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 3l09_1_D DATA FIRST_RESID 3 DATA SEQUENCE DASDPIRPLV EALNAEAPLK LWSVLVTCLG DVSRDGVIEV SGVALSSFVE DATA SEQUENCE RXGLQPQAXR VALHRLKRDG WVESRRLGRV GFHRLSDSAL TQTRAVAGRI DATA SEQUENCE YGPGAGPAPW HLAGXPPDAP DGLSLLPDTL SATPISRRFA LICGPLEDVP DATA SEQUENCE EDWLLTAPSG RGLPVWVQDV VVEAGCEAEF KALERTLAQI DKVPDTRLER DATA SEQUENCE FTLRVLVLHA WRRLILRSSP AAEAALGGAR AEISCRARVH QLLDQLGSVE DATA SEQUENCE P 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 D HA 0.000 nan 4.640 nan 0.000 0.175 3 D C 0.000 176.301 176.300 0.002 0.000 2.045 3 D CA 0.000 54.002 54.000 0.003 0.000 0.868 3 D CB 0.000 40.801 40.800 0.001 0.000 0.688 4 A N 0.158 122.979 122.820 0.002 0.000 2.119 4 A HA 0.372 4.692 4.320 -0.000 0.000 0.216 4 A C 2.204 179.789 177.584 0.002 0.000 1.152 4 A CA 2.235 54.273 52.037 0.001 0.000 0.708 4 A CB -0.182 18.819 19.000 0.001 0.000 0.805 4 A HN 0.495 nan 8.150 nan 0.000 0.460 5 S N 0.046 115.748 115.700 0.003 0.000 2.603 5 S HA -0.006 4.464 4.470 -0.000 0.000 0.220 5 S C 0.477 175.081 174.600 0.006 0.000 0.967 5 S CA -0.015 58.188 58.200 0.005 0.000 0.920 5 S CB -0.542 62.661 63.200 0.005 0.000 0.773 5 S HN 0.665 nan 8.310 nan 0.000 0.529 6 D N 2.121 122.525 120.400 0.006 0.000 2.472 6 D HA 0.023 4.663 4.640 -0.000 0.000 0.248 6 D C -1.466 174.839 176.300 0.008 0.000 1.174 6 D CA -1.240 52.765 54.000 0.008 0.000 0.883 6 D CB 1.105 41.908 40.800 0.006 0.000 1.149 6 D HN 0.124 nan 8.370 nan 0.000 0.488 7 P HA 0.116 nan 4.420 nan 0.000 0.245 7 P C 1.242 178.549 177.300 0.012 0.000 1.203 7 P CA 0.201 63.308 63.100 0.012 0.000 0.792 7 P CB 0.346 32.055 31.700 0.014 0.000 0.997 8 I N 0.211 120.789 120.570 0.013 0.000 2.141 8 I HA -0.164 4.006 4.170 -0.000 0.000 0.236 8 I C 2.760 178.875 176.117 -0.003 0.000 1.071 8 I CA 1.184 62.490 61.300 0.010 0.000 1.345 8 I CB -0.607 37.402 38.000 0.015 0.000 1.066 8 I HN -0.206 nan 8.210 nan 0.000 0.406 9 R N 1.645 122.140 120.500 -0.008 0.000 2.133 9 R HA -0.188 4.152 4.340 -0.000 0.000 0.245 9 R C -0.668 175.626 176.300 -0.011 0.000 1.137 9 R CA 2.315 58.407 56.100 -0.014 0.000 0.947 9 R CB -1.845 28.447 30.300 -0.012 0.000 0.865 9 R HN 0.258 nan 8.270 nan 0.000 0.437 10 P HA -0.144 nan 4.420 nan 0.000 0.217 10 P C 1.408 178.707 177.300 -0.002 0.000 1.150 10 P CA 0.922 64.019 63.100 -0.003 0.000 0.832 10 P CB -0.141 31.559 31.700 -0.001 0.000 0.787 11 L N 0.229 121.453 121.223 0.002 0.000 2.017 11 L HA -0.120 4.219 4.340 -0.000 0.000 0.208 11 L C 2.450 179.321 176.870 0.002 0.000 1.073 11 L CA 1.724 56.568 54.840 0.006 0.000 0.745 11 L CB -1.381 40.686 42.059 0.013 0.000 0.894 11 L HN -0.238 nan 8.230 nan 0.000 0.432 12 V N -0.009 119.900 119.914 -0.008 0.000 2.255 12 V HA -0.341 3.778 4.120 -0.000 0.000 0.247 12 V C 2.528 178.612 176.094 -0.018 0.000 1.051 12 V CA 2.235 64.524 62.300 -0.020 0.000 1.018 12 V CB -0.754 31.046 31.823 -0.038 0.000 0.641 12 V HN 0.521 nan 8.190 nan 0.000 0.445 13 E N 0.164 120.354 120.200 -0.016 0.000 2.085 13 E HA -0.235 4.115 4.350 -0.000 0.000 0.194 13 E C 2.287 178.880 176.600 -0.011 0.000 0.994 13 E CA 1.403 57.794 56.400 -0.015 0.000 0.801 13 E CB -0.364 29.328 29.700 -0.012 0.000 0.743 13 E HN 0.628 nan 8.360 nan 0.000 0.453 14 A N 1.149 123.966 122.820 -0.006 0.000 1.873 14 A HA -0.138 4.181 4.320 -0.000 0.000 0.215 14 A C 2.210 179.792 177.584 -0.003 0.000 1.186 14 A CA 1.000 53.036 52.037 -0.003 0.000 0.616 14 A CB -0.606 18.395 19.000 0.003 0.000 0.823 14 A HN 0.112 nan 8.150 nan 0.000 0.442 15 L N -0.335 120.887 121.223 -0.000 0.000 2.017 15 L HA -0.193 4.147 4.340 -0.000 0.000 0.208 15 L C 2.297 179.160 176.870 -0.011 0.000 1.073 15 L CA 1.294 56.134 54.840 0.000 0.000 0.745 15 L CB -0.803 41.266 42.059 0.016 0.000 0.894 15 L HN 0.360 nan 8.230 nan 0.000 0.432 16 N N 0.423 119.114 118.700 -0.015 0.000 2.223 16 N HA -0.149 4.591 4.740 -0.000 0.000 0.185 16 N C 1.852 177.350 175.510 -0.020 0.000 1.016 16 N CA 1.523 54.560 53.050 -0.022 0.000 0.863 16 N CB -0.168 38.304 38.487 -0.025 0.000 0.983 16 N HN 0.328 nan 8.380 nan 0.000 0.429 17 A N 1.572 124.382 122.820 -0.017 0.000 1.930 17 A HA -0.171 4.149 4.320 -0.000 0.000 0.217 17 A C 2.106 179.679 177.584 -0.018 0.000 1.175 17 A CA 1.587 53.615 52.037 -0.015 0.000 0.627 17 A CB -0.391 18.602 19.000 -0.012 0.000 0.815 17 A HN 0.606 nan 8.150 nan 0.000 0.443 18 E N -0.652 119.536 120.200 -0.021 0.000 2.076 18 E HA 0.305 4.655 4.350 -0.000 0.000 0.190 18 E C 0.536 177.114 176.600 -0.036 0.000 0.979 18 E CA 0.800 57.183 56.400 -0.029 0.000 0.807 18 E CB -0.095 29.586 29.700 -0.032 0.000 0.761 18 E HN 0.520 nan 8.360 nan 0.000 0.454 19 A N 1.752 124.550 122.820 -0.036 0.000 2.500 19 A HA 0.357 4.677 4.320 -0.000 0.000 0.288 19 A C -2.833 174.729 177.584 -0.036 0.000 1.045 19 A CA -1.493 50.520 52.037 -0.040 0.000 0.830 19 A CB 1.034 20.000 19.000 -0.057 0.000 1.337 19 A HN -0.021 nan 8.150 nan 0.000 0.400 20 P HA 0.113 nan 4.420 nan 0.000 0.262 20 P C -0.422 176.848 177.300 -0.050 0.000 1.182 20 P CA 0.464 63.543 63.100 -0.035 0.000 0.761 20 P CB 0.424 32.108 31.700 -0.027 0.000 0.795 21 L N 4.058 125.247 121.223 -0.056 0.000 2.361 21 L HA 0.145 4.484 4.340 -0.000 0.000 0.278 21 L C 1.199 177.980 176.870 -0.149 0.000 1.113 21 L CA 0.070 54.861 54.840 -0.083 0.000 0.849 21 L CB -0.082 41.927 42.059 -0.083 0.000 1.155 21 L HN 0.191 nan 8.230 nan 0.000 0.452 22 K N 3.425 123.675 120.400 -0.250 0.000 2.262 22 K HA 0.097 4.417 4.320 -0.000 0.000 0.282 22 K C 0.766 177.061 176.600 -0.508 0.000 1.066 22 K CA -0.544 55.507 56.287 -0.394 0.000 0.901 22 K CB 1.520 33.631 32.500 -0.648 0.000 1.089 22 K HN 0.409 nan 8.250 nan 0.000 0.476 23 L N 5.458 126.511 121.223 -0.283 0.000 2.042 23 L HA -0.191 4.149 4.340 -0.000 0.000 0.210 23 L C 1.969 178.727 176.870 -0.187 0.000 1.076 23 L CA 1.709 56.427 54.840 -0.203 0.000 0.749 23 L CB -0.440 41.574 42.059 -0.076 0.000 0.893 23 L HN 0.857 nan 8.230 nan 0.000 0.432 24 W N -1.898 119.352 121.300 -0.083 0.000 2.338 24 W HA -0.216 4.444 4.660 -0.000 0.000 0.304 24 W C 2.132 178.571 176.519 -0.133 0.000 1.212 24 W CA 1.000 58.288 57.345 -0.096 0.000 1.264 24 W CB -1.589 27.809 29.460 -0.104 0.000 1.142 24 W HN 0.282 nan 8.180 nan 0.000 0.512 25 S N 1.206 116.365 115.700 -0.901 0.000 2.371 25 S HA -0.114 4.355 4.470 -0.000 0.000 0.224 25 S C 1.973 176.320 174.600 -0.421 0.000 1.029 25 S CA 1.638 59.407 58.200 -0.719 0.000 0.978 25 S CB -0.488 62.119 63.200 -0.987 0.000 0.833 25 S HN 0.107 nan 8.310 nan 0.000 0.466 26 V N 2.368 121.877 119.914 -0.675 0.000 2.332 26 V HA -0.173 3.947 4.120 -0.000 0.000 0.248 26 V C 2.293 178.295 176.094 -0.153 0.000 1.055 26 V CA 1.662 63.567 62.300 -0.658 0.000 1.038 26 V CB -0.696 30.834 31.823 -0.488 0.000 0.651 26 V HN 0.469 nan 8.190 nan 0.000 0.450 27 L N -0.567 120.628 121.223 -0.047 0.000 2.046 27 L HA -0.135 4.205 4.340 -0.000 0.000 0.208 27 L C 2.482 179.397 176.870 0.076 0.000 1.077 27 L CA 1.076 55.962 54.840 0.076 0.000 0.747 27 L CB -0.616 41.505 42.059 0.102 0.000 0.896 27 L HN 0.213 nan 8.230 nan 0.000 0.432 28 V N -0.494 119.455 119.914 0.057 0.000 2.343 28 V HA -0.273 3.846 4.120 -0.000 0.000 0.247 28 V C 2.550 178.715 176.094 0.118 0.000 1.051 28 V CA 2.285 64.649 62.300 0.107 0.000 1.036 28 V CB -0.705 31.140 31.823 0.037 0.000 0.654 28 V HN 0.481 nan 8.190 nan 0.000 0.451 29 T N -1.235 113.373 114.554 0.089 0.000 2.708 29 T HA -0.255 4.095 4.350 -0.000 0.000 0.266 29 T C 1.981 176.722 174.700 0.068 0.000 1.037 29 T CA 1.811 63.981 62.100 0.117 0.000 1.146 29 T CB -0.587 68.397 68.868 0.193 0.000 0.865 29 T HN 0.628 nan 8.240 nan 0.000 0.435 30 C N 1.304 120.605 119.300 0.001 0.000 2.413 30 C HA -0.032 4.428 4.460 -0.000 0.000 0.278 30 C C 2.647 177.653 174.990 0.027 0.000 1.224 30 C CA 0.704 59.669 59.018 -0.088 0.000 1.732 30 C CB -1.511 26.111 27.740 -0.198 0.000 2.050 30 C HN 0.560 nan 8.230 nan 0.000 0.463 31 L N 1.004 122.279 121.223 0.087 0.000 2.042 31 L HA 0.004 4.343 4.340 -0.000 0.000 0.210 31 L C 2.903 179.852 176.870 0.133 0.000 1.076 31 L CA 1.796 56.712 54.840 0.128 0.000 0.749 31 L CB -1.117 41.037 42.059 0.158 0.000 0.893 31 L HN 0.615 nan 8.230 nan 0.000 0.432 32 G N -0.464 108.425 108.800 0.149 0.000 2.418 32 G HA2 -0.333 3.627 3.960 -0.000 0.000 0.217 32 G HA3 -0.333 3.627 3.960 -0.000 0.000 0.217 32 G C 1.205 176.200 174.900 0.159 0.000 