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 2we7_1_B DATA FIRST_RESID 4 DATA SEQUENCE GVRDVLGTLS AVWESGGTAG VGTVVRXXXX XXXPAGASXV VAPDGTVSGS DATA SEQUENCE VSGGCVEGAV YDLATEVVAT GTPVLQRYXX XXXXXXXXXX XXGGILDVFV DATA SEQUENCE EPVSQKTFPQ LGAIRDDIEA QRPVAVATVI THPDAQWIGR RLVVHTDEVA DATA SEQUENCE GSLGSSRADA AVTDDARGLL AAGRSEVLTY GPDGQRRGEG XEVFVSSYAP DATA SEQUENCE RPRXLVFGAI DFAAAVAQQG AFLGYRVTVC DARPVFATTA RFPTADEVVV DATA SEQUENCE DWPHRYLAAQ AEAGAIDART VVCVLTHDPK FDVPLLEVAL RLPDIAYIGA DATA SEQUENCE XGSRRTHEDR LARLREAGLT EEELARLSSP IGLDLGGRTP EETAVSIAAE DATA SEQUENCE IIAKRW 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 4 G HA2 0.000 nan 3.960 nan 0.000 0.244 4 G HA3 0.000 3.960 3.960 0.000 0.000 0.244 4 G C 0.000 175.035 174.900 0.226 0.000 0.946 4 G CA 0.000 45.189 45.100 0.148 0.000 0.502 5 V N 2.237 122.334 119.914 0.304 0.000 3.337 5 V HA 0.210 4.330 4.120 0.000 0.000 0.307 5 V C 1.824 177.944 176.094 0.043 0.000 1.505 5 V CA 0.109 62.499 62.300 0.151 0.000 1.072 5 V CB -0.154 31.750 31.823 0.135 0.000 0.929 5 V HN 0.536 nan 8.190 nan 0.000 0.455 6 R N 1.118 121.652 120.500 0.057 0.000 2.341 6 R HA -0.090 4.250 4.340 0.000 0.000 0.213 6 R C 1.570 177.868 176.300 -0.004 0.000 1.082 6 R CA 1.558 57.661 56.100 0.004 0.000 1.017 6 R CB -0.066 30.250 30.300 0.027 0.000 0.860 6 R HN 0.762 nan 8.270 nan 0.000 0.473 7 D N -0.133 120.272 120.400 0.009 0.000 2.414 7 D HA -0.095 4.545 4.640 0.000 0.000 0.237 7 D C 1.700 178.000 176.300 0.001 0.000 0.975 7 D CA 0.785 54.789 54.000 0.005 0.000 0.917 7 D CB -0.492 40.316 40.800 0.013 0.000 1.061 7 D HN 0.162 nan 8.370 nan 0.000 0.480 8 V N -0.767 119.151 119.914 0.006 0.000 3.573 8 V HA 0.119 4.239 4.120 0.000 0.000 0.270 8 V C 2.463 178.547 176.094 -0.016 0.000 1.221 8 V CA 0.070 62.373 62.300 0.005 0.000 1.163 8 V CB -0.881 30.954 31.823 0.020 0.000 0.847 8 V HN 0.004 nan 8.190 nan 0.000 0.468 9 L N 2.809 124.009 121.223 -0.039 0.000 2.089 9 L HA -0.036 4.304 4.340 0.000 0.000 0.213 9 L C 2.420 179.253 176.870 -0.061 0.000 1.079 9 L CA 2.490 57.283 54.840 -0.079 0.000 0.758 9 L CB -1.105 40.893 42.059 -0.101 0.000 0.891 9 L HN 0.359 nan 8.230 nan 0.000 0.433 10 G N -2.154 106.626 108.800 -0.034 0.000 2.433 10 G HA2 -0.265 3.695 3.960 0.000 0.000 0.216 10 G HA3 -0.265 3.695 3.960 0.000 0.000 0.216 10 G C 1.406 176.304 174.900 -0.004 0.000 1.186 10 G CA 1.250 46.339 45.100 -0.018 0.000 0.779 10 G HN 0.463 nan 8.290 nan 0.000 0.543 11 T N 0.954 115.510 114.554 0.003 0.000 2.812 11 T HA -0.025 4.325 4.350 0.000 0.000 0.264 11 T C 2.238 176.953 174.700 0.026 0.000 1.042 11 T CA 0.952 63.063 62.100 0.018 0.000 1.140 11 T CB -0.204 68.677 68.868 0.022 0.000 0.870 11 T HN 0.087 nan 8.240 nan 0.000 0.445 12 L N 1.665 122.895 121.223 0.012 0.000 2.027 12 L HA 0.049 4.389 4.340 0.000 0.000 0.206 12 L C 2.660 179.550 176.870 0.034 0.000 1.074 12 L CA 1.796 56.645 54.840 0.016 0.000 0.745 12 L CB -1.093 40.952 42.059 -0.023 0.000 0.898 12 L HN 0.273 nan 8.230 nan 0.000 0.433 13 S N -0.853 114.842 115.700 -0.009 0.000 2.419 13 S HA -0.128 4.342 4.470 0.000 0.000 0.233 13 S C 2.107 176.777 174.600 0.116 0.000 1.016 13 S CA 1.058 59.276 58.200 0.029 0.000 0.974 13 S CB -0.380 62.794 63.200 -0.043 0.000 0.786 13 S HN 0.577 nan 8.310 nan 0.000 0.492 14 A N 0.604 123.467 122.820 0.072 0.000 1.969 14 A HA 0.074 4.394 4.320 0.000 0.000 0.218 14 A C 2.245 179.877 177.584 0.081 0.000 1.169 14 A CA 1.553 53.631 52.037 0.068 0.000 0.635 14 A CB -0.682 18.343 19.000 0.041 0.000 0.810 14 A HN 0.490 nan 8.150 nan 0.000 0.445 15 V N -2.714 117.259 119.914 0.099 0.000 2.488 15 V HA -0.184 3.936 4.120 0.000 0.000 0.246 15 V C 2.118 178.290 176.094 0.129 0.000 1.046 15 V CA 1.362 63.719 62.300 0.095 0.000 1.053 15 V CB -0.970 30.908 31.823 0.091 0.000 0.679 15 V HN 0.815 nan 8.190 nan 0.000 0.458 16 W N 1.522 122.809 121.300 -0.022 0.000 2.338 16 W HA -0.172 4.488 4.660 -0.000 0.000 0.304 16 W C 2.228 178.733 176.519 -0.023 0.000 1.212 16 W CA 1.889 59.217 57.345 -0.027 0.000 1.264 16 W CB 0.035 29.459 29.460 -0.060 0.000 1.142 16 W HN 0.251 nan 8.180 nan 0.000 0.512 17 E N -0.919 119.351 120.200 0.117 0.000 2.481 17 E HA -0.070 4.280 4.350 0.000 0.000 0.195 17 E C 1.796 178.359 176.600 -0.062 0.000 1.047 17 E CA 0.974 57.367 56.400 -0.012 0.000 0.867 17 E CB -0.044 29.703 29.700 0.079 0.000 0.858 17 E HN 0.188 nan 8.360 nan 0.000 0.513 18 S N -1.658 114.015 115.700 -0.045 0.000 2.572 18 S HA 0.346 4.816 4.470 0.000 0.000 0.228 18 S C 1.552 176.110 174.600 -0.071 0.000 0.963 18 S CA 0.052 58.225 58.200 -0.044 0.000 0.939 18 S CB 0.610 63.804 63.200 -0.010 0.000 0.804 18 S HN 0.312 nan 8.310 nan 0.000 0.480 19 G N 1.417 110.138 108.800 -0.131 0.000 2.779 19 G HA2 -0.258 3.702 3.960 0.000 0.000 0.230 19 G HA3 -0.258 3.702 3.960 0.000 0.000 0.230 19 G C 0.719 175.563 174.900 -0.093 0.000 1.243 19 G CA 0.023 45.038 45.100 -0.142 0.000 0.769 19 G HN 1.269 nan 8.290 nan 0.000 0.516 20 G N 0.046 108.817 108.800 -0.049 0.000 2.690 20 G HA2 0.466 4.426 3.960 0.000 0.000 0.239 20 G HA3 0.466 4.426 3.960 0.000 0.000 0.239 20 G C 0.221 175.123 174.900 0.003 0.000 1.233 20 G CA 1.393 46.482 45.100 -0.018 0.000 0.847 20 G HN 1.110 nan 8.290 nan 0.000 0.588 21 T N -0.985 113.580 114.554 0.019 0.000 2.925 21 T HA 0.657 5.007 4.350 0.000 0.000 0.285 21 T C -0.039 174.692 174.700 0.051 0.000 1.021 21 T CA 0.133 62.262 62.100 0.048 0.000 1.042 21 T CB 1.143 70.037 68.868 0.045 0.000 1.037 21 T HN 1.185 nan 8.240 nan 0.000 0.481 22 A N 2.189 125.055 122.820 0.078 0.000 2.414 22 A HA 0.813 5.133 4.320 0.000 0.000 0.306 22 A C 0.187 177.806 177.584 0.059 0.000 1.054 22 A CA -0.568 51.505 52.037 0.060 0.000 0.724 22 A CB 1.493 20.538 19.000 0.076 0.000 1.267 22 A HN 1.098 nan 8.150 nan 0.000 0.418 23 G N -0.021 108.790 108.800 0.019 0.000 2.377 23 G HA2 0.547 4.507 3.960 0.000 0.000 0.299 23 G HA3 0.547 4.507 3.960 0.000 0.000 0.299 23 G C -0.850 174.068 174.900 0.030 0.000 1.150 23 G CA -0.283 44.822 45.100 0.009 0.000 0.847 23 G HN 0.991 nan 8.290 nan 0.000 0.501 24 V N 1.136 121.084 119.914 0.056 0.000 2.577 24 V HA 0.741 4.861 4.120 0.000 0.000 0.303 24 V C 0.554 176.698 176.094 0.083 0.000 1.042 24 V CA -0.629 61.721 62.300 0.084 0.000 0.872 24 V CB 1.785 33.691 31.823 0.138 0.000 0.998 24 V HN 1.005 nan 8.190 nan 