 177.775 175.328 0.006 0.000 1.090 287 H CA 1.325 57.376 56.048 0.006 0.000 1.327 287 H CB 0.270 30.034 29.762 0.004 0.000 1.383 287 H HN 0.215 nan 8.280 nan 0.000 0.508 288 I N 0.849 121.467 120.570 0.079 0.000 2.226 288 I HA -0.299 3.871 4.170 -0.000 0.000 0.245 288 I C 2.325 178.466 176.117 0.040 0.000 1.100 288 I CA 1.287 62.593 61.300 0.010 0.000 1.374 288 I CB -0.268 37.739 38.000 0.011 0.000 1.057 288 I HN 0.433 nan 8.210 nan 0.000 0.413 289 Q N 0.017 119.852 119.800 0.057 0.000 2.297 289 Q HA -0.152 4.188 4.340 -0.000 0.000 0.208 289 Q C 1.767 177.791 176.000 0.040 0.000 0.981 289 Q CA 1.571 57.401 55.803 0.046 0.000 0.876 289 Q CB -0.047 28.714 28.738 0.038 0.000 0.921 289 Q HN 0.625 nan 8.270 nan 0.000 0.446 290 V N -3.360 116.594 119.914 0.066 0.000 3.319 290 V HA 0.221 4.340 4.120 -0.000 0.000 0.317 290 V C 0.934 177.070 176.094 0.069 0.000 1.411 290 V CA 0.482 62.820 62.300 0.063 0.000 1.112 290 V CB 0.310 32.173 31.823 0.067 0.000 1.031 290 V HN 0.219 nan 8.190 nan 0.000 0.448 291 S N 0.860 116.589 115.700 0.048 0.000 3.420 291 S HA 0.060 4.530 4.470 -0.000 0.000 0.173 291 S C 1.698 176.291 174.600 -0.011 0.000 0.800 291 S CA 0.880 59.090 58.200 0.016 0.000 0.963 291 S CB -0.001 63.186 63.200 -0.021 0.000 1.236 291 S HN 0.576 nan 8.310 nan 0.000 0.827 292 T N 0.765 115.296 114.554 -0.037 0.000 3.035 292 T HA 0.275 4.625 4.350 -0.000 0.000 0.268 292 T C 1.403 176.051 174.700 -0.087 0.000 1.109 292 T CA 0.978 63.041 62.100 -0.061 0.000 1.119 292 T CB -0.893 67.933 68.868 -0.070 0.000 0.900 292 T HN 0.607 nan 8.240 nan 0.000 0.503 293 L N -0.787 120.419 121.223 -0.028 0.000 3.417 293 L HA -0.299 4.041 4.340 -0.000 0.000 0.368 293 L C 0.461 177.398 176.870 0.111 0.000 0.810 293 L CA 2.164 57.021 54.840 0.028 0.000 3.108 293 L CB -1.982 40.112 42.059 0.059 0.000 0.687 293 L HN 0.908 nan 8.230 nan 0.000 0.756 294 H N -3.959 115.151 119.070 0.066 0.000 2.969 294 H HA 0.644 5.199 4.556 -0.000 0.000 0.304 294 H C -3.154 172.208 175.328 0.056 0.000 1.400 294 H CA -1.465 54.619 56.048 0.060 0.000 1.182 294 H CB 0.728 30.535 29.762 0.076 0.000 1.865 294 H HN -0.208 nan 8.280 nan 0.000 0.512 295 P HA 0.163 nan 4.420 nan 0.000 0.276 295 P C -0.111 177.336 177.300 0.244 0.000 1.252 295 P CA -0.643 62.531 63.100 0.122 0.000 0.802 295 P CB 0.942 32.718 31.700 0.127 0.000 1.035 296 S N 0.180 115.958 115.700 0.129 0.000 2.784 296 S HA -0.049 4.421 4.470 -0.000 0.000 0.322 296 S C 1.131 175.851 174.600 0.200 0.000 1.234 296 S CA 0.435 58.728 58.200 0.155 0.000 1.064 296 S CB -0.743 62.515 63.200 0.098 0.000 0.787 296 S HN 0.429 nan 8.310 nan 0.000 0.506 297 T N 6.401 121.084 114.554 0.215 0.000 2.777 297 T HA -0.079 4.271 4.350 -0.000 0.000 0.266 297 T C 1.254 175.992 174.700 0.063 0.000 1.040 297 T CA 1.466 63.616 62.100 0.083 0.000 1.141 297 T CB -0.499 68.375 68.868 0.009 0.000 0.868 297 T HN 0.730 nan 8.240 nan 0.000 0.444 298 F N 3.035 122.981 119.950 -0.007 0.000 2.043 298 F HA -0.254 4.273 4.527 -0.001 0.000 0.297 298 F C 2.141 177.992 175.800 0.086 0.000 1.121 298 F CA 1.566 59.600 58.000 0.057 0.000 1.199 298 F CB -0.297 38.721 39.000 0.032 0.000 0.968 298 F HN 0.057 nan 8.300 nan 0.000 0.478 299 N N 0.201 119.084 118.700 0.305 0.000 2.166 299 N HA -0.178 4.561 4.740 -0.000 0.000 0.186 299 N C 1.769 177.295 175.510 0.027 0.000 1.019 299 N CA 1.468 54.613 53.050 0.159 0.000 0.856 299 N CB -0.629 37.930 38.487 0.120 0.000 0.993 299 N HN 0.519 nan 8.380 nan 0.000 0.426 300 Q N 0.243 120.059 119.800 0.026 0.000 2.084 300 Q HA 0.006 4.346 4.340 -0.000 0.000 0.202 300 Q C 2.137 178.083 176.000 -0.091 0.000 0.978 300 Q CA 0.809 56.594 55.803 -0.030 0.000 0.844 300 Q CB -0.139 28.598 28.738 -0.000 0.000 0.898 300 Q HN 0.354 nan 8.270 nan 0.000 0.426 301 L N -0.046 121.118 121.223 -0.099 0.000 2.083 301 L HA -0.217 4.123 4.340 -0.000 0.000 0.209 301 L C 2.444 179.292 176.870 -0.036 0.000 1.083 301 L CA 1.037 55.792 54.840 -0.141 0.000 0.752 301 L CB -0.309 41.542 42.059 -0.347 0.000 0.899 301 L HN 0.340 nan 8.230 nan 0.000 0.433 302 M N -0.669 118.930 119.600 -0.001 0.000 2.086 302 M HA -0.246 4.234 4.480 -0.000 0.000 0.261 302 M C 2.278 178.431 176.300 -0.244 0.000 1.067 302 M CA 1.911 57.129 55.300 -0.136 0.000 1.116 302 M CB -0.426 32.059 32.600 -0.193 0.000 1.348 302 M HN 0.170 nan 8.290 nan 0.000 0.407 303 I N -0.806 119.605 120.570 -0.264 0.000 2.252 303 I HA -0.260 3.910 4.170 -0.000 0.000 0.245 303 I C 2.747 178.607 176.117 -0.428 0.000 1.102 303 I CA 1.034 62.089 61.300 -0.409 0.000 1.385 303 I CB -0.386 37.329 38.000 -0.475 0.000 1.064 303 I HN 0.291 nan 8.210 nan 0.000 0.414 304 S N 0.126 115.648 115.700 -0.297 0.000 2.359 304 S HA -0.256 4.214 4.470 -0.000 0.000 0.224 304 S C 2.030 176.507 174.600 -0.204 0.000 1.035 304 S CA 1.599 59.663 58.200 -0.227 0.000 1.018 304 S CB -0.148 62.958 63.200 -0.158 