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 2eiv_1_D DATA FIRST_RESID 2 DATA SEQUENCE ERVAVVGVPM DLXXXXXGVD MGPSALRYAR LLEQLEDLGY TVEDLGDVPV DATA SEQUENCE SXXXXXXXXX XXLAYLEEIR AAALVLKERL AALPEGVFPI VLGGDHSLSM DATA SEQUENCE GSVAGAARGR RVGVVWVDAH ADFNTPETSX SGNVHGMPLA VLSGLGHPRL DATA SEQUENCE TEVFRAVDPK DVVLVGVRSL DPGEKRLLKE AGVRVYTMHE VDRLGVARIA DATA SEQUENCE EEVLKHLQGL PLHVSLDADV LDPTLAPGVG TPVPGGLTYR EAHLLMEILA DATA SEQUENCE ESGRVQSLDL VEVNPILDER NRTAEMLVGL ALSLLGKRIF 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 2 E HA 0.000 nan 4.350 nan 0.000 0.291 2 E C 0.000 176.746 176.600 0.243 0.000 1.382 2 E CA 0.000 56.451 56.400 0.085 0.000 0.976 2 E CB 0.000 29.688 29.700 -0.019 0.000 0.812 3 R N 1.112 121.751 120.500 0.232 0.000 2.474 3 R HA 0.706 5.046 4.340 -0.000 0.000 0.295 3 R C -1.216 175.190 176.300 0.177 0.000 0.980 3 R CA -0.600 55.611 56.100 0.185 0.000 0.934 3 R CB 2.321 32.693 30.300 0.119 0.000 1.101 3 R HN -0.050 nan 8.270 nan 0.000 0.469 4 V N 1.697 121.674 119.914 0.105 0.000 2.808 4 V HA 0.588 4.708 4.120 -0.000 0.000 0.308 4 V C -0.974 175.145 176.094 0.043 0.000 1.099 4 V CA -0.797 61.523 62.300 0.034 0.000 0.920 4 V CB 2.008 33.728 31.823 -0.171 0.000 1.014 4 V HN 0.921 nan 8.190 nan 0.000 0.425 5 A N 4.159 127.018 122.820 0.065 0.000 2.342 5 A HA 0.940 5.260 4.320 -0.000 0.000 0.323 5 A C -1.054 176.552 177.584 0.036 0.000 1.125 5 A CA -0.562 51.502 52.037 0.044 0.000 0.785 5 A CB 1.772 20.801 19.000 0.047 0.000 1.221 5 A HN 0.702 nan 8.150 nan 0.000 0.463 6 V N 1.758 121.681 119.914 0.016 0.000 2.628 6 V HA 0.778 4.898 4.120 -0.000 0.000 0.306 6 V C -0.493 175.605 176.094 0.007 0.000 1.045 6 V CA -0.519 61.786 62.300 0.008 0.000 0.905 6 V CB 1.607 33.424 31.823 -0.011 0.000 0.997 6 V HN 1.200 nan 8.190 nan 0.000 0.436 7 V N 2.906 122.825 119.914 0.008 0.000 2.891 7 V HA 0.923 5.043 4.120 -0.000 0.000 0.304 7 V C -0.056 176.040 176.094 0.003 0.000 1.171 7 V CA 0.316 62.620 62.300 0.007 0.000 0.943 7 V CB 1.979 33.810 31.823 0.014 0.000 1.037 7 V HN 1.045 nan 8.190 nan 0.000 0.427 8 G N 3.275 112.075 108.800 0.001 0.000 2.462 8 G HA2 0.626 4.586 3.960 -0.000 0.000 0.319 8 G HA3 0.626 4.586 3.960 -0.000 0.000 0.319 8 G C -1.042 173.858 174.900 0.000 0.000 1.171 8 G CA -0.562 44.537 45.100 -0.002 0.000 0.920 8 G HN 1.230 nan 8.290 nan 0.000 0.499 9 V N 1.586 121.497 119.914 -0.005 0.000 2.467 9 V HA 0.212 4.332 4.120 -0.000 0.000 0.260 9 V C -2.192 173.894 176.094 -0.013 0.000 0.963 9 V CA -0.908 61.389 62.300 -0.005 0.000 0.856 9 V CB 1.830 33.650 31.823 -0.004 0.000 1.087 9 V HN 0.568 nan 8.190 nan 0.000 0.467 10 P HA -0.026 nan 4.420 nan 0.000 0.234 10 P C 0.058 177.340 177.300 -0.031 0.000 1.457 10 P CA 0.665 63.754 63.100 -0.018 0.000 0.891 10 P CB -0.290 31.405 31.700 -0.009 0.000 1.734 11 M N 1.358 120.936 119.600 -0.037 0.000 2.113 11 M HA 0.259 4.739 4.480 -0.000 0.000 0.352 11 M C -0.526 175.730 176.300 -0.074 0.000 1.170 11 M CA -0.036 55.234 55.300 -0.050 0.000 1.053 11 M CB 0.769 33.349 32.600 -0.034 0.000 1.601 11 M HN -0.250 nan 8.290 nan 0.000 0.459 12 D N 6.840 127.181 120.400 -0.099 0.000 2.405 12 D HA 0.403 5.043 4.640 -0.000 0.000 0.264 12 D C -1.609 174.583 176.300 -0.180 0.000 1.240 12 D CA -0.031 53.895 54.000 -0.122 0.000 0.893 12 D CB 0.516 41.253 40.800 -0.105 0.000 1.198 12 D HN 0.643 nan 8.370 nan 0.000 0.514 20 V N 0.598 120.469 119.914 -0.072 0.000 3.026 20 V HA -0.056 4.064 4.120 -0.000 0.000 0.265 20 V C 2.261 178.317 176.094 -0.063 0.000 1.121 20 V CA 1.807 64.060 62.300 -0.078 0.000 1.142 20 V CB -0.519 31.236 31.823 -0.113 0.000 0.730 20 V HN 0.482 nan 8.190 nan 0.000 0.503 21 D N 0.458 120.823 120.400 -0.057 0.000 2.350 21 D HA -0.166 4.474 4.640 -0.000 0.000 0.216 21 D C 1.712 177.997 176.300 -0.025 0.000 0.968 21 D CA 0.918 54.892 54.000 -0.043 0.000 0.894 21 D CB -0.193 40.581 40.800 -0.044 0.000 0.909 21 D HN 0.493 nan 8.370 nan 0.000 0.520 22 M N 0.268 119.853 119.600 -0.024 0.000 2.495 22 M HA 0.210 4.690 4.480 -0.000 0.000 0.237 22 M C 2.034 178.332 176.300 -0.002 0.000 1.131 22 M CA 0.202 55.496 55.300 -0.009 0.000 1.032 22 M CB 0.638 33.227 32.600 -0.017 0.000 1.513 22 M HN 0.036 nan 8.290 nan 0.000 0.488 23 G N 2.304 111.094 108.800 -0.017 0.000 2.476 23 G HA2 -0.176 3.784 3.960 -0.000 0.000 0.218 23 G HA3 -0.176 3.784 3.960 -0.000 0.000 0.218 23 G C -1.074 173.826 174.900 0.001 0.000 1.164 23 G CA 0.768 45.857 45.100 -0.018 0.000 0.768 23 G HN 0.331 nan 8.290 nan 0.000 0.560 24 P HA -0.026 nan 4.420 nan 0.000 0.215 24 P C 2.339 179.669 177.300 0.050 0.000 1.157 24 P CA 1.639 64.747 63.100 0.014 0.000 0.863 24 P CB -0.060 31.644 31.700 0.007 0.000 0.787 25 S N -0.301 115.452 115.700 0.088 0.000 2.359 25 S HA -0.232 4.238 4.470 -0.000 0.000 0.223 25 S C 2.057 176.835 174.600 0.296 0.000 1.039 25 S CA 1.625 59.953 58.200 0.213 0.000 1.042 25 S CB -1.295 62.035 63.200 0.217 0.000 0.915 25 S HN 0.133 nan 8.310 nan 0.000 0.439 26 A N 1.488 124.401 122.820 0.155 0.000 1.884 26 A HA -0.150 4.170 4.320 -0.000 0.000 0.219 26 A C 2.159 179.813 177.584 0.117 0.000 1.197 26 A CA 1.737 53.843 52.037 0.116 0.000 0.637 26 A CB -1.005 18.018 19.000 0.039 0.000 0.827 26 A HN 0.470 nan 8.150 nan 0.000 0.450 27 L N -1.442 119.820 121.223 0.064 0.000 2.131 27 L HA -0.185 4.154 4.340 -0.000 0.000 0.210 27 L C 2.883 179.769 176.870 0.027 0.000 1.092 27 L CA 1.411 56.271 54.840 0.032 0.000 0.759 27 L CB -0.413 41.647 42.059 0.002 0.000 0.903 27 L HN 0.363 nan 8.230 nan 0.000 0.435 28 R N -1.101 119.414 120.500 0.024 0.000 2.057 28 R HA -0.134 4.206 4.340 -0.000 0.000 0.229 28 R C 2.283 178.523 176.300 -0.100 0.000 1.136 28 R CA 1.462 57.522 56.100 -0.066 0.000 0.952 28 R CB -0.430 29.789 30.300 -0.134 0.000 0.848 28 R HN 0.225 nan 8.270 nan 0.000 0.430 29 Y N 0.322 120.618 120.300 -0.008 0.000 2.465 29 Y HA -0.132 4.418 4.550 -0.000 0.000 0.289 29 Y C 2.034 177.931 175.900 -0.004 0.000 1.150 29 Y CA 0.949 59.045 58.100 -0.005 0.000 1.293 29 Y CB -0.103 38.354 38.460 -0.006 0.000 0.977 29 Y HN 0.154 nan 8.280 nan 0.000 0.556 30 A N 0.119 123.008 122.820 0.116 0.000 2.276 30 A HA 0.095 4.415 4.320 -0.000 0.000 0.212 30 A C 0.793 178.398 177.584 0.035 0.000 1.230 30 A CA -0.073 52.006 52.037 0.070 0.000 0.844 30 A CB -0.669 18.364 19.000 0.055 0.000 0.860 30 A HN 0.437 nan 8.150 nan 0.000 0.486 31 R N -2.145 118.362 120.500 0.013 0.000 3.209 31 R HA -0.191 4.149 4.340 -0.000 0.000 0.252 31 R C 0.647 176.942 176.300 -0.009 0.000 0.958 31 R CA 0.587 56.682 56.100 -0.008 0.000 0.651 31 R CB -2.064 28.239 30.300 0.004 0.000 1.142 31 R HN 0.524 nan 8.270 nan 0.000 0.441 32 L N -0.229 120.983 121.223 -0.019 0.000 2.131 32 L HA 0.041 4.381 4.340 -0.000 0.000 0.206 32 L C 1.780 178.632 176.870 -0.031 0.000 1.087 32 L CA 1.467 56.293 54.840 -0.023 0.000 0.767 32 L CB -0.115 41.926 42.059 -0.030 0.000 0.917 32 L HN 0.461 nan 8.230 nan 0.000 0.441 33 L N -0.228 120.974 121.223 -0.035 0.000 1.973 33 L HA -0.192 4.148 4.340 -0.000 0.000 0.208 33 L C 2.521 179.383 176.870 -0.013 0.000 1.073 33 L CA 1.789 56.611 54.840 -0.031 0.000 0.746 33 L CB -0.448 41.587 42.059 -0.039 0.000 0.891 33 L HN 0.239 nan 8.230 nan 0.000 0.433 34 E N -0.596 119.596 120.200 -0.015 0.000 2.097 34 E HA -0.292 4.058 4.350 -0.000 0.000 0.196 34 E C 2.161 178.766 176.600 0.009 0.000 1.000 34 E CA 1.490 57.888 56.400 -0.004 0.000 0.804 34 E CB -0.231 29.464 29.700 -0.008 0.000 0.740 34 E HN 0.527 nan 8.360 nan 0.000 0.454 35 Q N -0.216 119.589 119.800 0.007 0.000 2.230 35 Q HA -0.022 4.318 4.340 -0.000 0.000 0.202 35 Q C 2.184 178.206 176.000 0.035 0.000 0.963 35 Q CA 0.661 56.474 55.803 0.018 0.000 0.866 35 Q CB -0.004 28.742 28.738 0.015 0.000 0.931 35 Q HN 0.322 nan 8.270 nan 0.000 0.452 36 L N 0.430 121.671 121.223 0.031 0.000 2.093 36 L HA -0.169 4.171 4.340 -0.000 0.000 0.208 36 L C 2.098 179.063 176.870 0.158 0.000 1.085 36 L CA 1.083 55.970 54.840 0.079 0.000 0.755 36 L CB -0.189 41.853 42.059 -0.028 0.000 0.904 36 L HN 0.212 nan 8.230 nan 0.000 0.435 37 E N 0.015 120.265 120.200 0.084 0.000 2.051 37 E HA -0.223 4.127 4.350 -0.000 0.000 0.192 37 E C 1.701 178.326 176.600 0.041 0.000 0.991 37 E CA 1.269 57.709 56.400 0.068 0.000 0.799 37 E CB -0.064 29.657 29.700 0.035 0.000 0.748 37 E HN 0.424 nan 8.360 nan 0.000 0.449 38 D N 0.563 120.981 120.400 0.031 0.000 2.228 38 D HA -0.160 4.480 4.640 -0.000 0.000 0.203 38 D C 1.595 177.901 176.300 0.009 0.000 0.988 38 D CA 0.740 54.749 54.000 0.015 0.000 0.864 38 D CB -0.011 40.798 40.800 0.015 0.000 0.928 38 D HN 0.078 nan 8.370 nan 0.000 0.469 39 L N -0.729 120.515 121.223 0.035 0.000 2.599 39 L HA 0.194 4.534 4.340 -0.000 0.000 0.230 39 L C 1.591 178.396 176.870 -0.108 0.000 1.141 39 L CA 0.965 55.813 54.840 0.014 0.000 0.877 39 L CB -0.068 42.063 42.059 0.121 0.000 1.009 39 L HN 0.202 nan 8.230 nan 0.000 0.447 40 G N -2.736 106.001 108.800 -0.104 0.000 2.195 40 G HA2 -0.300 3.659 3.960 -0.000 0.000 0.224 40 G HA3 -0.300 3.659 3.960 -0.000 0.000 0.224 40 G C 0.160 174.893 174.900 -0.278 0.000 0.990 40 G CA -0.004 44.975 45.100 -0.203 0.000 0.639 40 G HN 0.250 nan 8.290 nan 0.000 0.514 41 Y N 1.451 121.728 120.300 -0.039 0.000 2.300 41 Y HA 0.524 5.074 4.550 -0.000 0.000 0.328 41 Y C 1.257 177.143 175.900 -0.025 0.000 1.270 41 Y CA 