0.000 0.423 25 G N 2.252 111.095 108.800 0.071 0.000 2.379 25 G HA2 0.696 4.656 3.960 0.000 0.000 0.327 25 G HA3 0.696 4.656 3.960 0.000 0.000 0.327 25 G C -0.532 174.424 174.900 0.092 0.000 1.145 25 G CA -0.329 44.813 45.100 0.070 0.000 0.905 25 G HN 0.623 nan 8.290 nan 0.000 0.466 26 T N -0.082 114.539 114.554 0.110 0.000 2.906 26 T HA 0.583 4.933 4.350 0.000 0.000 0.295 26 T C -0.188 174.501 174.700 -0.018 0.000 1.075 26 T CA -0.560 61.585 62.100 0.075 0.000 1.005 26 T CB 1.831 70.785 68.868 0.143 0.000 1.136 26 T HN 1.011 nan 8.240 nan 0.000 0.498 27 V N 0.819 120.674 119.914 -0.099 0.000 2.398 27 V HA 0.620 4.740 4.120 0.000 0.000 0.286 27 V C 0.278 176.122 176.094 -0.415 0.000 1.026 27 V CA -0.354 61.851 62.300 -0.160 0.000 0.868 27 V CB 0.935 32.705 31.823 -0.089 0.000 0.982 27 V HN 0.717 nan 8.190 nan 0.000 0.443 28 V N 4.461 124.103 119.914 -0.453 0.000 2.581 28 V HA 0.306 4.426 4.120 0.000 0.000 0.240 28 V C 1.446 177.373 176.094 -0.279 0.000 1.054 28 V CA 0.870 62.749 62.300 -0.702 0.000 1.076 28 V CB -0.351 31.175 31.823 -0.495 0.000 0.748 28 V HN 0.908 nan 8.190 nan 0.000 0.474 38 A N 0.435 123.258 122.820 0.005 0.000 2.546 38 A HA 0.481 4.801 4.320 0.000 0.000 0.243 38 A C 1.380 179.015 177.584 0.085 0.000 1.063 38 A CA 1.584 53.619 52.037 -0.003 0.000 0.757 38 A CB -0.766 18.261 19.000 0.045 0.000 0.991 38 A HN 1.707 nan 8.150 nan 0.000 0.503 39 G N 0.846 109.699 108.800 0.090 0.000 2.238 39 G HA2 0.184 4.144 3.960 0.000 0.000 0.217 39 G HA3 0.184 4.144 3.960 0.000 0.000 0.217 39 G C 0.631 175.597 174.900 0.110 0.000 0.996 39 G CA 0.273 45.484 45.100 0.184 0.000 0.632 39 G HN 2.188 nan 8.290 nan 0.000 0.503 40 A N 0.312 123.164 122.820 0.054 0.000 2.483 40 A HA 0.727 5.047 4.320 0.000 0.000 0.238 40 A C 0.845 178.461 177.584 0.053 0.000 1.070 40 A CA 1.445 53.509 52.037 0.045 0.000 0.770 40 A CB 0.333 19.344 19.000 0.018 0.000 1.008 40 A HN 2.038 nan 8.150 nan 0.000 0.497 44 V N 6.251 126.176 119.914 0.018 0.000 2.407 44 V HA 0.860 4.980 4.120 0.000 0.000 0.291 44 V C 0.693 176.789 176.094 0.003 0.000 1.018 44 V CA 0.093 62.389 62.300 -0.008 0.000 0.842 44 V CB 1.386 33.116 31.823 -0.155 0.000 0.996 44 V HN 1.375 nan 8.190 nan 0.000 0.426 45 A N 6.841 129.680 122.820 0.032 0.000 2.313 45 A HA 0.640 4.960 4.320 0.000 0.000 0.261 45 A C -1.557 176.039 177.584 0.020 0.000 1.090 45 A CA -1.227 50.830 52.037 0.033 0.000 0.807 45 A CB 0.119 19.145 19.000 0.044 0.000 1.055 45 A HN 0.681 nan 8.150 nan 0.000 0.492 46 P HA 0.008 nan 4.420 nan 0.000 0.247 46 P C -0.049 177.262 177.300 0.018 0.000 1.225 46 P CA 0.938 64.045 63.100 0.011 0.000 0.768 46 P CB 0.085 31.793 31.700 0.012 0.000 1.020 47 D N -2.280 118.137 120.400 0.030 0.000 2.417 47 D HA 0.149 4.789 4.640 0.000 0.000 0.207 47 D C 1.477 177.814 176.300 0.061 0.000 1.075 47 D CA 0.555 54.577 54.000 0.037 0.000 0.851 47 D CB -0.202 40.619 40.800 0.034 0.000 0.976 47 D HN 0.192 nan 8.370 nan 0.000 0.505 48 G N 0.299 109.146 108.800 0.078 0.000 2.481 48 G HA2 -0.225 3.735 3.960 0.000 0.000 0.200 48 G HA3 -0.225 3.735 3.960 0.000 0.000 0.200 48 G C 0.533 175.567 174.900 0.225 0.000 1.012 48 G CA 0.154 45.350 45.100 0.160 0.000 0.676 48 G HN 0.725 nan 8.290 nan 0.000 0.488 49 T N 0.440 115.076 114.554 0.137 0.000 2.937 49 T HA 0.492 4.842 4.350 0.000 0.000 0.316 49 T C 0.296 175.087 174.700 0.152 0.000 1.079 49 T CA 0.719 62.893 62.100 0.124 0.000 1.131 49 T CB 1.360 70.271 68.868 0.072 0.000 1.000 49 T HN 1.002 nan 8.240 nan 0.000 0.549 50 V N 3.353 123.353 119.914 0.144 0.000 2.960 50 V HA 0.821 4.941 4.120 0.000 0.000 0.315 50 V C -0.110 176.032 176.094 0.080 0.000 1.087 50 V CA -0.769 61.617 62.300 0.144 0.000 0.982 50 V CB 2.440 34.381 31.823 0.198 0.000 1.039 50 V HN 1.306 nan 8.190 nan 0.000 0.437 51 S N 0.105 115.846 115.700 0.069 0.000 2.625 51 S HA 0.911 5.381 4.470 0.000 0.000 0.271 51 S C -0.104 174.521 174.600 0.041 0.000 1.161 51 S CA -0.294 57.933 58.200 0.045 0.000 0.820 51 S CB 1.349 64.572 63.200 0.038 0.000 1.137 51 S HN 2.182 nan 8.310 nan 0.000 0.470 52 G N 0.370 109.188 108.800 0.030 0.000 2.877 52 G HA2 0.211 4.171 3.960 0.000 0.000 0.279 52 G HA3 0.211 4.171 3.960 0.000 0.000 0.279 52 G C -0.301 174.614 174.900 0.025 0.000 1.431 52 G CA -0.134 44.983 45.100 0.028 0.000 0.883 52 G HN 1.795 nan 8.290 nan 0.000 0.547 53 S N -1.675 114.037 115.700 0.020 0.000 2.566 53 S HA 0.596 5.066 4.470 0.000 0.000 0.273 53 S C 0.709 175.311 174.600 0.004 0.000 1.157 53 S CA 0.578 58.783 58.200 0.009 0.000 0.938 53 S CB 1.601 64.801 63.200 0.001 0.000 1.087 53 S HN 2.132 nan 8.310 nan 0.000 0.474 54 V N 1.747 121.656 119.914 -0.009 0.000 3.621 54 V HA 0.485 4.605 4.120 0.000 0.000 0.263 54 V C 0.781 176.849 176.094 -0.043 0.000 1.272 54 V CA 0.354 62.641 62.300 -0.022 0.000 1.080 54 V CB 0.310 32.117 31.823 -0.027 0.000 0.816 54 V HN 0.605 nan 8.190 nan 0.000 0.451 55 S N 0.895 116.566 115.700 -0.048 0.000 2.475 55 S HA 0.655 5.125 4.470 0.000 0.000 0.298 55 S C 1.224 175.800 174.600 -0.039 0.000 1.119 55 S CA 0.176 58.340 58.200 -0.061 0.000 1.085 55 S CB 1.392 64.543 63.200 -0.081 0.000 1.028 55 S HN 0.547 nan 8.310 nan 0.000 0.489 56 G N 2.652 111.431 108.800 -0.035 0.000 2.744 56 G HA2 0.438 4.398 3.960 0.000 0.000 0.211 56 G HA3 0.438 4.398 3.960 0.000 0.000 0.211 56 G C 0.576 175.461 174.900 -0.024 0.000 1.143 56 G CA 0.360 45.446 45.100 -0.023 0.000 0.788 56 G HN 0.954 nan 8.290 nan 0.000 0.534 57 G N -1.801 106.978 108.800 -0.034 0.000 2.871 57 G HA2 0.268 4.228 3.960 0.000 0.000 0.282 57 G HA3 0.268 4.228 3.960 0.000 0.000 0.282 57 G C 0.333 175.207 174.900 -0.044 0.000 1.212 57 G CA 0.339 45.419 45.100 -0.033 0.000 0.812 57 G HN -0.037 nan 8.290 nan 0.000 0.547 58 C N 0.268 119.543 119.300 -0.041 0.000 2.449 58 C HA 0.086 4.546 4.460 0.000 0.000 0.283 58 C C 2.942 177.895 174.990 -0.062 0.000 1.453 58 C CA 0.680 59.673 59.018 -0.042 0.000 1.779 58 C CB -1.184 26.540 27.740 -0.028 0.000 1.779 58 C HN 0.371 nan 8.230 nan 0.000 0.546 59 V N 1.078 120.934 119.914 -0.096 0.000 2.568 59 V HA -0.253 3.867 4.120 0.000 0.000 0.253 59 V C 2.430 178.416 176.094 -0.180 0.000 1.072 59 V CA 2.213 64.406 62.300 -0.178 0.000 1.084 59 V CB -0.772 30.878 31.823 -0.289 0.000 0.676 59 V HN 0.686 nan 8.190 nan 0.000 0.469 60 E N 1.014 121.144 120.200 -0.116 0.000 2.085 