0.000 0.876 304 S HN 0.410 nan 8.310 nan 0.000 0.448 305 Q N -0.166 119.496 119.800 -0.230 0.000 2.084 305 Q HA -0.136 4.204 4.340 -0.000 0.000 0.202 305 Q C 2.244 178.065 176.000 -0.299 0.000 0.978 305 Q CA 1.509 57.183 55.803 -0.215 0.000 0.844 305 Q CB -0.324 28.321 28.738 -0.155 0.000 0.898 305 Q HN 0.476 nan 8.270 nan 0.000 0.426 306 L N 0.643 121.602 121.223 -0.440 0.000 1.989 306 L HA -0.211 4.129 4.340 -0.000 0.000 0.211 306 L C 2.001 178.436 176.870 -0.725 0.000 1.071 306 L CA 1.718 56.142 54.840 -0.693 0.000 0.749 306 L CB -0.399 41.173 42.059 -0.811 0.000 0.890 306 L HN 0.183 nan 8.230 nan 0.000 0.431 307 L N -1.651 119.155 121.223 -0.696 0.000 2.109 307 L HA -0.174 4.165 4.340 -0.000 0.000 0.207 307 L C 2.594 179.073 176.870 -0.652 0.000 1.086 307 L CA 0.887 55.197 54.840 -0.883 0.000 0.760 307 L CB -0.898 40.095 42.059 -1.777 0.000 0.910 307 L HN 0.415 nan 8.230 nan 0.000 0.437 308 H N -0.675 118.080 119.070 -0.525 0.000 2.363 308 H HA -0.135 4.421 4.556 -0.000 0.000 0.301 308 H C 2.114 177.441 175.328 -0.002 0.000 1.074 308 H CA 1.323 57.279 56.048 -0.153 0.000 1.354 308 H CB 0.360 30.052 29.762 -0.116 0.000 1.397 308 H HN 0.224 nan 8.280 nan 0.000 0.516 309 E N 0.662 120.880 120.200 0.030 0.000 2.077 309 E HA -0.165 4.184 4.350 -0.000 0.000 0.193 309 E C 1.948 178.660 176.600 0.186 0.000 0.989 309 E CA 0.939 57.365 56.400 0.044 0.000 0.800 309 E CB -0.279 29.378 29.700 -0.071 0.000 0.746 309 E HN 0.359 nan 8.360 nan 0.000 0.452 310 W N 0.657 121.965 121.300 0.013 0.000 2.436 310 W HA 0.259 4.919 4.660 -0.001 0.000 0.284 310 W C 1.226 177.833 176.519 0.146 0.000 1.225 310 W CA 1.573 58.959 57.345 0.069 0.000 1.271 310 W CB -0.967 28.541 29.460 0.081 0.000 1.114 310 W HN 0.257 nan 8.180 nan 0.000 0.559 311 G N 0.355 109.428 108.800 0.456 0.000 2.894 311 G HA2 -0.351 3.609 3.960 -0.000 0.000 0.247 311 G HA3 -0.351 3.609 3.960 -0.000 0.000 0.247 311 G C 0.630 175.838 174.900 0.513 0.000 1.442 311 G CA 0.155 45.520 45.100 0.443 0.000 0.897 311 G HN 0.270 nan 8.290 nan 0.000 0.550 312 E N -0.066 120.327 120.200 0.322 0.000 2.160 312 E HA -0.126 4.224 4.350 -0.000 0.000 0.195 312 E C 2.349 179.101 176.600 0.255 0.000 0.991 312 E CA 1.511 58.061 56.400 0.250 0.000 0.810 312 E CB 0.001 29.696 29.700 -0.009 0.000 0.742 312 E HN 0.533 nan 8.360 nan 0.000 0.466 313 E N -0.253 120.047 120.200 0.167 0.000 2.046 313 E HA -0.094 4.256 4.350 -0.000 0.000 0.190 313 E C 2.274 178.888 176.600 0.022 0.000 0.982 313 E CA 1.078 57.529 56.400 0.086 0.000 0.800 313 E CB -0.450 29.284 29.700 0.057 0.000 0.756 313 E HN 0.348 nan 8.360 nan 0.000 0.449 314 G N 0.620 109.436 108.800 0.026 0.000 2.422 314 G HA2 -0.261 3.699 3.960 -0.000 0.000 0.218 314 G HA3 -0.261 3.699 3.960 -0.000 0.000 0.218 314 G C 1.484 176.059 174.900 -0.542 0.000 1.146 314 G CA 0.511 45.447 45.100 -0.274 0.000 0.769 314 G HN 0.216 nan 8.290 nan 0.000 0.547 315 F N 1.191 121.046 119.950 -0.159 0.000 2.075 315 F HA -0.050 4.476 4.527 -0.001 0.000 0.297 315 F C 2.662 178.404 175.800 -0.098 0.000 1.113 315 F CA 1.570 59.549 58.000 -0.035 0.000 1.218 315 F CB -0.047 39.180 39.000 0.379 0.000 0.984 315 F HN -0.009 nan 8.300 nan 0.000 0.472 316 M N 0.428 119.996 119.600 -0.053 0.000 2.213 316 M HA -0.135 4.345 4.480 -0.000 0.000 0.263 316 M C 2.470 178.642 176.300 -0.213 0.000 1.062 316 M CA 1.541 56.749 55.300 -0.153 0.000 1.105 316 M CB -2.046 30.561 32.600 0.010 0.000 1.385 316 M HN 0.357 nan 8.290 nan 0.000 0.417 317 A N -0.820 121.872 122.820 -0.214 0.000 1.902 317 A HA -0.221 4.098 4.320 -0.000 0.000 0.217 317 A C 2.021 179.438 177.584 -0.278 0.000 1.181 317 A CA 2.174 54.084 52.037 -0.212 0.000 0.623 317 A CB -1.098 17.783 19.000 -0.198 0.000 0.818 317 A HN 0.601 nan 8.150 nan 0.000 0.443 318 H N -0.332 118.401 119.070 -0.561 0.000 2.353 318 H HA -0.079 4.477 4.556 -0.000 0.000 0.300 318 H C 1.745 176.870 175.328 -0.338 0.000 1.090 318 H CA 2.008 57.743 56.048 -0.521 0.000 1.327 318 H CB -0.293 28.950 29.762 -0.864 0.000 1.383 318 H HN 0.107 nan 8.280 nan 0.000 0.508 319 V N 0.925 120.503 119.914 -0.560 0.000 2.343 319 V HA -0.256 3.864 4.120 -0.000 0.000 0.247 319 V C 2.215 178.151 176.094 -0.263 0.000 1.051 319 V CA 2.174 64.188 62.300 -0.476 0.000 1.036 319 V CB -0.456 31.096 31.823 -0.453 0.000 0.654 319 V HN 0.578 nan 8.190 nan 0.000 0.451 320 D N -0.270 120.010 120.400 -0.201 0.000 2.104 320 D HA -0.188 4.452 4.640 -0.000 0.000 0.194 320 D C 2.405 178.670 176.300 -0.058 0.000 0.994 320 D CA 1.374 55.318 54.000 -0.094 0.000 0.830 320 D CB -0.070 40.685 40.800 -0.076 0.000 0.959 320 D HN 0.417 nan 8.370 nan 0.000 0.452 321 R N 0.358 120.795 120.500 -0.104 0.000 2.105 321 R HA -0.108 4.232 4.340 -0.000 0.000 0.239 321 R C 2.472 178.784 176.300 0.019 0.000 1.135 321 R CA 0.701 56.773 56.100 -0.046 0.000 0.967 321 R CB -0.313 29.947 30.300 -0.067 