0.574 58.651 58.100 -0.038 0.000 1.352 41 Y CB 1.155 39.579 38.460 -0.060 0.000 1.286 41 Y HN 0.230 nan 8.280 nan 0.000 0.536 42 T N -0.005 114.639 114.554 0.152 0.000 2.788 42 T HA 0.695 5.045 4.350 -0.000 0.000 0.296 42 T C -0.818 173.940 174.700 0.096 0.000 1.009 42 T CA -0.673 61.477 62.100 0.084 0.000 0.949 42 T CB -0.110 68.789 68.868 0.051 0.000 0.946 42 T HN 0.356 nan 8.240 nan 0.000 0.453 43 V N 3.052 123.007 119.914 0.068 0.000 2.966 43 V HA 0.686 4.806 4.120 -0.000 0.000 0.317 43 V C 0.096 176.204 176.094 0.024 0.000 1.070 43 V CA -0.929 61.396 62.300 0.041 0.000 1.008 43 V CB 1.764 33.597 31.823 0.017 0.000 1.070 43 V HN 1.001 nan 8.190 nan 0.000 0.457 44 E N 1.188 121.398 120.200 0.017 0.000 2.287 44 E HA 0.198 4.548 4.350 -0.000 0.000 0.274 44 E C -1.829 174.774 176.600 0.005 0.000 0.896 44 E CA -0.534 55.873 56.400 0.012 0.000 0.788 44 E CB 1.731 31.443 29.700 0.021 0.000 1.244 44 E HN 0.756 nan 8.360 nan 0.000 0.408 45 D N 5.029 125.426 120.400 -0.004 0.000 2.316 45 D HA 0.153 4.793 4.640 -0.000 0.000 0.245 45 D C 0.758 177.056 176.300 -0.003 0.000 1.171 45 D CA -0.183 53.811 54.000 -0.010 0.000 0.856 45 D CB 1.009 41.795 40.800 -0.024 0.000 1.090 45 D HN 0.559 nan 8.370 nan 0.000 0.476 46 L N 3.431 124.655 121.223 0.002 0.000 2.627 46 L HA 0.221 4.561 4.340 -0.000 0.000 0.232 46 L C 1.566 178.439 176.870 0.004 0.000 1.150 46 L CA -0.012 54.831 54.840 0.006 0.000 0.917 46 L CB -0.707 41.360 42.059 0.012 0.000 1.104 46 L HN 0.638 nan 8.230 nan 0.000 0.445 47 G N 0.551 109.350 108.800 -0.002 0.000 2.553 47 G HA2 -0.224 3.736 3.960 -0.000 0.000 0.242 47 G HA3 -0.224 3.736 3.960 -0.000 0.000 0.242 47 G C -0.817 174.084 174.900 0.002 0.000 1.277 47 G CA -0.429 44.671 45.100 -0.001 0.000 0.910 47 G HN 0.239 nan 8.290 nan 0.000 0.576 48 D N -0.663 119.740 120.400 0.006 0.000 2.433 48 D HA 0.582 5.222 4.640 -0.000 0.000 0.236 48 D C 0.259 176.565 176.300 0.011 0.000 1.026 48 D CA -0.355 53.650 54.000 0.008 0.000 0.884 48 D CB 1.925 42.730 40.800 0.007 0.000 1.384 48 D HN 0.421 nan 8.370 nan 0.000 0.477 49 V N 2.541 122.463 119.914 0.013 0.000 2.649 49 V HA 0.253 4.373 4.120 -0.000 0.000 0.292 49 V C -2.009 174.095 176.094 0.016 0.000 1.055 49 V CA -1.124 61.187 62.300 0.018 0.000 1.023 49 V CB 1.047 32.882 31.823 0.021 0.000 0.992 49 V HN 0.411 nan 8.190 nan 0.000 0.480 50 P HA 0.358 nan 4.420 nan 0.000 0.281 50 P C -1.069 176.243 177.300 0.020 0.000 1.252 50 P CA -0.179 62.932 63.100 0.018 0.000 0.778 50 P CB 0.989 32.701 31.700 0.020 0.000 0.895 51 V N 2.340 122.263 119.914 0.014 0.000 2.531 51 V HA 0.699 4.819 4.120 -0.000 0.000 0.301 51 V C 0.438 176.540 176.094 0.013 0.000 1.034 51 V CA 0.102 62.409 62.300 0.012 0.000 0.865 51 V CB 1.073 32.895 31.823 -0.003 0.000 0.995 51 V HN 0.783 nan 8.190 nan 0.000 0.424 65 A N 0.357 123.155 122.820 -0.038 0.000 2.610 65 A HA 0.055 4.375 4.320 -0.000 0.000 0.250 65 A C 0.113 177.763 177.584 0.110 0.000 0.978 65 A CA 1.382 53.404 52.037 -0.024 0.000 0.827 65 A CB -1.365 17.667 19.000 0.052 0.000 0.867 65 A HN 0.723 nan 8.150 nan 0.000 0.495 66 Y N -0.766 119.518 120.300 -0.028 0.000 4.851 66 Y HA -0.300 4.250 4.550 -0.000 0.000 0.235 66 Y C 1.355 177.241 175.900 -0.023 0.000 0.998 66 Y CA 0.897 58.987 58.100 -0.016 0.000 1.980 66 Y CB -2.250 36.210 38.460 0.001 0.000 1.561 66 Y HN 0.688 nan 8.280 nan 0.000 0.585 67 L N 0.754 122.012 121.223 0.059 0.000 1.965 67 L HA -0.333 4.007 4.340 -0.000 0.000 0.226 67 L C 2.393 179.289 176.870 0.044 0.000 1.083 67 L CA 2.566 57.406 54.840 0.000 0.000 0.790 67 L CB -0.337 41.641 42.059 -0.135 0.000 0.898 67 L HN 0.214 nan 8.230 nan 0.000 0.439 68 E N -0.170 120.047 120.200 0.028 0.000 2.147 68 E HA -0.286 4.064 4.350 -0.000 0.000 0.199 68 E C 2.087 178.735 176.600 0.080 0.000 1.005 68 E CA 1.902 58.332 56.400 0.050 0.000 0.810 68 E CB -0.312 29.405 29.700 0.030 0.000 0.736 68 E HN 0.648 nan 8.360 nan 0.000 0.460 69 E N 0.055 120.318 120.200 0.104 0.000 2.152 69 E HA -0.014 4.336 4.350 -0.000 0.000 0.192 69 E C 2.179 178.838 176.600 0.098 0.000 0.983 69 E CA 0.433 56.902 56.400 0.114 0.000 0.818 69 E CB -0.098 29.707 29.700 0.174 0.000 0.758 69 E HN 0.265 nan 8.360 nan 0.000 0.467 70 I N 0.404 121.035 120.570 0.101 0.000 2.353 70 I HA -0.189 3.981 4.170 -0.000 0.000 0.248 70 I C 2.537 178.718 176.117 0.108 0.000 1.119 70 I CA 0.711 62.055 61.300 0.072 0.000 1.417 70 I CB -0.090 37.944 38.000 0.056 0.000 1.078 70 I HN 0.021 nan 8.210 nan 0.000 0.421 71 R N 1.131 121.725 120.500 0.156 0.000 2.091 71 R HA -0.209 4.131 4.340 -0.000 0.000 0.238 71 R C 2.329 178.788 176.300 0.265 0.000 1.136 71 R CA 1.726 57.993 56.100 0.280 0.000 0.959 71 R CB -0.217 30.196 30.300 0.190 0.000 0.856 71 R HN 0.363 nan 8.270 nan 0.000 0.437 72 A N 0.629 123.540 122.820 0.151 0.000 1.841 72 A HA -0.089 4.231 4.320 -0.000 0.000 0.214 72 A C 2.374 180.030 177.584 0.119 0.000 1.195 72 A CA 1.685 53.792 52.037 0.116 0.000 0.611 72 A CB -1.011 18.036 19.000 0.078 0.000 0.835 72 A HN 0.521 nan 8.150 nan 0.000 0.443 73 A N -0.157 122.719 122.820 0.094 0.000 1.883 73 A HA 0.117 4.437 4.320 -0.000 0.000 0.217 73 A C 2.525 180.159 177.584 0.083 0.000 1.186 73 A CA 2.365 54.444 52.037 0.070 0.000 0.624 73 A CB -1.171 17.854 19.000 0.041 0.000 0.822 73 A HN 1.195 nan 8.150 nan 0.000 0.444 74 A N -0.987 121.885 122.820 0.087 0.000 1.986 74 A HA -0.080 4.240 4.320 -0.000 0.000 0.220 74 A C 2.099 179.844 177.584 0.268 0.000 1.171 74 A CA 1.892 53.945 52.037 0.028 0.000 0.640 74 A CB -0.472 18.376 19.000 -0.254 0.000 0.811 74 A HN 0.512 nan 8.150 nan 0.000 0.451 75 L N -0.487 120.958 121.223 0.371 0.000 2.068 75 L HA 0.002 4.342 4.340 -0.000 0.000 0.204 75 L C 2.425 179.387 176.870 0.154 0.000 1.076 75 L CA 1.499 56.517 54.840 0.297 0.000 0.753 75 L CB -0.657 41.507 42.059 0.175 0.000 0.910 75 L HN 0.160 nan 8.230 nan 0.000 0.439 76 V N -0.154 119.827 119.914 0.111 0.000 2.688 76 V HA -0.245 3.874 4.120 -0.000 0.000 0.256 76 V C 2.363 178.498 176.094 0.067 0.000 1.084 76 V CA 1.595 63.938 62.300 0.072 0.000 1.103 76 V CB -0.600 31.257 31.823 0.056 0.000 0.688 76 V HN 0.463 nan 8.190 nan 0.000 0.480 77 L N 0.140 121.412 121.223 0.082 0.000 2.168 77 L HA 0.046 4.386 4.340 -0.000 0.000 0.203 77 L C 2.348 179.262 176.870 0.074 0.000 1.078 77 L CA 1.870 56.748 54.840 0.064 0.000 0.780 77 L CB -0.697 41.391 42.059 0.048 0.000 0.939 77 L HN 0.178 nan 8.230 nan 0.000 0.451 78 K N -0.366 120.105 120.400 0.118 0.000 2.152 78 K HA -0.248 4.072 4.320 -0.000 0.000 0.206 78 K C 1.896 178.542 176.600 0.076 0.000 1.048 78 K CA 1.874 58.234 56.287 0.120 0.000 0.933 78 K CB -0.006 32.617 32.500 0.204 0.000 0.721 78 K HN 0.476 nan 8.250 nan 0.000 0.447 79 E N -0.094 120.148 120.200 0.070 0.000 2.015 79 E HA -0.174 4.176 4.350 -0.000 0.000 0.191 79 E C 2.075 178.697 176.600 0.037 0.000 0.991 79 E CA 0.970 57.397 56.400 0.046 0.000 0.802 79 E CB -0.034 29.690 29.700 0.041 0.000 0.759 79 E HN 0.064 nan 8.360 nan 0.000 0.447 80 R N 0.740 121.263 120.500 0.038 0.000 2.105 80 R HA -0.096 4.244 4.340 -0.000 0.000 0.239 80 R C 2.041 178.357 176.300 0.028 0.000 1.135 80 R CA 1.267 57.386 56.100 0.030 0.000 0.967 80 R CB -0.565 29.753 30.300 0.029 0.000 0.861 80 R HN 0.221 nan 8.270 nan 0.000 0.442 81 L N -0.881 120.360 121.223 0.031 0.000 2.072 81 L HA -0.014 4.326 4.340 -0.000 0.000 0.205 81 L C 2.379 179.261 176.870 0.020 0.000 1.079 81 L CA 1.247 56.102 54.840 0.025 0.000 0.752 81 L CB -0.714 41.360 42.059 0.025 0.000 0.906 81 L HN 0.267 nan 8.230 nan 0.000 0.436 82 A N 0.339 123.173 122.820 0.023 0.000 1.933 82 A HA -0.156 4.163 4.320 -0.000 0.000 0.218 82 A C 2.447 180.040 177.584 0.016 0.000 1.175 82 A CA 1.607 53.655 52.037 0.018 0.000 0.628 82 A CB -0.619 18.394 19.000 0.020 0.000 0.814 82 A HN 0.394 nan 8.150 nan 0.000 0.444 83 A N -0.780 122.051 122.820 0.018 0.000 2.178 83 A HA 0.243 4.563 4.320 -0.000 0.000 0.218 83 A C 0.909 178.504 177.584 0.018 0.000 1.157 83 A CA 0.401 52.448 52.037 0.017 0.000 0.689 83 A CB -0.666 18.345 19.000 0.018 0.000 0.787 83 A HN 0.459 nan 8.150 nan 0.000 0.465 84 L N 0.096 121.330 121.223 0.019 0.000 2.417 84 L HA 0.308 4.648 4.340 -0.000 0.000 0.268 84 L C -2.142 174.742 176.870 0.022 0.000 1.158 84 L CA -1.928 52.925 54.840 0.022 0.000 0.819 84 L CB -0.215 41.859 42.059 0.025 0.000 1.112 84 L HN -0.029 nan 8.230 nan 0.000 0.458 85 P HA -0.024 nan 4.420 nan 0.000 0.265 85 P C -0.612 176.705 177.300 0.029 0.000 1.187 85 P CA -0.044 63.072 63.100 0.026 0.000 0.766 85 P CB 0.321 32.039 31.700 0.029 0.000 0.820 86 E N 1.513 121.728 120.200 0.026 0.000 2.415 86 E HA 0.191 4.541 4.350 -0.000 0.000 0.263 86 E C 1.226 177.849 176.600 0.038 0.000 0.995 86 E CA 1.278 57.694 56.400 0.027 0.000 0.915 86 E CB 0.185 29.898 29.700 0.023 0.000 0.951 86 E HN 0.810 nan 8.360 nan 0.000 0.449 87 G N 2.055 110.884 108.800 0.048 0.000 2.255 87 G HA2 -0.237 3.723 3.960 -0.000 0.000 0.196 87 G HA3 -0.237 3.723 3.960 -0.000 0.000 0.196 87 G C 0.076 175.036 174.900 0.100 0.000 0.998 87 G CA -0.222 44.921 45.100 0.071 0.000 0.656 87 G HN 0.415 nan 8.290 nan 0.000 0.490 88 V N 2.580 122.545 119.914 0.085 0.000 2.304 88 V HA 0.463 4.583 4.120 -0.000 0.000 0.262 88 V C 0.450 176.622 176.094 0.130 0.000 1.061 88 V CA -0.663 61.703 62.300 0.109 0.000 0.872 88 V CB 