60 E HA -0.205 4.145 4.350 0.000 0.000 0.194 60 E C 2.320 178.906 176.600 -0.025 0.000 0.994 60 E CA 1.536 57.893 56.400 -0.072 0.000 0.801 60 E CB -0.576 29.099 29.700 -0.040 0.000 0.743 60 E HN 0.534 nan 8.360 nan 0.000 0.453 61 G N 0.963 109.746 108.800 -0.029 0.000 2.574 61 G HA2 -0.386 3.574 3.960 0.000 0.000 0.220 61 G HA3 -0.386 3.574 3.960 0.000 0.000 0.220 61 G C 1.703 176.633 174.900 0.049 0.000 1.173 61 G CA 1.574 46.671 45.100 -0.006 0.000 0.772 61 G HN 0.482 nan 8.290 nan 0.000 0.585 62 A N -0.289 122.545 122.820 0.024 0.000 1.933 62 A HA 0.093 4.413 4.320 0.000 0.000 0.218 62 A C 2.630 180.265 177.584 0.086 0.000 1.175 62 A CA 1.879 53.954 52.037 0.063 0.000 0.628 62 A CB -0.652 18.391 19.000 0.072 0.000 0.814 62 A HN 0.319 nan 8.150 nan 0.000 0.444 63 V N -1.404 118.533 119.914 0.038 0.000 2.332 63 V HA -0.307 3.813 4.120 0.000 0.000 0.248 63 V C 2.282 178.423 176.094 0.079 0.000 1.055 63 V CA 2.170 64.498 62.300 0.048 0.000 1.038 63 V CB -0.975 30.846 31.823 -0.003 0.000 0.651 63 V HN 0.722 nan 8.190 nan 0.000 0.450 64 Y N 1.737 122.032 120.300 -0.009 0.000 2.139 64 Y HA -0.348 4.202 4.550 -0.000 0.000 0.282 64 Y C 2.295 178.199 175.900 0.006 0.000 1.179 64 Y CA 2.318 60.417 58.100 -0.001 0.000 1.161 64 Y CB -0.287 38.170 38.460 -0.004 0.000 0.970 64 Y HN 0.429 nan 8.280 nan 0.000 0.511 65 D N -0.063 120.440 120.400 0.172 0.000 2.117 65 D HA -0.186 4.454 4.640 0.000 0.000 0.197 65 D C 2.149 178.455 176.300 0.010 0.000 0.987 65 D CA 1.345 55.405 54.000 0.101 0.000 0.829 65 D CB -0.717 40.150 40.800 0.111 0.000 0.961 65 D HN 0.351 nan 8.370 nan 0.000 0.460 66 L N 0.902 122.135 121.223 0.016 0.000 1.994 66 L HA -0.114 4.226 4.340 0.000 0.000 0.208 66 L C 2.323 179.160 176.870 -0.055 0.000 1.071 66 L CA 1.561 56.397 54.840 -0.007 0.000 0.745 66 L CB -0.814 41.258 42.059 0.022 0.000 0.892 66 L HN -0.002 nan 8.230 nan 0.000 0.431 67 A N -1.190 121.579 122.820 -0.085 0.000 1.859 67 A HA -0.338 3.982 4.320 0.000 0.000 0.218 67 A C 2.302 179.800 177.584 -0.143 0.000 1.209 67 A CA 3.015 54.977 52.037 -0.124 0.000 0.639 67 A CB -1.455 17.441 19.000 -0.173 0.000 0.835 67 A HN 0.486 nan 8.150 nan 0.000 0.450 68 T N -0.373 114.052 114.554 -0.216 0.000 2.624 68 T HA -0.223 4.127 4.350 0.000 0.000 0.268 68 T C 1.875 176.524 174.700 -0.085 0.000 1.041 68 T CA 1.627 63.626 62.100 -0.169 0.000 1.159 68 T CB -0.375 68.387 68.868 -0.176 0.000 0.863 68 T HN 0.550 nan 8.240 nan 0.000 0.434 69 E N 0.321 120.482 120.200 -0.065 0.000 2.077 69 E HA -0.100 4.250 4.350 0.000 0.000 0.193 69 E C 2.420 178.997 176.600 -0.039 0.000 0.989 69 E CA 0.869 57.246 56.400 -0.038 0.000 0.800 69 E CB -0.186 29.499 29.700 -0.025 0.000 0.746 69 E HN 0.300 nan 8.360 nan 0.000 0.452 70 V N 0.658 120.541 119.914 -0.051 0.000 2.343 70 V HA -0.235 3.885 4.120 0.000 0.000 0.247 70 V C 2.551 178.624 176.094 -0.036 0.000 1.051 70 V CA 1.269 63.538 62.300 -0.050 0.000 1.036 70 V CB -0.356 31.423 31.823 -0.072 0.000 0.654 70 V HN 0.113 nan 8.190 nan 0.000 0.451 71 V N 0.145 120.036 119.914 -0.038 0.000 2.295 71 V HA -0.266 3.854 4.120 0.000 0.000 0.246 71 V C 2.719 178.805 176.094 -0.014 0.000 1.049 71 V CA 1.981 64.269 62.300 -0.020 0.000 1.024 71 V CB -1.095 30.712 31.823 -0.027 0.000 0.648 71 V HN 0.570 nan 8.190 nan 0.000 0.447 72 A N 0.670 123.477 122.820 -0.021 0.000 1.892 72 A HA -0.311 4.009 4.320 0.000 0.000 0.218 72 A C 2.501 180.080 177.584 -0.008 0.000 1.188 72 A CA 3.162 55.191 52.037 -0.013 0.000 0.631 72 A CB -1.085 17.906 19.000 -0.015 0.000 0.822 72 A HN 0.678 nan 8.150 nan 0.000 0.447 73 T N -4.433 110.115 114.554 -0.010 0.000 2.698 73 T HA 0.338 4.688 4.350 0.000 0.000 0.260 73 T C 1.757 176.457 174.700 0.001 0.000 1.044 73 T CA 1.744 63.841 62.100 -0.005 0.000 1.149 73 T CB -0.601 68.261 68.868 -0.009 0.000 0.864 73 T HN 1.795 nan 8.240 nan 0.000 0.419 74 G N 1.061 109.861 108.800 -0.001 0.000 2.231 74 G HA2 -0.143 3.817 3.960 0.000 0.000 0.206 74 G HA3 -0.143 3.817 3.960 0.000 0.000 0.206 74 G C 0.329 175.236 174.900 0.012 0.000 0.996 74 G CA 0.160 45.266 45.100 0.011 0.000 0.645 74 G HN 1.178 nan 8.290 nan 0.000 0.498 75 T N 1.156 115.710 114.554 0.000 0.000 2.733 75 T HA 0.620 4.970 4.350 0.000 0.000 0.294 75 T C -2.345 172.333 174.700 -0.037 0.000 0.956 75 T CA -1.666 60.434 62.100 0.001 0.000 0.987 75 T CB 2.207 71.079 68.868 0.006 0.000 0.920 75 T HN 0.091 nan 8.240 nan 0.000 0.470 76 P HA 0.325 nan 4.420 nan 0.000 0.267 76 P C -0.855 176.307 177.300 -0.229 0.000 1.200 76 P CA -0.400 62.593 63.100 -0.178 0.000 0.772 76 P CB 0.537 32.227 31.700 -0.015 0.000 0.855 77 V N 3.043 122.701 119.914 -0.428 0.000 2.888 77 V HA 0.377 4.497 4.120 0.000 0.000 0.309 77 V C -0.503 175.360 176.094 -0.385 0.000 1.114 77 V CA -0.740 61.391 62.300 -0.281 0.000 0.940 77 V CB 2.185 33.915 31.823 -0.155 0.000 1.021 77 V HN 0.329 nan 8.190 nan 0.000 0.426 78 L N 3.152 124.294 121.223 -0.135 0.000 2.307 78 L HA 0.786 5.126 4.340 0.000 0.000 0.284 78 L C -0.465 176.387 176.870 -0.029 0.000 1.023 78 L CA 0.148 54.985 54.840 -0.005 0.000 0.810 78 L CB 1.695 43.870 42.059 0.193 0.000 1.231 78 L HN 0.798 nan 8.230 nan 0.000 0.423 79 Q N 3.284 123.066 119.800 -0.030 0.000 2.337 79 Q HA 0.507 4.847 4.340 0.000 0.000 0.270 79 Q C -1.170 174.678 176.000 -0.254 0.000 1.043 79 Q CA -0.468 55.237 55.803 -0.163 0.000 0.794 79 Q CB 1.886 30.511 28.738 -0.187 0.000 1.281 79 Q HN 0.615 nan 8.270 nan 0.000 0.446 80 R N 2.103 122.386 120.500 -0.361 0.000 2.404 80 R HA 0.557 4.897 4.340 0.000 0.000 0.291 80 R C -1.071 174.914 176.300 -0.525 0.000 1.025 80 R CA -0.002 55.937 56.100 -0.269 0.000 0.991 80 R CB 0.652 30.868 30.300 -0.141 0.000 1.053 80 R HN 0.671 nan 8.270 nan 0.000 0.479 97 G N -0.003 108.809 108.800 0.021 0.000 2.653 97 G HA2 0.389 4.349 3.960 0.000 0.000 0.656 97 G HA3 0.389 4.349 3.960 0.000 0.000 0.656 97 G C -1.090 173.829 174.900 0.032 0.000 1.419 97 G CA -0.719 44.394 45.100 0.021 0.000 0.862 97 G HN 1.057 nan 8.290 nan 0.000 0.639 98 I N 1.788 122.375 120.570 0.028 0.000 2.306 98 I HA 0.672 4.842 4.170 0.000 0.000 0.288 98 I C -0.000 176.138 176.117 0.035 0.000 1.036 98 I CA -0.537 60.784 61.300 0.035 0.000 1.221 98 I CB 1.290 39.305 38.000 0.025 0.000 1.385 98 I HN 0.521 nan 8.210 nan 0.000 0.472 99 L N 6.051 127.308 121.223 0.056 0.000 2.472 99 L HA 0.585 