1.158 32 G CA 1.105 46.306 45.100 0.167 0.000 0.771 32 G HN 0.366 nan 8.290 nan 0.000 0.545 33 D N 0.010 120.506 120.400 0.161 0.000 2.117 33 D HA -0.133 4.507 4.640 -0.000 0.000 0.197 33 D C 2.841 179.190 176.300 0.081 0.000 0.987 33 D CA 1.695 55.790 54.000 0.158 0.000 0.829 33 D CB -0.124 40.758 40.800 0.137 0.000 0.961 33 D HN 0.249 nan 8.370 nan 0.000 0.460 34 V N -1.878 118.090 119.914 0.089 0.000 2.427 34 V HA -0.112 4.008 4.120 -0.000 0.000 0.248 34 V C 2.139 178.272 176.094 0.066 0.000 1.051 34 V CA 1.889 64.247 62.300 0.097 0.000 1.048 34 V CB -0.738 31.172 31.823 0.145 0.000 0.666 34 V HN 0.046 nan 8.190 nan 0.000 0.456 35 S N 0.491 116.232 115.700 0.068 0.000 2.423 35 S HA -0.120 4.349 4.470 -0.000 0.000 0.231 35 S C 2.013 176.626 174.600 0.022 0.000 1.014 35 S CA 1.732 59.962 58.200 0.051 0.000 0.965 35 S CB -0.510 62.732 63.200 0.070 0.000 0.785 35 S HN 0.798 nan 8.310 nan 0.000 0.495 36 R N 1.995 122.496 120.500 0.002 0.000 2.081 36 R HA -0.144 4.196 4.340 -0.000 0.000 0.235 36 R C 0.497 176.760 176.300 -0.062 0.000 1.131 36 R CA 2.080 58.143 56.100 -0.062 0.000 0.960 36 R CB -0.294 29.906 30.300 -0.167 0.000 0.856 36 R HN 0.451 nan 8.270 nan 0.000 0.436 37 D N -2.103 118.276 120.400 -0.035 0.000 2.427 37 D HA 0.263 4.903 4.640 -0.000 0.000 0.224 37 D C 0.808 177.107 176.300 -0.002 0.000 1.157 37 D CA 0.330 54.318 54.000 -0.022 0.000 0.828 37 D CB 1.188 41.977 40.800 -0.019 0.000 0.974 37 D HN 0.429 nan 8.370 nan 0.000 0.498 38 G N -0.274 108.527 108.800 0.001 0.000 2.339 38 G HA2 -0.277 3.682 3.960 -0.000 0.000 0.209 38 G HA3 -0.277 3.682 3.960 -0.000 0.000 0.209 38 G C 0.332 175.238 174.900 0.009 0.000 1.015 38 G CA -0.166 44.935 45.100 0.003 0.000 0.635 38 G HN 0.314 nan 8.290 nan 0.000 0.499 39 V N 4.401 124.330 119.914 0.024 0.000 2.324 39 V HA 0.155 4.274 4.120 -0.000 0.000 0.244 39 V C 2.002 178.119 176.094 0.038 0.000 1.144 39 V CA 0.114 62.433 62.300 0.032 0.000 1.158 39 V CB 0.134 31.988 31.823 0.053 0.000 1.254 39 V HN 0.364 nan 8.190 nan 0.000 0.492 40 I N 3.159 123.740 120.570 0.019 0.000 2.315 40 I HA -0.047 4.123 4.170 -0.000 0.000 0.248 40 I C 1.221 177.365 176.117 0.046 0.000 1.117 40 I CA 1.150 62.464 61.300 0.024 0.000 1.404 40 I CB -0.513 37.489 38.000 0.004 0.000 1.071 40 I HN 0.787 nan 8.210 nan 0.000 0.419 41 E N 0.282 120.509 120.200 0.044 0.000 2.331 41 E HA 0.559 4.909 4.350 -0.000 0.000 0.275 41 E C -1.374 175.326 176.600 0.166 0.000 0.895 41 E CA -0.655 55.806 56.400 0.102 0.000 0.753 41 E CB 2.540 32.293 29.700 0.088 0.000 1.216 41 E HN -0.177 nan 8.360 nan 0.000 0.434 42 V N 2.034 122.081 119.914 0.222 0.000 2.483 42 V HA 0.313 4.432 4.120 -0.000 0.000 0.295 42 V C 0.402 176.660 176.094 0.272 0.000 1.035 42 V CA -0.677 61.754 62.300 0.218 0.000 0.896 42 V CB 1.458 33.374 31.823 0.156 0.000 0.986 42 V HN 0.854 nan 8.190 nan 0.000 0.447 43 S N 3.370 119.187 115.700 0.195 0.000 2.579 43 S HA 0.235 4.705 4.470 -0.000 0.000 0.275 43 S C 1.474 176.074 174.600 0.000 0.000 1.345 43 S CA 0.136 58.264 58.200 -0.119 0.000 1.031 43 S CB 1.286 64.385 63.200 -0.168 0.000 0.892 43 S HN 1.089 nan 8.310 nan 0.000 0.529 44 G N 0.902 109.684 108.800 -0.030 0.000 2.432 44 G HA2 -0.158 3.801 3.960 -0.000 0.000 0.219 44 G HA3 -0.158 3.801 3.960 -0.000 0.000 0.219 44 G C 1.256 176.181 174.900 0.041 0.000 1.135 44 G CA 0.729 45.910 45.100 0.136 0.000 0.767 44 G HN 0.791 nan 8.290 nan 0.000 0.550 45 V N 0.895 120.797 119.914 -0.019 0.000 2.453 45 V HA 0.132 4.252 4.120 -0.000 0.000 0.247 45 V C 3.069 179.165 176.094 0.003 0.000 1.048 45 V CA 2.190 64.483 62.300 -0.012 0.000 1.049 45 V CB -0.324 31.480 31.823 -0.031 0.000 0.672 45 V HN 0.410 nan 8.190 nan 0.000 0.457 46 A N -0.448 122.370 122.820 -0.004 0.000 1.930 46 A HA -0.108 4.212 4.320 -0.000 0.000 0.217 46 A C 2.067 179.664 177.584 0.020 0.000 1.175 46 A CA 1.865 53.889 52.037 -0.022 0.000 0.627 46 A CB -0.618 18.351 19.000 -0.051 0.000 0.815 46 A HN 0.496 nan 8.150 nan 0.000 0.443 47 L N -0.405 120.864 121.223 0.076 0.000 2.093 47 L HA -0.064 4.276 4.340 -0.000 0.000 0.208 47 L C 2.699 179.682 176.870 0.189 0.000 1.085 47 L CA 2.209 57.147 54.840 0.164 0.000 0.755 47 L CB -0.702 41.444 42.059 0.145 0.000 0.904 47 L HN 0.368 nan 8.230 nan 0.000 0.435 48 S N -1.354 114.404 115.700 0.097 0.000 2.382 48 S HA -0.158 4.311 4.470 -0.000 0.000 0.228 48 S C 2.231 176.865 174.600 0.057 0.000 1.027 48 S CA 1.446 59.682 58.200 0.059 0.000 0.991 48 S CB -0.281 62.935 63.200 0.028 0.000 0.823 48 S HN 0.737 nan 8.310 nan 0.000 0.469 49 S N 0.419 116.161 115.700 0.071 0.000 2.406 49 S HA -0.068 4.402 4.470 -0.000 0.000 0.228 49 S C 1.671 176.340 174.600 0.115 0.000 1.020 49 S CA 0.916 59.154 58.200 0.064 0.000 0.965 49 S CB -0.835 62.390 63.200 0.042 0.000 0.798 49 S HN 0.614 nan 8.310 nan 0.000 0.488 50 F N 3.073 123.048 119.950 0.042 0.000 2.113 50 F HA 0.032 4.559 4.527 -0.000 0.000 0.297 50 F C 2.129 177.974 175.800 0.075 0.000 1.103 50 F CA 1.137 59.206 58.000 0.116 0.000 1.248 50 F CB -0.745 38.396 39.000 0.235 0.000 0.999 50 F HN 0.065 nan 8.300 nan 0.000 0.475 51 V N 0.799 120.594 119.914 -0.199 0.000 2.407 51 V HA -0.289 3.831 4.120 -0.000 0.000 0.248 51 V C 2.341 178.312 176.094 -0.204 0.000 1.055 51 V CA 2.335 64.459 62.300 -0.294 0.000 1.049 51 V CB -0.751 31.012 31.823 -0.101 0.000 0.662 51 V HN 0.390 nan 8.190 nan 0.000 0.455 52 E N -0.469 119.670 120.200 -0.101 0.000 2.072 52 E HA -0.139 4.211 4.350 -0.000 0.000 0.191 52 E C 1.564 178.118 176.600 -0.075 0.000 0.985 52 E CA 0.317 56.676 56.400 -0.069 0.000 0.801 52 E CB 0.018 29.700 29.700 -0.029 0.000 0.750 52 E HN 0.296 nan 8.360 nan 0.000 0.452 56 L N 0.445 121.610 121.223 -0.096 0.000 2.365 56 L HA 0.646 4.986 4.340 -0.000 0.000 0.267 56 L C 0.177 177.009 176.870 -0.063 0.000 1.033 56 L CA -1.181 53.610 54.840 -0.082 0.000 0.802 56 L CB 1.016 43.012 42.059 -0.105 0.000 1.267 56 L HN -0.117 nan 8.230 nan 0.000 0.457 57 Q N 0.834 120.606 119.800 -0.047 0.000 2.259 57 Q HA 0.238 4.578 4.340 -0.000 0.000 0.246 57 Q C -1.759 174.224 176.000 -0.029 0.000 0.920 57 Q CA -1.871 53.913 55.803 -0.033 0.000 0.895 57 Q CB 1.326 30.050 28.738 -0.024 0.000 1.220 57 Q HN 0.260 nan 8.270 nan 0.000 0.439 58 P HA -0.160 nan 4.420 nan 0.000 0.222 58 P C 1.020 178.315 177.300 -0.009 0.000 1.147 58 P CA 0.973 64.065 63.100 -0.013 0.000 0.790 58 P CB 0.460 32.155 31.700 -0.008 0.000 0.780 59 Q N 1.007 120.802 119.800 -0.010 0.000 2.096 59 Q HA -0.094 4.246 4.340 -0.000 0.000 0.204 59 Q C 1.021 177.019 176.000 -0.003 0.000 0.982 59 Q CA 1.291 57.090 55.803 -0.007 0.000 0.850 59 Q CB -1.275 27.457 28.738 -0.009 0.000 0.901 59 Q HN 0.147 nan 8.270 nan 0.000 0.422 63 V N -0.321 119.621 119.914 0.045 0.000 2.490 63 V HA 0.019 4.138 4.120 -0.000 0.000 0.250 63 V C 2.015 178.171 176.094 0.103 0.000 1.061 63 V CA 2.182 64.521 62.300 0.064 0.000 1.064 63 V CB -0.655 31.187 31.823 0.033 0.000 0.670 63 V HN 0.333 nan 8.190 nan 0.000 0.461 64 A N 0.598 123.475 122.820 0.094 0.000 1.897 64 A HA 0.078 4.398 4.320 -0.000 0.000 0.215 64 A C 2.221 179.870 177.584 0.108 0.000 1.181 64 A CA 1.860 53.975 52.037 0.130 0.000 0.620 64 A CB -0.616 18.458 19.000 0.124 0.000 0.821 64 A HN 0.566 nan 8.150 nan 0.000 0.443 65 L N -1.342 119.919 121.223 0.063 0.000 2.141 65 L HA -0.165 4.174 4.340 -0.000 0.000 0.209 65 L C 2.687 179.597 176.870 0.066 0.000 1.094 65 L CA 1.369 56.228 54.840 0.032 0.000 0.763 65 L CB -0.585 41.424 42.059 -0.084 0.000 0.908 65 L HN 0.586 nan 8.230 nan 0.000 0.437 66 H N 0.585 119.669 119.070 0.022 0.000 2.326 66 H HA -0.160 4.396 4.556 -0.000 0.000 0.301 66 H C 2.411 177.751 175.328 0.019 0.000 1.081 66 H CA 1.631 57.694 56.048 0.026 0.000 1.334 66 H CB 0.177 29.949 29.762 0.017 0.000 1.385 66 H HN 0.200 nan 8.280 nan 0.000 0.504 67 R N 0.547 121.103 120.500 0.092 0.000 2.080 67 R HA -0.124 4.216 4.340 -0.000 0.000 0.236 67 R C 2.710 178.978 176.300 -0.054 0.000 1.137 67 R CA 1.593 57.691 56.100 -0.002 0.000 0.943 67 R CB -0.344 29.923 30.300 -0.054 0.000 0.846 67 R HN 0.330 nan 8.270 nan 0.000 0.431 68 L N 0.534 121.759 121.223 0.003 0.000 2.131 68 L HA -0.169 4.171 4.340 -0.000 0.000 0.210 68 L C 2.549 179.485 176.870 0.109 0.000 1.092 68 L CA 1.383 56.278 54.840 0.092 0.000 0.759 68 L CB -0.308 41.842 42.059 0.151 0.000 0.903 68 L HN 0.215 nan 8.230 nan 0.000 0.435 69 K N 0.485 120.892 