0.494 32.362 31.823 0.076 0.000 1.077 88 V HN 0.365 nan 8.190 nan 0.000 0.480 89 F N 9.455 129.412 119.950 0.012 0.000 2.569 89 F HA 0.157 4.684 4.527 -0.000 0.000 0.395 89 F C -1.518 174.262 175.800 -0.032 0.000 1.028 89 F CA -0.971 57.020 58.000 -0.015 0.000 1.158 89 F CB 0.640 39.609 39.000 -0.052 0.000 1.023 89 F HN 0.323 nan 8.300 nan 0.000 0.547 90 P HA 0.378 nan 4.420 nan 0.000 0.287 90 P C -0.958 176.412 177.300 0.116 0.000 1.270 90 P CA -0.352 62.784 63.100 0.060 0.000 0.844 90 P CB 2.248 33.944 31.700 -0.007 0.000 1.068 91 I N 1.455 122.088 120.570 0.104 0.000 2.531 91 I HA 0.201 4.371 4.170 -0.000 0.000 0.283 91 I C -0.469 175.669 176.117 0.035 0.000 1.083 91 I CA -0.969 60.381 61.300 0.084 0.000 1.071 91 I CB 2.247 40.287 38.000 0.066 0.000 1.210 91 I HN -0.037 nan 8.210 nan 0.000 0.450 92 V N 6.967 126.896 119.914 0.025 0.000 2.439 92 V HA 0.470 4.590 4.120 -0.000 0.000 0.282 92 V C 0.172 176.262 176.094 -0.007 0.000 1.039 92 V CA -0.421 61.888 62.300 0.015 0.000 0.913 92 V CB 1.752 33.592 31.823 0.030 0.000 0.983 92 V HN 0.452 nan 8.190 nan 0.000 0.460 93 L N 3.975 125.191 121.223 -0.012 0.000 2.334 93 L HA 1.001 5.341 4.340 -0.000 0.000 0.272 93 L C 0.648 177.502 176.870 -0.026 0.000 1.020 93 L CA -0.180 54.644 54.840 -0.026 0.000 0.812 93 L CB 1.787 43.833 42.059 -0.021 0.000 1.264 93 L HN 0.809 nan 8.230 nan 0.000 0.439 94 G N -0.196 108.579 108.800 -0.042 0.000 2.664 94 G HA2 0.619 4.579 3.960 -0.000 0.000 0.303 94 G HA3 0.619 4.579 3.960 -0.000 0.000 0.303 94 G C -0.736 174.131 174.900 -0.055 0.000 1.243 94 G CA 0.135 45.210 45.100 -0.040 0.000 0.826 94 G HN 0.792 nan 8.290 nan 0.000 0.498 95 G N -1.045 107.720 108.800 -0.057 0.000 3.414 95 G HA2 0.479 4.439 3.960 -0.000 0.000 0.196 95 G HA3 0.479 4.439 3.960 -0.000 0.000 0.196 95 G C -0.647 174.200 174.900 -0.089 0.000 1.486 95 G CA -0.083 44.971 45.100 -0.077 0.000 0.811 95 G HN 0.555 nan 8.290 nan 0.000 0.704 96 D N -0.278 120.065 120.400 -0.094 0.000 2.515 96 D HA -0.067 4.573 4.640 -0.000 0.000 0.230 96 D C 0.708 177.035 176.300 0.045 0.000 1.181 96 D CA 0.605 54.557 54.000 -0.081 0.000 0.875 96 D CB 0.606 41.395 40.800 -0.017 0.000 1.213 96 D HN 0.531 nan 8.370 nan 0.000 0.478 97 H N -0.083 118.993 119.070 0.009 0.000 2.559 97 H HA -0.043 4.513 4.556 -0.000 0.000 0.273 97 H C 1.504 176.890 175.328 0.096 0.000 1.000 97 H CA 0.192 56.272 56.048 0.053 0.000 1.195 97 H CB 0.478 30.323 29.762 0.137 0.000 1.368 97 H HN 0.228 nan 8.280 nan 0.000 0.592 98 S N 0.848 116.666 115.700 0.197 0.000 2.382 98 S HA -0.192 4.278 4.470 -0.000 0.000 0.228 98 S C 2.170 176.769 174.600 -0.001 0.000 1.027 98 S CA 1.212 59.460 58.200 0.079 0.000 0.991 98 S CB -0.315 62.917 63.200 0.055 0.000 0.823 98 S HN 0.502 nan 8.310 nan 0.000 0.469 99 L N 1.410 122.646 121.223 0.021 0.000 2.151 99 L HA -0.111 4.229 4.340 -0.000 0.000 0.215 99 L C 1.906 178.764 176.870 -0.021 0.000 1.084 99 L CA 1.792 56.624 54.840 -0.014 0.000 0.764 99 L CB -1.468 40.596 42.059 0.010 0.000 0.891 99 L HN 0.027 nan 8.230 nan 0.000 0.435 100 S N -0.446 115.287 115.700 0.055 0.000 2.419 100 S HA -0.114 4.356 4.470 -0.000 0.000 0.235 100 S C 1.869 176.459 174.600 -0.016 0.000 1.019 100 S CA 1.874 60.124 58.200 0.084 0.000 0.982 100 S CB -0.437 62.890 63.200 0.212 0.000 0.789 100 S HN 0.525 nan 8.310 nan 0.000 0.490 101 M N 0.454 119.960 119.600 -0.157 0.000 2.108 101 M HA -0.111 4.369 4.480 -0.000 0.000 0.261 101 M C 2.354 178.403 176.300 -0.418 0.000 1.066 101 M CA 1.687 56.766 55.300 -0.370 0.000 1.107 101 M CB -0.616 31.523 32.600 -0.769 0.000 1.356 101 M HN 0.463 nan 8.290 nan 0.000 0.406 102 G N -0.751 107.805 108.800 -0.406 0.000 2.411 102 G HA2 -0.127 3.833 3.960 -0.000 0.000 0.213 102 G HA3 -0.127 3.833 3.960 -0.000 0.000 0.213 102 G C 1.591 176.487 174.900 -0.006 0.000 1.166 102 G CA 0.740 45.772 45.100 -0.114 0.000 0.802 102 G HN 0.543 nan 8.290 nan 0.000 0.533 103 S N 0.626 116.311 115.700 -0.025 0.000 2.368 103 S HA -0.104 4.366 4.470 -0.000 0.000 0.225 103 S C 2.278 176.835 174.600 -0.071 0.000 1.030 103 S CA 1.440 59.643 58.200 0.006 0.000 0.999 103 S CB -0.577 62.663 63.200 0.067 0.000 0.844 103 S HN 0.072 nan 8.310 nan 0.000 0.459 104 V N 2.667 122.467 119.914 -0.189 0.000 2.307 104 V HA -0.070 4.050 4.120 -0.000 0.000 0.245 104 V C 3.159 179.160 176.094 -0.156 0.000 1.045 104 V CA 1.574 63.629 62.300 -0.408 0.000 1.024 104 V CB -1.547 30.064 31.823 -0.353 0.000 0.651 104 V HN 0.666 nan 8.190 nan 0.000 0.449 105 A N 0.611 123.412 122.820 -0.031 0.000 1.851 105 A HA -0.128 4.192 4.320 -0.000 0.000 0.216 105 A C 2.423 180.028 177.584 0.036 0.000 1.195 105 A CA 2.228 54.295 52.037 0.051 0.000 0.622 105 A CB -1.443 17.674 19.000 0.195 0.000 0.831 105 A HN 0.510 nan 8.150 nan 0.000 0.444 106 G N -0.628 108.201 108.800 0.049 0.000 2.480 106 G HA2 -0.020 3.940 3.960 -0.000 0.000 0.216 106 G HA3 -0.020 3.940 3.960 -0.000 0.000 0.216 106 G C 1.792 176.697 174.900 0.009 0.000 1.200 106 G CA 1.767 46.890 45.100 0.038 0.000 0.782 106 G HN 1.001 nan 8.290 nan 0.000 0.554 107 A N 0.867 123.682 122.820 -0.008 0.000 2.093 107 A HA 0.147 4.467 4.320 -0.000 0.000 0.222 107 A C 2.648 180.220 177.584 -0.020 0.000 1.162 107 A CA 2.350 54.379 52.037 -0.013 0.000 0.655 107 A CB -0.544 18.464 19.000 0.013 0.000 0.805 107 A HN 0.914 nan 8.150 nan 0.000 0.461 108 A N -0.857 121.947 122.820 -0.026 0.000 2.067 108 A HA 0.158 4.478 4.320 -0.000 0.000 0.217 108 A C 1.259 178.840 177.584 -0.003 0.000 1.156 108 A CA 0.701 52.730 52.037 -0.014 0.000 0.683 108 A CB -0.267 18.724 19.000 -0.015 0.000 0.808 108 A HN 0.580 nan 8.150 nan 0.000 0.455 109 R N -1.802 118.699 120.500 0.000 0.000 3.387 109 R HA -0.245 4.095 4.340 -0.000 0.000 0.254 109 R C 1.141 177.443 176.300 0.004 0.000 1.006 109 R CA 0.542 56.645 56.100 0.004 0.000 0.677 109 R CB -2.516 27.785 30.300 0.003 0.000 1.063 109 R HN 1.485 nan 8.270 nan 0.000 0.453 110 G N -1.212 107.591 108.800 0.005 0.000 2.396 110 G HA2 -0.406 3.554 3.960 -0.000 0.000 0.242 110 G HA3 -0.406 3.554 3.960 -0.000 0.000 0.242 110 G C 0.486 175.389 174.900 0.005 0.000 1.069 110 G CA 0.371 45.474 45.100 0.004 0.000 0.633 110 G HN 0.342 nan 8.290 nan 0.000 0.517 111 R N 1.126 121.629 120.500 0.005 0.000 2.861 111 R HA 0.244 4.583 4.340 -0.000 0.000 0.268 111 R C 0.884 177.189 176.300 0.008 0.000 1.027 111 R CA -0.149 55.955 56.100 0.007 0.000 1.163 111 R CB 0.171 30.475 30.300 0.007 0.000 1.060 111 R HN 0.533 nan 8.270 nan 0.000 0.483 112 R N 1.809 122.315 120.500 0.010 0.000 2.196 112 R HA 0.238 4.578 4.340 -0.000 0.000 0.340 112 R C -0.593 175.718 176.300 0.018 0.000 1.043 112 R CA -0.376 55.732 56.100 0.012 0.000 0.883 112 R CB 0.333 30.638 30.300 0.008 0.000 1.078 112 R HN 0.386 nan 8.270 nan 0.000 0.462 113 V N 1.229 121.158 119.914 0.025 0.000 2.823 113 V HA 0.837 4.957 4.120 -0.000 0.000 0.312 113 V C -0.040 176.089 176.094 0.060 0.000 1.072 113 V CA -0.693 61.632 62.300 0.041 0.000 0.937 113 V CB 1.842 33.691 31.823 0.044 0.000 1.013 113 V HN 0.757 nan 8.190 nan 0.000 0.430 114 G N 1.953 110.800 108.800 0.077 0.000 2.400 114 G HA2 0.590 4.550 3.960 -0.000 0.000 0.301 114 G HA3 0.590 4.550 3.960 -0.000 0.000 0.301 114 G C -0.905 174.087 174.900 0.154 0.000 1.154 114 G CA -0.653 44.508 45.100 0.101 0.000 0.852 114 G HN 1.127 nan 8.290 nan 0.000 0.511 115 V N 1.912 121.938 119.914 0.187 0.000 2.384 115 V HA 0.309 4.429 4.120 -0.000 0.000 0.287 115 V C -0.145 176.119 176.094 0.284 0.000 1.020 115 V CA -0.690 61.776 62.300 0.277 0.000 0.850 115 V CB 1.591 33.605 31.823 0.318 0.000 0.987 115 V HN 0.500 nan 8.190 nan 0.000 0.436 116 V N 4.668 124.738 119.914 0.260 0.000 2.333 116 V HA 0.289 4.409 4.120 -0.000 0.000 0.274 116 V C -0.365 175.900 176.094 0.285 0.000 1.028 116 V CA -0.479 61.959 62.300 0.229 0.000 0.851 116 V CB 1.301 33.204 31.823 0.134 0.000 1.000 116 V HN 0.908 nan 8.190 nan 0.000 0.456 117 W N 6.108 127.473 121.300 0.108 0.000 2.288 117 W HA 0.468 5.128 4.660 -0.000 0.000 0.325 117 W C -0.797 175.789 176.519 0.111 0.000 1.019 117 W CA -0.565 56.852 57.345 0.120 0.000 1.403 117 W CB 1.722 31.245 29.460 0.105 0.000 1.226 117 W HN 0.369 nan 8.180 nan 0.000 0.391 118 V N 6.341 126.295 119.914 0.068 0.000 2.258 118 V HA 0.120 4.240 4.120 -0.000 0.000 0.258 118 V C 0.042 176.159 176.094 0.037 0.000 1.121 118 V CA 0.087 62.424 62.300 0.062 0.000 0.942 118 V CB 0.437 32.254 31.823 -0.010 0.000 1.170 118 V HN 0.377 nan 8.190 nan 0.000 0.487 119 D N 2.520 123.036 120.400 0.192 0.000 2.523 119 D HA 0.655 5.295 4.640 -0.000 0.000 0.236 119 D C 0.661 177.081 176.300 0.199 0.000 1.094 119 D CA -0.134 54.012 54.000 0.244 0.000 0.942 119 D CB 2.972 44.098 40.800 0.544 0.000 1.447 119 D HN 0.285 nan 8.370 nan 0.000 0.479 120 A N 1.134 124.043 122.820 0.148 0.000 2.030 120 A HA 0.069 4.389 4.320 -0.000 0.000 0.215 120 A C 0.457 177.989 177.584 -0.085 0.000 1.164 120 A CA 0.930 52.959 52.037 -0.013 0.000 0.697 120 A CB -0.342 18.588 19.000 -0.116 0.000 0.827 120 A HN 0.592 nan 8.150 nan 0.000 0.457 121 H N -2.660 116.521 119.070 0.185 0.000 2.517 121 H HA 0.623 5.179 4.556 -0.000 0.000 0.346 121 H C 0.930 176.402 175.328 0.241 0.000 1.222 121 H CA 0.084 56.247 56.048 0.193 0.000 1.314 121 H CB 1.352 31.239 29.762 0.208 0.000 1.609 121 H HN 0.104 nan 8.280 nan 