4.925 4.340 0.000 0.000 0.260 99 L C -1.397 175.531 176.870 0.097 0.000 0.963 99 L CA -0.337 54.532 54.840 0.048 0.000 0.829 99 L CB 2.224 44.298 42.059 0.025 0.000 1.348 99 L HN 0.369 nan 8.230 nan 0.000 0.408 100 D N 2.310 122.744 120.400 0.057 0.000 2.498 100 D HA 0.646 5.286 4.640 0.000 0.000 0.247 100 D C -1.092 175.246 176.300 0.062 0.000 1.070 100 D CA -0.106 53.943 54.000 0.081 0.000 0.842 100 D CB 2.777 43.596 40.800 0.031 0.000 1.361 100 D HN 0.164 nan 8.370 nan 0.000 0.484 101 V N 2.303 122.303 119.914 0.142 0.000 2.448 101 V HA 0.408 4.528 4.120 0.000 0.000 0.295 101 V C -0.553 175.633 176.094 0.153 0.000 1.025 101 V CA -0.957 61.417 62.300 0.124 0.000 0.859 101 V CB 1.615 33.528 31.823 0.151 0.000 0.988 101 V HN 0.387 nan 8.190 nan 0.000 0.431 102 F N 4.705 124.649 119.950 -0.010 0.000 2.436 102 F HA 0.772 5.298 4.527 -0.000 0.000 0.340 102 F C -0.337 175.487 175.800 0.039 0.000 1.113 102 F CA -0.406 57.605 58.000 0.017 0.000 1.022 102 F CB 1.618 40.626 39.000 0.014 0.000 1.128 102 F HN 0.286 nan 8.300 nan 0.000 0.466 103 V N 5.693 125.326 119.914 -0.469 0.000 2.540 103 V HA 0.479 4.599 4.120 0.000 0.000 0.302 103 V C -0.991 174.896 176.094 -0.345 0.000 1.035 103 V CA -0.680 61.471 62.300 -0.249 0.000 0.873 103 V CB 1.693 33.421 31.823 -0.158 0.000 0.992 103 V HN 0.788 nan 8.190 nan 0.000 0.428 104 E N 5.057 125.212 120.200 -0.076 0.000 2.390 104 E HA 0.596 4.946 4.350 0.000 0.000 0.277 104 E C -3.210 173.424 176.600 0.056 0.000 0.939 104 E CA -2.249 54.154 56.400 0.006 0.000 0.769 104 E CB 3.023 32.837 29.700 0.190 0.000 1.251 104 E HN 0.387 nan 8.360 nan 0.000 0.450 105 P HA 0.217 nan 4.420 nan 0.000 0.284 105 P C -0.622 176.766 177.300 0.147 0.000 1.253 105 P CA -0.542 62.605 63.100 0.079 0.000 0.800 105 P CB 1.269 33.002 31.700 0.054 0.000 0.961 106 V N 2.878 122.898 119.914 0.176 0.000 2.482 106 V HA 0.551 4.671 4.120 0.000 0.000 0.295 106 V C 0.097 176.371 176.094 0.300 0.000 1.026 106 V CA -0.119 62.350 62.300 0.282 0.000 0.856 106 V CB 1.414 33.416 31.823 0.298 0.000 1.001 106 V HN 0.910 nan 8.190 nan 0.000 0.424 107 S N 2.807 118.724 115.700 0.361 0.000 2.643 107 S HA 0.415 4.885 4.470 0.000 0.000 0.270 107 S C 0.302 175.049 174.600 0.246 0.000 1.166 107 S CA -0.778 57.571 58.200 0.249 0.000 0.815 107 S CB 1.843 65.088 63.200 0.075 0.000 1.139 107 S HN 0.441 nan 8.310 nan 0.000 0.472 108 Q N 0.741 120.369 119.800 -0.286 0.000 2.133 108 Q HA -0.161 4.179 4.340 0.000 0.000 0.208 108 Q C 1.872 177.892 176.000 0.033 0.000 0.991 108 Q CA 2.103 57.721 55.803 -0.310 0.000 0.867 108 Q CB -0.305 28.076 28.738 -0.595 0.000 0.911 108 Q HN 0.696 nan 8.270 nan 0.000 0.417 109 K N -0.473 119.936 120.400 0.014 0.000 2.097 109 K HA -0.102 4.218 4.320 0.000 0.000 0.205 109 K C 1.775 178.443 176.600 0.113 0.000 1.050 109 K CA 1.604 57.920 56.287 0.050 0.000 0.938 109 K CB 0.192 32.703 32.500 0.019 0.000 0.718 109 K HN 0.237 nan 8.250 nan 0.000 0.442 110 T N -0.610 114.045 114.554 0.169 0.000 2.976 110 T HA 0.002 4.352 4.350 0.000 0.000 0.257 110 T C 0.249 175.103 174.700 0.257 0.000 1.051 110 T CA 0.422 62.628 62.100 0.176 0.000 1.141 110 T CB 0.097 69.071 68.868 0.177 0.000 0.881 110 T HN 0.027 nan 8.240 nan 0.000 0.461 111 F N 2.522 122.609 119.950 0.228 0.000 2.710 111 F HA 0.431 4.959 4.527 0.001 0.000 0.345 111 F C -2.673 173.370 175.800 0.406 0.000 1.362 111 F CA -3.609 54.533 58.000 0.238 0.000 1.175 111 F CB 1.784 40.894 39.000 0.184 0.000 1.561 111 F HN -0.088 nan 8.300 nan 0.000 0.593 112 P HA -0.079 nan 4.420 nan 0.000 0.226 112 P C 0.783 178.390 177.300 0.512 0.000 1.153 112 P CA 1.162 64.581 63.100 0.533 0.000 0.777 112 P CB 0.385 32.255 31.700 0.283 0.000 0.794 113 Q N -1.614 118.388 119.800 0.337 0.000 2.408 113 Q HA 0.096 4.436 4.340 0.000 0.000 0.205 113 Q C 1.715 177.518 176.000 -0.328 0.000 0.919 113 Q CA 0.039 55.898 55.803 0.094 0.000 0.932 113 Q CB -0.834 28.006 28.738 0.171 0.000 1.058 113 Q HN 0.086 nan 8.270 nan 0.000 0.517 114 L N 0.481 121.190 121.223 -0.856 0.000 2.051 114 L HA -0.167 4.173 4.340 0.000 0.000 0.214 114 L C 1.882 178.039 176.870 -1.188 0.000 1.076 114 L CA 2.403 56.374 54.840 -1.447 0.000 0.758 114 L CB -1.065 39.767 42.059 -2.046 0.000 0.890 114 L HN 0.299 nan 8.230 nan 0.000 0.433 115 G N -1.270 106.665 108.800 -1.441 0.000 2.459 115 G HA2 -0.315 3.645 3.960 0.000 0.000 0.217 115 G HA3 -0.315 3.645 3.960 0.000 0.000 0.217 115 G C 1.626 176.349 174.900 -0.295 0.000 1.183 115 G CA 1.114 45.837 45.100 -0.628 0.000 0.776 115 G HN 0.679 nan 8.290 nan 0.000 0.552 116 A N 0.631 123.334 122.820 -0.194 0.000 1.940 116 A HA -0.030 4.290 4.320 0.000 0.000 0.219 116 A C 2.422 179.933 177.584 -0.121 0.000 1.176 116 A CA 1.585 53.568 52.037 -0.090 0.000 0.631 116 A CB -0.377 18.614 19.000 -0.014 0.000 0.814 116 A HN 0.413 nan 8.150 nan 0.000 0.446 117 I N -1.076 119.358 120.570 -0.227 0.000 2.252 117 I HA -0.206 3.964 4.170 0.000 0.000 0.245 117 I C 2.660 178.601 176.117 -0.292 0.000 1.102 117 I CA 1.265 62.415 61.300 -0.251 0.000 1.385 117 I CB -0.334 37.463 38.000 -0.339 0.000 1.064 117 I HN 0.307 nan 8.210 nan 0.000 0.414 118 R N 1.307 121.602 120.500 -0.342 0.000 2.083 118 R HA -0.213 4.127 4.340 0.000 0.000 0.237 118 R C 1.577 177.771 176.300 -0.176 0.000 1.137 118 R CA 2.192 58.123 56.100 -0.281 0.000 0.951 118 R CB -0.537 29.592 30.300 -0.285 0.000 0.851 118 R HN 0.333 nan 8.270 nan 0.000 0.434 119 D N 0.722 121.041 120.400 -0.135 0.000 2.144 119 D HA -0.131 4.509 4.640 0.000 0.000 0.200 119 D C 1.524 177.790 176.300 -0.057 0.000 0.978 119 D CA 0.976 54.931 54.000 -0.076 0.000 0.833 119 D CB -0.364 40.407 40.800 -0.048 0.000 0.961 119 D HN 0.287 nan 8.370 nan 0.000 0.470 120 D N 0.449 120.814 120.400 -0.058 0.000 2.117 120 D HA -0.075 4.565 4.640 0.000 0.000 0.197 120 D C 2.306 178.580 176.300 -0.044 0.000 0.987 120 D CA 0.487 54.474 54.000 -0.022 0.000 0.829 120 D CB -0.058 40.745 40.800 0.005 0.000 0.961 120 D HN 0.294 nan 8.370 nan 0.000 0.460 121 I N 0.965 121.477 120.570 -0.097 0.000 2.315 121 I HA -0.181 3.989 4.170 0.000 0.000 0.248 121 I C 2.325 178.409 176.117 -0.055 0.000 1.117 121 I CA 0.871 62.119 61.300 -0.087 0.000 1.404 121 I CB -0.195 37.703 38.000 -0.169 0.000 1.071 121 I HN -0.058 nan 8.210 nan 0.000 0.419 122 E N 1.259 121.422 120.200 -0.062 0.000 2.017 122 E