120.400 0.012 0.000 1.973 69 K HA -0.186 4.134 4.320 -0.000 0.000 0.210 69 K C 2.184 178.752 176.600 -0.053 0.000 1.045 69 K CA 1.765 58.042 56.287 -0.018 0.000 0.937 69 K CB -0.179 32.272 32.500 -0.082 0.000 0.721 69 K HN 0.311 nan 8.250 nan 0.000 0.438 70 R N 0.952 121.361 120.500 -0.152 0.000 2.105 70 R HA -0.127 4.213 4.340 -0.000 0.000 0.239 70 R C 0.849 177.128 176.300 -0.036 0.000 1.135 70 R CA 2.014 58.045 56.100 -0.116 0.000 0.967 70 R CB -0.377 29.827 30.300 -0.159 0.000 0.861 70 R HN 0.080 nan 8.270 nan 0.000 0.442 71 D N 0.190 120.598 120.400 0.013 0.000 2.336 71 D HA 0.112 4.752 4.640 -0.000 0.000 0.229 71 D C 0.791 177.145 176.300 0.090 0.000 1.061 71 D CA 1.007 55.060 54.000 0.088 0.000 0.875 71 D CB 0.423 41.318 40.800 0.158 0.000 0.904 71 D HN 0.563 nan 8.370 nan 0.000 0.525 72 G N 0.189 109.009 108.800 0.034 0.000 2.225 72 G HA2 -0.303 3.657 3.960 -0.000 0.000 0.267 72 G HA3 -0.303 3.657 3.960 -0.000 0.000 0.267 72 G C 0.698 175.538 174.900 -0.101 0.000 1.024 72 G CA 0.347 45.420 45.100 -0.046 0.000 0.784 72 G HN 0.358 nan 8.290 nan 0.000 0.507 73 W N -1.515 119.790 121.300 0.007 0.000 2.630 73 W HA 0.571 5.231 4.660 -0.000 0.000 0.271 73 W C 1.299 177.854 176.519 0.060 0.000 1.244 73 W CA 0.693 58.063 57.345 0.041 0.000 1.353 73 W CB 0.531 30.026 29.460 0.060 0.000 1.080 73 W HN 0.274 nan 8.180 nan 0.000 0.594 74 V N 0.752 120.825 119.914 0.265 0.000 2.864 74 V HA 0.391 4.511 4.120 -0.000 0.000 0.314 74 V C -0.847 175.332 176.094 0.142 0.000 1.073 74 V CA -0.869 61.554 62.300 0.205 0.000 0.956 74 V CB 2.126 34.078 31.823 0.215 0.000 1.023 74 V HN -0.176 nan 8.190 nan 0.000 0.435 75 E N 2.146 122.429 120.200 0.138 0.000 2.238 75 E HA 0.661 5.011 4.350 -0.000 0.000 0.267 75 E C -1.377 175.303 176.600 0.134 0.000 0.887 75 E CA -0.483 55.981 56.400 0.107 0.000 0.769 75 E CB 2.235 31.977 29.700 0.070 0.000 1.187 75 E HN 0.623 nan 8.360 nan 0.000 0.416 76 S N 1.678 117.443 115.700 0.109 0.000 2.538 76 S HA 0.492 4.962 4.470 -0.000 0.000 0.288 76 S C -0.706 173.916 174.600 0.038 0.000 1.108 76 S CA -0.725 57.525 58.200 0.083 0.000 0.971 76 S CB 1.583 64.886 63.200 0.172 0.000 1.041 76 S HN 0.336 nan 8.310 nan 0.000 0.483 77 R N 1.074 121.580 120.500 0.010 0.000 2.711 77 R HA 0.603 4.943 4.340 -0.000 0.000 0.284 77 R C -0.777 175.552 176.300 0.049 0.000 0.968 77 R CA -0.808 55.324 56.100 0.053 0.000 0.924 77 R CB 1.624 31.989 30.300 0.108 0.000 1.162 77 R HN 0.502 nan 8.270 nan 0.000 0.465 78 R N 3.266 123.804 120.500 0.064 0.000 2.473 78 R HA 0.336 4.675 4.340 -0.000 0.000 0.303 78 R C -1.325 175.028 176.300 0.088 0.000 1.002 78 R CA -0.371 55.760 56.100 0.051 0.000 0.884 78 R CB 0.806 31.120 30.300 0.024 0.000 1.173 78 R HN 0.424 nan 8.270 nan 0.000 0.464 79 L N 5.397 126.712 121.223 0.152 0.000 2.335 79 L HA 0.515 4.854 4.340 -0.000 0.000 0.268 79 L C 0.986 177.924 176.870 0.113 0.000 1.037 79 L CA -0.258 54.672 54.840 0.151 0.000 0.895 79 L CB 1.231 43.422 42.059 0.219 0.000 1.266 79 L HN 1.019 nan 8.230 nan 0.000 0.439 80 G N 2.607 111.445 108.800 0.063 0.000 2.523 80 G HA2 -0.329 3.631 3.960 -0.000 0.000 0.271 80 G HA3 -0.329 3.631 3.960 -0.000 0.000 0.271 80 G C 0.629 175.542 174.900 0.022 0.000 1.146 80 G CA 0.191 45.315 45.100 0.040 0.000 0.961 80 G HN 0.591 nan 8.290 nan 0.000 0.549 81 R N -0.306 120.199 120.500 0.009 0.000 2.334 81 R HA 0.403 4.743 4.340 -0.000 0.000 0.216 81 R C 0.387 176.658 176.300 -0.048 0.000 0.905 81 R CA 0.351 56.444 56.100 -0.011 0.000 1.064 81 R CB 0.480 30.776 30.300 -0.007 0.000 1.046 81 R HN 0.315 nan 8.270 nan 0.000 0.508 82 V N 0.549 120.417 119.914 -0.076 0.000 2.439 82 V HA 0.438 4.558 4.120 -0.000 0.000 0.282 82 V C 0.658 176.540 176.094 -0.352 0.000 1.039 82 V CA -0.943 61.213 62.300 -0.240 0.000 0.913 82 V CB 1.483 33.120 31.823 -0.310 0.000 0.983 82 V HN 0.185 nan 8.190 nan 0.000 0.460 83 G N 3.135 111.674 108.800 -0.435 0.000 2.348 83 G HA2 0.647 4.607 3.960 -0.000 0.000 0.312 83 G HA3 0.647 4.607 3.960 -0.000 0.000 0.312 83 G C -1.255 173.145 174.900 -0.833 0.000 1.126 83 G CA -0.240 44.601 45.100 -0.432 0.000 0.865 83 G HN 0.421 nan 8.290 nan 0.000 0.474 84 F N 1.978 121.654 119.950 -0.457 0.000 2.477 84 F HA 0.383 4.910 4.527 -0.000 0.000 0.335 84 F C 0.333 175.813 175.800 -0.535 0.000 1.130 84 F CA -0.812 56.949 58.000 -0.398 0.000 0.948 84 F CB 1.868 40.772 39.000 -0.160 0.000 1.154 84 F HN 0.358 nan 8.300 nan 0.000 0.439 85 H N 3.115 122.306 119.070 0.201 0.000 2.492 85 H HA 0.777 5.333 4.556 -0.000 0.000 0.345 85 H C -0.403 175.013 175.328 0.147 0.000 1.136 85 H CA -0.894 55.242 56.048 0.146 0.000 1.202 85 H CB 2.370 32.200 29.762 0.114 0.000 1.524 85 H HN 0.728 nan 8.280 nan 0.000 0.506 86 R N 1.565 122.199 120.500 0.224 0.000 2.734 86 R HA 0.442 4.782 4.340 -0.000 0.000 0.271 86 R C -1.415 174.985 176.300 0.167 0.000 1.021 86 R CA -0.929 55.273 56.100 0.169 0.000 0.893 86 R CB 1.205 31.573 30.300 0.114 0.000 1.244 86 R HN 0.343 nan 8.270 nan 0.000 0.464 87 L N 2.317 123.635 121.223 0.158 0.000 2.461 87 L HA 0.176 4.516 4.340 -0.000 0.000 0.272 87 L C 0.712 177.649 176.870 0.112 0.000 1.197 87 L CA -0.269 54.673 54.840 0.170 0.000 0.836 87 L CB 1.212 43.382 42.059 0.186 0.000 1.105 87 L HN 0.928 nan 8.230 nan 0.000 0.477 88 S N 0.461 116.216 115.700 0.091 0.000 2.589 88 S HA 0.031 4.500 4.470 -0.000 0.000 0.265 88 S C 0.614 175.213 174.600 -0.002 0.000 1.342 88 S CA -0.772 57.444 58.200 0.028 0.000 1.005 88 S CB 0.974 64.166 63.200 -0.014 0.000 0.909 88 S HN 0.582 nan 8.310 nan 0.000 0.555 89 D N 1.441 121.832 120.400 -0.016 0.000 2.133 89 D HA -0.134 4.506 4.640 -0.000 0.000 0.195 89 D C 2.140 178.410 176.300 -0.050 0.000 0.997 89 D CA 1.801 55.787 54.000 -0.023 0.000 0.840 89 D CB -0.843 39.944 40.800 -0.023 0.000 0.947 89 D HN 0.632 nan 8.370 nan 0.000 0.452 90 S N 0.373 116.017 115.700 -0.094 0.000 2.359 90 S HA -0.173 4.297 4.470 -0.000 0.000 0.224 90 S C 2.074 176.549 174.600 -0.208 0.000 1.035 90 S CA 1.840 59.945 58.200 -0.158 0.000 1.018 90 S CB -0.253 62.818 63.200 -0.214 0.000 0.876 90 S HN 0.238 nan 8.310 nan 0.000 0.448 91 A N 1.236 123.923 122.820 -0.221 0.000 1.930 91 A HA 0.181 4.501 4.320 -0.000 0.000 0.217 91 A C 2.315 179.909 177.584 0.018 0.000 1.175 91 A CA 1.307 53.241 52.037 -0.172 0.000 0.627 91 A CB -0.769 18.244 19.000 0.022 0.000 0.815 91 A HN 0.582 nan 8.150 nan 0.000 0.443 92 L N -0.010 121.230 121.223 0.029 0.000 2.017 92 L HA -0.178 4.162 4.340 -0.000 0.000 0.208 92 L C 3.063 179.957 176.870 0.040 0.000 1.073 92 L CA 1.917 56.790 54.840 0.055 0.000 0.745 92 L CB -0.986 41.099 42.059 0.044 0.000 0.894 92 L HN 0.638 nan 8.230 nan 0.000 0.432 93 T N -3.292 111.266 114.554 0.007 0.000 2.788 93 T HA -0.282 4.068 4.350 -0.000 0.000 0.268 93 T C 1.816 176.525 174.700 0.016 0.000 1.044 93 T CA 1.360 63.463 62.100 0.005 0.000 1.139 93 T CB -0.288 68.572 68.868 -0.014 0.000 0.867 93 T HN 0.330 nan 8.240 nan 0.000 0.454 94 Q N 0.403 120.205 119.800 0.004 0.000 2.119 94 Q HA -0.089 4.251 4.340 -0.000 0.000 0.201 94 Q C 2.356 178.413 176.000 0.095 0.000 0.972 94 Q CA 1.617 57.438 55.803 0.030 0.000 0.847 94 Q CB -0.291 28.435 28.738 -0.020 0.000 0.903 94 Q HN 0.572 nan 8.270 nan 0.000 0.433 95 T N 0.075 114.704 114.554 0.125 0.000 2.777 95 T HA -0.112 4.238 4.350 -0.000 0.000 0.266 95 T C 1.683 176.468 174.700 0.141 0.000 1.040 95 T CA 1.086 63.285 62.100 0.165 0.000 1.141 95 T CB -0.117 68.862 68.868 0.185 0.000 0.868 95 T HN 0.236 nan 8.240 nan 0.000 0.444 96 R N 0.524 121.085 120.500 0.102 0.000 2.148 96 R HA 0.072 4.412 4.340 -0.000 0.000 0.227 96 R C 2.445 178.792 176.300 0.079 0.000 1.103 96 R CA 0.987 57.137 56.100 0.084 0.000 0.983 96 R CB -0.249 30.083 30.300 0.052 0.000 0.874 96 R HN 0.344 nan 8.270 nan 0.000 0.451 97 A N 0.138 123.000 122.820 0.070 0.000 2.121 97 A HA -0.070 4.250 4.320 -0.000 0.000 0.218 97 A C 1.775 179.401 177.584 0.070 0.000 1.154 97 A CA 1.405 53.477 52.037 0.058 0.000 0.679 97 A CB 0.014 19.042 19.000 0.046 0.000 0.795 97 A HN 0.291 nan 8.150 nan 0.000 0.458 98 V N -4.674 115.296 119.914 0.093 0.000 3.528 98 V HA 0.526 4.645 4.120 -0.000 0.000 0.294 98 V C 1.939 178.115 176.094 0.137 0.000 1.404 98 V CA 0.490 62.846 62.300 0.093 0.000 1.065 98 V CB -0.714 31.153 31.823 0.074 0.000 0.904 98 V HN 0.375 nan 8.190 nan 0.000 0.435 99 A N 2.244 125.175 122.820 0.185 0.000 1.884 99 A HA -0.109 4.211 4.320 -0.000 0.000 0.219 99 A C 2.323 180.082 177.584 0.292 0.000 1.197 99 A CA 2.633 54.852 52.037 0.302 0.000 0.637 99 A CB -1.448 17.668 19.000 0.194 0.000 0.827 99 A HN 0.804 nan 8.150 nan 0.000 0.450 100 G N -1.018 107.885 108.800 0.171 0.000 2.422 100 G HA2 -0.222 3.737 3.960 -0.000 0.000 0.218 100 G HA3 -0.222 3.737 3.960 -0.000 0.000 0.218 100 G C 1.676 176.657 174.900 0.134 0.000 1.146 100 G CA 1.278 46.462 45.100 0.139 0.000 0.769 100 G HN 0.559 nan 8.290 nan 0.000 0.547 101 R N 0.386 120.952 120.500 0.109 0.000 2.092 101 R HA 0.133 4.473 4.340 -0.000 0.000 0.231 101 R C 2.333 178.700 176.300 0.111 0.000 1.119 101 R CA 1.123 57.271 56.100 0.079 0.000 0.970 101 R CB -0.484 29.834 30.300 0.030 0.000 0.864 101 R HN 0.446 nan 8.270 nan 0.000 0.440 102 I N -1.299 119.333 120.570 0.102 0.000 2.270 102 I HA -0.138 4.032 4.170 -0.000 0.000 0.239 102 I C 1.429 177.658 176.117 0.186 0.000 1.080 102 I CA 1.058 62.405 61.300 0.078 0.000 1.383 102 I CB -0.227 37.652 38.000 -0.202 0.000 1.097 102 I HN 0.090 nan 8.210 nan 0.000 0.420 103 Y N 1.006 121.437 120.300 0.218 0.000 2.490 103 Y HA 0.256 4.806 4.550 -0.000 0.000 0.285 103 Y C 1.839 177.801 175.900 0.102 0.000 1.117 103 Y CA -0.071 58.123 58.100 0.158 0.000 1.262 103 Y CB -0.827 37.703 38.460 0.116 0.000 1.043 103 Y HN 0.022 nan 8.280 nan 0.000 0.553 104 G N 1.452 110.391 108.800 0.231 0.000 2.684 104 G HA2 0.087 4.047 3.960 -0.000 0.000 0.255 104 G HA3 0.087 4.047 3.960 -0.000 0.000 0.255 104 G C -1.423 173.503 174.900 0.043 0.000 1.219 104 G CA -0.767 44.404 45.100 0.119 0.000 0.901 104 G HN 0.042 nan 8.290 nan 0.000 0.548 105 P HA 0.134 nan 4.420 nan 0.000 0.233 105 P C 0.929 178.207 177.300 -0.036 0.000 1.167 105 P CA 1.214 64.271 63.100 -0.072 0.000 0.770 105 P CB 0.067 31.724 31.700 -0.073 0.000 0.837 106 G N -0.131 108.678 108.800 0.014 0.000 2.699 106 G HA2 -0.009 3.951 3.960 -0.000 0.000 0.686 106 G HA3 -0.009 3.951 3.960 -0.000 0.000 0.686 106 G C 0.693 175.602 174.900 0.014 0.000 1.301 106 G CA -0.391 44.727 45.100 0.028 0.000 0.816 106 G HN 0.228 nan 8.290 nan 0.000 0.595 107 A N 0.291 123.122 122.820 0.019 0.000 2.206 107 A HA 0.566 4.886 4.320 -0.000 0.000 0.211 107 A C 2.774 180.365 177.584 0.013 0.000 1.158 107 A CA 2.082 54.130 52.037 0.019 0.000 0.761 107 A CB -0.887 18.131 19.000 0.030 0.000 0.801 107 A HN 3.007 nan 8.150 nan 0.000 0.473 108 G N 0.144 108.945 108.800 0.002 0.000 2.596 108 G HA2 -0.275 3.685 3.960 -0.000 0.000 0.295 108 G HA3 -0.275 3.685 3.960 -0.000 0.000 0.295 108 G C -2.227 172.678 174.900 0.009 0.000 1.240 108 G CA 0.165 45.264 45.100 -0.003 0.000 0.985 108 G HN 0.549 nan 8.290 nan 0.000 0.555 109 P HA 0.585 nan 4.420 nan 0.000 0.241 109 P C -0.201 177.118 177.300 0.031 0.000 1.780 109 P CA 0.552 63.666 63.100 0.023 0.000 1.111 109 P CB 0.547 32.255 31.700 0.013 0.000 1.852 110 A N 5.495 128.345 122.820 0.050 0.000 2.327 110 A HA 0.628 4.947 4.320 -0.000 0.000 0.283 110 A C -2.047 175.590 177.584 0.088 0.000 1.127 110 A CA -1.429 50.645 52.037 0.062 0.000 0.810 110 A CB -0.298 18.744 19.000 0.069 0.000 1.066 110 A HN 0.295 nan 8.150 nan 0.000 0.492 111 P HA 0.314 nan 4.420 nan 0.000 0.282 111 P C -0.598 176.780 177.300 0.130 0.000 1.249 111 P CA -0.222 62.885 63.100 0.012 0.000 0.806 111 P CB 0.663 32.344 31.700 -0.031 0.000 0.984 112 W N 1.864 123.146 121.300 -0.030 0.000 2.736 112 W HA 0.607 5.267 4.660 -0.000 0.000 0.355 112 W C -1.419 175.022 176.519 -0.131 0.000 1.102 112 W CA -0.710 56.636 57.345 0.002 0.000 1.164 112 W CB 0.431 29.883 29.460 -0.013 0.000 1.422 112 W HN 0.423 nan 8.180 nan 0.000 0.572 113 H N 0.242 119.537 119.070 0.375 0.000 2.977 113 H HA 0.576 5.132 4.556 -0.000 0.000 0.350 113 H C -1.347 174.235 175.328 0.424 0.000 1.238 113 H CA -0.846 55.345 56.048 0.238 0.000 1.124 113 H CB 2.469 32.289 29.762 0.097 0.000 1.866 113 H HN 0.375 nan 8.280 nan 0.000 0.550 114 L N 1.229 122.741 121.223 0.482 0.000 2.341 114 L HA 0.809 5.149 4.340 -0.000 0.000 0.278 114 L C -0.985 176.128 176.870 0.404 0.000 1.005 114 L CA -0.395 54.713 54.840 0.448 0.000 0.818 114 L CB 1.173 43.504 42.059 0.452 0.000 1.259 114 L HN 0.733 nan 8.230 nan 0.000 0.418 115 A N 3.456 126.506 122.820 0.383 0.000 2.330 115 A HA 0.867 5.187 4.320 -0.000 0.000 0.313 115 A C -0.176 177.538 177.584 0.217 0.000 1.124 115 A CA 0.054 52.311 52.037 0.367 0.000 0.774 115 A CB 1.114 20.313 19.000 0.332 0.000 1.198 115 A HN 0.862 nan 8.150 nan 0.000 0.465 119 P HA -0.099 nan 4.420 nan 0.000 0.218 119 P C 0.938 178.183 177.300 -0.091 0.000 1.149 119 P CA 1.338 64.374 63.100 -0.107 0.000 0.817 119 P CB 0.141 31.803 31.700 -0.064 0.000 0.785 120 D N 0.133 120.482 120.400 -0.086 0.000 2.178 120 D HA -0.073 4.567 4.640 -0.000 0.000 0.202 120 D C 0.703 176.964 176.300 -0.065 0.000 0.974 120 D CA 0.455 54.417 54.000 -0.062 0.000 0.841 120 D CB -0.406 40.366 40.800 -0.047 0.000 0.953 120 D HN 0.078 nan 8.370 nan 0.000 0.478 121 A N 2.378 125.138 122.820 -0.100 0.000 2.415 121 A HA 0.324 4.644 4.320 -0.000 0.000 0.309 121 A C -1.230 176.299 177.584 -0.091 0.000 1.356 121 A CA -1.132 50.852 52.037 -0.089 0.000 0.998 121 A CB 0.789 19.721 19.000 -0.113 0.000 1.145 121 A HN 0.064 nan 8.150 nan 0.000 0.545 122 P HA -0.040 nan 4.420 nan 0.000 0.217 122 P C 0.264 177.555 177.300 -0.014 0.000 1.154 122 P CA 0.929 64.008 63.100 -0.036 0.000 0.841 122 P CB 0.232 31.921 31.700 -0.019 0.000 0.790 123 D N 0.000 120.405 120.400 0.008 0.000 3.134 123 D HA 0.189 4.829 4.640 -0.000 0.000 0.248 123 D C 1.671 178.017 176.300 0.077 0.000 1.273 123 D CA -0.269 53.754 54.000 0.038 0.000 0.904 123 D CB -0.822 40.000 40.800 0.037 0.000 1.089 123 D HN 0.019 nan 8.370 nan 0.000 0.478 124 G N 0.131 108.977 108.800 0.076 0.000 2.442 124 G HA2 -0.236 3.724 3.960 -0.000 0.000 0.219 124 G HA3 -0.236 3.724 3.960 -0.000 0.000 0.219 124 G C 1.588 176.737 174.900 0.415 0.000 1.141 124 G CA 0.308 45.531 45.100 0.204 0.000 0.763 124 G HN 0.469 nan 8.290 nan 0.000 0.554 125 L N 1.573 122.973 121.223 0.294 0.000 2.187 125 L HA -0.141 4.199 4.340 -0.000 0.000 0.213 125 L C 3.256 180.199 176.870 0.121 0.000 1.100 125 L CA 1.436 56.406 54.840 0.218 0.000 0.765 125 L CB -0.347 41.803 42.059 0.151 0.000 0.904 125 L HN 0.471 nan 8.230 nan 0.000 0.437 126 S N -0.107 115.659 115.700 0.109 0.000 2.406 126 S HA -0.108 4.362 4.470 -0.000 0.000 0.228 126 S C 1.847 176.486 174.600 0.064 0.000 1.020 126 S CA 0.613 58.855 58.200 0.069 0.000 0.965 126 S CB -0.509 62.726 63.200 0.059 0.000 0.798 126 S HN 0.401 nan 8.310 nan 0.000 0.488 127 L N 0.727 122.015 121.223 0.109 0.000 2.456 127 L HA 0.222 4.562 4.340 -0.000 0.000 0.224 127 L C 0.491 177.370 176.870 0.014 0.000 1.148 127 L CA 0.312 55.212 54.840 0.100 0.000 0.825 127 L CB -0.473 41.711 42.059 0.208 0.000 0.937 127 L HN 0.286 nan 8.230 nan 0.000 0.450 128 L N 0.904 122.104 121.223 -0.038 0.000 2.319 128 L HA 0.247 4.587 4.340 -0.000 0.000 0.280 128 L C -1.806 175.005 176.870 -0.098 0.000 1.099 128 L CA -2.019 52.721 54.840 -0.166 0.000 0.828 128 L CB 0.278 42.188 42.059 -0.249 0.000 1.150 128 L HN -0.161 nan 8.230 nan 0.000 0.442 129 P HA -0.058 nan 4.420 nan 0.000 0.269 129 P C 0.188 177.458 177.300 -0.050 0.000 1.211 129 P CA -0.242 62.819 63.100 -0.066 0.000 0.781 129 P CB 0.427 32.083 31.700 -0.073 0.000 0.877 130 D N -0.175 120.208 120.400 -0.029 0.000 2.263 130 D HA -0.142 4.498 4.640 -0.000 0.000 0.208 130 D C 1.113 177.404 176.300 -0.015 0.000 0.971 130 D CA 1.635 55.626 54.000 -0.015 0.000 0.867 130 D CB -1.028 39.769 40.800 -0.005 0.000 0.929 130 D HN 0.475 nan 8.370 nan 0.000 0.492 131 T N -1.262 113.277 114.554 -0.024 0.000 3.035 131 T HA 0.055 4.405 4.350 -0.000 0.000 0.268 131 T C 1.190 175.874 174.700 -0.026 0.000 1.109 131 T CA 0.104 62.191 62.100 -0.022 0.000 1.119 131 T CB -0.179 68.671 68.868 -0.029 0.000 0.900 131 T HN 0.074 nan 8.240 nan 0.000 0.503 132 L N 1.588 122.786 121.223 -0.042 0.000 2.309 132 L HA 0.562 4.902 4.340 -0.000 0.000 0.282 132 L C 0.096 176.949 176.870 -0.029 0.000 1.036 132 L CA -0.808 54.003 54.840 -0.048 0.000 0.806 132 L CB 1.881 43.879 42.059 -0.102 0.000 1.220 132 L HN 0.078 nan 8.230 nan 0.000 0.429 133 S N 2.269 117.966 115.700 -0.006 0.000 2.475 133 S HA 0.838 5.308 4.470 -0.000 0.000 0.298 133 S C -0.625 173.984 174.600 0.016 0.000 1.119 133 S CA -0.449 57.756 58.200 0.008 0.000 