0.000 0.571 122 A N 0.238 123.235 122.820 0.294 0.000 2.308 122 A HA 0.056 4.376 4.320 -0.000 0.000 0.217 122 A C 0.159 177.806 177.584 0.105 0.000 1.216 122 A CA 0.034 52.158 52.037 0.146 0.000 0.864 122 A CB -0.246 18.778 19.000 0.040 0.000 0.902 122 A HN 0.830 nan 8.150 nan 0.000 0.499 123 D N -1.477 119.054 120.400 0.218 0.000 2.730 123 D HA -0.219 4.421 4.640 -0.000 0.000 0.227 123 D C -0.282 176.030 176.300 0.020 0.000 1.196 123 D CA 0.967 55.047 54.000 0.133 0.000 0.620 123 D CB -1.101 39.840 40.800 0.235 0.000 1.012 123 D HN 0.494 nan 8.370 nan 0.000 0.411 124 F N 0.561 120.439 119.950 -0.121 0.000 2.881 124 F HA 0.247 4.774 4.527 -0.000 0.000 0.343 124 F C 0.589 176.340 175.800 -0.082 0.000 1.233 124 F CA -0.623 57.290 58.000 -0.145 0.000 1.262 124 F CB 0.164 39.073 39.000 -0.152 0.000 0.980 124 F HN -0.220 nan 8.300 nan 0.000 0.506 125 N N -0.360 118.303 118.700 -0.062 0.000 2.489 125 N HA 0.505 5.245 4.740 -0.000 0.000 0.284 125 N C -0.061 175.367 175.510 -0.137 0.000 1.158 125 N CA -0.272 52.737 53.050 -0.068 0.000 0.965 125 N CB 1.183 39.654 38.487 -0.025 0.000 1.195 125 N HN 0.181 nan 8.380 nan 0.000 0.506 126 T N -2.560 111.935 114.554 -0.098 0.000 2.910 126 T HA 0.409 4.759 4.350 -0.000 0.000 0.287 126 T C -2.227 172.449 174.700 -0.040 0.000 1.050 126 T CA -1.851 60.197 62.100 -0.086 0.000 1.011 126 T CB 1.809 70.626 68.868 -0.084 0.000 1.195 126 T HN 0.116 nan 8.240 nan 0.000 0.540 127 P HA -0.007 nan 4.420 nan 0.000 0.220 127 P C 1.045 178.343 177.300 -0.002 0.000 1.148 127 P CA 0.875 63.979 63.100 0.006 0.000 0.803 127 P CB 0.117 31.849 31.700 0.054 0.000 0.782 128 E N -0.703 119.491 120.200 -0.009 0.000 2.001 128 E HA -0.145 4.205 4.350 -0.000 0.000 0.195 128 E C 2.036 178.632 176.600 -0.007 0.000 1.002 128 E CA 2.074 58.469 56.400 -0.009 0.000 0.819 128 E CB -1.709 27.982 29.700 -0.014 0.000 0.769 128 E HN 0.296 nan 8.360 nan 0.000 0.454 129 T N -2.407 112.141 114.554 -0.010 0.000 3.051 129 T HA 0.115 4.465 4.350 -0.000 0.000 0.269 129 T C 0.742 175.443 174.700 0.002 0.000 1.127 129 T CA 0.596 62.696 62.100 -0.000 0.000 1.107 129 T CB -0.025 68.847 68.868 0.007 0.000 0.898 129 T HN 0.107 nan 8.240 nan 0.000 0.517 133 G N 1.235 110.012 108.800 -0.038 0.000 2.225 133 G HA2 -0.249 3.711 3.960 -0.000 0.000 0.254 133 G HA3 -0.249 3.711 3.960 -0.000 0.000 0.254 133 G C -0.025 174.817 174.900 -0.095 0.000 0.988 133 G CA 0.088 45.158 45.100 -0.050 0.000 0.625 133 G HN 0.773 nan 8.290 nan 0.000 0.527 134 N N 0.373 118.967 118.700 -0.177 0.000 2.357 134 N HA 0.225 4.965 4.740 -0.000 0.000 0.257 134 N C 1.572 176.898 175.510 -0.306 0.000 1.250 134 N CA 0.179 52.982 53.050 -0.412 0.000 0.862 134 N CB 1.273 39.331 38.487 -0.716 0.000 1.066 134 N HN 0.082 nan 8.380 nan 0.000 0.468 135 V N 1.849 121.618 119.914 -0.243 0.000 2.548 135 V HA -0.187 3.933 4.120 -0.000 0.000 0.249 135 V C 1.369 177.407 176.094 -0.093 0.000 1.055 135 V CA 1.450 63.676 62.300 -0.122 0.000 1.065 135 V CB -0.946 30.854 31.823 -0.037 0.000 0.681 135 V HN 0.779 nan 8.190 nan 0.000 0.462 136 H N 0.008 119.086 119.070 0.014 0.000 2.572 136 H HA 0.341 4.897 4.556 -0.000 0.000 0.278 136 H C 1.454 176.815 175.328 0.056 0.000 1.050 136 H CA 0.702 56.776 56.048 0.044 0.000 1.168 136 H CB -0.490 29.301 29.762 0.048 0.000 1.316 136 H HN 0.296 nan 8.280 nan 0.000 0.610 137 G N -0.383 108.405 108.800 -0.020 0.000 3.274 137 G HA2 0.158 4.118 3.960 -0.000 0.000 0.250 137 G HA3 0.158 4.118 3.960 -0.000 0.000 0.250 137 G C 0.799 175.692 174.900 -0.010 0.000 1.024 137 G CA -0.236 44.877 45.100 0.021 0.000 0.840 137 G HN 0.407 nan 8.290 nan 0.000 0.522 138 M N -0.069 119.504 119.600 -0.045 0.000 2.292 138 M HA 0.198 4.678 4.480 -0.000 0.000 0.286 138 M C -1.438 174.784 176.300 -0.131 0.000 1.002 138 M CA -0.682 54.556 55.300 -0.102 0.000 1.029 138 M CB 0.598 33.140 32.600 -0.096 0.000 1.537 138 M HN -0.110 nan 8.290 nan 0.000 0.543 139 P HA -0.212 nan 4.420 nan 0.000 0.217 139 P C 1.617 178.788 177.300 -0.214 0.000 1.162 139 P CA 1.280 64.334 63.100 -0.077 0.000 0.901 139 P CB 0.044 31.796 31.700 0.088 0.000 0.793 140 L N -1.299 119.639 121.223 -0.475 0.000 2.291 140 L HA 0.014 4.354 4.340 -0.000 0.000 0.214 140 L C 2.088 178.763 176.870 -0.325 0.000 1.120 140 L CA 1.542 56.018 54.840 -0.608 0.000 0.799 140 L CB -1.323 40.059 42.059 -1.128 0.000 0.925 140 L HN -0.140 nan 8.230 nan 0.000 0.446 141 A N -1.552 120.946 122.820 -0.538 0.000 1.929 141 A HA -0.064 4.256 4.320 -0.000 0.000 0.216 141 A C 2.220 179.539 177.584 -0.443 0.000 1.176 141 A CA 1.533 52.982 52.037 -0.980 0.000 0.628 141 A CB -0.759 17.617 19.000 -1.040 0.000 0.816 141 A HN 0.234 nan 8.150 nan 0.000 0.444 142 V N 0.356 120.114 119.914 -0.260 0.000 2.307 142 V HA -0.214 3.906 4.120 -0.000 0.000 0.245 142 V C 2.395 178.457 176.094 -0.054 0.000 1.045 142 V CA 1.843 64.077 62.300 -0.110 0.000 1.024 142 V CB -0.708 31.091 31.823 -0.040 0.000 0.651 142 V HN 0.587 nan 8.190 nan 0.000 0.449 143 L N -0.256 120.931 121.223 -0.061 0.000 2.549 143 L HA -0.069 4.271 4.340 -0.000 0.000 0.230 143 L C 1.865 178.730 176.870 -0.009 0.000 1.162 143 L CA 0.895 55.730 54.840 -0.009 0.000 0.834 143 L CB -0.440 41.614 42.059 -0.009 0.000 0.947 143 L HN 0.231 nan 8.230 nan 0.000 0.452 144 S N -0.571 115.102 115.700 -0.044 0.000 2.554 144 S HA 0.269 4.739 4.470 -0.000 0.000 0.226 144 S C 1.364 175.947 174.600 -0.028 0.000 0.980 144 S CA 0.495 58.694 58.200 -0.003 0.000 0.939 144 S CB 0.752 63.997 63.200 0.075 0.000 0.832 144 S HN 0.601 nan 8.310 nan 0.000 0.486 145 G N 1.616 110.389 108.800 -0.045 0.000 2.143 145 G HA2 -0.230 3.730 3.960 -0.000 0.000 0.248 145 G HA3 -0.230 3.730 3.960 -0.000 0.000 0.248 145 G C -0.178 174.679 174.900 -0.070 0.000 0.991 145 G CA -0.022 45.054 45.100 -0.040 0.000 0.689 145 G HN 0.469 nan 8.290 nan 0.000 0.522 146 L N 0.036 121.178 121.223 -0.135 0.000 2.343 146 L HA 0.751 5.091 4.340 -0.000 0.000 0.278 146 L C 0.747 177.511 176.870 -0.177 0.000 0.996 146 L CA 0.023 54.763 54.840 -0.167 0.000 0.831 146 L CB 1.651 43.556 42.059 -0.258 0.000 1.232 146 L HN 0.846 nan 8.230 nan 0.000 0.413 147 G N 0.761 109.497 108.800 -0.107 0.000 2.340 147 G HA2 -0.039 3.921 3.960 -0.000 0.000 0.282 147 G HA3 -0.039 3.921 3.960 -0.000 0.000 0.282 147 G C -1.340 173.556 174.900 -0.006 0.000 1.312 147 G CA -0.990 44.071 45.100 -0.065 0.000 0.942 147 G HN 0.651 nan 8.290 nan 0.000 0.495 148 H N 2.072 121.115 119.070 -0.045 0.000 3.092 148 H HA 0.247 4.803 4.556 -0.000 0.000 0.332 148 H C -0.588 174.732 175.328 -0.013 0.000 1.029 148 H CA 0.836 56.870 56.048 -0.023 0.000 1.376 148 H CB 1.368 31.126 29.762 -0.008 0.000 1.329 148 H HN 0.248 nan 8.280 nan 0.000 0.598 149 P HA -0.091 nan 4.420 nan 0.000 0.224 149 P C 1.211 178.523 177.300 0.020 0.000 1.157 149 P CA 0.809 63.843 63.100 -0.110 0.000 0.799 149 P CB 0.438 32.032 31.700 -0.178 0.000 0.809 150 R N -0.193 120.414 120.500 0.178 0.000 2.152 150 R HA 0.029 4.369 4.340 -0.000 0.000 0.232 150 R C 2.328 178.713 176.300 0.142 0.000 1.117 150 R CA 0.822 57.032 56.100 0.183 0.000 0.981 150 R CB -0.884 29.581 30.300 0.275 0.000 0.870 150 R HN 0.350 nan 8.270 nan 0.000 0.451 151 L N -0.510 120.853 121.223 0.234 0.000 2.145 151 L HA -0.047 4.293 4.340 -0.000 0.000 0.201 151 L C 2.499 179.503 176.870 0.223 0.000 1.075 151 L CA 1.344 56.355 54.840 0.286 0.000 0.773 151 L CB -0.722 41.511 42.059 0.290 0.000 0.936 151 L HN 0.188 nan 8.230 nan 0.000 0.451 152 T N -1.707 112.921 114.554 0.124 0.000 2.788 152 T HA -0.223 4.127 4.350 -0.000 0.000 0.268 152 T C 1.594 176.297 174.700 0.005 0.000 1.044 152 T CA 1.335 63.474 62.100 0.065 0.000 1.139 152 T CB -0.556 68.321 68.868 0.015 0.000 0.867 152 T HN 0.552 nan 8.240 nan 0.000 0.454 153 E N 1.965 122.146 120.200 -0.033 0.000 2.130 153 E HA -0.174 4.176 4.350 -0.000 0.000 0.196 153 E C 2.162 178.681 176.600 -0.134 0.000 0.998 153 E CA 1.876 58.233 56.400 -0.073 0.000 0.806 153 E CB -0.688 28.968 29.700 -0.074 0.000 0.738 153 E HN 0.649 nan 8.360 nan 0.000 0.459 154 V N -3.553 116.202 119.914 -0.266 0.000 3.661 154 V HA 0.217 4.337 4.120 -0.000 0.000 0.271 154 V C 1.076 176.875 176.094 -0.492 0.000 1.315 154 V CA -0.034 61.991 62.300 -0.459 0.000 1.072 154 V CB -0.389 30.987 31.823 -0.746 0.000 0.830 154 V HN 0.123 nan 8.190 nan 0.000 0.443 155 F N 0.688 120.636 119.950 -0.003 0.000 2.746 155 F HA 0.458 4.984 4.527 -0.000 0.000 0.313 155 F C 1.289 177.078 175.800 -0.017 0.000 1.095 155 F CA -1.169 56.827 58.000 -0.008 0.000 1.224 155 F CB 0.046 39.045 39.000 -0.002 0.000 1.060 155 F HN 0.009 nan 8.300 nan 0.000 0.584 156 R N 1.792 122.369 120.500 0.128 0.000 2.480 156 R HA 0.299 4.639 4.340 -0.000 0.000 0.303 156 R C 0.309 176.641 176.300 0.054 0.000 0.985 156 R CA 0.868 57.007 56.100 0.065 0.000 1.051 156 R CB 0.384 30.699 30.300 0.025 0.000 0.935 156 R HN 0.197 nan 8.270 nan 0.000 0.410 157 A N 4.389 127.236 122.820 0.045 0.000 2.671 157 A HA 0.242 4.562 4.320 -0.000 0.000 0.265 157 A C -0.738 176.859 177.584 0.023 0.000 1.148 157 A CA -0.185 51.871 52.037 0.032 0.000 0.977 157 A CB 0.910 19.930 19.000 0.033 0.000 1.242 157 A HN 0.483 nan 8.150 nan 0.000 0.591 158 V N -0.155 119.775 119.914 0.027 0.000 3.087 158 V HA 0.425 4.545 4.120 -0.000 0.000 0.306 158 V C -1.962 174.153 176.094 0.035 0.000 