HA -0.176 4.174 4.350 0.000 0.000 0.193 122 E C 2.151 178.737 176.600 -0.023 0.000 0.997 122 E CA 1.348 57.723 56.400 -0.041 0.000 0.804 122 E CB -0.190 29.483 29.700 -0.044 0.000 0.757 122 E HN 0.470 nan 8.360 nan 0.000 0.448 123 A N 0.416 123.225 122.820 -0.020 0.000 2.255 123 A HA -0.094 4.226 4.320 0.000 0.000 0.206 123 A C 0.421 178.004 177.584 -0.001 0.000 1.193 123 A CA 0.406 52.438 52.037 -0.008 0.000 0.794 123 A CB 0.027 19.024 19.000 -0.005 0.000 0.794 123 A HN 0.223 nan 8.150 nan 0.000 0.481 124 Q N -1.720 118.079 119.800 -0.002 0.000 2.493 124 Q HA -0.182 4.158 4.340 0.000 0.000 0.260 124 Q C -0.274 175.734 176.000 0.014 0.000 0.873 124 Q CA 1.543 57.349 55.803 0.005 0.000 1.150 124 Q CB -1.980 26.761 28.738 0.006 0.000 1.393 124 Q HN 1.008 nan 8.270 nan 0.000 0.607 125 R N -0.299 120.213 120.500 0.020 0.000 2.393 125 R HA 0.703 5.043 4.340 0.000 0.000 0.310 125 R C -2.657 173.666 176.300 0.039 0.000 0.968 125 R CA -2.029 54.094 56.100 0.039 0.000 0.867 125 R CB 1.023 31.359 30.300 0.060 0.000 1.124 125 R HN -0.255 nan 8.270 nan 0.000 0.450 126 P HA 0.009 nan 4.420 nan 0.000 0.268 126 P C -0.929 176.341 177.300 -0.050 0.000 1.204 126 P CA -0.355 62.748 63.100 0.006 0.000 0.768 126 P CB 1.015 32.718 31.700 0.005 0.000 0.842 127 V N 2.097 121.961 119.914 -0.084 0.000 2.852 127 V HA 0.720 4.840 4.120 0.000 0.000 0.300 127 V C -1.538 174.513 176.094 -0.072 0.000 1.205 127 V CA -0.621 61.533 62.300 -0.243 0.000 0.940 127 V CB 1.883 33.524 31.823 -0.303 0.000 1.047 127 V HN 0.676 nan 8.190 nan 0.000 0.429 128 A N 5.476 128.216 122.820 -0.133 0.000 2.365 128 A HA 0.921 5.241 4.320 0.000 0.000 0.318 128 A C -1.195 176.356 177.584 -0.055 0.000 1.091 128 A CA -0.603 51.384 52.037 -0.083 0.000 0.763 128 A CB 2.098 21.015 19.000 -0.139 0.000 1.248 128 A HN 1.189 nan 8.150 nan 0.000 0.442 129 V N 1.327 121.233 119.914 -0.014 0.000 2.417 129 V HA 0.666 4.786 4.120 0.000 0.000 0.291 129 V C 0.383 176.404 176.094 -0.121 0.000 1.024 129 V CA -0.271 62.029 62.300 0.002 0.000 0.861 129 V CB 1.276 33.195 31.823 0.159 0.000 0.985 129 V HN 1.188 nan 8.190 nan 0.000 0.436 130 A N 3.559 126.304 122.820 -0.125 0.000 2.267 130 A HA 0.768 5.088 4.320 0.000 0.000 0.315 130 A C 0.054 177.544 177.584 -0.157 0.000 1.297 130 A CA -0.397 51.545 52.037 -0.159 0.000 0.865 130 A CB 0.678 19.599 19.000 -0.130 0.000 1.165 130 A HN 0.726 nan 8.150 nan 0.000 0.513 131 T N 2.029 116.483 114.554 -0.167 0.000 2.792 131 T HA 0.387 4.737 4.350 0.000 0.000 0.280 131 T C -0.091 174.476 174.700 -0.223 0.000 0.990 131 T CA -0.381 61.587 62.100 -0.220 0.000 0.960 131 T CB 1.418 70.109 68.868 -0.295 0.000 0.939 131 T HN 0.381 nan 8.240 nan 0.000 0.439 132 V N 5.349 125.155 119.914 -0.179 0.000 2.446 132 V HA 0.094 4.214 4.120 0.000 0.000 0.276 132 V C 1.519 177.537 176.094 -0.127 0.000 1.030 132 V CA 0.248 62.497 62.300 -0.084 0.000 1.033 132 V CB -0.295 31.520 31.823 -0.014 0.000 0.993 132 V HN 0.853 nan 8.190 nan 0.000 0.477 133 I N 2.846 123.368 120.570 -0.081 0.000 2.628 133 I HA 0.213 4.383 4.170 0.000 0.000 0.255 133 I C 0.710 176.972 176.117 0.241 0.000 1.119 133 I CA 0.431 61.740 61.300 0.015 0.000 1.448 133 I CB 0.201 38.192 38.000 -0.015 0.000 1.133 133 I HN 0.604 nan 8.210 nan 0.000 0.438 134 T N 0.155 114.822 114.554 0.188 0.000 2.881 134 T HA 0.526 4.876 4.350 0.000 0.000 0.290 134 T C -0.922 173.937 174.700 0.265 0.000 1.000 134 T CA -0.458 61.762 62.100 0.201 0.000 0.978 134 T CB 1.937 70.890 68.868 0.141 0.000 0.997 134 T HN 0.401 nan 8.240 nan 0.000 0.443 135 H N 2.066 121.216 119.070 0.134 0.000 3.046 135 H HA 0.305 4.861 4.556 0.000 0.000 0.361 135 H C -2.360 172.987 175.328 0.031 0.000 1.235 135 H CA -2.013 54.102 56.048 0.113 0.000 1.146 135 H CB 2.569 32.462 29.762 0.217 0.000 1.859 135 H HN 0.317 nan 8.280 nan 0.000 0.548 136 P HA -0.109 nan 4.420 nan 0.000 0.215 136 P C 0.112 177.172 177.300 -0.400 0.000 1.157 136 P CA 1.037 63.858 63.100 -0.464 0.000 0.863 136 P CB -0.021 31.353 31.700 -0.543 0.000 0.787 137 D N -0.730 119.299 120.400 -0.618 0.000 2.371 137 D HA 0.134 4.774 4.640 0.000 0.000 0.256 137 D C 1.050 177.398 176.300 0.079 0.000 1.193 137 D CA 0.086 53.965 54.000 -0.201 0.000 0.881 137 D CB 1.170 41.808 40.800 -0.269 0.000 1.143 137 D HN -0.055 nan 8.370 nan 0.000 0.473 138 A N 4.353 127.212 122.820 0.065 0.000 2.014 138 A HA -0.148 4.172 4.320 0.000 0.000 0.218 138 A C 1.836 179.535 177.584 0.192 0.000 1.163 138 A CA 0.904 53.016 52.037 0.125 0.000 0.652 138 A CB -0.287 18.755 19.000 0.070 0.000 0.808 138 A HN 0.727 nan 8.150 nan 0.000 0.449 139 Q N -2.017 117.901 119.800 0.196 0.000 2.500 139 Q HA -0.162 4.178 4.340 0.000 0.000 0.213 139 Q C 0.535 176.764 176.000 0.382 0.000 0.974 139 Q CA 0.566 56.513 55.803 0.239 0.000 0.918 139 Q CB -0.099 28.761 28.738 0.203 0.000 0.980 139 Q HN 0.887 nan 8.270 nan 0.000 0.505 140 W N 0.122 121.480 121.300 0.098 0.000 3.330 140 W HA 0.203 4.863 4.660 0.000 0.000 0.348 140 W C -0.042 176.504 176.519 0.044 0.000 1.205 140 W CA -0.556 56.809 57.345 0.034 0.000 1.841 140 W CB 0.632 30.076 29.460 -0.027 0.000 1.084 140 W HN -0.109 nan 8.180 nan 0.000 0.665 141 I N 1.069 121.812 120.570 0.289 0.000 2.331 141 I HA 0.331 4.501 4.170 0.000 0.000 0.292 141 I C 1.421 177.671 176.117 0.221 0.000 0.998 141 I CA 0.306 61.761 61.300 0.258 0.000 1.267 141 I CB 0.564 38.729 38.000 0.276 0.000 1.386 141 I HN 0.315 nan 8.210 nan 0.000 0.476 142 G N 6.264 115.183 108.800 0.199 0.000 2.225 142 G HA2 -0.253 3.708 3.960 0.000 0.000 0.254 142 G HA3 -0.253 3.708 3.960 0.000 0.000 0.254 142 G C 0.660 175.551 174.900 -0.016 0.000 0.988 142 G CA -0.400 44.805 45.100 0.174 0.000 0.625 142 G HN 0.571 nan 8.290 nan 0.000 0.527 143 R N 0.909 121.377 120.500 -0.052 0.000 2.640 143 R HA 0.427 4.767 4.340 0.000 0.000 0.270 143 R C 0.928 177.111 176.300 -0.195 0.000 1.024 143 R CA 0.883 56.895 56.100 -0.147 0.000 1.085 143 R CB 0.278 30.445 30.300 -0.223 0.000 0.963 143 R HN 0.714 nan 8.270 nan 0.000 0.426 144 R N 2.193 122.564 120.500 -0.214 0.000 2.739 144 R HA 0.464 4.804 4.340 0.000 0.000 0.271 144 R C -1.441 174.756 176.300 -0.172 0.000 1.010 144 R CA -0.873 55.098 56.100 -0.216 0.000 0.897 144 R CB 1.276 31.405 30.300 -0.286 0.000 1.236 144 R HN 0.375 nan 8.270 nan 0.000 0.466 145 L N 1.477 122.616 121.223 -0.141 0.000 