1.085 133 S CB 1.363 64.576 63.200 0.021 0.000 1.028 133 S HN 0.676 nan 8.310 nan 0.000 0.489 134 A N 3.618 126.451 122.820 0.021 0.000 2.398 134 A HA 0.682 5.002 4.320 -0.000 0.000 0.301 134 A C -0.534 177.080 177.584 0.050 0.000 1.041 134 A CA -0.651 51.411 52.037 0.041 0.000 0.711 134 A CB 1.593 20.616 19.000 0.038 0.000 1.240 134 A HN 0.665 nan 8.150 nan 0.000 0.420 135 T N 5.661 120.248 114.554 0.055 0.000 2.821 135 T HA 0.531 4.881 4.350 -0.000 0.000 0.307 135 T C -2.717 172.028 174.700 0.075 0.000 1.034 135 T CA -1.034 61.093 62.100 0.045 0.000 0.953 135 T CB 1.065 69.937 68.868 0.008 0.000 0.968 135 T HN 0.529 nan 8.240 nan 0.000 0.462 136 P HA 0.185 nan 4.420 nan 0.000 0.268 136 P C 0.361 177.738 177.300 0.130 0.000 1.204 136 P CA -0.219 62.956 63.100 0.125 0.000 0.768 136 P CB 0.700 32.467 31.700 0.111 0.000 0.842 137 I N -0.141 120.540 120.570 0.186 0.000 4.403 137 I HA 0.267 4.436 4.170 -0.000 0.000 0.331 137 I C 0.450 176.752 176.117 0.309 0.000 1.327 137 I CA -0.133 61.315 61.300 0.247 0.000 1.175 137 I CB 0.413 38.540 38.000 0.211 0.000 1.165 137 I HN 0.337 nan 8.210 nan 0.000 0.413 138 S N -0.073 115.773 115.700 0.243 0.000 2.656 138 S HA 0.498 4.968 4.470 -0.000 0.000 0.273 138 S C 0.395 175.090 174.600 0.159 0.000 1.168 138 S CA -0.861 57.451 58.200 0.186 0.000 0.817 138 S CB 1.448 64.778 63.200 0.216 0.000 1.146 138 S HN 0.148 nan 8.310 nan 0.000 0.475 139 R N 0.086 120.654 120.500 0.113 0.000 2.120 139 R HA 0.096 4.436 4.340 -0.000 0.000 0.234 139 R C 1.750 178.085 176.300 0.058 0.000 1.123 139 R CA 1.390 57.534 56.100 0.073 0.000 0.975 139 R CB -0.191 30.134 30.300 0.042 0.000 0.866 139 R HN 0.578 nan 8.270 nan 0.000 0.446 140 R N -1.658 118.901 120.500 0.099 0.000 2.419 140 R HA 0.181 4.520 4.340 -0.000 0.000 0.235 140 R C -0.484 175.705 176.300 -0.185 0.000 0.899 140 R CA -0.125 55.936 56.100 -0.066 0.000 1.048 140 R CB 0.709 30.947 30.300 -0.103 0.000 1.182 140 R HN -0.051 nan 8.270 nan 0.000 0.544 141 F N 0.607 120.599 119.950 0.070 0.000 2.469 141 F HA 0.635 5.162 4.527 -0.000 0.000 0.332 141 F C 0.092 175.989 175.800 0.162 0.000 1.103 141 F CA -1.027 57.054 58.000 0.134 0.000 0.979 141 F CB 1.884 40.969 39.000 0.141 0.000 1.137 141 F HN -0.149 nan 8.300 nan 0.000 0.463 142 A N 3.384 126.406 122.820 0.337 0.000 2.475 142 A HA 0.785 5.105 4.320 -0.000 0.000 0.301 142 A C -1.424 176.302 177.584 0.236 0.000 1.059 142 A CA -0.750 51.437 52.037 0.251 0.000 0.710 142 A CB 1.215 20.349 19.000 0.224 0.000 1.288 142 A HN 0.738 nan 8.150 nan 0.000 0.408 143 L N 2.247 123.557 121.223 0.145 0.000 2.331 143 L HA 0.482 4.822 4.340 -0.000 0.000 0.278 143 L C -0.272 176.685 176.870 0.145 0.000 1.106 143 L CA -0.262 54.654 54.840 0.126 0.000 0.824 143 L CB 0.676 42.695 42.059 -0.067 0.000 1.142 143 L HN 0.717 nan 8.230 nan 0.000 0.443 144 I N 0.484 121.184 120.570 0.216 0.000 2.797 144 I HA 0.721 4.891 4.170 -0.000 0.000 0.307 144 I C -0.663 175.570 176.117 0.192 0.000 1.033 144 I CA -0.432 60.962 61.300 0.156 0.000 1.071 144 I CB 2.051 40.105 38.000 0.089 0.000 1.255 144 I HN 0.499 nan 8.210 nan 0.000 0.445 145 C N 3.299 122.670 119.300 0.119 0.000 2.797 145 C HA 1.012 5.472 4.460 -0.000 0.000 0.306 145 C C 0.246 175.269 174.990 0.055 0.000 1.207 145 C CA 0.905 59.994 59.018 0.117 0.000 1.507 145 C CB 0.635 28.440 27.740 0.108 0.000 2.028 145 C HN 1.525 nan 8.230 nan 0.000 0.475 146 G N 4.374 113.202 108.800 0.047 0.000 2.373 146 G HA2 0.079 4.039 3.960 -0.000 0.000 0.634 146 G HA3 0.079 4.039 3.960 -0.000 0.000 0.634 146 G C -3.173 171.718 174.900 -0.015 0.000 1.267 146 G CA -0.674 44.432 45.100 0.010 0.000 1.008 146 G HN 0.655 nan 8.290 nan 0.000 0.497 147 P HA 0.297 nan 4.420 nan 0.000 0.265 147 P C 1.272 178.525 177.300 -0.079 0.000 1.222 147 P CA -0.106 62.966 63.100 -0.047 0.000 0.767 147 P CB 0.314 31.990 31.700 -0.040 0.000 0.801 148 L N 2.611 123.773 121.223 -0.102 0.000 2.362 148 L HA -0.150 4.190 4.340 -0.000 0.000 0.219 148 L C 2.430 179.231 176.870 -0.114 0.000 1.134 148 L CA 1.009 55.762 54.840 -0.144 0.000 0.807 148 L CB -0.806 41.119 42.059 -0.222 0.000 0.927 148 L HN 0.432 nan 8.230 nan 0.000 0.447 149 E N -0.018 120.131 120.200 -0.085 0.000 2.268 149 E HA -0.223 4.127 4.350 -0.000 0.000 0.195 149 E C 0.575 177.129 176.600 -0.075 0.000 0.995 149 E CA 1.254 57.613 56.400 -0.068 0.000 0.836 149 E CB -0.167 29.503 29.700 -0.049 0.000 0.763 149 E HN 0.454 nan 8.360 nan 0.000 0.491 150 D N 1.051 121.396 120.400 -0.091 0.000 2.340 150 D HA 0.061 4.701 4.640 -0.000 0.000 0.220 150 D C 0.020 176.221 176.300 -0.166 0.000 1.039 150 D CA 0.140 54.076 54.000 -0.107 0.000 0.866 150 D CB 0.474 41.217 40.800 -0.094 0.000 0.913 150 D HN -0.007 nan 8.370 nan 0.000 0.523 151 V N 3.074 122.878 119.914 -0.182 0.000 2.427 151 V HA 0.160 4.280 4.120 -0.000 0.000 0.268 151 V C -1.933 174.035 176.094 -0.211 0.000 1.046 151 V CA -1.468 60.669 62.300 -0.271 0.000 0.970 151 V CB 0.766 32.458 31.823 -0.217 0.000 1.001 151 V HN -0.059 nan 8.190 nan 0.000 0.476 152 P HA 0.096 nan 4.420 nan 0.000 0.267 152 P C 0.819 178.168 177.300 0.081 0.000 1.200 152 P CA -0.185 62.880 63.100 -0.058 0.000 0.772 152 P CB 0.628 32.339 31.700 0.018 0.000 0.855 153 E N 1.621 121.870 120.200 0.082 0.000 2.333 153 E HA -0.158 4.191 4.350 -0.000 0.000 0.198 153 E C 0.736 177.411 176.600 0.125 0.000 1.007 153 E CA 1.118 57.569 56.400 0.085 0.000 0.845 153 E CB -0.295 29.434 29.700 0.049 0.000 0.766 153 E HN 0.608 nan 8.360 nan 0.000 0.507 154 D N -1.336 119.176 120.400 0.186 0.000 2.325 154 D HA -0.060 4.580 4.640 -0.000 0.000 0.225 154 D C -0.176 176.207 176.300 0.139 0.000 1.096 154 D CA -0.238 53.844 54.000 0.138 0.000 0.844 154 D CB -0.475 40.377 40.800 0.087 0.000 0.925 154 D HN -0.033 nan 8.370 nan 0.000 0.513 155 W N 0.461 121.742 121.300 -0.033 0.000 2.570 155 W HA 0.448 5.108 4.660 -0.000 0.000 0.337 155 W C -0.291 176.210 176.519 -0.030 0.000 1.067 155 W CA -1.231 56.082 57.345 -0.054 0.000 1.229 155 W CB 1.205 30.632 29.460 -0.055 0.000 1.355 155 W HN -0.201 nan 8.180 nan 0.000 0.555 156 L N 4.948 126.265 121.223 0.156 0.000 2.295 156 L HA 0.428 4.768 4.340 -0.000 0.000 0.288 156 L C -0.897 176.104 176.870 0.218 0.000 1.079 156 L CA -0.377 54.558 54.840 0.157 0.000 0.830 156 L CB -0.330 41.822 42.059 0.155 0.000 1.200 156 L HN 0.327 nan 8.230 nan 0.000 0.438 157 L N 5.320 126.654 121.223 0.184 0.000 2.264 157 L HA 0.606 4.946 4.340 -0.000 0.000 0.289 157 L C -0.100 176.883 176.870 0.189 0.000 1.044 157 L CA 0.470 55.416 54.840 0.177 0.000 0.807 157 L CB 1.393 43.505 42.059 0.088 0.000 1.192 157 L HN 0.756 nan 8.230 nan 0.000 0.425 158 T N 4.100 118.802 114.554 0.248 0.000 2.893 158 T HA 0.858 5.208 4.350 -0.000 0.000 0.293 158 T C -0.715 174.118 174.700 0.222 0.000 1.027 158 T CA -0.135 62.096 62.100 0.219 0.000 0.988 158 T CB 1.175 70.172 68.868 0.216 0.000 1.043 158 T HN 0.843 nan 8.240 nan 0.000 0.461 159 A N 4.542 127.419 122.820 0.094 0.000 2.281 159 A HA 0.886 5.206 4.320 -0.000 0.000 0.329 159 A C -2.425 174.978 177.584 -0.302 0.000 1.122 159 A CA -1.542 50.392 52.037 -0.171 0.000 0.850 159 A CB -0.130 18.788 19.000 -0.136 0.000 1.207 159 A HN 0.706 nan 8.150 nan 0.000 0.495 160 P HA 0.231 nan 4.420 nan 0.000 0.269 160 P C -0.013 177.132 177.300 -0.258 0.000 1.209 160 P CA -0.036 62.712 63.100 -0.587 0.000 0.776 160 P CB 0.700 31.753 31.700 -1.079 0.000 0.876 161 S N 0.256 115.894 115.700 -0.104 0.000 2.693 161 S HA 0.451 4.920 4.470 -0.000 0.000 0.276 161 S C 1.587 176.161 174.600 -0.045 0.000 1.192 161 S CA -0.137 58.031 58.200 -0.053 0.000 0.994 161 S CB 0.994 64.192 63.200 -0.005 0.000 1.012 161 S HN 0.505 nan 8.310 nan 0.000 0.550 162 G N -0.037 108.744 108.800 -0.032 0.000 2.470 162 G HA2 -0.124 3.836 3.960 -0.000 0.000 0.220 162 G HA3 -0.124 3.836 3.960 -0.000 0.000 0.220 162 G C 0.726 175.626 174.900 -0.000 0.000 1.121 162 G CA 0.235 45.322 45.100 -0.022 0.000 0.766 162 G HN 0.819 nan 8.290 nan 0.000 0.553 163 R N 0.410 120.917 120.500 0.011 0.000 2.784 163 R HA 0.330 4.669 4.340 -0.000 0.000 0.266 163 R C 1.292 177.616 176.300 0.040 0.000 1.044 163 R CA 0.308 56.422 56.100 0.022 0.000 1.151 163 R CB 0.126 30.441 30.300 0.025 0.000 1.037 163 R HN 0.115 nan 8.270 nan 0.000 0.478 164 G N 2.356 111.174 108.800 0.030 0.000 2.468 164 G HA2 0.228 4.187 3.960 -0.000 0.000 0.264 164 G HA3 0.228 4.187 3.960 -0.000 0.000 0.264 164 G C -0.517 174.393 174.900 0.017 0.000 1.460 164 G CA -0.729 44.390 45.100 0.032 0.000 1.060 164 G HN 0.452 nan 8.290 nan 0.000 0.543 165 L N 1.633 122.831 121.223 -0.041 0.000 2.325 165 L HA 0.352 4.691 4.340 -0.000 0.000 0.278 165 L C -1.659 175.099 176.870 -0.185 0.000 1.023 165 L CA -1.706 53.047 54.840 -0.145 0.000 0.811 165 L CB 1.992 43.913 42.059 -0.230 0.000 1.249 165 L HN 0.371 nan 8.230 nan 0.000 0.431 166 P HA 0.045 nan 4.420 nan 0.000 0.272 166 P C 0.944 178.082 177.300 -0.270 0.000 1.230 166 P CA -0.419 62.538 63.100 -0.238 0.000 0.788 166 P CB 1.128 32.656 31.700 -0.286 0.000 0.949 167 V N 1.450 121.319 119.914 -0.076 0.000 2.324 167 V HA -0.235 3.885 4.120 -0.000 0.000 0.250 167 V C 2.396 178.489 176.094 -0.002 0.000 1.060 167 V CA 2.303 64.590 62.300 -0.022 0.000 1.042 167 V CB -1.465 30.385 31.823 0.044 0.000 0.650 167 V HN 0.780 nan 8.190 nan 0.000 0.450 168 W N -0.074 121.214 121.300 -0.021 0.000 2.350 168 W HA -0.117 4.543 4.660 -0.000 0.000 0.289 168 W C 1.755 178.254 176.519 -0.033 0.000 1.215 168 W CA 1.421 58.752 57.345 -0.023 0.000 1.236 168 W CB -1.326 28.122 29.460 -0.020 0.000 1.130 168 W HN 0.217 nan 8.180 nan 0.000 0.541 169 V N 1.869 121.376 119.914 -0.679 0.000 2.346 169 V HA -0.254 3.866 4.120 -0.000 0.000 0.244 169 V C 2.966 178.869 176.094 -0.317 0.000 1.037 169 V CA 1.911 63.825 62.300 -0.644 0.000 1.029 169 V CB -0.966 30.312 31.823 -0.908 0.000 0.663 169 V HN 0.077 nan 8.190 nan 0.000 0.454 170 Q N 0.024 119.668 119.800 -0.259 0.000 2.152 170 Q HA -0.256 4.084 4.340 -0.000 0.000 0.206 170 Q C 2.059 178.004 176.000 -0.090 0.000 0.985 170 Q CA 1.897 57.606 55.803 -0.156 0.000 0.863 170 Q CB -0.495 28.177 28.738 -0.111 0.000 0.904 170 Q HN 0.630 nan 8.270 nan 0.000 0.422 171 D N -0.354 120.018 120.400 -0.048 0.000 2.123 171 D HA -0.119 4.521 4.640 -0.000 0.000 0.196 171 D C 2.064 178.361 176.300 -0.005 0.000 0.992 171 D CA 0.826 54.824 54.000 -0.003 0.000 0.833 171 D CB -0.182 40.644 40.800 0.043 0.000 0.954 171 D HN 0.043 nan 8.370 nan 0.000 0.455 172 V N 1.085 120.994 119.914 -0.009 0.000 2.237 172 V HA -0.232 3.888 4.120 -0.000 0.000 0.245 172 V C 2.776 178.847 176.094 -0.038 0.000 1.046 172 V CA 1.904 64.201 62.300 -0.006 0.000 1.007 172 V CB -0.848 30.981 31.823 0.010 0.000 0.638 172 V HN 0.187 nan 8.190 nan 0.000 0.445 173 V N -1.636 118.228 119.914 -0.084 0.000 2.407 173 V HA -0.183 3.937 4.120 -0.000 0.000 0.248 173 V C 2.239 178.305 176.094 -0.046 0.000 1.055 173 V CA 2.006 64.253 62.300 -0.089 0.000 1.049 173 V CB -1.034 30.692 31.823 -0.161 0.000 0.662 173 V HN 0.292 nan 8.190 nan 0.000 0.455 174 V N 0.687 120.578 119.914 -0.038 0.000 2.343 174 V HA -0.279 3.841 4.120 -0.000 0.000 0.247 174 V C 2.715 178.805 176.094 -0.006 0.000 1.051 174 V CA 2.635 64.928 62.300 -0.012 0.000 1.036 174 V CB -0.613 31.203 31.823 -0.012 0.000 0.654 174 V HN 0.753 nan 8.190 nan 0.000 0.451 175 E N 0.077 120.268 120.200 -0.015 0.000 2.016 175 E HA -0.154 4.196 4.350 -0.000 0.000 0.190 175 E C 2.242 178.827 176.600 -0.026 0.000 0.985 175 E CA 1.200 57.588 56.400 -0.020 0.000 0.802 175 E CB -0.290 29.402 29.700 -0.013 0.000 0.762 175 E HN 0.511 nan 8.360 nan 0.000 0.448 176 A N 0.402 123.211 122.820 -0.019 0.000 1.972 176 A HA -0.038 4.282 4.320 -0.000 0.000 0.219 176 A C 2.129 179.713 177.584 0.000 0.000 1.169 176 A CA 1.448 53.476 52.037 -0.015 0.000 0.635 176 A CB -0.616 18.377 19.000 -0.011 0.000 0.810 176 A HN 0.392 nan 8.150 nan 0.000 0.446 177 G N -2.132 106.682 108.800 0.023 0.000 3.314 177 G HA2 0.255 4.214 3.960 -0.000 0.000 0.238 177 G HA3 0.255 4.214 3.960 -0.000 0.000 0.238 177 G C 0.586 175.597 174.900 0.185 0.000 1.184 177 G CA 0.529 45.690 45.100 0.101 0.000 0.806 177 G HN 0.637 nan 8.290 nan 0.000 0.536 178 C N 0.257 119.564 119.300 0.012 0.000 4.056 178 C HA -0.212 4.248 4.460 -0.000 0.000 0.298 178 C C 2.113 177.059 174.990 -0.075 0.000 1.456 178 C CA 0.743 59.659 59.018 -0.170 0.000 2.037 178 C CB -2.239 25.179 27.740 -0.537 0.000 1.295 178 C HN 0.740 nan 8.230 nan 0.000 0.733 179 E N 1.510 121.770 120.200 0.099 0.000 2.136 179 E HA -0.245 4.104 4.350 -0.000 0.000 0.202 179 E C 2.018 178.681 176.600 0.106 0.000 1.019 179 E CA 2.300 58.794 56.400 0.157 0.000 0.819 179 E CB -0.205 29.549 29.700 0.091 0.000 0.739 179 E HN 0.816 nan 8.360 nan 0.000 0.458 180 A N -0.098 122.735 122.820 0.021 0.000 1.930 180 A HA -0.078 4.242 4.320 -0.000 0.000 0.215 180 A C 2.021 179.594 177.584 -0.018 0.000 1.176 180 A CA 1.396 53.437 52.037 0.008 0.000 0.632 180 A CB -0.465 18.528 19.000 -0.012 0.000 0.819 180 A HN 0.238 nan 8.150 nan 0.000 0.445 181 E N -0.483 119.651 120.200 -0.110 0.000 2.085 181 E HA -0.168 4.182 4.350 -0.000 0.000 0.194 181 E C 1.465 177.992 176.600 -0.122 0.000 0.994 181 E CA 1.539 57.828 56.400 -0.185 0.000 0.801 181 E CB -0.381 29.104 29.700 -0.357 0.000 0.743 181 E HN 0.662 nan 8.360 nan 0.000 0.453 182 F N 0.913 120.880 119.950 0.027 0.000 2.206 182 F HA -0.047 4.479 4.527 -0.000 0.000 0.298 182 F C 1.999 177.835 175.800 0.060 0.000 1.090 182 F CA 0.921 58.962 58.000 0.070 0.000 1.323 182 F CB -0.131 38.921 39.000 0.087 0.000 1.028 182 F HN -0.108 nan 8.300 nan 0.000 0.492 183 K N 0.045 120.569 120.400 0.207 0.000 2.103 183 K HA 0.019 4.338 4.320 -0.000 0.000 0.204 183 K C 2.305 178.954 176.600 0.082 0.000 1.052 183 K CA 1.058 57.418 56.287 0.123 0.000 0.945 183 K CB -0.598 31.955 32.500 0.088 0.000 0.722 183 K HN 0.226 nan 8.250 nan 0.000 0.443 184 A N 1.712 124.568 122.820 0.059 0.000 1.873 184 A HA -0.150 4.169 4.320 -0.000 0.000 0.215 184 A C 2.154 179.765 177.584 0.044 0.000 1.186 184 A CA 1.136 53.193 52.037 0.033 0.000 0.616 184 A CB -0.518 18.485 19.000 0.005 0.000 0.823 184 A HN 0.229 nan 8.150 nan 0.000 0.442 185 L N 0.138 121.402 121.223 0.068 0.000 2.017 185 L HA -0.127 4.212 4.340 -0.000 0.000 0.208 185 L C 2.121 179.047 176.870 0.093 0.000 1.073 185 L CA 2.721 57.615 54.840 0.091 0.000 0.745 185 L CB -0.951 41.199 42.059 0.152 0.000 0.894 185 L HN 0.571 nan 8.230 nan 0.000 0.432 186 E N -0.666 119.599 120.200 0.109 0.000 2.097 186 E HA -0.272 4.078 4.350 -0.000 0.000 0.196 186 E C 2.334 178.960 176.600 0.043 0.000 1.000 186 E CA 1.511 57.955 56.400 0.073 0.000 0.804 186 E CB -0.037 29.709 29.700 0.076 0.000 0.740 186 E HN 0.484 nan 8.360 nan 0.000 0.454 187 R N -0.524 120.001 120.500 0.043 0.000 2.066 187 R HA -0.084 4.255 4.340 -0.000 0.000 0.232 187 R C 2.525 178.838 176.300 0.023 0.000 1.131 187 R CA 1.741 57.858 56.100 0.028 0.000 0.955 187 R CB -0.520 29.794 30.300 0.025 0.000 0.851 187 R HN 0.174 nan 8.270 nan 0.000 0.432 188 T N 1.952 116.522 114.554 0.027 0.000 2.665 188 T HA -0.143 4.206 4.350 -0.000 0.000 0.268 188 T C 1.851 176.563 174.700 0.021 0.000 1.035 188 T CA 1.267 63.380 62.100 0.022 0.000 1.151 188 T CB -0.196 68.687 68.868 0.026 0.000 0.862 188 T HN 0.155 nan 8.240 nan 0.000 0.438 189 L N 0.682 121.921 121.223 0.025 0.000 2.201 189 L HA -0.023 4.317 4.340 -0.000 0.000 0.212 189 L C 3.005 179.879 176.870 0.006 0.000 1.105 189 L CA 0.829 55.678 54.840 0.016 0.000 0.775 189 L CB -0.715 41.352 42.059 0.013 0.000 0.913 189 L HN 0.240 nan 8.230 nan 0.000 0.440 190 A N 0.765 123.589 122.820 0.008 0.000 2.024 190 A HA -0.269 4.051 4.320 -0.000 0.000 0.220 190 A C 2.311 179.897 177.584 0.002 0.000 1.164 190 A CA 1.835 53.874 52.037 0.004 0.000 0.643 190 A CB -0.556 18.448 19.000 0.006 0.000 0.806 190 A HN 0.676 nan 8.150 nan 0.000 0.451 191 Q N -0.044 119.759 119.800 0.004 0.000 2.226 191 Q HA -0.041 4.299 4.340 -0.000 0.000 0.204 191 Q C 0.328 176.329 176.000 0.002 0.000 0.975 191 Q CA 0.963 56.768 55.803 0.004 0.000 0.866 191 Q CB -0.655 28.086 28.738 0.005 0.000 0.915 191 Q HN 0.621 nan 8.270 nan 0.000 0.440 192 I N 2.676 123.247 120.570 0.001 0.000 2.349 192 I HA 0.003 4.173 4.170 -0.000 0.000 0.302 192 I C 0.384 176.499 176.117 -0.004 0.000 1.180 192 I CA -0.257 61.043 61.300 -0.000 0.000 1.405 192 I CB 0.146 38.146 38.000 -0.001 0.000 1.474 192 I HN 0.122 nan 8.210 nan 0.000 0.632 193 D N 4.407 124.806 120.400 -0.002 0.000 2.154 193 D HA 0.013 4.653 4.640 -0.000 0.000 0.211 193 D C 0.719 177.017 176.300 -0.004 0.000 0.977 193 D CA 1.509 55.508 54.000 -0.003 0.000 0.869 193 D CB 0.564 41.363 40.800 -0.001 0.000 1.022 193 D HN 0.111 nan 8.370 nan 0.000 0.461 194 K N 0.098 120.497 120.400 -0.001 