1.187 158 V CA -0.737 61.583 62.300 0.034 0.000 0.999 158 V CB 2.076 33.928 31.823 0.049 0.000 1.049 158 V HN 0.332 nan 8.190 nan 0.000 0.431 159 D N 4.737 125.157 120.400 0.034 0.000 2.210 159 D HA 0.425 5.065 4.640 -0.000 0.000 0.249 159 D C -1.998 174.332 176.300 0.049 0.000 1.062 159 D CA -1.732 52.288 54.000 0.034 0.000 0.891 159 D CB 2.724 43.536 40.800 0.020 0.000 1.186 159 D HN 0.303 nan 8.370 nan 0.000 0.432 160 P HA -0.047 nan 4.420 nan 0.000 0.220 160 P C 0.668 178.007 177.300 0.064 0.000 1.148 160 P CA 1.123 64.262 63.100 0.066 0.000 0.803 160 P CB 0.302 32.048 31.700 0.077 0.000 0.782 161 K N -0.730 119.698 120.400 0.048 0.000 2.574 161 K HA -0.058 4.262 4.320 -0.000 0.000 0.193 161 K C 0.425 177.025 176.600 -0.001 0.000 1.035 161 K CA 0.792 57.102 56.287 0.039 0.000 0.982 161 K CB -0.193 32.305 32.500 -0.004 0.000 0.795 161 K HN 0.142 nan 8.250 nan 0.000 0.491 162 D N 0.084 120.505 120.400 0.036 0.000 2.538 162 D HA 0.079 4.719 4.640 -0.000 0.000 0.231 162 D C -0.733 175.634 176.300 0.113 0.000 1.229 162 D CA 0.120 54.142 54.000 0.035 0.000 0.828 162 D CB 0.888 41.703 40.800 0.024 0.000 1.035 162 D HN -0.168 nan 8.370 nan 0.000 0.495 163 V N 0.688 120.690 119.914 0.147 0.000 2.769 163 V HA 0.520 4.640 4.120 -0.000 0.000 0.312 163 V C -0.120 176.065 176.094 0.151 0.000 1.061 163 V CA -0.783 61.602 62.300 0.140 0.000 0.931 163 V CB 2.954 34.819 31.823 0.069 0.000 1.010 163 V HN -0.236 nan 8.190 nan 0.000 0.433 164 V N 5.264 125.276 119.914 0.164 0.000 2.567 164 V HA 0.437 4.557 4.120 -0.000 0.000 0.298 164 V C -0.590 175.611 176.094 0.180 0.000 1.047 164 V CA -0.378 62.005 62.300 0.139 0.000 0.880 164 V CB 1.786 33.731 31.823 0.204 0.000 1.009 164 V HN 0.645 nan 8.190 nan 0.000 0.429 165 L N 5.290 126.581 121.223 0.113 0.000 2.292 165 L HA 0.696 5.036 4.340 -0.000 0.000 0.284 165 L C -0.591 176.408 176.870 0.215 0.000 1.065 165 L CA -0.473 54.469 54.840 0.171 0.000 0.806 165 L CB 1.746 43.833 42.059 0.046 0.000 1.175 165 L HN 0.386 nan 8.230 nan 0.000 0.431 166 V N 1.882 121.931 119.914 0.226 0.000 2.638 166 V HA 0.610 4.730 4.120 -0.000 0.000 0.306 166 V C 0.576 176.753 176.094 0.138 0.000 1.052 166 V CA -0.027 62.386 62.300 0.188 0.000 0.885 166 V CB 1.471 33.368 31.823 0.123 0.000 0.999 166 V HN 0.937 nan 8.190 nan 0.000 0.424 167 G N 3.684 112.554 108.800 0.115 0.000 2.132 167 G HA2 -0.179 3.781 3.960 -0.000 0.000 0.234 167 G HA3 -0.179 3.781 3.960 -0.000 0.000 0.234 167 G C 0.037 174.980 174.900 0.072 0.000 0.989 167 G CA 0.028 45.175 45.100 0.077 0.000 0.676 167 G HN 0.772 nan 8.290 nan 0.000 0.522 168 V N 1.196 121.161 119.914 0.085 0.000 2.529 168 V HA 0.434 4.553 4.120 -0.000 0.000 0.292 168 V C 1.464 177.572 176.094 0.022 0.000 1.028 168 V CA 1.214 63.548 62.300 0.057 0.000 1.074 168 V CB 1.085 32.941 31.823 0.055 0.000 0.958 168 V HN 0.662 nan 8.190 nan 0.000 0.481 169 R N 2.440 122.926 120.500 -0.024 0.000 2.544 169 R HA 0.390 4.730 4.340 -0.000 0.000 0.426 169 R C -0.117 176.149 176.300 -0.056 0.000 0.943 169 R CA 0.015 56.098 56.100 -0.029 0.000 1.162 169 R CB 0.770 31.053 30.300 -0.028 0.000 1.588 169 R HN 0.553 nan 8.270 nan 0.000 0.563 170 S N 0.976 116.635 115.700 -0.067 0.000 2.584 170 S HA 0.457 4.927 4.470 -0.000 0.000 0.282 170 S C -1.509 173.109 174.600 0.029 0.000 1.138 170 S CA -0.696 57.480 58.200 -0.041 0.000 0.987 170 S CB 0.925 64.065 63.200 -0.100 0.000 1.137 170 S HN 0.257 nan 8.310 nan 0.000 0.457 171 L N 3.476 124.725 121.223 0.045 0.000 2.401 171 L HA 0.616 4.956 4.340 -0.000 0.000 0.266 171 L C -0.609 176.298 176.870 0.061 0.000 0.991 171 L CA -1.032 53.846 54.840 0.064 0.000 0.818 171 L CB 2.006 44.083 42.059 0.031 0.000 1.321 171 L HN 0.576 nan 8.230 nan 0.000 0.413 172 D N 3.170 123.615 120.400 0.074 0.000 2.344 172 D HA 0.149 4.789 4.640 -0.000 0.000 0.244 172 D C -1.498 174.827 176.300 0.042 0.000 1.134 172 D CA -1.316 52.718 54.000 0.057 0.000 0.930 172 D CB 1.385 42.221 40.800 0.060 0.000 1.175 172 D HN 0.303 nan 8.370 nan 0.000 0.437 173 P HA -0.135 nan 4.420 nan 0.000 0.216 173 P C 1.325 178.640 177.300 0.026 0.000 1.150 173 P CA 1.148 64.262 63.100 0.022 0.000 0.837 173 P CB 0.199 31.909 31.700 0.017 0.000 0.786 174 G N 0.377 109.195 108.800 0.031 0.000 2.422 174 G HA2 -0.217 3.742 3.960 -0.000 0.000 0.218 174 G HA3 -0.217 3.742 3.960 -0.000 0.000 0.218 174 G C 1.579 176.513 174.900 0.057 0.000 1.146 174 G CA 0.493 45.614 45.100 0.034 0.000 0.769 174 G HN 0.293 nan 8.290 nan 0.000 0.547 175 E N 0.610 120.853 120.200 0.073 0.000 2.047 175 E HA -0.105 4.245 4.350 -0.000 0.000 0.191 175 E C 2.551 179.200 176.600 0.082 0.000 0.987 175 E CA 1.010 57.481 56.400 0.118 0.000 0.799 175 E CB -0.078 29.692 29.700 0.118 0.000 0.752 175 E HN 0.412 nan 8.360 nan 0.000 0.449 176 K N 0.743 121.164 120.400 0.035 0.000 2.113 176 K HA -0.184 4.136 4.320 -0.000 0.000 0.208 176 K C 2.236 178.839 176.600 0.005 0.000 1.047 176 K CA 0.868 57.155 56.287 -0.000 0.000 0.928 176 K CB -0.210 32.286 32.500 -0.006 0.000 0.716 176 K HN 0.036 nan 8.250 nan 0.000 0.446 177 R N 1.231 121.746 120.500 0.026 0.000 2.082 177 R HA -0.073 4.267 4.340 -0.000 0.000 0.228 177 R C 2.517 178.847 176.300 0.050 0.000 1.140 177 R CA 1.398 57.514 56.100 0.027 0.000 0.920 177 R CB -0.552 29.765 30.300 0.028 0.000 0.828 177 R HN 0.152 nan 8.270 nan 0.000 0.430 178 L N 0.896 122.180 121.223 0.100 0.000 2.021 178 L HA -0.281 4.059 4.340 -0.000 0.000 0.215 178 L C 2.561 179.559 176.870 0.214 0.000 1.074 178 L CA 1.506 56.459 54.840 0.188 0.000 0.760 178 L CB -0.589 41.634 42.059 0.272 0.000 0.889 178 L HN 0.274 nan 8.230 nan 0.000 0.433 179 L N -0.603 120.665 121.223 0.075 0.000 2.083 179 L HA -0.234 4.106 4.340 -0.000 0.000 0.209 179 L C 2.623 179.425 176.870 -0.114 0.000 1.083 179 L CA 1.414 56.124 54.840 -0.217 0.000 0.752 179 L CB -0.450 41.398 42.059 -0.351 0.000 0.899 179 L HN 0.173 nan 8.230 nan 0.000 0.433 180 K N -0.134 120.235 120.400 -0.052 0.000 2.025 180 K HA -0.170 4.150 4.320 -0.000 0.000 0.207 180 K C 2.085 178.674 176.600 -0.018 0.000 1.049 180 K CA 1.492 57.754 56.287 -0.042 0.000 0.933 180 K CB 0.009 32.492 32.500 -0.028 0.000 0.714 180 K HN 0.317 nan 8.250 nan 0.000 0.438 181 E N 0.129 120.335 120.200 0.008 0.000 2.047 181 E HA -0.140 4.210 4.350 -0.000 0.000 0.191 181 E C 1.890 178.503 176.600 0.021 0.000 0.987 181 E CA 1.061 57.470 56.400 0.016 0.000 0.799 181 E CB -0.088 29.628 29.700 0.026 0.000 0.752 181 E HN 0.304 nan 8.360 nan 0.000 0.449 182 A N 0.522 123.370 122.820 0.046 0.000 2.125 182 A HA 0.012 4.332 4.320 -0.000 0.000 0.219 182 A C 1.841 179.436 177.584 0.018 0.000 1.156 182 A CA 1.153 53.227 52.037 0.062 0.000 0.671 182 A CB -0.839 18.257 19.000 0.161 0.000 0.794 182 A HN 0.384 nan 8.150 nan 0.000 0.459 183 G N -1.386 107.402 108.800 -0.019 0.000 2.198 183 G HA2 -0.162 3.798 3.960 -0.000 0.000 0.257 183 G HA3 -0.162 3.798 3.960 -0.000 0.000 0.257 183 G C 0.055 174.921 174.900 -0.057 0.000 1.042 183 G CA 0.132 45.213 45.100 -0.033 0.000 0.791 183 G HN 0.863 nan 8.290 nan 0.000 0.502 184 V N 0.160 119.994 119.914 -0.133 0.000 2.614 184 V HA 0.426 4.546 4.120 -0.000 0.000 0.291 184 V C 1.138 177.107 176.094 -0.209 0.000 1.049 184 V CA -0.386 61.807 62.300 -0.178 0.000 1.038 184 V CB 1.394 32.998 31.823 -0.364 0.000 0.980 184 V HN 0.547 nan 8.190 nan 0.000 0.481 185 R N 4.446 124.817 120.500 -0.214 0.000 2.288 185 R HA 0.381 4.721 4.340 -0.000 0.000 0.330 185 R C -1.105 174.957 176.300 -0.397 0.000 1.069 185 R CA 0.152 56.021 56.100 -0.386 0.000 0.941 185 R CB 0.232 30.148 30.300 -0.641 0.000 0.998 185 R HN 0.501 nan 8.270 nan 0.000 0.452 186 V N 6.671 126.324 119.914 -0.436 0.000 2.417 186 V HA 0.344 4.464 4.120 -0.000 0.000 0.291 186 V C -0.974 174.871 176.094 -0.416 0.000 1.024 186 V CA -0.686 61.418 62.300 -0.328 0.000 0.861 186 V CB 1.377 33.070 31.823 -0.216 0.000 0.985 186 V HN 0.622 nan 8.190 nan 0.000 0.436 187 Y N 2.963 123.244 120.300 -0.031 0.000 2.575 187 Y HA 0.432 4.982 4.550 -0.000 0.000 0.326 187 Y C 1.067 176.973 175.900 0.009 0.000 0.979 187 Y CA -0.711 57.382 58.100 -0.012 0.000 1.286 187 Y CB 1.404 39.856 38.460 -0.013 0.000 1.093 187 Y HN 0.789 nan 8.280 nan 0.000 0.501 188 T N -1.255 113.380 114.554 0.135 0.000 2.788 188 T HA 0.107 4.457 4.350 -0.000 0.000 0.280 188 T C 1.535 176.309 174.700 0.122 0.000 0.984 188 T CA -0.792 61.371 62.100 0.105 0.000 0.972 188 T CB 0.739 69.654 68.868 0.078 0.000 1.039 188 T HN 0.440 nan 8.240 nan 0.000 0.530 189 M N 0.216 119.872 119.600 0.093 0.000 2.195 189 M HA -0.128 4.352 4.480 -0.000 0.000 0.260 189 M C 2.133 178.491 176.300 0.097 0.000 1.066 189 M CA 1.669 57.016 55.300 0.078 0.000 1.089 189 M CB -1.928 30.706 32.600 0.057 0.000 1.377 189 M HN 0.860 nan 8.290 nan 0.000 0.411 190 H N 0.346 119.432 119.070 0.028 0.000 2.319 190 H HA -0.199 4.357 4.556 -0.000 0.000 0.297 190 H C 1.582 176.933 175.328 0.039 0.000 1.097 190 H CA 2.207 58.270 56.048 0.026 0.000 1.285 190 H CB 0.306 30.078 29.762 0.018 0.000 1.368 190 H HN 0.303 nan 8.280 nan 0.000 0.495 191 E N -0.090 120.156 120.200 0.076 0.000 2.150 191 E HA -0.086 4.264 4.350 -0.000 0.000 0.193 191 E C 2.522 179.122 176.600 -0.000 0.000 0.985 191 E CA 0.790 57.218 56.400 0.047 0.000 0.814 191 E CB -0.060 29.785 29.700 0.241 0.000 0.752 191 E HN 0.237 nan 