2.330 145 L HA 0.613 4.954 4.340 0.000 0.000 0.271 145 L C -0.664 176.179 176.870 -0.045 0.000 1.013 145 L CA -1.473 53.312 54.840 -0.091 0.000 0.816 145 L CB 2.311 44.311 42.059 -0.099 0.000 1.287 145 L HN 0.367 nan 8.230 nan 0.000 0.435 146 V N 3.001 122.919 119.914 0.006 0.000 2.350 146 V HA 0.341 4.461 4.120 0.000 0.000 0.285 146 V C -0.217 175.900 176.094 0.038 0.000 1.014 146 V CA -0.551 61.769 62.300 0.034 0.000 0.831 146 V CB 1.904 33.792 31.823 0.109 0.000 1.000 146 V HN 0.398 nan 8.190 nan 0.000 0.433 147 V N 5.260 125.149 119.914 -0.042 0.000 2.398 147 V HA 0.535 4.655 4.120 0.000 0.000 0.286 147 V C -0.308 175.723 176.094 -0.106 0.000 1.026 147 V CA -0.623 61.667 62.300 -0.017 0.000 0.868 147 V CB 1.366 33.163 31.823 -0.042 0.000 0.982 147 V HN 0.904 nan 8.190 nan 0.000 0.443 148 H N 1.129 120.193 119.070 -0.009 0.000 2.713 148 H HA 0.389 4.945 4.556 -0.000 0.000 0.340 148 H C 1.433 176.756 175.328 -0.009 0.000 1.271 148 H CA 0.206 56.250 56.048 -0.006 0.000 1.306 148 H CB 1.286 31.045 29.762 -0.005 0.000 1.839 148 H HN 0.665 nan 8.280 nan 0.000 0.627 149 T N -2.136 112.501 114.554 0.138 0.000 2.788 149 T HA -0.181 4.169 4.350 0.000 0.000 0.268 149 T C 1.012 175.746 174.700 0.056 0.000 1.044 149 T CA 2.012 64.152 62.100 0.067 0.000 1.139 149 T CB -0.047 68.852 68.868 0.051 0.000 0.867 149 T HN 0.674 nan 8.240 nan 0.000 0.454 150 D N -0.074 120.365 120.400 0.065 0.000 2.563 150 D HA 0.168 4.808 4.640 0.000 0.000 0.237 150 D C -0.084 176.225 176.300 0.015 0.000 1.282 150 D CA -0.123 53.894 54.000 0.028 0.000 0.816 150 D CB 0.445 41.251 40.800 0.011 0.000 1.066 150 D HN 0.439 nan 8.370 nan 0.000 0.501 151 E N 0.189 120.415 120.200 0.043 0.000 2.401 151 E HA 0.330 4.680 4.350 0.000 0.000 0.280 151 E C -2.161 174.485 176.600 0.077 0.000 1.039 151 E CA -0.794 55.614 56.400 0.014 0.000 0.814 151 E CB 2.404 32.050 29.700 -0.090 0.000 1.275 151 E HN -0.077 nan 8.360 nan 0.000 0.448 152 V N 0.789 120.732 119.914 0.048 0.000 2.891 152 V HA 0.889 5.009 4.120 0.000 0.000 0.304 152 V C -1.784 174.333 176.094 0.038 0.000 1.171 152 V CA 0.203 62.541 62.300 0.063 0.000 0.943 152 V CB 1.614 33.451 31.823 0.022 0.000 1.037 152 V HN 0.857 nan 8.190 nan 0.000 0.427 153 A N 4.142 126.993 122.820 0.052 0.000 2.374 153 A HA 1.058 5.378 4.320 0.000 0.000 0.317 153 A C 0.316 177.904 177.584 0.006 0.000 1.094 153 A CA 0.005 52.061 52.037 0.032 0.000 0.765 153 A CB 1.395 20.432 19.000 0.061 0.000 1.268 153 A HN 2.833 nan 8.150 nan 0.000 0.438 154 G N -0.438 108.355 108.800 -0.011 0.000 2.707 154 G HA2 0.380 4.340 3.960 0.000 0.000 0.686 154 G HA3 0.380 4.340 3.960 0.000 0.000 0.686 154 G C -0.239 174.613 174.900 -0.079 0.000 1.315 154 G CA 0.024 45.099 45.100 -0.042 0.000 0.832 154 G HN 2.031 nan 8.290 nan 0.000 0.573 155 S N -1.234 114.397 115.700 -0.114 0.000 2.541 155 S HA 0.658 5.128 4.470 0.000 0.000 0.280 155 S C 0.992 175.441 174.600 -0.253 0.000 1.112 155 S CA -0.476 57.628 58.200 -0.160 0.000 0.925 155 S CB 1.480 64.601 63.200 -0.132 0.000 1.067 155 S HN 0.954 nan 8.310 nan 0.000 0.479 156 L N 3.525 124.545 121.223 -0.338 0.000 2.591 156 L HA 0.298 4.638 4.340 0.000 0.000 0.228 156 L C 1.750 178.102 176.870 -0.863 0.000 1.133 156 L CA 0.669 55.175 54.840 -0.556 0.000 0.880 156 L CB -0.289 41.438 42.059 -0.552 0.000 1.033 156 L HN 1.085 nan 8.230 nan 0.000 0.450 157 G N -0.093 108.387 108.800 -0.532 0.000 2.176 157 G HA2 -0.249 3.711 3.960 0.000 0.000 0.232 157 G HA3 -0.249 3.711 3.960 0.000 0.000 0.232 157 G C 0.224 175.035 174.900 -0.149 0.000 0.986 157 G CA 0.184 45.052 45.100 -0.387 0.000 0.643 157 G HN 0.373 nan 8.290 nan 0.000 0.522 158 S N -0.918 114.666 115.700 -0.193 0.000 2.572 158 S HA 0.673 5.143 4.470 0.000 0.000 0.274 158 S C 1.052 175.611 174.600 -0.069 0.000 1.150 158 S CA 0.933 59.117 58.200 -0.026 0.000 0.944 158 S CB 1.485 64.756 63.200 0.119 0.000 1.071 158 S HN 1.288 nan 8.310 nan 0.000 0.479 159 S N 3.233 118.914 115.700 -0.031 0.000 2.383 159 S HA -0.125 4.345 4.470 0.000 0.000 0.229 159 S C 1.820 176.392 174.600 -0.047 0.000 1.030 159 S CA 1.721 59.897 58.200 -0.040 0.000 1.002 159 S CB -0.381 62.808 63.200 -0.018 0.000 0.829 159 S HN 0.765 nan 8.310 nan 0.000 0.467 160 R N 0.007 120.490 120.500 -0.030 0.000 2.093 160 R HA 0.133 4.473 4.340 0.000 0.000 0.224 160 R C 2.489 178.740 176.300 -0.083 0.000 1.101 160 R CA 1.003 57.082 56.100 -0.035 0.000 0.979 160 R CB -0.564 29.736 30.300 -0.001 0.000 0.877 160 R HN 0.478 nan 8.270 nan 0.000 0.441 161 A N 1.632 124.395 122.820 -0.096 0.000 1.851 161 A HA -0.210 4.110 4.320 0.000 0.000 0.216 161 A C 1.604 179.043 177.584 -0.241 0.000 1.195 161 A CA 1.951 53.872 52.037 -0.192 0.000 0.622 161 A CB -0.722 18.159 19.000 -0.197 0.000 0.831 161 A HN 0.347 nan 8.150 nan 0.000 0.444 162 D N 0.230 120.511 120.400 -0.199 0.000 2.133 162 D HA -0.178 4.462 4.640 0.000 0.000 0.192 162 D C 2.199 178.416 176.300 -0.139 0.000 1.001 162 D CA 1.845 55.742 54.000 -0.172 0.000 0.844 162 D CB -0.653 40.065 40.800 -0.138 0.000 0.944 162 D HN 0.454 nan 8.370 nan 0.000 0.447 163 A N 0.951 123.704 122.820 -0.112 0.000 1.902 163 A HA -0.051 4.269 4.320 0.000 0.000 0.217 163 A C 2.326 179.859 177.584 -0.084 0.000 1.181 163 A CA 2.568 54.557 52.037 -0.079 0.000 0.623 163 A CB -0.690 18.277 19.000 -0.055 0.000 0.818 163 A HN 0.276 nan 8.150 nan 0.000 0.443 164 A N -0.822 121.921 122.820 -0.128 0.000 1.898 164 A HA 0.128 4.448 4.320 0.000 0.000 0.214 164 A C 2.200 179.705 177.584 -0.132 0.000 1.183 164 A CA 1.405 53.372 52.037 -0.117 0.000 0.622 164 A CB -0.875 18.031 19.000 -0.158 0.000 0.824 164 A HN 0.352 nan 8.150 nan 0.000 0.444 165 V N -0.384 119.371 119.914 -0.266 0.000 2.282 165 V HA -0.265 3.855 4.120 0.000 0.000 0.249 165 V C 2.801 178.854 176.094 -0.068 0.000 1.057 165 V CA 2.605 64.800 62.300 -0.175 0.000 1.032 165 V CB -1.148 30.541 31.823 -0.223 0.000 0.645 165 V HN 0.677 nan 8.190 nan 0.000 0.447 166 T N -0.917 113.589 114.554 -0.079 0.000 2.746 166 T HA -0.208 4.142 4.350 0.000 0.000 0.267 166 T C 1.629 176.315 174.700 -0.024 0.000 1.039 166 T CA 1.915 63.985 62.100 -0.049 0.000 1.142 166 T CB -0.370 68.470 68.868 -0.047 0.000 0.866 166 T HN 0.546 nan 8.240 nan 0.000 0.444 167 D N 1.031 121.423 120.400 -0.014 0.000 2.097 167 D HA -0.064 4.576 4.640 0.000 0.000 0.197 167 D C 