0.000 0.861 321 R HN 0.117 nan 8.270 nan 0.000 0.442 322 V N 1.405 121.281 119.914 -0.064 0.000 2.307 322 V HA -0.217 3.903 4.120 -0.000 0.000 0.245 322 V C 2.295 178.611 176.094 0.369 0.000 1.045 322 V CA 1.624 64.007 62.300 0.139 0.000 1.024 322 V CB -0.407 31.413 31.823 -0.006 0.000 0.651 322 V HN 0.250 nan 8.190 nan 0.000 0.449 323 I N 0.308 121.006 120.570 0.213 0.000 2.118 323 I HA -0.280 3.889 4.170 -0.000 0.000 0.241 323 I C 2.384 178.690 176.117 0.315 0.000 1.070 323 I CA 1.858 63.331 61.300 0.289 0.000 1.327 323 I CB -0.625 37.468 38.000 0.155 0.000 1.034 323 I HN 0.327 nan 8.210 nan 0.000 0.405 324 D N 0.682 121.197 120.400 0.191 0.000 2.104 324 D HA -0.233 4.406 4.640 -0.000 0.000 0.194 324 D C 1.942 178.318 176.300 0.126 0.000 0.994 324 D CA 1.406 55.482 54.000 0.126 0.000 0.830 324 D CB -0.539 40.312 40.800 0.085 0.000 0.959 324 D HN 0.280 nan 8.370 nan 0.000 0.452 325 F N 0.712 120.698 119.950 0.060 0.000 2.065 325 F HA -0.301 4.225 4.527 -0.000 0.000 0.298 325 F C 2.254 178.052 175.800 -0.003 0.000 1.112 325 F CA 1.535 59.534 58.000 -0.002 0.000 1.212 325 F CB -0.650 38.316 39.000 -0.056 0.000 0.975 325 F HN -0.049 nan 8.300 nan 0.000 0.476 326 Y N -0.554 119.778 120.300 0.053 0.000 2.293 326 Y HA -0.168 4.382 4.550 -0.001 0.000 0.291 326 Y C 2.988 178.802 175.900 -0.144 0.000 1.137 326 Y CA 1.623 59.761 58.100 0.063 0.000 1.202 326 Y CB -0.930 37.814 38.460 0.474 0.000 0.990 326 Y HN 0.136 nan 8.280 nan 0.000 0.537 327 S N -0.093 115.589 115.700 -0.029 0.000 2.383 327 S HA -0.192 4.278 4.470 -0.000 0.000 0.227 327 S C 1.712 176.061 174.600 -0.418 0.000 1.026 327 S CA 1.606 59.553 58.200 -0.422 0.000 0.981 327 S CB -0.425 62.687 63.200 -0.146 0.000 0.818 327 S HN 0.589 nan 8.310 nan 0.000 0.472 328 N N 0.090 118.592 118.700 -0.330 0.000 2.244 328 N HA -0.051 4.689 4.740 -0.000 0.000 0.183 328 N C 1.951 177.215 175.510 -0.411 0.000 1.016 328 N CA 0.852 53.703 53.050 -0.331 0.000 0.866 328 N CB -0.001 38.326 38.487 -0.267 0.000 0.980 328 N HN 0.372 nan 8.380 nan 0.000 0.430 329 Q N 1.165 120.654 119.800 -0.519 0.000 2.119 329 Q HA -0.151 4.188 4.340 -0.000 0.000 0.201 329 Q C 1.906 177.549 176.000 -0.595 0.000 0.972 329 Q CA 1.035 56.583 55.803 -0.426 0.000 0.847 329 Q CB -0.188 28.386 28.738 -0.273 0.000 0.903 329 Q HN 0.415 nan 8.270 nan 0.000 0.433 330 K N 0.989 120.847 120.400 -0.904 0.000 1.991 330 K HA -0.195 4.125 4.320 -0.000 0.000 0.212 330 K C 1.448 177.639 176.600 -0.681 0.000 1.049 330 K CA 1.749 57.296 56.287 -1.233 0.000 0.932 330 K CB 0.007 31.781 32.500 -1.210 0.000 0.717 330 K HN 0.022 nan 8.250 nan 0.000 0.441 331 D N 0.611 120.717 120.400 -0.490 0.000 2.133 331 D HA -0.216 4.424 4.640 -0.000 0.000 0.192 331 D C 1.877 178.012 176.300 -0.275 0.000 1.001 331 D CA 1.678 55.487 54.000 -0.318 0.000 0.844 331 D CB -0.439 40.212 40.800 -0.249 0.000 0.944 331 D HN 0.440 nan 8.370 nan 0.000 0.447 332 A N 0.945 123.600 122.820 -0.275 0.000 1.883 332 A HA -0.162 4.158 4.320 -0.000 0.000 0.217 332 A C 2.366 179.824 177.584 -0.209 0.000 1.186 332 A CA 1.068 52.985 52.037 -0.200 0.000 0.624 332 A CB -0.790 18.114 19.000 -0.160 0.000 0.822 332 A HN 0.286 nan 8.150 nan 0.000 0.444 333 I N -0.632 119.778 120.570 -0.265 0.000 2.546 333 I HA -0.142 4.028 4.170 -0.000 0.000 0.255 333 I C 2.071 177.940 176.117 -0.412 0.000 1.163 333 I CA 0.704 61.858 61.300 -0.243 0.000 1.457 333 I CB -0.024 37.925 38.000 -0.085 0.000 1.092 333 I HN 0.325 nan 8.210 nan 0.000 0.434 334 L N 0.310 121.318 121.223 -0.359 0.000 2.056 334 L HA -0.145 4.195 4.340 -0.000 0.000 0.207 334 L C 2.798 179.513 176.870 -0.259 0.000 1.078 334 L CA 1.197 55.855 54.840 -0.303 0.000 0.749 334 L CB -0.780 41.183 42.059 -0.159 0.000 0.901 334 L HN 0.240 nan 8.230 nan 0.000 0.433 335 A N 0.258 122.949 122.820 -0.216 0.000 1.877 335 A HA -0.202 4.117 4.320 -0.000 0.000 0.216 335 A C 2.548 180.003 177.584 -0.215 0.000 1.186 335 A CA 1.833 53.770 52.037 -0.168 0.000 0.620 335 A CB -0.806 18.116 19.000 -0.130 0.000 0.822 335 A HN 0.391 nan 8.150 nan 0.000 0.443 336 A N -0.175 122.485 122.820 -0.267 0.000 1.908 336 A HA 0.091 4.410 4.320 -0.000 0.000 0.218 336 A C 2.509 179.768 177.584 -0.542 0.000 1.181 336 A CA 2.351 54.225 52.037 -0.271 0.000 0.627 336 A CB -1.051 17.811 19.000 -0.230 0.000 0.818 336 A HN 1.118 nan 8.150 nan 0.000 0.445 337 A N -0.025 122.237 122.820 -0.930 0.000 1.902 337 A HA -0.188 4.132 4.320 -0.000 0.000 0.217 337 A C 1.798 179.150 177.584 -0.386 0.000 1.181 337 A CA 1.868 53.289 52.037 -1.027 0.000 0.623 337 A CB -0.584 17.485 19.000 -1.553 0.000 0.818 337 A HN 0.481 nan 8.150 nan 0.000 0.443 338 D N -0.417 119.902 120.400 -0.136 0.000 2.117 338 D HA -0.152 4.488 4.640 -0.000 0.000 0.197 338 D C 1.880 178.154 176.300 -0.043 0.000 0.987 338 D CA 1.517 55.567 54.000 0.083 0.000 0.829 338 D CB -0.293 40.543 40.800 