8.360 nan 0.000 0.466 192 V N 1.439 121.363 119.914 0.016 0.000 2.295 192 V HA -0.243 3.877 4.120 -0.000 0.000 0.246 192 V C 1.512 177.581 176.094 -0.041 0.000 1.049 192 V CA 1.969 64.257 62.300 -0.019 0.000 1.024 192 V CB -0.400 31.423 31.823 0.001 0.000 0.648 192 V HN 0.242 nan 8.190 nan 0.000 0.447 193 D N -0.568 119.803 120.400 -0.048 0.000 2.178 193 D HA -0.141 4.499 4.640 -0.000 0.000 0.201 193 D C 2.324 178.569 176.300 -0.093 0.000 0.980 193 D CA 1.101 55.066 54.000 -0.059 0.000 0.842 193 D CB -0.149 40.620 40.800 -0.051 0.000 0.948 193 D HN 0.308 nan 8.370 nan 0.000 0.472 194 R N -0.149 120.261 120.500 -0.150 0.000 2.140 194 R HA 0.111 4.451 4.340 -0.000 0.000 0.213 194 R C 1.980 178.229 176.300 -0.084 0.000 1.059 194 R CA 0.378 56.388 56.100 -0.150 0.000 1.000 194 R CB 0.230 30.376 30.300 -0.258 0.000 0.910 194 R HN 0.167 nan 8.270 nan 0.000 0.455 195 L N -1.260 119.923 121.223 -0.068 0.000 2.537 195 L HA 0.351 4.691 4.340 -0.000 0.000 0.224 195 L C 0.525 177.361 176.870 -0.057 0.000 1.065 195 L CA 0.263 55.072 54.840 -0.052 0.000 0.860 195 L CB 0.621 42.654 42.059 -0.043 0.000 1.086 195 L HN 0.280 nan 8.230 nan 0.000 0.482 196 G N 0.094 108.858 108.800 -0.060 0.000 3.019 196 G HA2 -0.171 3.789 3.960 -0.000 0.000 0.686 196 G HA3 -0.171 3.789 3.960 -0.000 0.000 0.686 196 G C 0.343 175.197 174.900 -0.076 0.000 1.056 196 G CA -0.380 44.687 45.100 -0.055 0.000 0.774 196 G HN -0.187 nan 8.290 nan 0.000 0.583 197 V N 2.629 122.501 119.914 -0.069 0.000 2.277 197 V HA -0.279 3.841 4.120 -0.000 0.000 0.253 197 V C 3.481 179.521 176.094 -0.090 0.000 1.067 197 V CA 3.748 65.998 62.300 -0.085 0.000 1.047 197 V CB -1.458 30.330 31.823 -0.059 0.000 0.649 197 V HN 2.003 nan 8.190 nan 0.000 0.447 198 A N 0.128 122.910 122.820 -0.063 0.000 1.863 198 A HA -0.396 3.924 4.320 -0.000 0.000 0.218 198 A C 2.308 179.850 177.584 -0.070 0.000 1.233 198 A CA 3.009 55.013 52.037 -0.055 0.000 0.655 198 A CB -0.799 18.178 19.000 -0.038 0.000 0.839 198 A HN 0.534 nan 8.150 nan 0.000 0.454 199 R N -0.203 120.254 120.500 -0.073 0.000 2.094 199 R HA -0.145 4.195 4.340 -0.000 0.000 0.239 199 R C 2.018 178.240 176.300 -0.131 0.000 1.137 199 R CA 2.138 58.191 56.100 -0.077 0.000 0.943 199 R CB -0.629 29.633 30.300 -0.064 0.000 0.850 199 R HN 0.612 nan 8.270 nan 0.000 0.433 200 I N 0.502 120.943 120.570 -0.214 0.000 2.151 200 I HA -0.319 3.851 4.170 -0.000 0.000 0.243 200 I C 2.535 178.472 176.117 -0.300 0.000 1.080 200 I CA 1.479 62.524 61.300 -0.424 0.000 1.339 200 I CB -0.611 37.074 38.000 -0.525 0.000 1.039 200 I HN 0.385 nan 8.210 nan 0.000 0.409 201 A N 0.648 123.362 122.820 -0.177 0.000 1.883 201 A HA -0.230 4.090 4.320 -0.000 0.000 0.217 201 A C 2.242 179.789 177.584 -0.061 0.000 1.186 201 A CA 1.771 53.747 52.037 -0.100 0.000 0.624 201 A CB -0.559 18.401 19.000 -0.067 0.000 0.822 201 A HN 0.441 nan 8.150 nan 0.000 0.444 202 E N 0.203 120.369 120.200 -0.057 0.000 2.049 202 E HA -0.238 4.112 4.350 -0.000 0.000 0.198 202 E C 1.917 178.514 176.600 -0.005 0.000 1.007 202 E CA 1.613 57.999 56.400 -0.024 0.000 0.809 202 E CB -0.536 29.151 29.700 -0.023 0.000 0.749 202 E HN 0.790 nan 8.360 nan 0.000 0.450 203 E N 0.697 120.880 120.200 -0.028 0.000 2.077 203 E HA -0.129 4.221 4.350 -0.000 0.000 0.193 203 E C 2.317 178.970 176.600 0.089 0.000 0.989 203 E CA 1.136 57.554 56.400 0.029 0.000 0.800 203 E CB -0.137 29.572 29.700 0.014 0.000 0.746 203 E HN 0.052 nan 8.360 nan 0.000 0.452 204 V N 1.678 121.614 119.914 0.037 0.000 2.568 204 V HA -0.231 3.889 4.120 -0.000 0.000 0.253 204 V C 2.189 178.363 176.094 0.134 0.000 1.072 204 V CA 1.350 63.722 62.300 0.119 0.000 1.084 204 V CB -0.432 31.430 31.823 0.065 0.000 0.676 204 V HN 0.257 nan 8.190 nan 0.000 0.469 205 L N -0.607 120.666 121.223 0.085 0.000 2.209 205 L HA -0.047 4.293 4.340 -0.000 0.000 0.207 205 L C 2.461 179.380 176.870 0.082 0.000 1.094 205 L CA 1.162 56.047 54.840 0.074 0.000 0.790 205 L CB -0.380 41.705 42.059 0.044 0.000 0.932 205 L HN 0.255 nan 8.230 nan 0.000 0.447 206 K N -0.232 120.223 120.400 0.093 0.000 2.103 206 K HA -0.215 4.105 4.320 -0.000 0.000 0.204 206 K C 2.183 178.852 176.600 0.115 0.000 1.052 206 K CA 1.188 57.528 56.287 0.087 0.000 0.945 206 K CB -0.083 32.467 32.500 0.083 0.000 0.722 206 K HN 0.180 nan 8.250 nan 0.000 0.443 207 H N -0.294 118.812 119.070 0.060 0.000 2.423 207 H HA 0.066 4.622 4.556 -0.000 0.000 0.297 207 H C 0.755 176.116 175.328 0.054 0.000 1.075 207 H CA 1.586 57.671 56.048 0.062 0.000 1.342 207 H CB 0.225 30.041 29.762 0.091 0.000 1.395 207 H HN 0.148 nan 8.280 nan 0.000 0.530 208 L N 1.848 123.129 121.223 0.096 0.000 2.872 208 L HA 0.130 4.470 4.340 -0.000 0.000 0.245 208 L C 0.203 177.089 176.870 0.027 0.000 1.211 208 L CA -0.324 54.540 54.840 0.039 0.000 1.013 208 L CB -0.042 42.083 42.059 0.111 0.000 1.326 208 L HN 0.389 nan 8.230 nan 0.000 0.525 209 Q N 0.317 120.128 119.800 0.018 0.000 2.315 209 Q HA 0.207 4.546 4.340 -0.000 0.000 0.289 209 Q C 0.999 177.003 176.000 0.008 0.000 1.044 209 Q CA 0.979 56.794 55.803 0.018 0.000 0.920 209 Q CB 0.695 29.443 28.738 0.017 0.000 1.214 209 Q HN 0.325 nan 8.270 nan 0.000 0.392 210 G N 2.560 111.369 108.800 0.016 0.000 2.317 210 G HA2 -0.259 3.700 3.960 -0.000 0.000 0.227 210 G HA3 -0.259 3.700 3.960 -0.000 0.000 0.227 210 G C 0.029 174.939 174.900 0.017 0.000 1.042 210 G CA 0.101 45.209 45.100 0.013 0.000 0.623 210 G HN 0.595 nan 8.290 nan 0.000 0.509 211 L N 2.386 123.621 121.223 0.020 0.000 2.375 211 L HA 0.593 4.933 4.340 -0.000 0.000 0.268 211 L C -1.756 175.135 176.870 0.035 0.000 1.058 211 L CA -2.407 52.448 54.840 0.025 0.000 0.803 211 L CB 0.899 42.973 42.059 0.026 0.000 1.212 211 L HN -0.015 nan 8.230 nan 0.000 0.451 212 P HA 0.225 nan 4.420 nan 0.000 0.275 212 P C -1.184 176.145 177.300 0.049 0.000 1.228 212 P CA -0.135 62.986 63.100 0.036 0.000 0.786 212 P CB 1.020 32.734 31.700 0.023 0.000 0.927 213 L N 2.681 123.935 121.223 0.052 0.000 2.322 213 L HA 0.384 4.724 4.340 -0.000 0.000 0.281 213 L C 0.745 177.657 176.870 0.070 0.000 1.014 213 L CA -0.731 54.153 54.840 0.074 0.000 0.815 213 L CB 1.294 43.396 42.059 0.071 0.000 1.247 213 L HN 0.512 nan 8.230 nan 0.000 0.421 214 H N 3.746 122.829 119.070 0.021 0.000 2.541 214 H HA 0.401 4.957 4.556 -0.000 0.000 0.316 214 H C -1.436 173.916 175.328 0.040 0.000 1.043 214 H CA -0.511 55.539 56.048 0.003 0.000 1.232 214 H CB 1.698 31.471 29.762 0.020 0.000 1.406 214 H HN 0.280 nan 8.280 nan 0.000 0.469 215 V N 4.721 124.381 119.914 -0.424 0.000 2.407 215 V HA 0.124 4.244 4.120 -0.000 0.000 0.278 215 V C 0.410 176.261 176.094 -0.406 0.000 1.037 215 V CA -0.366 61.779 62.300 -0.258 0.000 0.900 215 V CB 1.403 33.146 31.823 -0.134 0.000 0.983 215 V HN 0.754 nan 8.190 nan 0.000 0.459 216 S N 4.932 120.496 115.700 -0.226 0.000 2.449 216 S HA 0.690 5.160 4.470 -0.000 0.000 0.310 216 S C -0.946 173.462 174.600 -0.320 0.000 1.096 216 S CA -0.517 57.502 58.200 -0.301 0.000 1.095 216 S CB 0.965 63.832 63.200 -0.554 0.000 1.007 216 S HN 0.557 nan 8.310 nan 0.000 0.474 217 L N 5.457 126.510 121.223 -0.282 0.000 2.401 217 L HA 0.513 4.852 4.340 -0.000 0.000 0.263 217 L C -0.608 176.079 176.870 -0.305 0.000 1.004 217 L CA -0.304 54.388 54.840 -0.247 0.000 0.881 217 L CB 1.222 43.175 42.059 -0.177 0.000 1.219 217 L HN 0.602 nan 8.230 nan 0.000 0.441 218 D N 2.848 123.038 120.400 -0.350 0.000 2.350 218 D HA 0.246 4.886 4.640 -0.000 0.000 0.249 218 D C 0.765 176.960 176.300 -0.175 0.000 1.119 218 D CA 0.491 54.260 54.000 -0.384 0.000 0.886 218 D CB 2.239 42.899 40.800 -0.232 0.000 1.195 218 D HN 0.675 nan 8.370 nan 0.000 0.437 219 A N 3.253 125.985 122.820 -0.145 0.000 2.123 219 A HA -0.122 4.198 4.320 -0.000 0.000 0.214 219 A C 1.412 178.977 177.584 -0.031 0.000 1.152 219 A CA 0.882 52.871 52.037 -0.080 0.000 0.728 219 A CB -0.168 18.789 19.000 -0.072 0.000 0.814 219 A HN 0.657 nan 8.150 nan 0.000 0.464 220 D N -0.518 119.881 120.400 -0.002 0.000 2.351 220 D HA -0.097 4.543 4.640 -0.000 0.000 0.216 220 D C 1.219 177.543 176.300 0.041 0.000 0.968 220 D CA 0.946 54.979 54.000 0.055 0.000 0.899 220 D CB -0.584 40.314 40.800 0.164 0.000 0.907 220 D HN 0.147 nan 8.370 nan 0.000 0.514 221 V N -0.375 119.551 119.914 0.021 0.000 2.970 221 V HA 0.056 4.176 4.120 -0.000 0.000 0.260 221 V C 0.978 177.074 176.094 0.003 0.000 1.100 221 V CA 0.549 62.858 62.300 0.015 0.000 1.122 221 V CB -0.304 31.525 31.823 0.010 0.000 0.721 221 V HN 0.161 nan 8.190 nan 0.000 0.483 222 L N 0.070 121.293 121.223 -0.000 0.000 2.439 222 L HA 0.346 4.686 4.340 -0.000 0.000 0.259 222 L C 0.178 177.058 176.870 0.016 0.000 1.129 222 L CA -0.305 54.539 54.840 0.008 0.000 0.803 222 L CB 0.494 42.560 42.059 0.011 0.000 1.161 222 L HN 0.050 nan 8.230 nan 0.000 0.462 223 D N 0.614 121.028 120.400 0.023 0.000 2.414 223 D HA 0.070 4.710 4.640 -0.000 0.000 0.242 223 D C -1.791 174.521 176.300 0.020 0.000 1.129 223 D CA -1.032 52.981 54.000 0.021 0.000 0.885 223 D CB 1.225 42.039 40.800 0.024 0.000 1.198 223 D HN 0.184 nan 8.370 nan 0.000 0.437 224 P HA -0.127 nan 4.420 nan 0.000 0.221 224 P C 1.160 178.468 177.300 0.012 0.000 1.145 224 P CA 0.892 64.002 63.100 0.015 0.000 0.795 224 P CB 0.150 31.860 31.700 0.017 0.000 0.775 225 T N -1.315 113.246 114.554 0.012 0.000 2.821 225 T HA -0.120 