0.000 2.267 194 K HA 0.383 4.702 4.320 -0.000 0.000 0.246 194 K C -0.866 175.735 176.600 0.003 0.000 0.954 194 K CA -0.987 55.300 56.287 -0.000 0.000 0.824 194 K CB 2.355 34.856 32.500 0.001 0.000 1.167 194 K HN -0.127 nan 8.250 nan 0.000 0.431 195 V N 4.551 124.467 119.914 0.002 0.000 2.521 195 V HA 0.100 4.219 4.120 -0.000 0.000 0.286 195 V C -1.688 174.414 176.094 0.013 0.000 1.034 195 V CA -1.120 61.184 62.300 0.006 0.000 1.045 195 V CB 0.333 32.158 31.823 0.003 0.000 0.974 195 V HN 0.648 nan 8.190 nan 0.000 0.480 196 P HA 0.261 nan 4.420 nan 0.000 0.274 196 P C -0.102 177.215 177.300 0.028 0.000 1.231 196 P CA -0.443 62.672 63.100 0.026 0.000 0.790 196 P CB 1.004 32.725 31.700 0.035 0.000 0.951 197 D N -0.648 119.767 120.400 0.025 0.000 2.084 197 D HA -0.084 4.556 4.640 -0.000 0.000 0.196 197 D C 0.245 176.563 176.300 0.030 0.000 0.985 197 D CA 1.227 55.242 54.000 0.023 0.000 0.826 197 D CB -0.931 39.880 40.800 0.019 0.000 0.978 197 D HN 0.357 nan 8.370 nan 0.000 0.456 198 T N 0.714 115.290 114.554 0.035 0.000 2.946 198 T HA 0.030 4.380 4.350 -0.000 0.000 0.311 198 T C 1.145 175.879 174.700 0.058 0.000 1.063 198 T CA -0.144 61.982 62.100 0.042 0.000 1.139 198 T CB 1.306 70.202 68.868 0.046 0.000 0.994 198 T HN 0.040 nan 8.240 nan 0.000 0.547 199 R N 0.533 121.065 120.500 0.055 0.000 2.092 199 R HA -0.055 4.285 4.340 -0.000 0.000 0.231 199 R C 2.275 178.643 176.300 0.113 0.000 1.119 199 R CA 0.755 56.898 56.100 0.070 0.000 0.970 199 R CB -0.349 29.975 30.300 0.040 0.000 0.864 199 R HN 0.476 nan 8.270 nan 0.000 0.440 200 L N 1.612 122.891 121.223 0.094 0.000 2.017 200 L HA -0.156 4.184 4.340 -0.000 0.000 0.208 200 L C 1.754 178.752 176.870 0.213 0.000 1.073 200 L CA 1.851 56.775 54.840 0.140 0.000 0.745 200 L CB -0.363 41.750 42.059 0.089 0.000 0.894 200 L HN 0.117 nan 8.230 nan 0.000 0.432 201 E N -0.676 119.608 120.200 0.141 0.000 2.058 201 E HA -0.255 4.095 4.350 -0.000 0.000 0.194 201 E C 2.343 179.025 176.600 0.135 0.000 0.997 201 E CA 1.323 57.798 56.400 0.125 0.000 0.801 201 E CB -0.207 29.540 29.700 0.077 0.000 0.746 201 E HN 0.452 nan 8.360 nan 0.000 0.450 202 R N -0.099 120.476 120.500 0.124 0.000 2.091 202 R HA -0.173 4.167 4.340 -0.000 0.000 0.238 202 R C 2.282 178.663 176.300 0.135 0.000 1.136 202 R CA 1.480 57.644 56.100 0.107 0.000 0.959 202 R CB -0.376 29.979 30.300 0.091 0.000 0.856 202 R HN 0.180 nan 8.270 nan 0.000 0.437 203 F N 1.143 121.122 119.950 0.050 0.000 2.075 203 F HA -0.201 4.326 4.527 -0.000 0.000 0.297 203 F C 2.223 178.073 175.800 0.084 0.000 1.113 203 F CA 1.896 59.918 58.000 0.036 0.000 1.218 203 F CB -0.463 38.549 39.000 0.020 0.000 0.984 203 F HN -0.098 nan 8.300 nan 0.000 0.472 204 T N 1.265 116.027 114.554 0.346 0.000 2.759 204 T HA -0.207 4.142 4.350 -0.000 0.000 0.269 204 T C 1.843 176.654 174.700 0.186 0.000 1.042 204 T CA 1.554 63.903 62.100 0.415 0.000 1.140 204 T CB -0.569 68.535 68.868 0.393 0.000 0.864 204 T HN 0.188 nan 8.240 nan 0.000 0.455 205 L N 0.951 122.235 121.223 0.101 0.000 2.056 205 L HA 0.094 4.433 4.340 -0.000 0.000 0.207 205 L C 2.616 179.493 176.870 0.012 0.000 1.078 205 L CA 1.561 56.432 54.840 0.053 0.000 0.749 205 L CB -0.475 41.610 42.059 0.043 0.000 0.901 205 L HN 0.065 nan 8.230 nan 0.000 0.433 206 R N -0.945 119.532 120.500 -0.040 0.000 2.083 206 R HA -0.152 4.187 4.340 -0.000 0.000 0.237 206 R C 2.079 178.320 176.300 -0.099 0.000 1.137 206 R CA 2.081 58.133 56.100 -0.080 0.000 0.951 206 R CB -0.383 29.844 30.300 -0.122 0.000 0.851 206 R HN 0.301 nan 8.270 nan 0.000 0.434 207 V N 1.511 121.302 119.914 -0.205 0.000 2.332 207 V HA -0.260 3.860 4.120 -0.000 0.000 0.248 207 V C 2.435 178.559 176.094 0.050 0.000 1.055 207 V CA 1.672 63.878 62.300 -0.157 0.000 1.038 207 V CB -0.423 31.171 31.823 -0.382 0.000 0.651 207 V HN 0.323 nan 8.190 nan 0.000 0.450 208 L N -0.586 120.691 121.223 0.091 0.000 2.027 208 L HA -0.138 4.202 4.340 -0.000 0.000 0.206 208 L C 2.472 179.403 176.870 0.102 0.000 1.074 208 L CA 1.214 56.119 54.840 0.108 0.000 0.745 208 L CB -0.547 41.559 42.059 0.079 0.000 0.898 208 L HN 0.169 nan 8.230 nan 0.000 0.433 209 V N -0.255 119.697 119.914 0.064 0.000 2.343 209 V HA -0.290 3.830 4.120 -0.000 0.000 0.247 209 V C 2.328 178.479 176.094 0.095 0.000 1.051 209 V CA 1.698 64.033 62.300 0.059 0.000 1.036 209 V CB -0.397 31.435 31.823 0.016 0.000 0.654 209 V HN 0.325 nan 8.190 nan 0.000 0.451 210 L N -0.338 120.933 121.223 0.080 0.000 2.056 210 L HA -0.152 4.188 4.340 -0.000 0.000 0.207 210 L C 2.450 179.397 176.870 0.129 0.000 1.078 210 L CA 2.260 57.162 54.840 0.103 0.000 0.749 210 L CB -0.799 41.292 42.059 0.053 0.000 0.901 210 L HN 0.482 nan 8.230 nan 0.000 0.433 211 H N -0.441 118.645 119.070 0.027 0.000 2.321 211 H HA -0.068 4.488 4.556 -0.000 0.000 0.300 211 H C 2.103 177.429 175.328 -0.004 0.000 1.087 211 H CA 1.731 57.774 56.048 -0.008 0.000 1.319 211 H CB -0.183 29.564 29.762 -0.025 0.000 1.379 211 H HN 0.414 nan 8.280 nan 0.000 0.501 212 A N 1.141 123.964 122.820 0.005 0.000 1.917 212 A HA -0.224 4.096 4.320 -0.000 0.000 0.219 212 A C 2.497 180.083 177.584 0.004 0.000 1.182 212 A CA 1.595 53.620 52.037 -0.021 0.000 0.633 212 A CB -1.475 17.568 19.000 0.071 0.000 0.819 212 A HN 0.823 nan 8.150 nan 0.000 0.448 213 W N 0.477 121.718 121.300 -0.097 0.000 2.408 213 W HA -0.139 4.521 4.660 -0.000 0.000 0.311 213 W C 2.421 178.879 176.519 -0.103 0.000 1.190 213 W CA 1.594 58.902 57.345 -0.062 0.000 1.321 213 W CB -0.338 29.089 29.460 -0.054 0.000 1.143 213 W HN 0.380 nan 8.180 nan 0.000 0.501 214 R N 1.165 121.521 120.500 -0.240 0.000 2.094 214 R HA -0.274 4.065 4.340 -0.000 0.000 0.239 214 R C 2.613 178.682 176.300 -0.385 0.000 1.137 214 R CA 2.836 58.730 56.100 -0.343 0.000 0.943 214 R CB -0.757 29.430 30.300 -0.189 0.000 0.850 214 R HN 0.262 nan 8.270 nan 0.000 0.433 215 R N 0.209 120.449 120.500 -0.433 0.000 2.159 215 R HA -0.161 4.179 4.340 -0.000 0.000 0.237 215 R C 2.063 178.173 176.300 -0.316 0.000 1.131 215 R CA 1.698 57.562 56.100 -0.393 0.000 0.982 215 R CB -0.510 29.488 30.300 -0.503 0.000 0.868 215 R HN 0.308 nan 8.270 nan 0.000 0.453 216 L N 0.160 121.173 121.223 -0.349 0.000 2.200 216 L HA 0.142 4.482 4.340 -0.000 0.000 0.200 216 L C 2.120 178.761 176.870 -0.382 0.000 1.072 216 L CA 0.991 55.611 54.840 -0.367 0.000 0.787 216 L CB -0.453 41.384 42.059 -0.371 0.000 0.957 216 L HN 0.182 nan 8.230 nan 0.000 0.459 217 I N -0.194 120.062 120.570 -0.523 0.000 2.163 217 I HA -0.288 3.882 4.170 -0.000 0.000 0.243 217 I C 2.157 178.119 176.117 -0.259 0.000 1.085 217 I CA 1.712 62.733 61.300 -0.466 0.000 1.347 217 I CB -0.312 37.114 38.000 -0.957 0.000 1.044 217 I HN 0.236 nan 8.210 nan 0.000 0.408 218 L N -0.469 120.598 121.223 -0.261 0.000 2.362 218 L HA -0.130 4.209 4.340 -0.000 0.000 0.219 218 L C 2.524 179.329 176.870 -0.109 0.000 1.134 218 L CA 0.855 55.607 54.840 -0.147 0.000 0.807 218 L CB -0.597 41.390 42.059 -0.119 0.000 0.927 218 L HN 0.237 nan 8.230 nan 0.000 0.447 219 R N -0.542 119.873 120.500 -0.142 0.000 2.189 219 R HA 0.045 4.385 4.340 -0.000 0.000 0.203 219 R C 1.250 177.492 176.300 -0.097 0.000 1.012 219 R CA 0.022 56.052 56.100 -0.116 0.000 1.015 219 R CB 0.379 30.588 30.300 -0.152 0.000 0.938 219 R HN 0.095 nan 8.270 nan 0.000 0.472 220 S N -0.257 115.386 115.700 -0.096 0.000 2.576 220 S HA 0.072 4.542 4.470 -0.000 0.000 0.276 220 S C -0.315 174.294 174.600 0.014 0.000 1.339 220 S CA -0.333 57.856 58.200 -0.019 0.000 1.039 220 S CB 1.336 64.618 63.200 0.137 0.000 0.902 220 S HN 0.218 nan 8.310 nan 0.000 0.516 221 S N 4.372 120.089 115.700 0.027 0.000 2.411 221 S HA 0.399 4.869 4.470 -0.000 0.000 0.294 221 S C -1.771 172.850 174.600 0.034 0.000 1.115 221 S CA -1.765 56.449 58.200 0.022 0.000 1.071 221 S CB 0.685 63.893 63.200 0.012 0.000 0.967 221 S HN 0.548 nan 8.310 nan 0.000 0.488 222 P HA -0.109 nan 4.420 nan 0.000 0.216 222 P C 1.325 178.650 177.300 0.042 0.000 1.150 222 P CA 1.298 64.420 63.100 0.036 0.000 0.843 222 P CB 0.075 31.795 31.700 0.033 0.000 0.787 223 A N 0.243 123.087 122.820 0.039 0.000 1.865 223 A HA -0.168 4.152 4.320 -0.000 0.000 0.217 223 A C 2.381 179.960 177.584 -0.007 0.000 1.191 223 A CA 2.443 54.507 52.037 0.044 0.000 0.623 223 A CB -1.660 17.365 19.000 0.042 0.000 0.826 223 A HN 0.211 nan 8.150 nan 0.000 0.444 224 A N -0.420 122.386 122.820 -0.024 0.000 1.933 224 A HA -0.160 4.160 4.320 -0.000 0.000 0.218 224 A C 1.906 179.464 177.584 -0.043 0.000 1.175 224 A CA 1.724 53.725 52.037 -0.061 0.000 0.628 224 A CB -0.524 18.458 19.000 -0.030 0.000 0.814 224 A HN 0.662 nan 8.150 nan 0.000 0.444 225 E N -0.145 120.059 120.200 0.007 0.000 2.047 225 E HA -0.081 4.269 4.350 -0.000 0.000 0.191 225 E C 2.362 178.970 176.600 0.015 0.000 0.987 225 E CA 0.937 57.348 56.400 0.018 0.000 0.799 225 E CB -0.355 29.361 29.700 0.027 0.000 0.752 225 E HN 0.596 nan 8.360 nan 0.000 0.449 226 A N 1.623 124.469 122.820 0.043 0.000 1.903 226 A HA -0.260 4.060 4.320 -0.000 0.000 0.219 226 A C 2.408 180.073 177.584 0.135 0.000 1.191 226 A CA 2.112 54.219 52.037 0.117 0.000 0.638 226 A CB -0.871 18.242 19.000 0.188 0.000 0.823 226 A HN 0.319 nan 8.150 nan 0.000 0.451 227 A N -0.940 121.810 122.820 -0.117 0.000 2.015 227 A HA 0.107 4.427 4.320 -0.000 0.000 0.219 227 A C 2.018 179.494 177.584 -0.180 0.000 1.163 227 A CA 1.317 53.082 52.037 -0.453 0.000 0.646 227 A CB -0.468 18.090 19.000 -0.737 0.000 0.806 227 A HN 0.482 nan 8.150 nan 0.000 0.448 228 L N -1.391 119.783 121.223 -0.082 0.000 2.395 228 L HA 0.233 4.573 4.340 -0.000 0.000 0.218 228 L C 1.522 178.395 176.870 0.005 0.000 1.130 228 L CA 0.502 55.318 54.840 -0.039 0.000 0.826 228 L CB -0.650 41.398 42.059 -0.017 0.000 0.941 228 L HN 0.632 nan 8.230 nan 0.000 0.451 229 G N -0.374 108.448 108.800 0.037 0.000 2.632 229 G HA2 -0.232 3.728 3.960 -0.000 0.000 0.224 229 G HA3 -0.232 3.728 3.960 -0.000 0.000 0.224 229 G C 0.570 175.487 174.900 0.029 0.000 1.341 229 G CA -0.381 44.752 45.100 0.055 0.000 0.880 229 G HN 0.221 nan 8.290 nan 0.000 0.566 230 G N -0.485 108.328 108.800 0.023 0.000 2.920 230 G HA2 0.486 4.446 3.960 -0.000 0.000 0.208 230 G HA3 0.486 4.446 3.960 -0.000 0.000 0.208 230 G C 1.416 176.315 174.900 -0.001 0.000 1.159 230 G CA 1.910 47.014 45.100 0.008 0.000 0.784 230 G HN 1.855 nan 8.290 nan 0.000 0.535 231 A N 0.634 123.456 122.820 0.003 0.000 2.308 231 A HA 0.332 4.651 4.320 -0.000 0.000 0.217 231 A C 1.480 179.064 177.584 -0.000 0.000 1.216 231 A CA -0.376 51.661 52.037 0.001 0.000 0.864 231 A CB -0.169 18.834 19.000 0.005 0.000 0.902 231 A HN 0.468 nan 8.150 nan 0.000 0.499 232 R N -0.700 119.797 120.500 -0.005 0.000 2.638 232 R HA 0.326 4.665 4.340 -0.000 0.000 0.268 232 R C 0.916 177.200 176.300 -0.028 0.000 1.006 232 R CA 0.468 56.564 56.100 -0.007 0.000 1.088 232 R CB 0.413 30.704 30.300 -0.015 0.000 0.950 232 R HN 0.036 nan 8.270 nan 0.000 0.419 233 A N 2.572 125.396 122.820 0.007 0.000 1.972 233 A HA -0.259 4.060 4.320 -0.000 0.000 0.219 233 A C 2.018 179.501 177.584 -0.168 0.000 1.169 233 A CA 1.616 53.669 52.037 0.027 0.000 0.635 233 A CB -0.603 18.517 19.000 0.199 0.000 0.810 233 A HN 0.995 nan 8.150 nan 0.000 0.446 234 E N 0.389 120.291 120.200 -0.497 0.000 2.150 234 E HA -0.139 4.211 4.350 -0.000 0.000 0.193 234 E C 1.584 177.995 176.600 -0.314 0.000 0.985 234 E CA 1.458 57.327 56.400 -0.886 0.000 0.814 234 E CB -0.544 28.583 29.700 -0.956 0.000 0.752 234 E HN 0.628 nan 8.360 nan 0.000 0.466 235 I N 1.369 121.829 120.570 -0.183 0.000 2.163 235 I HA -0.269 3.900 4.170 -0.000 0.000 0.240 235 I C 2.590 178.643 176.117 -0.105 0.000 1.081 235 I CA 1.583 62.818 61.300 -0.108 0.000 1.353 235 I CB -0.469 37.489 38.000 -0.069 0.000 1.054 235 I HN 0.335 nan 8.210 nan 0.000 0.407 236 S N -0.401 115.247 115.700 -0.087 0.000 2.387 236 S HA -0.208 4.261 4.470 -0.000 0.000 0.226 236 S C 2.225 176.776 174.600 -0.082 0.000 1.026 236 S CA 0.950 59.110 58.200 -0.066 0.000 0.972 236 S CB -1.084 62.097 63.200 -0.031 0.000 0.814 236 S HN 0.576 nan 8.310 nan 0.000 0.477 237 C N 2.090 121.349 119.300 -0.068 0.000 2.440 237 C HA 0.145 4.604 4.460 -0.000 0.000 0.278 237 C C 2.993 177.791 174.990 -0.319 0.000 1.295 237 C CA 1.103 60.099 59.018 -0.036 0.000 1.738 237 C CB -1.402 26.469 27.740 0.217 0.000 1.987 237 C HN 0.734 nan 8.230 nan 0.000 0.492 238 R N 0.512 120.761 120.500 -0.419 0.000 2.096 238 R HA -0.071 4.268 4.340 -0.000 0.000 0.235 238 R C 2.290 178.315 176.300 -0.458 0.000 1.127 238 R CA 1.727 57.378 56.100 -0.748 0.000 0.968 238 R CB -0.440 29.703 30.300 -0.261 0.000 0.861 238 R HN 0.556 nan 8.270 nan 0.000 0.440 239 A N 1.061 123.735 122.820 -0.243 0.000 1.877 239 A HA -0.208 4.111 4.320 -0.000 0.000 0.216 239 A C 2.170 179.692 177.584 -0.104 0.000 1.186 239 A CA 1.638 53.600 52.037 -0.124 0.000 0.620 239 A CB -0.536 18.413 19.000 -0.084 0.000 0.822 239 A HN 0.350 nan 8.150 nan 0.000 0.443 240 R N -0.294 120.123 120.500 -0.138 0.000 2.081 240 R HA -0.064 4.276 4.340 -0.000 0.000 0.235 240 R C 1.852 178.055 176.300 -0.162 0.000 1.131 240 R CA 1.955 57.987 56.100 -0.114 0.000 0.960 240 R CB -1.022 29.230 30.300 -0.081 0.000 0.856 240 R HN 0.228 nan 8.270 nan 0.000 0.436 241 V N 0.561 120.299 119.914 -0.292 0.000 2.233 241 V HA -0.299 3.820 4.120 -0.000 0.000 0.247 241 V C 2.233 178.166 176.094 -0.268 0.000 1.050 241 V CA 2.412 64.490 62.300 -0.369 0.000 1.010 241 V CB -0.824 30.504 31.823 -0.824 0.000 0.637 241 V HN 0.574 nan 8.190 nan 0.000 0.444 242 H N 0.088 118.946 119.070 -0.353 0.000 2.289 242 H HA -0.266 4.290 4.556 -0.000 0.000 0.296 242 H C 2.366 177.619 175.328 -0.125 0.000 1.091 242 H CA 2.645 58.570 56.048 -0.205 0.000 1.274 242 H CB -0.272 29.384 29.762 -0.176 0.000 1.364 242 H HN 0.508 nan 8.280 nan 0.000 0.490 243 Q N 0.033 119.726 119.800 -0.178 0.000 2.045 243 Q HA -0.181 4.159 4.340 -0.000 0.000 0.206 243 Q C 2.475 178.371 176.000 -0.174 0.000 0.991 243 Q CA 2.138 57.830 55.803 -0.186 0.000 0.851 243 Q CB -0.233 28.456 28.738 -0.082 0.000 0.911 243 Q HN 0.608 nan 8.270 nan 0.000 0.418 244 L N 0.418 121.562 121.223 -0.132 0.000 2.013 244 L HA -0.257 4.082 4.340 -0.000 0.000 0.212 244 L C 2.541 179.351 176.870 -0.100 0.000 1.073 244 L CA 1.224 56.006 54.840 -0.097 0.000 0.753 244 L CB -0.453 41.561 42.059 -0.074 0.000 0.890 244 L HN 0.362 nan 8.230 nan 0.000 0.432 245 L N -0.763 120.387 121.223 -0.121 0.000 2.131 245 L HA -0.238 4.102 4.340 -0.000 0.000 0.210 245 L C 2.088 178.891 176.870 -0.110 0.000 1.092 245 L CA 1.074 55.859 54.840 -0.092 0.000 0.759 245 L CB -0.722 41.301 42.059 -0.060 0.000 0.903 245 L HN 0.316 nan 8.230 nan 0.000 0.435 246 D N -0.123 120.159 120.400 -0.198 0.000 2.103 246 D HA -0.179 4.461 4.640 -0.000 0.000 0.199 246 D C 2.334 178.570 176.300 -0.107 0.000 0.978 246 D CA 1.183 55.072 54.000 -0.185 0.000 0.829 246 D CB -0.163 40.455 40.800 -0.304 0.000 0.981 246 D HN 0.473 nan 8.370 nan 0.000 0.464 247 Q N 0.154 119.895 119.800 -0.098 0.000 2.224 247 Q HA -0.049 4.291 4.340 -0.000 0.000 0.203 247 Q C 2.026 178.005 176.000 -0.036 0.000 0.970 247 Q CA 0.818 56.587 55.803 -0.058 0.000 0.865 247 Q CB -0.280 28.427 28.738 -0.051 0.000 0.922 247 Q HN 0.297 nan 8.270 nan 0.000 0.445 248 L N 0.458 121.659 121.223 -0.036 0.000 2.270 248 L HA 0.141 4.481 4.340 -0.000 0.000 0.210 248 L C 1.266 178.135 176.870 -0.003 0.000 1.104 248 L CA 0.543 55.375 54.840 -0.013 0.000 0.804 248 L CB -0.588 41.462 42.059 -0.014 0.000 0.937 248 L HN 0.523 nan 8.230 nan 0.000 0.450 249 G N -0.035 108.756 108.800 -0.016 0.000 2.697 249 G HA2 -0.285 3.675 3.960 -0.000 0.000 0.240 249 G HA3 -0.285 3.675 3.960 -0.000 0.000 0.240 249 G C -0.255 174.653 174.900 0.014 0.000 1.346 249 G CA -0.183 44.915 45.100 -0.005 0.000 0.887 249 G HN 0.171 nan 8.290 nan 0.000 0.569 250 S N -1.206 114.510 115.700 0.027 0.000 2.451 250 S HA 0.642 5.112 4.470 -0.000 0.000 0.301 250 S C -0.031 174.615 174.600 0.078 0.000 1.116 250 S CA -0.203 58.026 58.200 0.048 0.000 1.093 250 S CB 1.280 64.501 63.200 0.035 0.000 1.017 250 S HN 1.289 nan 8.310 nan 0.000 0.482 251 V N 4.852 124.851 119.914 0.142 0.000 2.448 251 V HA 0.446 4.566 4.120 -0.000 0.000 0.295 251 V C 0.075 176.274 176.094 0.176 0.000 1.025 251 V CA -0.862 61.542 62.300 0.173 0.000 0.859 251 V CB 1.677 33.649 31.823 0.249 0.000 0.988 251 V HN 0.785 nan 8.190 nan 0.000 0.431 252 E N 5.412 125.655 120.200 0.073 0.000 2.223 252 E HA 0.333 4.683 4.350 -0.000 0.000 0.282 252 E C -2.081 174.478 176.600 -0.068 0.000 1.046 252 E CA -1.193 55.221 56.400 0.024 0.000 0.857 252 E CB 1.602 31.310 29.700 0.014 0.000 1.055 252 E HN 0.557 nan 8.360 nan 0.000 0.409 253 P HA 0.000 nan 4.420 nan 0.000 0.216 253 P CA 0.000 62.913 63.100 -0.312 0.000 0.800 253 P CB 0.000 31.349 31.700 -0.585 0.000 0.726