0.061 0.000 0.961 338 D HN 0.576 nan 8.370 nan 0.000 0.460 339 K N -0.316 119.979 120.400 -0.176 0.000 2.001 339 K HA -0.177 4.143 4.320 -0.000 0.000 0.214 339 K C 1.895 178.224 176.600 -0.451 0.000 1.050 339 K CA 1.468 57.525 56.287 -0.383 0.000 0.934 339 K CB -0.162 32.025 32.500 -0.523 0.000 0.718 339 K HN 0.188 nan 8.250 nan 0.000 0.443 340 W N -0.250 121.039 121.300 -0.019 0.000 2.996 340 W HA 0.211 4.870 4.660 -0.001 0.000 0.270 340 W C 1.341 177.904 176.519 0.073 0.000 1.280 340 W CA -0.236 57.134 57.345 0.041 0.000 1.549 340 W CB 0.466 29.982 29.460 0.094 0.000 1.079 340 W HN 0.033 nan 8.180 nan 0.000 0.629 341 L N -0.602 120.775 121.223 0.256 0.000 2.920 341 L HA 0.222 4.562 4.340 -0.000 0.000 0.257 341 L C 0.519 177.586 176.870 0.328 0.000 1.150 341 L CA 0.092 55.104 54.840 0.287 0.000 0.959 341 L CB -0.251 41.955 42.059 0.243 0.000 1.321 341 L HN -0.388 nan 8.230 nan 0.000 0.555 342 T N 1.268 115.985 114.554 0.273 0.000 2.849 342 T HA 0.139 4.489 4.350 -0.000 0.000 0.289 342 T C 1.273 176.032 174.700 0.098 0.000 1.010 342 T CA 1.298 63.502 62.100 0.173 0.000 1.161 342 T CB 0.525 69.445 68.868 0.086 0.000 0.989 342 T HN 0.619 nan 8.240 nan 0.000 0.523 343 G N 2.830 111.661 108.800 0.051 0.000 2.175 343 G HA2 -0.260 3.699 3.960 -0.000 0.000 0.265 343 G HA3 -0.260 3.699 3.960 -0.000 0.000 0.265 343 G C 0.674 175.607 174.900 0.054 0.000 0.979 343 G CA 0.470 45.587 45.100 0.027 0.000 0.663 343 G HN 0.695 nan 8.290 nan 0.000 0.533 344 L N -0.978 120.310 121.223 0.107 0.000 2.672 344 L HA 0.661 5.001 4.340 -0.000 0.000 0.236 344 L C 1.136 178.074 176.870 0.113 0.000 1.092 344 L CA 0.753 55.656 54.840 0.105 0.000 0.887 344 L CB 0.351 42.487 42.059 0.130 0.000 1.168 344 L HN 0.591 nan 8.230 nan 0.000 0.502 345 A N 0.030 122.956 122.820 0.176 0.000 2.610 345 A HA 0.679 4.999 4.320 -0.000 0.000 0.291 345 A C -1.409 176.284 177.584 0.182 0.000 1.086 345 A CA -0.506 51.654 52.037 0.204 0.000 0.677 345 A CB 1.453 20.646 19.000 0.322 0.000 1.278 345 A HN 0.056 nan 8.150 nan 0.000 0.414 346 E N -0.248 120.015 120.200 0.106 0.000 2.212 346 E HA 0.639 4.988 4.350 -0.000 0.000 0.268 346 E C -1.319 175.374 176.600 0.154 0.000 0.902 346 E CA -0.322 56.033 56.400 -0.076 0.000 0.779 346 E CB 1.934 31.543 29.700 -0.152 0.000 1.172 346 E HN 0.680 nan 8.360 nan 0.000 0.409 347 W N 0.530 121.771 121.300 -0.100 0.000 3.137 347 W HA 0.452 5.112 4.660 -0.001 0.000 0.324 347 W C -1.260 175.175 176.519 -0.139 0.000 1.253 347 W CA -0.753 56.559 57.345 -0.054 0.000 1.183 347 W CB 0.552 30.048 29.460 0.061 0.000 1.424 347 W HN 0.343 nan 8.180 nan 0.000 0.566 348 H N 1.159 120.448 119.070 0.366 0.000 2.502 348 H HA 0.444 4.999 4.556 -0.000 0.000 0.338 348 H C -0.137 175.405 175.328 0.355 0.000 1.155 348 H CA -0.849 55.349 56.048 0.249 0.000 1.237 348 H CB 2.437 32.330 29.762 0.218 0.000 1.534 348 H HN 0.488 nan 8.280 nan 0.000 0.523 349 V N 4.156 124.298 119.914 0.379 0.000 2.508 349 V HA 0.142 4.262 4.120 -0.000 0.000 0.281 349 V C -2.152 174.101 176.094 0.266 0.000 1.041 349 V CA -1.284 61.188 62.300 0.287 0.000 1.016 349 V CB 0.423 32.349 31.823 0.172 0.000 0.984 349 V HN 0.599 nan 8.190 nan 0.000 0.478 350 P HA 0.186 nan 4.420 nan 0.000 0.265 350 P C 0.124 177.630 177.300 0.344 0.000 1.193 350 P CA 0.293 63.587 63.100 0.322 0.000 0.765 350 P CB 1.054 33.025 31.700 0.451 0.000 0.823 351 A N 2.337 125.302 122.820 0.241 0.000 2.147 351 A HA 0.546 4.866 4.320 -0.000 0.000 0.211 351 A C 0.794 178.411 177.584 0.054 0.000 1.160 351 A CA 1.200 53.352 52.037 0.191 0.000 0.781 351 A CB -0.161 18.880 19.000 0.068 0.000 0.842 351 A HN 0.649 nan 8.150 nan 0.000 0.475 352 A N -3.366 119.416 122.820 -0.063 0.000 2.544 352 A HA 0.650 4.970 4.320 -0.000 0.000 0.291 352 A C 0.447 177.834 177.584 -0.329 0.000 1.055 352 A CA 0.091 51.794 52.037 -0.557 0.000 0.651 352 A CB -0.372 18.414 19.000 -0.357 0.000 1.296 352 A HN 2.093 nan 8.150 nan 0.000 0.431 353 G N -0.620 107.872 108.800 -0.513 0.000 2.527 353 G HA2 0.210 4.170 3.960 -0.000 0.000 0.227 353 G HA3 0.210 4.170 3.960 -0.000 0.000 0.227 353 G C 0.349 174.965 174.900 -0.473 0.000 1.291 353 G CA 0.820 45.458 45.100 -0.770 0.000 0.904 353 G HN 2.376 nan 8.290 nan 0.000 0.577 354 M N -2.027 117.026 119.600 -0.912 0.000 2.687 354 M HA 0.659 5.139 4.480 -0.000 0.000 0.413 354 M C -0.682 174.493 176.300 -1.874 0.000 1.216 354 M CA -0.198 54.220 55.300 -1.471 0.000 0.871 354 M CB 0.584 32.557 32.600 -1.044 0.000 1.481 354 M HN 0.327 nan 8.290 nan 0.000 0.521 355 F N 1.363 120.991 119.950 -0.538 0.000 2.563 355 F HA 0.741 5.268 4.527 -0.000 0.000 0.316 355 F C -0.819 175.146 175.800 0.274 0.000 1.076 355 F CA -1.195 56.723 58.000 -0.137 0.000 0.921 355 F CB 1.815 40.752 39.000 -0.106 0.000 1.209 355 F HN -0.029 nan 8.300 nan 0.000 0.462 356 L N 3.289 124.846 121.223 0.555 0.000 2.317 356 L HA 0.477 4.816 