4.230 4.350 -0.000 0.000 0.267 225 T C 1.414 176.118 174.700 0.006 0.000 1.046 225 T CA 0.962 63.067 62.100 0.008 0.000 1.139 225 T CB -0.488 68.385 68.868 0.008 0.000 0.871 225 T HN -0.033 nan 8.240 nan 0.000 0.454 226 L N -0.149 121.083 121.223 0.015 0.000 2.556 226 L HA 0.623 4.963 4.340 -0.000 0.000 0.226 226 L C 0.755 177.639 176.870 0.023 0.000 1.089 226 L CA 0.565 55.417 54.840 0.019 0.000 0.864 226 L CB 0.263 42.348 42.059 0.043 0.000 1.067 226 L HN 0.157 nan 8.230 nan 0.000 0.477 227 A N -0.005 122.826 122.820 0.018 0.000 3.370 227 A HA 0.509 4.829 4.320 -0.000 0.000 0.295 227 A C -2.005 175.584 177.584 0.008 0.000 1.030 227 A CA -0.542 51.503 52.037 0.014 0.000 0.883 227 A CB -0.169 18.839 19.000 0.013 0.000 1.191 227 A HN 0.164 nan 8.150 nan 0.000 0.507 228 P HA -0.102 nan 4.420 nan 0.000 0.218 228 P C 1.120 178.419 177.300 -0.000 0.000 1.149 228 P CA 1.465 64.567 63.100 0.004 0.000 0.817 228 P CB 0.028 31.729 31.700 0.001 0.000 0.785 229 G N 1.253 110.050 108.800 -0.005 0.000 3.003 229 G HA2 0.364 4.324 3.960 -0.000 0.000 0.266 229 G HA3 0.364 4.324 3.960 -0.000 0.000 0.266 229 G C 0.035 174.924 174.900 -0.018 0.000 0.755 229 G CA -0.057 45.036 45.100 -0.012 0.000 2.061 229 G HN 0.336 nan 8.290 nan 0.000 0.599 230 V N -1.553 118.353 119.914 -0.013 0.000 2.932 230 V HA 0.807 4.927 4.120 -0.000 0.000 0.307 230 V C 1.089 177.176 176.094 -0.011 0.000 1.147 230 V CA -0.088 62.201 62.300 -0.018 0.000 0.951 230 V CB 1.253 33.074 31.823 -0.004 0.000 1.031 230 V HN 0.375 nan 8.190 nan 0.000 0.426 231 G N 2.828 111.609 108.800 -0.032 0.000 2.553 231 G HA2 -0.077 3.883 3.960 -0.000 0.000 0.218 231 G HA3 -0.077 3.883 3.960 -0.000 0.000 0.218 231 G C 0.648 175.553 174.900 0.009 0.000 1.195 231 G CA 1.558 46.639 45.100 -0.031 0.000 0.779 231 G HN 1.147 nan 8.290 nan 0.000 0.577 232 T N 2.996 117.576 114.554 0.043 0.000 3.253 232 T HA 0.457 4.807 4.350 -0.000 0.000 0.391 232 T C -2.586 172.213 174.700 0.165 0.000 1.527 232 T CA -1.025 61.138 62.100 0.105 0.000 1.268 232 T CB 1.964 70.899 68.868 0.110 0.000 1.126 232 T HN 0.149 nan 8.240 nan 0.000 0.620 233 P HA 0.259 nan 4.420 nan 0.000 0.267 233 P C -0.786 176.556 177.300 0.070 0.000 1.200 233 P CA -0.226 62.919 63.100 0.075 0.000 0.772 233 P CB 0.892 32.618 31.700 0.044 0.000 0.855 234 V N 3.443 123.378 119.914 0.035 0.000 2.612 234 V HA 0.257 4.377 4.120 -0.000 0.000 0.301 234 V C -2.378 173.715 176.094 -0.002 0.000 1.059 234 V CA -2.002 60.299 62.300 0.002 0.000 0.886 234 V CB 1.744 33.524 31.823 -0.073 0.000 1.007 234 V HN 0.451 nan 8.190 nan 0.000 0.426 235 P HA 0.175 nan 4.420 nan 0.000 0.267 235 P C 0.775 178.079 177.300 0.006 0.000 1.195 235 P CA 1.320 64.424 63.100 0.007 0.000 0.773 235 P CB 0.441 32.147 31.700 0.010 0.000 0.837 236 G N 1.355 110.161 108.800 0.011 0.000 2.367 236 G HA2 -0.037 3.923 3.960 -0.000 0.000 0.295 236 G HA3 -0.037 3.923 3.960 -0.000 0.000 0.295 236 G C 0.552 175.460 174.900 0.013 0.000 1.019 236 G CA -0.115 44.993 45.100 0.014 0.000 1.224 236 G HN 0.830 nan 8.290 nan 0.000 0.510 237 G N -0.962 107.845 108.800 0.013 0.000 2.641 237 G HA2 0.727 4.687 3.960 -0.000 0.000 0.239 237 G HA3 0.727 4.687 3.960 -0.000 0.000 0.239 237 G C 0.463 175.373 174.900 0.016 0.000 1.402 237 G CA -1.154 43.953 45.100 0.012 0.000 1.046 237 G HN 0.685 nan 8.290 nan 0.000 0.565 238 L N 0.616 121.847 121.223 0.013 0.000 2.418 238 L HA 0.354 4.694 4.340 -0.000 0.000 0.265 238 L C 1.221 178.108 176.870 0.029 0.000 1.143 238 L CA -0.667 54.180 54.840 0.012 0.000 0.809 238 L CB 1.289 43.344 42.059 -0.006 0.000 1.124 238 L HN 0.669 nan 8.230 nan 0.000 0.456 239 T N -2.292 112.286 114.554 0.040 0.000 2.874 239 T HA 0.098 4.448 4.350 -0.000 0.000 0.281 239 T C 0.845 175.618 174.700 0.121 0.000 0.994 239 T CA -0.392 61.757 62.100 0.081 0.000 1.015 239 T CB 0.809 69.724 68.868 0.079 0.000 1.028 239 T HN 0.547 nan 8.240 nan 0.000 0.523 240 Y N 1.871 122.191 120.300 0.034 0.000 2.081 240 Y HA -0.181 4.369 4.550 -0.000 0.000 0.280 240 Y C 2.764 178.749 175.900 0.142 0.000 1.163 240 Y CA 1.654 59.802 58.100 0.080 0.000 1.135 240 Y CB -0.223 38.301 38.460 0.107 0.000 0.970 240 Y HN 0.643 nan 8.280 nan 0.000 0.498 241 R N 0.248 120.898 120.500 0.249 0.000 2.091 241 R HA -0.188 4.152 4.340 -0.000 0.000 0.238 241 R C 2.271 178.586 176.300 0.024 0.000 1.136 241 R CA 1.983 58.150 56.100 0.112 0.000 0.959 241 R CB -0.307 30.073 30.300 0.135 0.000 0.856 241 R HN 0.537 nan 8.270 nan 0.000 0.437 242 E N 0.056 120.268 120.200 0.020 0.000 2.077 242 E HA -0.188 4.162 4.350 -0.000 0.000 0.193 242 E C 2.052 178.613 176.600 -0.065 0.000 0.989 242 E CA 1.107 57.498 56.400 -0.016 0.000 0.800 242 E CB -0.098 29.597 29.700 -0.007 0.000 0.746 242 E HN 0.376 nan 8.360 nan 0.000 0.452 243 A N 1.554 124.308 122.820 -0.111 0.000 1.865 243 A HA -0.234 4.085 4.320 -0.000 0.000 0.217 243 A C 1.932 179.343 177.584 -0.288 0.000 1.191 243 A CA 1.579 53.489 52.037 -0.211 0.000 0.623 243 A CB -0.871 17.959 19.000 -0.284 0.000 0.826 243 A HN 0.291 nan 8.150 nan 0.000 0.444 244 H N -1.148 117.783 119.070 -0.233 0.000 2.387 244 H HA -0.132 4.423 4.556 -0.000 0.000 0.299 244 H C 2.104 177.351 175.328 -0.134 0.000 1.099 244 H CA 1.852 57.763 56.048 -0.229 0.000 1.315 244 H CB -0.416 29.132 29.762 -0.356 0.000 1.380 244 H HN 0.416 nan 8.280 nan 0.000 0.513 245 L N 0.826 122.043 121.223 -0.009 0.000 2.046 245 L HA -0.136 4.204 4.340 -0.000 0.000 0.208 245 L C 2.422 179.273 176.870 -0.032 0.000 1.077 245 L CA 1.119 55.950 54.840 -0.014 0.000 0.747 245 L CB -0.830 41.219 42.059 -0.016 0.000 0.896 245 L HN 0.105 nan 8.230 nan 0.000 0.432 246 L N -0.846 120.344 121.223 -0.055 0.000 1.989 246 L HA -0.239 4.101 4.340 -0.000 0.000 0.211 246 L C 2.347 179.188 176.870 -0.048 0.000 1.071 246 L CA 2.055 56.861 54.840 -0.057 0.000 0.749 246 L CB -0.615 41.403 42.059 -0.069 0.000 0.890 246 L HN 0.279 nan 8.230 nan 0.000 0.431 247 M N -0.777 118.785 119.600 -0.063 0.000 2.159 247 M HA -0.165 4.315 4.480 -0.000 0.000 0.263 247 M C 2.149 178.438 176.300 -0.019 0.000 1.063 247 M CA 1.474 56.745 55.300 -0.048 0.000 1.110 247 M CB -1.241 31.313 32.600 -0.077 0.000 1.374 247 M HN 0.389 nan 8.290 nan 0.000 0.411 248 E N -0.001 120.193 120.200 -0.010 0.000 2.072 248 E HA -0.134 4.216 4.350 -0.000 0.000 0.191 248 E C 2.044 178.642 176.600 -0.004 0.000 0.985 248 E CA 0.819 57.219 56.400 -0.000 0.000 0.801 248 E CB 0.029 29.732 29.700 0.004 0.000 0.750 248 E HN 0.293 nan 8.360 nan 0.000 0.452 249 I N 1.156 121.720 120.570 -0.011 0.000 2.252 249 I HA -0.201 3.969 4.170 -0.000 0.000 0.245 249 I C 2.345 178.461 176.117 -0.001 0.000 1.102 249 I CA 1.179 62.473 61.300 -0.010 0.000 1.385 249 I CB -0.917 37.071 38.000 -0.019 0.000 1.064 249 I HN 0.170 nan 8.210 nan 0.000 0.414 250 L N 0.445 121.668 121.223 0.000 0.000 2.083 250 L HA -0.197 4.143 4.340 -0.000 0.000 0.209 250 L C 2.762 179.647 176.870 0.026 0.000 1.083 250 L CA 1.364 56.213 54.840 0.015 0.000 0.752 250 L CB -0.728 41.339 42.059 0.014 0.000 0.899 250 L HN 0.184 nan 8.230 nan 0.000 0.433 251 A N 0.209 123.042 122.820 0.021 0.000 1.877 251 A HA -0.224 4.096 4.320 -0.000 0.000 0.216 251 A C 2.090 179.690 177.584 0.028 0.000 1.186 251 A CA 1.614 53.669 52.037 0.030 0.000 0.620 251 A CB -0.521 18.490 19.000 0.019 0.000 0.822 251 A HN 0.458 nan 8.150 nan 0.000 0.443 252 E N 0.463 120.672 120.200 0.014 0.000 2.187 252 E HA -0.235 4.115 4.350 -0.000 0.000 0.199 252 E C 2.186 178.796 176.600 0.016 0.000 1.004 252 E CA 1.494 57.899 56.400 0.009 0.000 0.813 252 E CB -0.338 29.362 29.700 -0.001 0.000 0.736 252 E HN 0.810 nan 8.360 nan 0.000 0.468 253 S N -0.323 115.391 115.700 0.023 0.000 2.419 253 S HA -0.111 4.358 4.470 -0.000 0.000 0.235 253 S C 1.897 176.519 174.600 0.037 0.000 1.019 253 S CA 1.192 59.409 58.200 0.029 0.000 0.982 253 S CB -0.344 62.877 63.200 0.034 0.000 0.789 253 S HN 0.479 nan 8.310 nan 0.000 0.490 254 G N 2.050 110.878 108.800 0.047 0.000 2.245 254 G HA2 -0.327 3.633 3.960 -0.000 0.000 0.264 254 G HA3 -0.327 3.633 3.960 -0.000 0.000 0.264 254 G C 0.789 175.734 174.900 0.075 0.000 0.985 254 G CA 0.360 45.495 45.100 0.059 0.000 0.625 254 G HN 0.679 nan 8.290 nan 0.000 0.536 255 R N 0.101 120.643 120.500 0.070 0.000 2.515 255 R HA 0.428 4.768 4.340 -0.000 0.000 0.294 255 R C 0.199 176.549 176.300 0.083 0.000 1.021 255 R CA -0.122 56.020 56.100 0.070 0.000 1.081 255 R CB 0.770 31.102 30.300 0.053 0.000 1.263 255 R HN 0.278 nan 8.270 nan 0.000 0.557 256 V N 2.915 122.903 119.914 0.124 0.000 2.455 256 V HA 0.004 4.124 4.120 -0.000 0.000 0.273 256 V C 1.189 177.374 176.094 0.153 0.000 1.045 256 V CA -0.016 62.371 62.300 0.144 0.000 0.976 256 V CB 1.251 33.194 31.823 0.199 0.000 0.993 256 V HN 0.429 nan 8.190 nan 0.000 0.475 257 Q N 3.395 123.129 119.800 -0.110 0.000 2.353 257 Q HA 0.287 4.627 4.340 -0.000 0.000 0.240 257 Q C 0.361 175.680 176.000 -1.134 0.000 0.868 257 Q CA -0.013 55.522 55.803 -0.447 0.000 0.944 257 Q CB 0.826 29.445 28.738 -0.197 0.000 1.104 257 Q HN 0.651 nan 8.270 nan 0.000 0.531 258 S N 0.281 115.541 115.700 -0.732 0.000 2.595 258 S HA 0.749 5.219 4.470 -0.000 0.000 0.281 258 S C -1.477 172.882 174.600 -0.403 0.000 1.117 258 S CA -0.911 56.916 58.200 -0.621 0.000 0.873 258 S CB 2.222 65.393 63.200 -0.049 0.000 1.108 258 S HN 0.259 