1.946 178.253 176.300 0.012 0.000 0.984 167 D CA 1.218 55.219 54.000 0.002 0.000 0.826 167 D CB -0.533 40.272 40.800 0.009 0.000 0.973 167 D HN 0.453 nan 8.370 nan 0.000 0.460 168 D N 0.635 121.056 120.400 0.035 0.000 2.144 168 D HA -0.094 4.546 4.640 0.000 0.000 0.199 168 D C 1.967 178.275 176.300 0.013 0.000 0.984 168 D CA 1.313 55.343 54.000 0.050 0.000 0.834 168 D CB -0.327 40.553 40.800 0.134 0.000 0.955 168 D HN 0.160 nan 8.370 nan 0.000 0.465 169 A N 0.619 123.437 122.820 -0.003 0.000 1.898 169 A HA -0.129 4.191 4.320 0.000 0.000 0.216 169 A C 2.165 179.722 177.584 -0.045 0.000 1.181 169 A CA 1.017 53.028 52.037 -0.043 0.000 0.620 169 A CB -0.304 18.660 19.000 -0.061 0.000 0.819 169 A HN 0.058 nan 8.150 nan 0.000 0.442 170 R N -0.897 119.587 120.500 -0.028 0.000 2.081 170 R HA -0.112 4.228 4.340 0.000 0.000 0.235 170 R C 2.399 178.688 176.300 -0.018 0.000 1.131 170 R CA 1.206 57.293 56.100 -0.021 0.000 0.960 170 R CB -0.617 29.679 30.300 -0.007 0.000 0.856 170 R HN 0.540 nan 8.270 nan 0.000 0.436 171 G N 1.023 109.816 108.800 -0.011 0.000 2.418 171 G HA2 -0.239 3.721 3.960 0.000 0.000 0.217 171 G HA3 -0.239 3.721 3.960 0.000 0.000 0.217 171 G C 1.312 176.202 174.900 -0.018 0.000 1.158 171 G CA 0.261 45.356 45.100 -0.008 0.000 0.771 171 G HN 0.101 nan 8.290 nan 0.000 0.545 172 L N 0.072 121.277 121.223 -0.030 0.000 2.046 172 L HA 0.045 4.385 4.340 0.000 0.000 0.208 172 L C 2.620 179.453 176.870 -0.061 0.000 1.077 172 L CA 1.273 56.085 54.840 -0.047 0.000 0.747 172 L CB -0.585 41.435 42.059 -0.066 0.000 0.896 172 L HN 0.259 nan 8.230 nan 0.000 0.432 173 L N -0.712 120.471 121.223 -0.067 0.000 2.191 173 L HA -0.087 4.253 4.340 0.000 0.000 0.212 173 L C 2.411 179.253 176.870 -0.047 0.000 1.103 173 L CA 1.838 56.634 54.840 -0.073 0.000 0.769 173 L CB -0.799 41.217 42.059 -0.071 0.000 0.908 173 L HN 0.205 nan 8.230 nan 0.000 0.438 174 A N -0.376 122.428 122.820 -0.028 0.000 1.933 174 A HA -0.041 4.279 4.320 0.000 0.000 0.218 174 A C 2.328 179.907 177.584 -0.009 0.000 1.175 174 A CA 1.557 53.588 52.037 -0.010 0.000 0.628 174 A CB -0.954 18.047 19.000 0.001 0.000 0.814 174 A HN 0.554 nan 8.150 nan 0.000 0.444 175 A N -2.105 120.706 122.820 -0.016 0.000 2.218 175 A HA 0.415 4.735 4.320 0.000 0.000 0.209 175 A C 1.863 179.424 177.584 -0.038 0.000 1.168 175 A CA 1.191 53.221 52.037 -0.012 0.000 0.804 175 A CB -0.819 18.180 19.000 -0.003 0.000 0.834 175 A HN 1.862 nan 8.150 nan 0.000 0.482 176 G N -0.619 108.147 108.800 -0.057 0.000 2.155 176 G HA2 -0.272 3.688 3.960 0.000 0.000 0.257 176 G HA3 -0.272 3.688 3.960 0.000 0.000 0.257 176 G C 0.336 175.178 174.900 -0.097 0.000 0.983 176 G CA 0.410 45.460 45.100 -0.084 0.000 0.676 176 G HN 0.596 nan 8.290 nan 0.000 0.528 177 R N 0.245 120.697 120.500 -0.081 0.000 2.459 177 R HA 0.597 4.937 4.340 0.000 0.000 0.281 177 R C 0.151 176.383 176.300 -0.112 0.000 1.050 177 R CA 0.355 56.410 56.100 -0.075 0.000 1.055 177 R CB 1.558 31.833 30.300 -0.040 0.000 1.045 177 R HN 0.353 nan 8.270 nan 0.000 0.495 178 S N 0.873 116.514 115.700 -0.098 0.000 2.536 178 S HA 0.511 4.981 4.470 0.000 0.000 0.298 178 S C -0.804 173.785 174.600 -0.018 0.000 1.083 178 S CA -0.530 57.587 58.200 -0.139 0.000 0.995 178 S CB 1.925 65.043 63.200 -0.136 0.000 1.058 178 S HN 0.694 nan 8.310 nan 0.000 0.488 179 E N 0.987 121.179 120.200 -0.013 0.000 2.435 179 E HA 0.509 4.859 4.350 0.000 0.000 0.277 179 E C -2.035 174.683 176.600 0.195 0.000 1.106 179 E CA -0.765 55.696 56.400 0.101 0.000 0.868 179 E CB 1.613 31.322 29.700 0.015 0.000 1.454 179 E HN 0.507 nan 8.360 nan 0.000 0.452 180 V N 2.186 122.200 119.914 0.166 0.000 2.487 180 V HA 0.491 4.611 4.120 0.000 0.000 0.298 180 V C -0.571 175.549 176.094 0.043 0.000 1.028 180 V CA -0.627 61.771 62.300 0.162 0.000 0.860 180 V CB 1.219 33.127 31.823 0.142 0.000 0.991 180 V HN 0.434 nan 8.190 nan 0.000 0.427 181 L N 4.214 125.447 121.223 0.017 0.000 2.334 181 L HA 0.756 5.096 4.340 0.000 0.000 0.276 181 L C 0.245 177.009 176.870 -0.176 0.000 1.014 181 L CA -0.470 54.301 54.840 -0.114 0.000 0.815 181 L CB 2.335 44.334 42.059 -0.100 0.000 1.268 181 L HN 0.746 nan 8.230 nan 0.000 0.428 182 T N -1.610 112.727 114.554 -0.361 0.000 2.823 182 T HA 0.742 5.092 4.350 0.000 0.000 0.279 182 T C -0.819 173.571 174.700 -0.516 0.000 0.998 182 T CA -0.639 61.303 62.100 -0.262 0.000 0.994 182 T CB 1.318 70.110 68.868 -0.126 0.000 0.960 182 T HN 0.341 nan 8.240 nan 0.000 0.448 183 Y N -0.196 120.138 120.300 0.058 0.000 2.689 183 Y HA 0.672 5.222 4.550 -0.000 0.000 0.333 183 Y C 0.704 176.653 175.900 0.082 0.000 1.190 183 Y CA -1.357 56.781 58.100 0.063 0.000 1.063 183 Y CB 1.432 39.933 38.460 0.068 0.000 1.294 183 Y HN 1.043 nan 8.280 nan 0.000 0.466 184 G N 0.536 109.497 108.800 0.269 0.000 2.420 184 G HA2 0.410 4.370 3.960 0.000 0.000 0.284 184 G HA3 0.410 4.370 3.960 0.000 0.000 0.284 184 G C -2.084 172.942 174.900 0.210 0.000 1.177 184 G CA -1.564 43.644 45.100 0.179 0.000 0.841 184 G HN 0.411 nan 8.290 nan 0.000 0.527 185 P HA -0.264 nan 4.420 nan 0.000 0.236 185 P C 0.679 178.154 177.300 0.292 0.000 1.136 185 P CA 1.983 65.211 63.100 0.214 0.000 0.948 185 P CB 0.343 32.063 31.700 0.033 0.000 0.766 186 D N -2.984 117.534 120.400 0.196 0.000 2.895 186 D HA 0.216 4.856 4.640 0.000 0.000 0.350 186 D C 0.549 176.938 176.300 0.147 0.000 1.389 186 D CA 0.187 54.314 54.000 0.212 0.000 0.812 186 D CB -0.396 40.488 40.800 0.141 0.000 1.164 186 D HN 0.210 nan 8.370 nan 0.000 0.455 187 G N 2.425 111.303 108.800 0.129 0.000 2.171 187 G HA2 -0.228 3.732 3.960 0.000 0.000 0.238 187 G HA3 -0.228 3.732 3.960 0.000 0.000 0.238 187 G C -0.036 174.901 174.900 0.061 0.000 1.039 187 G CA 0.058 45.151 45.100 -0.012 0.000 0.759 187 G HN 0.441 nan 8.290 nan 0.000 0.501 188 Q N 0.711 120.604 119.800 0.156 0.000 2.314 188 Q HA 0.502 4.842 4.340 0.000 0.000 0.259 188 Q C 0.331 176.459 176.000 0.214 0.000 0.951 188 Q CA -0.763 55.129 55.803 0.148 0.000 0.909 188 Q CB 1.396 30.192 28.738 0.098 0.000 1.236 188 Q HN 0.560 nan 8.270 nan 0.000 0.444 189 R N 2.279 122.902 120.500 0.205 0.000 2.623 189 R HA 0.137 4.477 4.340 0.000 0.000 0.271 189 R C 0.161 176.503 176.300 0.071 0.000 1.043 189 R CA -0.448 55.754 56.100 0.170 0.000 1.083 189 R CB 0.303 30.681 30.300 0.131 0.000 0.974 189 R HN 0.630 nan 8.270 nan 0.000 