4.340 -0.000 0.000 0.281 356 L C -1.465 175.714 176.870 0.514 0.000 1.024 356 L CA -0.706 54.432 54.840 0.496 0.000 0.810 356 L CB 1.497 43.786 42.059 0.384 0.000 1.240 356 L HN 0.763 nan 8.230 nan 0.000 0.427 357 W N 8.032 129.490 121.300 0.264 0.000 2.411 357 W HA 0.559 5.219 4.660 -0.000 0.000 0.317 357 W C -1.735 174.998 176.519 0.356 0.000 1.030 357 W CA -0.875 56.615 57.345 0.242 0.000 1.239 357 W CB 1.458 31.010 29.460 0.153 0.000 1.304 357 W HN 0.391 nan 8.180 nan 0.000 0.437 358 I N 5.963 126.606 120.570 0.121 0.000 2.406 358 I HA 0.228 4.398 4.170 -0.000 0.000 0.290 358 I C 0.084 176.124 176.117 -0.130 0.000 0.999 358 I CA -0.694 60.669 61.300 0.106 0.000 1.124 358 I CB 1.967 40.050 38.000 0.138 0.000 1.289 358 I HN 0.237 nan 8.210 nan 0.000 0.441 359 K N 5.869 126.168 120.400 -0.169 0.000 2.262 359 K HA 0.450 4.769 4.320 -0.000 0.000 0.282 359 K C -0.901 175.560 176.600 -0.231 0.000 1.066 359 K CA -0.511 55.462 56.287 -0.524 0.000 0.901 359 K CB 1.029 33.187 32.500 -0.570 0.000 1.089 359 K HN 0.400 nan 8.250 nan 0.000 0.476 360 V N 5.687 125.460 119.914 -0.234 0.000 2.488 360 V HA 0.085 4.205 4.120 -0.000 0.000 0.277 360 V C 0.270 176.293 176.094 -0.118 0.000 1.046 360 V CA -0.303 61.933 62.300 -0.106 0.000 0.986 360 V CB 0.795 32.569 31.823 -0.082 0.000 0.989 360 V HN 0.722 nan 8.190 nan 0.000 0.475 361 K N 3.314 123.677 120.400 -0.062 0.000 2.270 361 K HA 0.459 4.778 4.320 -0.000 0.000 0.276 361 K C 1.177 177.751 176.600 -0.043 0.000 1.023 361 K CA 0.474 56.726 56.287 -0.058 0.000 0.955 361 K CB 0.901 33.381 32.500 -0.034 0.000 0.975 361 K HN 1.040 nan 8.250 nan 0.000 0.471 362 G N 1.763 110.536 108.800 -0.045 0.000 2.153 362 G HA2 -0.231 3.729 3.960 -0.000 0.000 0.252 362 G HA3 -0.231 3.729 3.960 -0.000 0.000 0.252 362 G C -0.043 174.838 174.900 -0.032 0.000 0.994 362 G CA -0.178 44.903 45.100 -0.031 0.000 0.698 362 G HN 0.492 nan 8.290 nan 0.000 0.521 363 I N 0.847 121.389 120.570 -0.047 0.000 2.689 363 I HA 0.301 4.470 4.170 -0.000 0.000 0.299 363 I C 0.992 177.077 176.117 -0.053 0.000 1.059 363 I CA -0.572 60.702 61.300 -0.043 0.000 1.055 363 I CB 1.773 39.749 38.000 -0.041 0.000 1.243 363 I HN 0.170 nan 8.210 nan 0.000 0.425 364 N N 3.852 122.529 118.700 -0.039 0.000 2.258 364 N HA -0.012 4.727 4.740 -0.000 0.000 0.183 364 N C -0.107 175.381 175.510 -0.036 0.000 1.029 364 N CA 0.473 53.500 53.050 -0.037 0.000 0.857 364 N CB 0.121 38.592 38.487 -0.025 0.000 1.008 364 N HN 0.535 nan 8.380 nan 0.000 0.433 365 D N -0.218 120.166 120.400 -0.026 0.000 2.757 365 D HA 0.247 4.887 4.640 -0.000 0.000 0.249 365 D C 0.774 177.067 176.300 -0.013 0.000 1.168 365 D CA -0.717 53.274 54.000 -0.015 0.000 0.870 365 D CB 2.362 43.157 40.800 -0.007 0.000 1.411 365 D HN -0.035 nan 8.370 nan 0.000 0.525 366 V N 2.233 122.143 119.914 -0.007 0.000 3.541 366 V HA 0.089 4.209 4.120 -0.000 0.000 0.267 366 V C 1.998 178.096 176.094 0.007 0.000 1.213 366 V CA 0.593 62.889 62.300 -0.007 0.000 1.149 366 V CB -0.459 31.358 31.823 -0.011 0.000 0.822 366 V HN 0.531 nan 8.190 nan 0.000 0.462 367 K N 1.234 121.643 120.400 0.016 0.000 2.103 367 K HA -0.282 4.037 4.320 -0.000 0.000 0.207 367 K C 2.171 178.777 176.600 0.010 0.000 1.048 367 K CA 2.223 58.523 56.287 0.021 0.000 0.930 367 K CB -0.004 32.510 32.500 0.023 0.000 0.716 367 K HN 0.686 nan 8.250 nan 0.000 0.444 368 E N 0.346 120.548 120.200 0.003 0.000 2.112 368 E HA -0.148 4.201 4.350 -0.000 0.000 0.190 368 E C 1.936 178.534 176.600 -0.004 0.000 0.979 368 E CA 0.488 56.888 56.400 -0.001 0.000 0.814 368 E CB -0.106 29.593 29.700 -0.003 0.000 0.762 368 E HN 0.236 nan 8.360 nan 0.000 0.460 369 L N 0.460 121.679 121.223 -0.006 0.000 2.083 369 L HA -0.104 4.235 4.340 -0.000 0.000 0.209 369 L C 1.871 178.733 176.870 -0.014 0.000 1.083 369 L CA 1.559 56.392 54.840 -0.012 0.000 0.752 369 L CB -0.196 41.854 42.059 -0.014 0.000 0.899 369 L HN 0.310 nan 8.230 nan 0.000 0.433 370 I N -0.913 119.652 120.570 -0.008 0.000 2.729 370 I HA -0.052 4.117 4.170 -0.000 0.000 0.256 370 I C 1.797 177.911 176.117 -0.004 0.000 1.115 370 I CA 0.743 62.037 61.300 -0.009 0.000 1.446 370 I CB -0.445 37.557 38.000 0.004 0.000 1.176 370 I HN 0.329 nan 8.210 nan 0.000 0.446 371 E N 0.347 120.549 120.200 0.003 0.000 2.476 371 E HA -0.025 4.325 4.350 -0.000 0.000 0.191 371 E C 0.803 177.403 176.600 0.001 0.000 1.064 371 E CA 0.247 56.650 56.400 0.006 0.000 0.866 371 E CB 0.539 30.247 29.700 0.012 0.000 0.952 371 E HN 0.530 nan 8.360 nan 0.000 0.492 372 E N -0.424 119.773 120.200 -0.004 0.000 3.155 372 E HA 0.028 4.378 4.350 -0.000 0.000 0.208 372 E C 1.527 178.121 176.600 -0.010 0.000 1.060 372 E CA -0.019 56.378 56.400 -0.006 0.000 1.522 372 E CB 0.294 29.991 29.700 -0.005 0.000 1.433 372 E HN -0.172 nan 8.360 nan 0.000 0.709 373 K N 1.320 121.713 120.400 -0.013 0.000 2.062 373 K HA 0.094 4.414 4.320 -0.000 0.000 0.205 373 K C 1.771 178.356 176.600 -0.025 0.000 1.051 373 K CA 1.407 57.684 56.287 -0.017 0.000 0.941 373 K CB -0.035 32.455 32.500 -0.017 0.000 0.719 373 K HN 0.119 nan 8.250 nan 0.000 0.440 374 A N -0.141 122.662 122.820 -0.028 0.000 2.021 374 A HA 0.003 4.323 4.320 -0.000 0.000 0.216 374 A C 2.034 179.596 177.584 -0.037 0.000 1.163 374 A CA 1.058 53.070 52.037 -0.041 0.000 0.676 374 A CB -0.402 18.567 19.000 -0.051 0.000 0.818 374 A HN 0.097 nan 8.150 nan 0.000 0.453 375 V N 0.224 120.124 119.914 -0.024 0.000 2.490 375 V HA -0.271 3.849 4.120 -0.000 0.000 0.250 375 V C 2.257 178.340 176.094 -0.019 0.000 1.061 375 V CA 2.118 64.407 62.300 -0.018 0.000 1.064 375 V CB -0.871 30.946 31.823 -0.009 0.000 0.670 375 V HN 0.467 nan 8.190 nan 0.000 0.461 376 K N -0.087 120.301 120.400 -0.020 0.000 2.026 376 K HA -0.054 4.266 4.320 -0.000 0.000 0.208 376 K C 1.988 178.573 176.600 -0.025 0.000 1.048 376 K CA 1.701 57.977 56.287 -0.019 0.000 0.929 376 K CB -0.237 32.253 32.500 -0.017 0.000 0.713 376 K HN 0.410 nan 8.250 nan 0.000 0.439 377 M N -0.339 119.241 119.600 -0.034 0.000 2.628 377 M HA 0.034 4.514 4.480 -0.000 0.000 0.232 377 M C 0.480 176.752 176.300 -0.046 0.000 1.128 377 M CA 0.503 55.777 55.300 -0.043 0.000 1.040 377 M CB 0.652 33.218 32.600 -0.056 0.000 1.608 377 M HN 0.396 nan 8.290 nan 0.000 0.507 378 G N 0.869 109.647 108.800 -0.038 0.000 2.182 378 G HA2 -0.174 3.786 3.960 -0.000 0.000 0.248 378 G HA3 -0.174 3.786 3.960 -0.000 0.000 0.248 378 G C -0.381 174.493 174.900 -0.044 0.000 1.042 378 G CA -0.198 44.882 45.100 -0.034 0.000 0.775 378 G HN 0.344 nan 8.290 nan 0.000 0.501 379 V N 0.314 120.196 119.914 -0.053 0.000 2.686 379 V HA 0.740 4.860 4.120 -0.000 0.000 0.306 379 V C 0.157 176.216 176.094 -0.057 0.000 1.065 379 V CA -0.830 61.428 62.300 -0.070 0.000 0.894 379 V CB 2.107 33.862 31.823 -0.114 0.000 1.004 379 V HN 0.325 nan 8.190 nan 0.000 0.424 380 L N 5.228 126.424 121.223 -0.045 0.000 2.362 380 L HA 0.733 5.073 4.340 -0.000 0.000 0.271 380 L C -0.553 176.303 176.870 -0.023 0.000 1.002 380 L CA -0.388 54.439 54.840 -0.022 0.000 0.818 380 L CB 2.168 44.232 42.059 0.009 0.000 1.298 380 L HN 0.524 nan 8.230 nan 0.000 0.420 381 M N 3.256 122.853 119.600 -0.006 0.000 2.550 381 M HA 0.429 4.909 4.480 -0.000 0.000 0.292 381 M C -1.111 175.241 176.300 0.087 0.000 1.221 381 M CA -0.688 54.630 55.300 0.030 0.000 0.873 381 M CB 2.899 35.486 32.600 -0.021 0.000 1.727 381 M HN 0.372 nan 8.290 nan 0.000 0.459 382 L N 4.731 126.048 121.223 0.156 0.000 2.313 382 L HA 0.353 4.693 4.340 -0.000 0.000 0.282 382 L C -1.971 175.051 176.870 0.254 0.000 1.092 382 L CA -1.580 53.389 54.840 0.216 0.000 0.831 382 L CB 1.037 43.283 42.059 0.311 0.000 1.159 382 L HN 0.279 nan 8.230 nan 0.000 0.442 383 P HA 0.042 nan 4.420 nan 0.000 0.271 383 P C 0.445 177.973 177.300 0.379 0.000 1.218 383 P CA -0.192 63.035 63.100 0.211 0.000 0.780 383 P CB 0.912 32.691 31.700 0.132 0.000 0.901 384 G N 2.556 111.616 108.800 0.433 0.000 2.559 384 G HA2 -0.209 3.751 3.960 -0.000 0.000 0.216 384 G HA3 -0.209 3.751 3.960 -0.000 0.000 0.216 384 G C 1.239 176.601 174.900 0.769 0.000 1.126 384 G CA 0.024 45.605 45.100 0.801 0.000 0.778 384 G HN 0.526 nan 8.290 nan 0.000 0.543 385 N N 1.460 120.405 118.700 0.410 0.000 2.091 385 N HA -0.214 4.526 4.740 -0.000 0.000 0.193 385 N C 2.334 177.977 175.510 0.222 0.000 1.021 385 N CA 1.380 54.599 53.050 0.282 0.000 0.862 385 N CB -0.204 38.354 38.487 0.120 0.000 1.018 385 N HN 0.363 nan 8.380 nan 0.000 0.429 386 A N 0.156 122.955 122.820 -0.035 0.000 2.239 386 A HA 0.035 4.355 4.320 -0.000 0.000 0.209 386 A C 1.047 178.317 177.584 -0.523 0.000 1.171 386 A CA 0.425 52.261 52.037 -0.336 0.000 0.768 386 A CB -0.596 18.094 19.000 -0.516 0.000 0.790 386 A HN 0.226 nan 8.150 nan 0.000 0.478 387 F N -2.065 117.934 119.950 0.082 0.000 2.693 387 F HA 0.298 4.824 4.527 -0.001 0.000 0.303 387 F C -0.165 175.396 175.800 -0.398 0.000 1.097 387 F CA -0.275 57.622 58.000 -0.172 0.000 1.330 387 F CB 0.012 38.839 39.000 -0.287 0.000 1.067 387 F HN 0.139 nan 8.300 nan 0.000 0.565 388 Y N -1.744 118.615 120.300 0.098 0.000 2.509 388 Y HA 0.362 4.913 4.550 0.000 0.000 0.341 388 Y C 1.002 176.906 175.900 0.007 0.000 1.038 388 Y CA -1.273 56.869 58.100 0.070 0.000 1.089 388 Y CB 1.116 39.634 38.460 0.097 0.000 1.241 388 Y HN -0.326 nan 8.280 nan 0.000 0.468 389 V N 0.273 120.278 119.914 0.152 0.000 2.324 389 V HA -0.243 3.877 4.120 -0.000 0.000 0.250 389 V C 0.441 176.568 176.094 0.055 0.000 1.060 389 V CA 2.191 64.530 62.300 0.065 0.000 1.042 389 V CB -0.296 31.561 31.823 0.057 0.000 0.650 389 V HN 0.737 nan 8.190 nan 0.000 0.450 390 D N -0.697 119.760 120.400 0.095 0.000 2.467 390 D HA 0.175 4.815 4.640 -0.000 0.000 0.220 390 D C 1.098 177.433 176.300 0.059 0.000 1.103 390 D CA 0.399 54.428 54.000 0.049 0.000 