nan 8.310 nan 0.000 0.477 259 L N 1.288 122.393 121.223 -0.197 0.000 2.464 259 L HA 0.650 4.990 4.340 -0.000 0.000 0.266 259 L C -2.147 174.658 176.870 -0.108 0.000 0.965 259 L CA -0.212 54.550 54.840 -0.130 0.000 0.833 259 L CB 1.997 44.117 42.059 0.102 0.000 1.296 259 L HN 0.644 nan 8.230 nan 0.000 0.405 260 D N 5.637 125.938 120.400 -0.164 0.000 2.308 260 D HA 0.485 5.124 4.640 -0.000 0.000 0.242 260 D C -0.799 175.427 176.300 -0.124 0.000 1.059 260 D CA 0.145 54.093 54.000 -0.087 0.000 0.830 260 D CB 2.354 43.123 40.800 -0.050 0.000 1.161 260 D HN 0.450 nan 8.370 nan 0.000 0.494 261 L N 2.757 123.920 121.223 -0.100 0.000 2.295 261 L HA 0.454 4.794 4.340 -0.000 0.000 0.281 261 L C 0.041 176.832 176.870 -0.132 0.000 1.018 261 L CA -0.858 53.912 54.840 -0.116 0.000 0.841 261 L CB 1.185 43.197 42.059 -0.079 0.000 1.218 261 L HN 0.158 nan 8.230 nan 0.000 0.424 262 V N -0.826 118.964 119.914 -0.206 0.000 3.158 262 V HA 0.612 4.732 4.120 -0.000 0.000 0.311 262 V C 0.285 176.236 176.094 -0.239 0.000 1.181 262 V CA -0.682 61.481 62.300 -0.228 0.000 1.054 262 V CB 1.986 33.618 31.823 -0.318 0.000 1.085 262 V HN 0.710 nan 8.190 nan 0.000 0.446 263 E N -1.022 119.059 120.200 -0.200 0.000 3.170 263 E HA -0.166 4.184 4.350 -0.000 0.000 0.284 263 E C 0.012 176.544 176.600 -0.113 0.000 0.967 263 E CA 0.958 57.260 56.400 -0.164 0.000 0.919 263 E CB -1.335 28.251 29.700 -0.190 0.000 1.469 263 E HN 0.709 nan 8.360 nan 0.000 0.444 264 V N 1.479 121.335 119.914 -0.096 0.000 2.614 264 V HA 0.163 4.283 4.120 -0.000 0.000 0.291 264 V C 0.737 176.798 176.094 -0.054 0.000 1.049 264 V CA 0.094 62.355 62.300 -0.064 0.000 1.038 264 V CB 1.329 33.123 31.823 -0.049 0.000 0.980 264 V HN 0.162 nan 8.190 nan 0.000 0.481 265 N N 6.308 124.982 118.700 -0.043 0.000 2.690 265 N HA 0.355 5.095 4.740 -0.000 0.000 0.255 265 N C -1.515 173.977 175.510 -0.030 0.000 1.195 265 N CA -1.787 51.239 53.050 -0.040 0.000 0.790 265 N CB 1.876 40.336 38.487 -0.044 0.000 1.216 265 N HN 0.253 nan 8.380 nan 0.000 0.528 266 P HA -0.164 nan 4.420 nan 0.000 0.220 266 P C 1.484 178.767 177.300 -0.029 0.000 1.144 266 P CA 0.590 63.674 63.100 -0.027 0.000 0.800 266 P CB 0.739 32.421 31.700 -0.030 0.000 0.772 267 I N -0.720 119.833 120.570 -0.029 0.000 2.614 267 I HA -0.109 4.061 4.170 -0.000 0.000 0.258 267 I C 1.860 177.964 176.117 -0.021 0.000 1.189 267 I CA 1.291 62.575 61.300 -0.026 0.000 1.462 267 I CB -0.197 37.787 38.000 -0.026 0.000 1.092 267 I HN -0.006 nan 8.210 nan 0.000 0.442 268 L N -1.034 120.177 121.223 -0.020 0.000 2.906 268 L HA 0.187 4.527 4.340 -0.000 0.000 0.255 268 L C 0.441 177.303 176.870 -0.013 0.000 1.166 268 L CA -0.258 54.573 54.840 -0.015 0.000 0.977 268 L CB 0.094 42.145 42.059 -0.013 0.000 1.313 268 L HN 0.006 nan 8.230 nan 0.000 0.549 269 D N 1.069 121.459 120.400 -0.016 0.000 2.478 269 D HA 0.211 4.851 4.640 -0.000 0.000 0.269 269 D C -0.415 175.877 176.300 -0.014 0.000 1.232 269 D CA 0.006 53.998 54.000 -0.014 0.000 1.059 269 D CB 1.021 41.813 40.800 -0.014 0.000 1.104 269 D HN -0.025 nan 8.370 nan 0.000 0.566 270 E N 0.197 120.390 120.200 -0.012 0.000 2.279 270 E HA 0.269 4.619 4.350 -0.000 0.000 0.252 270 E C -0.582 176.010 176.600 -0.013 0.000 0.894 270 E CA -0.609 55.783 56.400 -0.013 0.000 0.785 270 E CB 0.838 30.532 29.700 -0.011 0.000 1.237 270 E HN 0.272 nan 8.360 nan 0.000 0.418 271 R N 2.056 122.546 120.500 -0.016 0.000 3.758 271 R HA -0.256 4.084 4.340 -0.000 0.000 0.299 271 R C -0.075 176.219 176.300 -0.011 0.000 1.182 271 R CA 0.908 56.999 56.100 -0.015 0.000 0.809 271 R CB -2.901 27.392 30.300 -0.013 0.000 1.249 271 R HN 0.938 nan 8.270 nan 0.000 0.497 272 N N -0.014 118.678 118.700 -0.012 0.000 2.721 272 N HA -0.250 4.490 4.740 -0.000 0.000 0.249 272 N C 0.979 176.493 175.510 0.006 0.000 1.072 272 N CA 1.638 54.685 53.050 -0.005 0.000 0.710 272 N CB -0.274 38.211 38.487 -0.003 0.000 0.993 272 N HN 0.779 nan 8.380 nan 0.000 0.547 273 R N -2.733 117.768 120.500 0.003 0.000 2.299 273 R HA 0.121 4.461 4.340 -0.000 0.000 0.197 273 R C 1.069 177.380 176.300 0.019 0.000 0.971 273 R CA 1.288 57.394 56.100 0.010 0.000 1.030 273 R CB -0.214 30.087 30.300 0.001 0.000 0.932 273 R HN 0.183 nan 8.270 nan 0.000 0.477 274 T N 0.645 115.205 114.554 0.011 0.000 2.978 274 T HA 0.133 4.483 4.350 -0.000 0.000 0.262 274 T C 2.002 176.708 174.700 0.010 0.000 1.063 274 T CA 0.912 63.018 62.100 0.011 0.000 1.140 274 T CB 0.139 69.005 68.868 -0.003 0.000 0.886 274 T HN 0.434 nan 8.240 nan 0.000 0.470 275 A N 2.298 125.124 122.820 0.010 0.000 1.898 275 A HA -0.110 4.210 4.320 -0.000 0.000 0.216 275 A C 2.212 179.812 177.584 0.025 0.000 1.181 275 A CA 1.237 53.281 52.037 0.012 0.000 0.620 275 A CB -0.427 18.586 19.000 0.022 0.000 0.819 275 A HN 0.556 nan 8.150 nan 0.000 0.442 276 E N -0.294 119.929 120.200 0.038 0.000 2.110 276 E HA -0.196 4.154 4.350 -0.000 0.000 0.193 276 E C 2.008 178.658 176.600 0.083 0.000 0.988 276 E CA 1.234 57.667 56.400 0.055 0.000 0.804 276 E CB -0.406 29.326 29.700 0.054 0.000 0.745 276 E HN 0.560 nan 8.360 nan 0.000 0.458 277 M N 0.348 119.999 119.600 0.084 0.000 2.067 277 M HA -0.141 4.339 4.480 -0.000 0.000 0.260 277 M C 2.435 178.764 176.300 0.048 0.000 1.069 277 M CA 1.112 56.485 55.300 0.122 0.000 1.117 277 M CB -0.694 31.966 32.600 0.100 0.000 1.334 277 M HN 0.136 nan 8.290 nan 0.000 0.407 278 L N -0.048 121.177 121.223 0.003 0.000 1.989 278 L HA -0.156 4.184 4.340 -0.000 0.000 0.211 278 L C 2.582 179.437 176.870 -0.026 0.000 1.071 278 L CA 1.411 56.229 54.840 -0.038 0.000 0.749 278 L CB -1.228 40.803 42.059 -0.047 0.000 0.890 278 L HN 0.047 nan 8.230 nan 0.000 0.431 279 V N -0.160 119.754 119.914 -0.000 0.000 2.324 279 V HA -0.310 3.810 4.120 -0.000 0.000 0.250 279 V C 2.526 178.633 176.094 0.022 0.000 1.060 279 V CA 2.007 64.308 62.300 0.003 0.000 1.042 279 V CB -1.567 30.266 31.823 0.016 0.000 0.650 279 V HN 0.624 nan 8.190 nan 0.000 0.450 280 G N -0.606 108.236 108.800 0.070 0.000 2.432 280 G HA2 -0.174 3.786 3.960 -0.000 0.000 0.219 280 G HA3 -0.174 3.786 3.960 -0.000 0.000 0.219 280 G C 1.551 176.536 174.900 0.143 0.000 1.135 280 G CA 0.801 45.991 45.100 0.149 0.000 0.767 280 G HN 0.495 nan 8.290 nan 0.000 0.550 281 L N 0.439 121.650 121.223 -0.021 0.000 2.131 281 L HA 0.089 4.429 4.340 -0.000 0.000 0.206 281 L C 3.344 180.166 176.870 -0.081 0.000 1.087 281 L CA 0.736 55.483 54.840 -0.156 0.000 0.767 281 L CB -0.333 41.578 42.059 -0.247 0.000 0.917 281 L HN 0.271 nan 8.230 nan 0.000 0.441 282 A N 0.453 123.234 122.820 -0.065 0.000 1.933 282 A HA -0.165 4.155 4.320 -0.000 0.000 0.218 282 A C 2.246 179.782 177.584 -0.081 0.000 1.175 282 A CA 1.447 53.438 52.037 -0.077 0.000 0.628 282 A CB -0.674 18.280 19.000 -0.077 0.000 0.814 282 A HN 0.363 nan 8.150 nan 0.000 0.444 283 L N -0.820 120.380 121.223 -0.037 0.000 2.093 283 L HA -0.125 4.214 4.340 -0.000 0.000 0.208 283 L C 2.763 179.636 176.870 0.004 0.000 1.085 283 L CA 1.343 56.174 54.840 -0.016 0.000 0.755 283 L CB -0.400 41.671 42.059 0.020 0.000 0.904 283 L HN 0.298 nan 8.230 nan 0.000 0.435 284 S N -0.108 115.609 115.700 0.028 0.000 2.406 284 S HA -0.104 4.366 4.470 -0.000 0.000 0.228 284 S C 1.786 176.387 174.600 0.002 0.000 1.020 284 S CA 0.877 59.102 58.200 0.041 0.000 0.965 284 S CB -0.129 63.136 63.200 0.108 0.000 0.798 284 S HN 0.234 nan 8.310 nan 0.000 0.488 285 L N 0.645 121.851 121.223 -0.028 0.000 2.240 285 L HA 0.221 4.561 4.340 -0.000 0.000 0.211 285 L C 0.742 177.580 176.870 -0.052 0.000 1.106 285 L CA 1.244 56.065 54.840 -0.031 0.000 0.793 285 L CB -0.151 41.887 42.059 -0.035 0.000 0.927 285 L HN 0.169 nan 8.230 nan 0.000 0.446 286 L N 0.261 121.425 121.223 -0.098 0.000 2.851 286 L HA 0.443 4.783 4.340 -0.000 0.000 0.237 286 L C 1.378 178.273 176.870 0.041 0.000 1.257 286 L CA 0.605 55.360 54.840 -0.141 0.000 1.061 286 L CB -0.484 41.353 42.059 -0.370 0.000 1.372 286 L HN 0.369 nan 8.230 nan 0.000 0.493 287 G N -0.976 107.839 108.800 0.026 0.000 2.213 287 G HA2 -0.315 3.645 3.960 -0.000 0.000 0.236 287 G HA3 -0.315 3.645 3.960 -0.000 0.000 0.236 287 G C 0.724 175.640 174.900 0.026 0.000 0.991 287 G CA 0.089 45.210 45.100 0.035 0.000 0.629 287 G HN 0.359 nan 8.290 nan 0.000 0.517 288 K N 1.110 121.529 120.400 0.032 0.000 2.447 288 K HA 0.460 4.780 4.320 -0.000 0.000 0.281 288 K C 0.571 177.182 176.600 0.018 0.000 1.031 288 K CA 0.191 56.493 56.287 0.025 0.000 1.019 288 K CB 0.173 32.690 32.500 0.028 0.000 0.918 288 K HN 0.438 nan 8.250 nan 0.000 0.476 289 R N 3.580 124.092 120.500 0.020 0.000 2.888 289 R HA 0.336 4.676 4.340 -0.000 0.000 0.266 289 R C 0.884 177.210 176.300 0.044 0.000 1.020 289 R CA -0.980 55.135 56.100 0.026 0.000 0.963 289 R CB 0.838 31.152 30.300 0.024 0.000 1.197 289 R HN 0.470 nan 8.270 nan 0.000 0.481 290 I N 0.454 121.059 120.570 0.058 0.000 2.286 290 I HA 0.025 4.195 4.170 -0.000 0.000 0.245 290 I C 0.804 177.019 176.117 0.164 0.000 1.104 290 I CA 1.585 62.931 61.300 0.075 0.000 1.397 290 I CB -0.146 37.895 38.000 0.069 0.000 1.072 290 I HN 0.450 nan 8.210 nan 0.000 0.417 291 F N 0.000 119.940 119.950 -0.016 0.000 2.286 291 F HA 0.000 4.527 4.527 -0.000 0.000 0.279 291 F CA 0.000 57.992 58.000 -0.014 0.000 1.383 291 F CB 0.000 38.993 39.000 -0.012 0.000 1.145 291 F HN 0.000 nan 8.300 nan 0.000 0.574