0.886 390 D CB 1.136 41.957 40.800 0.036 0.000 1.025 390 D HN 0.292 nan 8.370 nan 0.000 0.514 391 S N 1.108 116.826 115.700 0.031 0.000 2.562 391 S HA -0.039 4.430 4.470 -0.000 0.000 0.221 391 S C 1.486 176.094 174.600 0.014 0.000 0.975 391 S CA -0.070 58.154 58.200 0.040 0.000 0.918 391 S CB 0.131 63.326 63.200 -0.007 0.000 0.772 391 S HN 0.240 nan 8.310 nan 0.000 0.531 392 S N 1.825 117.524 115.700 -0.002 0.000 2.496 392 S HA 0.420 4.890 4.470 -0.000 0.000 0.224 392 S C 1.119 175.713 174.600 -0.010 0.000 0.996 392 S CA 0.279 58.475 58.200 -0.007 0.000 0.927 392 S CB -0.311 62.882 63.200 -0.011 0.000 0.774 392 S HN 0.787 nan 8.310 nan 0.000 0.524 393 A N 3.091 125.901 122.820 -0.017 0.000 2.483 393 A HA 0.390 4.709 4.320 -0.000 0.000 0.238 393 A C -2.424 175.134 177.584 -0.042 0.000 1.070 393 A CA -0.964 51.051 52.037 -0.037 0.000 0.770 393 A CB -0.385 18.575 19.000 -0.065 0.000 1.008 393 A HN 0.126 nan 8.150 nan 0.000 0.497 394 P HA 0.280 nan 4.420 nan 0.000 0.272 394 P C -0.476 176.800 177.300 -0.039 0.000 1.223 394 P CA -0.050 63.034 63.100 -0.027 0.000 0.784 394 P CB 1.028 32.715 31.700 -0.023 0.000 0.923 395 S N 1.828 117.529 115.700 0.001 0.000 2.557 395 S HA 0.481 4.951 4.470 -0.000 0.000 0.291 395 S C -2.206 172.408 174.600 0.023 0.000 1.116 395 S CA -1.884 56.343 58.200 0.045 0.000 0.992 395 S CB 1.176 64.471 63.200 0.157 0.000 1.028 395 S HN 0.256 nan 8.310 nan 0.000 0.484 396 P HA 0.113 nan 4.420 nan 0.000 0.245 396 P C -0.593 176.515 177.300 -0.320 0.000 1.212 396 P CA 0.187 63.166 63.100 -0.201 0.000 0.774 396 P CB -0.137 31.370 31.700 -0.321 0.000 0.999 397 Y N 0.057 120.243 120.300 -0.189 0.000 2.387 397 Y HA 0.468 5.017 4.550 -0.000 0.000 0.330 397 Y C 0.827 176.523 175.900 -0.340 0.000 1.133 397 Y CA -0.657 57.163 58.100 -0.468 0.000 1.152 397 Y CB 1.412 39.300 38.460 -0.953 0.000 1.215 397 Y HN -0.274 nan 8.280 nan 0.000 0.466 398 L N 3.204 124.313 121.223 -0.190 0.000 2.381 398 L HA 0.591 4.931 4.340 -0.000 0.000 0.268 398 L C -0.535 176.396 176.870 0.102 0.000 0.997 398 L CA -1.002 53.838 54.840 0.000 0.000 0.818 398 L CB 2.324 44.388 42.059 0.008 0.000 1.310 398 L HN 0.493 nan 8.230 nan 0.000 0.416 399 R N 2.145 122.816 120.500 0.286 0.000 2.295 399 R HA 0.736 5.076 4.340 -0.000 0.000 0.324 399 R C -1.017 175.457 176.300 0.290 0.000 0.968 399 R CA -0.384 55.938 56.100 0.369 0.000 0.837 399 R CB 1.618 32.067 30.300 0.248 0.000 1.133 399 R HN 0.747 nan 8.270 nan 0.000 0.450 400 A N 3.254 126.274 122.820 0.334 0.000 2.287 400 A HA 0.306 4.626 4.320 -0.000 0.000 0.317 400 A C -0.492 177.319 177.584 0.380 0.000 1.220 400 A CA -0.478 51.737 52.037 0.297 0.000 0.835 400 A CB 1.573 20.741 19.000 0.280 0.000 1.180 400 A HN 0.648 nan 8.150 nan 0.000 0.500 401 S N 1.618 117.507 115.700 0.316 0.000 2.513 401 S HA 0.508 4.978 4.470 -0.000 0.000 0.276 401 S C 0.172 174.831 174.600 0.099 0.000 1.254 401 S CA -0.445 57.836 58.200 0.136 0.000 1.053 401 S CB -0.148 63.140 63.200 0.147 0.000 0.958 401 S HN 1.007 nan 8.310 nan 0.000 0.491 402 F N 2.915 122.886 119.950 0.034 0.000 2.668 402 F HA 0.334 4.860 4.527 -0.001 0.000 0.301 402 F C 1.679 177.489 175.800 0.016 0.000 1.106 402 F CA -0.184 57.834 58.000 0.029 0.000 1.289 402 F CB -0.852 38.150 39.000 0.004 0.000 1.006 402 F HN 0.550 nan 8.300 nan 0.000 0.535 403 S N -0.334 115.346 115.700 -0.034 0.000 2.399 403 S HA -0.125 4.344 4.470 -0.000 0.000 0.231 403 S C 1.552 176.234 174.600 0.137 0.000 1.022 403 S CA 1.572 59.841 58.200 0.115 0.000 0.983 403 S CB -0.592 62.718 63.200 0.183 0.000 0.803 403 S HN 0.379 nan 8.310 nan 0.000 0.480 404 S N 0.806 116.583 115.700 0.128 0.000 2.741 404 S HA 0.593 5.063 4.470 -0.000 0.000 0.245 404 S C 0.794 175.468 174.600 0.122 0.000 1.083 404 S CA 0.034 58.314 58.200 0.133 0.000 0.873 404 S CB 0.021 63.284 63.200 0.104 0.000 0.814 404 S HN 0.767 nan 8.310 nan 0.000 0.476 405 A N 2.981 125.868 122.820 0.111 0.000 2.462 405 A HA 0.532 4.851 4.320 -0.000 0.000 0.243 405 A C 0.725 178.359 177.584 0.083 0.000 1.076 405 A CA -0.254 51.839 52.037 0.094 0.000 0.773 405 A CB 0.012 19.071 19.000 0.099 0.000 1.010 405 A HN 0.475 nan 8.150 nan 0.000 0.493 406 S N 2.190 117.931 115.700 0.069 0.000 2.614 406 S HA 0.370 4.840 4.470 -0.000 0.000 0.265 406 S C -1.922 172.706 174.600 0.047 0.000 1.303 406 S CA -0.771 57.462 58.200 0.054 0.000 1.000 406 S CB 0.425 63.654 63.200 0.050 0.000 0.935 406 S HN 0.441 nan 8.310 nan 0.000 0.551 407 P HA -0.059 nan 4.420 nan 0.000 0.219 407 P C 0.900 178.233 177.300 0.054 0.000 1.146 407 P CA 1.162 64.279 63.100 0.027 0.000 0.808 407 P CB -0.008 31.693 31.700 0.002 0.000 0.779 408 E N -0.383 119.846 120.200 0.050 0.000 2.072 408 E HA -0.169 4.181 4.350 -0.000 0.000 0.191 408 E C 2.134 178.769 176.600 0.058 0.000 0.985 408 E CA 1.189 57.622 56.400 0.055 0.000 0.801 408 E CB -0.754 28.971 29.700 0.041 0.000 0.750 408 E HN 0.402 nan 8.360 nan 0.000 0.452 409 Q N -0.367 119.465 119.800 0.053 0.000 2.172 409 Q HA -0.024 4.316 4.340 -0.000 0.000 0.200 409 Q C 2.151 178.189 176.000 0.064 0.000 0.964 409 Q CA 0.961 56.790 55.803 0.043 0.000 0.855 409 Q CB -0.118 28.645 28.738 0.040 0.000 0.918 409 Q HN 0.318 nan 8.270 nan 0.000 0.444 410 M N 0.572 120.240 119.600 0.114 0.000 2.080 410 M HA -0.221 4.258 4.480 -0.000 0.000 0.260 410 M C 1.649 178.126 176.300 0.296 0.000 1.068 410 M CA 1.736 57.173 55.300 0.229 0.000 1.109 410 M CB -0.250 32.478 32.600 0.214 0.000 1.342 410 M HN 0.158 nan 8.290 nan 0.000 0.405 411 D N -0.258 120.265 120.400 0.206 0.000 2.123 411 D HA -0.158 4.482 4.640 -0.000 0.000 0.196 411 D C 1.743 178.046 176.300 0.006 0.000 0.992 411 D CA 1.342 55.480 54.000 0.231 0.000 0.833 411 D CB 0.185 41.132 40.800 0.246 0.000 0.954 411 D HN 0.070 nan 8.370 nan 0.000 0.455 412 V N 0.607 120.509 119.914 -0.020 0.000 2.295 412 V HA -0.243 3.877 4.120 -0.000 0.000 0.246 412 V C 2.475 178.451 176.094 -0.196 0.000 1.049 412 V CA 1.854 64.082 62.300 -0.120 0.000 1.024 412 V CB -0.901 30.884 31.823 -0.064 0.000 0.648 412 V HN 0.338 nan 8.190 nan 0.000 0.447 413 A N -0.723 122.006 122.820 -0.151 0.000 1.898 413 A HA -0.145 4.175 4.320 -0.000 0.000 0.216 413 A C 2.018 179.372 177.584 -0.383 0.000 1.181 413 A CA 1.726 53.604 52.037 -0.265 0.000 0.620 413 A CB -0.660 18.154 19.000 -0.309 0.000 0.819 413 A HN 0.497 nan 8.150 nan 0.000 0.442 414 F N -0.307 119.514 119.950 -0.215 0.000 2.367 414 F HA -0.050 4.477 4.527 -0.001 0.000 0.298 414 F C 2.538 178.044 175.800 -0.490 0.000 1.094 414 F CA 1.301 59.178 58.000 -0.205 0.000 1.409 414 F CB -0.148 38.850 39.000 -0.005 0.000 1.064 414 F HN 0.364 nan 8.300 nan 0.000 0.528 415 Q N 0.601 119.855 119.800 -0.910 0.000 1.993 415 Q HA -0.173 4.167 4.340 -0.000 0.000 0.202 415 Q C 2.234 177.889 176.000 -0.574 0.000 0.984 415 Q CA 2.234 57.208 55.803 -1.382 0.000 0.837 415 Q CB -0.375 27.497 28.738 -1.443 0.000 0.902 415 Q HN 0.239 nan 8.270 nan 0.000 0.423 416 V N 1.612 121.291 119.914 -0.391 0.000 2.332 416 V HA -0.294 3.825 4.120 -0.000 0.000 0.248 416 V C 2.419 178.416 176.094 -0.162 0.000 1.055 416 V CA 1.730 63.893 62.300 -0.228 0.000 1.038 416 V CB -0.636 31.076 31.823 -0.186 0.000 0.651 416 V HN 0.481 nan 8.190 nan 0.000 0.450 417 L N -0.128 120.995 121.223 -0.168 0.000 1.994 417 L HA -0.171 4.169 4.340 -0.000 0.000 0.208 417 L C 2.688 179.548 176.870 -0.017 0.000 1.071 417 L CA 2.019 56.801 54.840 -0.096 0.000 0.745 417 L CB -0.765 41.224 42.059 -0.118 0.000 0.892 417 L HN 0.376 nan 8.230 nan 0.000 0.431 418 A N -0.455 122.386 122.820 0.036 0.000 1.915 418 A HA -0.366 3.953 4.320 -0.000 0.000 0.220 418 A C 2.189 179.812 177.584 0.064 0.000 1.198 418 A CA 2.419 54.527 52.037 0.118 0.000 0.647 418 A CB -0.845 18.317 19.000 0.269 0.000 0.825 418 A HN 0.681 nan 8.150 nan 0.000 0.456 419 Q N -0.520 119.282 119.800 0.002 0.000 2.020 419 Q HA -0.137 4.203 4.340 -0.000 0.000 0.202 419 Q C 2.070 178.068 176.000 -0.003 0.000 0.982 419 Q CA 1.685 57.487 55.803 -0.002 0.000 0.838 419 Q CB -0.260 28.452 28.738 -0.042 0.000 0.899 419 Q HN 0.671 nan 8.270 nan 0.000 0.423 420 L N 0.526 121.737 121.223 -0.021 0.000 2.127 420 L HA -0.210 4.130 4.340 -0.000 0.000 0.211 420 L C 2.411 179.278 176.870 -0.005 0.000 1.089 420 L CA 0.882 55.711 54.840 -0.018 0.000 0.757 420 L CB -0.384 41.656 42.059 -0.031 0.000 0.899 420 L HN 0.335 nan 8.230 nan 0.000 0.434 421 I N -0.321 120.252 120.570 0.006 0.000 2.179 421 I HA -0.290 3.880 4.170 -0.000 0.000 0.242 421 I C 2.490 178.618 176.117 0.018 0.000 1.088 421 I CA 1.305 62.614 61.300 0.014 0.000 1.357 421 I CB -0.351 37.667 38.000 0.031 0.000 1.051 421 I HN 0.169 nan 8.210 nan 0.000 0.409 422 K N 1.172 121.589 120.400 0.028 0.000 2.034 422 K HA -0.230 4.089 4.320 -0.000 0.000 0.214 422 K C 1.714 178.324 176.600 0.016 0.000 1.051 422 K CA 1.769 58.073 56.287 0.028 0.000 0.931 422 K CB -0.294 32.228 32.500 0.038 0.000 0.715 422 K HN 0.338 nan 8.250 nan 0.000 0.446 423 E N 0.494 120.700 120.200 0.010 0.000 2.526 423 E HA -0.088 4.262 4.350 -0.000 0.000 0.205 423 E C -0.326 176.275 176.600 0.001 0.000 1.104 423 E CA 0.668 57.071 56.400 0.004 0.000 0.899 423 E CB -0.067 29.633 29.700 -0.001 0.000 0.838 423 E HN 0.268 nan 8.360 nan 0.000 0.564 424 S N -0.428 115.273 115.700 0.002 0.000 2.730 424 S HA 0.307 4.777 4.470 -0.000 0.000 0.150 424 S C -0.556 174.044 174.600 -0.001 0.000 1.139 424 S CA -0.662 57.537 58.200 -0.001 0.000 1.155 424 S CB -0.248 62.949 63.200 -0.005 0.000 1.682 424 S HN 0.009 nan 8.310 nan 0.000 0.452 425 L N 0.000 121.224 121.223 0.002 0.000 2.949 425 L HA 0.000 4.340 4.340 -0.000 0.000 0.249 425 L CA 0.000 54.841 54.840 0.002 0.000 0.813 425 L CB 0.000 42.064 42.059 0.009 0.000 0.961 425 L HN 0.000 nan 8.230 nan 0.000 0.502