0.436 190 R N -1.055 119.452 120.500 0.012 0.000 3.963 190 R HA -0.135 4.205 4.340 0.000 0.000 0.394 190 R C 0.473 176.781 176.300 0.014 0.000 1.131 190 R CA 1.180 57.275 56.100 -0.008 0.000 1.059 190 R CB -2.269 28.030 30.300 -0.002 0.000 1.614 190 R HN 0.989 nan 8.270 nan 0.000 0.546 191 G N 0.242 109.070 108.800 0.046 0.000 2.535 191 G HA2 0.465 4.425 3.960 0.000 0.000 0.282 191 G HA3 0.465 4.425 3.960 0.000 0.000 0.282 191 G C -0.200 174.729 174.900 0.049 0.000 1.350 191 G CA 0.200 45.335 45.100 0.059 0.000 1.039 191 G HN 0.214 nan 8.290 nan 0.000 0.509 192 E N -2.038 118.195 120.200 0.056 0.000 2.423 192 E HA 0.534 4.884 4.350 0.000 0.000 0.280 192 E C -0.381 176.254 176.600 0.058 0.000 1.030 192 E CA -0.099 56.330 56.400 0.048 0.000 0.812 192 E CB 1.563 31.276 29.700 0.021 0.000 1.313 192 E HN 1.857 nan 8.360 nan 0.000 0.456 196 V N 2.881 122.880 119.914 0.141 0.000 2.733 196 V HA 0.636 4.756 4.120 0.000 0.000 0.306 196 V C -1.705 174.456 176.094 0.111 0.000 1.084 196 V CA -0.660 61.699 62.300 0.098 0.000 0.905 196 V CB 1.327 33.207 31.823 0.096 0.000 1.010 196 V HN 0.633 nan 8.190 nan 0.000 0.424 197 F N 6.971 126.864 119.950 -0.096 0.000 2.404 197 F HA 0.748 5.274 4.527 -0.001 0.000 0.345 197 F C -0.380 175.370 175.800 -0.083 0.000 1.110 197 F CA -0.469 57.477 58.000 -0.089 0.000 1.130 197 F CB 1.641 40.571 39.000 -0.117 0.000 1.129 197 F HN 0.381 nan 8.300 nan 0.000 0.500 198 V N 5.755 125.193 119.914 -0.793 0.000 2.350 198 V HA 0.325 4.445 4.120 0.000 0.000 0.285 198 V C -0.677 174.742 176.094 -1.126 0.000 1.014 198 V CA -0.693 61.166 62.300 -0.736 0.000 0.831 198 V CB 1.211 32.825 31.823 -0.348 0.000 1.000 198 V HN 0.859 nan 8.190 nan 0.000 0.433 199 S N 3.189 118.289 115.700 -1.000 0.000 2.422 199 S HA 0.620 5.090 4.470 0.000 0.000 0.308 199 S C -0.133 174.060 174.600 -0.677 0.000 1.097 199 S CA -0.592 57.142 58.200 -0.778 0.000 1.099 199 S CB 1.311 64.219 63.200 -0.486 0.000 0.976 199 S HN 0.526 nan 8.310 nan 0.000 0.471 200 S N 2.402 117.718 115.700 -0.640 0.000 2.508 200 S HA 0.459 4.929 4.470 0.000 0.000 0.284 200 S C -1.149 173.047 174.600 -0.673 0.000 1.192 200 S CA -0.608 57.295 58.200 -0.496 0.000 1.070 200 S CB 0.136 63.166 63.200 -0.282 0.000 1.004 200 S HN 0.725 nan 8.310 nan 0.000 0.493 201 Y N 1.142 121.379 120.300 -0.105 0.000 2.747 201 Y HA 0.520 5.070 4.550 -0.001 0.000 0.362 201 Y C 0.410 176.262 175.900 -0.081 0.000 1.026 201 Y CA -0.776 57.272 58.100 -0.087 0.000 1.135 201 Y CB 0.163 38.570 38.460 -0.090 0.000 1.175 201 Y HN 0.733 nan 8.280 nan 0.000 0.643 202 A N 3.185 126.003 122.820 -0.003 0.000 2.310 202 A HA 0.693 5.013 4.320 0.000 0.000 0.299 202 A C -2.153 175.426 177.584 -0.009 0.000 1.147 202 A CA -1.567 50.462 52.037 -0.014 0.000 0.818 202 A CB 0.238 19.211 19.000 -0.045 0.000 1.096 202 A HN 0.334 nan 8.150 nan 0.000 0.495 203 P HA 0.165 nan 4.420 nan 0.000 0.272 203 P C -0.526 176.754 177.300 -0.032 0.000 1.230 203 P CA -0.338 62.756 63.100 -0.008 0.000 0.788 203 P CB 0.469 32.169 31.700 0.001 0.000 0.949 204 R N 1.901 122.378 120.500 -0.038 0.000 2.502 204 R HA 0.119 4.459 4.340 0.000 0.000 0.292 204 R C -1.632 174.631 176.300 -0.061 0.000 0.998 204 R CA -0.819 55.239 56.100 -0.071 0.000 1.056 204 R CB -0.534 29.732 30.300 -0.056 0.000 0.939 204 R HN 0.459 nan 8.270 nan 0.000 0.411 205 P HA 0.055 nan 4.420 nan 0.000 0.274 205 P C -0.784 176.577 177.300 0.102 0.000 1.231 205 P CA -0.121 62.947 63.100 -0.053 0.000 0.790 205 P CB 0.687 32.269 31.700 -0.196 0.000 0.951 209 V N 2.887 122.488 119.914 -0.521 0.000 2.347 209 V HA 0.487 4.607 4.120 0.000 0.000 0.280 209 V C -0.442 175.337 176.094 -0.524 0.000 1.021 209 V CA -0.174 61.899 62.300 -0.377 0.000 0.847 209 V CB 1.355 33.009 31.823 -0.282 0.000 0.990 209 V HN 0.348 nan 8.190 nan 0.000 0.444 210 F N 2.666 122.592 119.950 -0.041 0.000 2.415 210 F HA 0.786 5.314 4.527 0.002 0.000 0.348 210 F C 0.793 176.588 175.800 -0.009 0.000 1.119 210 F CA -0.245 57.729 58.000 -0.043 0.000 1.069 210 F CB 1.783 40.784 39.000 0.002 0.000 1.124 210 F HN 0.760 nan 8.300 nan 0.000 0.472 211 G N 1.666 110.546 108.800 0.133 0.000 3.367 211 G HA2 0.275 4.235 3.960 0.000 0.000 0.686 211 G HA3 0.275 4.235 3.960 0.000 0.000 0.686 211 G C -0.249 174.691 174.900 0.067 0.000 1.146 211 G CA -0.585 44.591 45.100 0.126 0.000 0.913 211 G HN 1.110 nan 8.290 nan 0.000 0.554 212 A N 3.433 126.318 122.820 0.110 0.000 2.462 212 A HA 0.592 4.912 4.320 0.000 0.000 0.261 212 A C 1.416 179.146 177.584 0.244 0.000 1.323 212 A CA 0.435 52.551 52.037 0.132 0.000 0.913 212 A CB -0.676 18.455 19.000 0.220 0.000 1.028 212 A HN 1.792 nan 8.150 nan 0.000 0.511 213 I N -3.042 117.621 120.570 0.153 0.000 2.892 213 I HA 0.111 4.281 4.170 0.000 0.000 0.287 213 I C 0.427 176.586 176.117 0.070 0.000 1.205 213 I CA -0.343 60.968 61.300 0.018 0.000 1.409 213 I CB 0.272 38.339 38.000 0.112 0.000 1.367 213 I HN 0.055 nan 8.210 nan 0.000 0.597 214 D N 3.218 123.556 120.400 -0.103 0.000 2.149 214 D HA -0.239 4.401 4.640 0.000 0.000 0.198 214 D C 1.560 177.900 176.300 0.067 0.000 0.990 214 D CA 1.520 55.467 54.000 -0.089 0.000 0.839 214 D CB -0.368 40.337 40.800 -0.159 0.000 0.948 214 D HN 0.738 nan 8.370 nan 0.000 0.460 215 F N 1.742 121.678 119.950 -0.024 0.000 2.184 215 F HA -0.257 4.270 4.527 0.001 0.000 0.301 215 F C 2.150 177.980 175.800 0.048 0.000 1.076 215 F CA 1.350 59.354 58.000 0.006 0.000 1.295 215 F CB -0.266 38.737 39.000 0.005 0.000 1.026 215 F HN -0.023 nan 8.300 nan 0.000 0.494 216 A N 0.671 123.485 122.820 -0.010 0.000 1.986 216 A HA -0.130 4.190 4.320 0.000 0.000 0.220 216 A C 2.480 180.008 177.584 -0.093 0.000 1.171 216 A CA 1.800 53.771 52.037 -0.109 0.000 0.640 216 A CB -1.599 17.391 19.000 -0.018 0.000 0.811 216 A HN 0.583 nan 8.150 nan 0.000 0.451 217 A N -0.227 122.667 122.820 0.123 0.000 1.986 217 A HA 0.078 4.399 4.320 0.000 0.000 0.220 217 A C 2.460 180.001 177.584 -0.072 0.000 1.171 217 A CA 2.244 54.355 52.037 0.124 0.000 0.640 217 A CB -0.907 18.107 19.000 0.023 0.000 0.811 217 A HN 1.061 nan 8.150 nan 0.000 0.451 218 A N -0.596 122.091 122.820 -0.222 0.000 1.841 218 A HA 0.033 4.353 4.320 0.000 0.000 0.214 218 A C 2.211 179.634 177.584 -0.267 0.000 1.195 218 A CA 1.688 53.569 52.037 -0.259 0.000 0.611 218 A CB -1.070 17.721 19.000 -0.348 0.000 0.835 218 A HN 0.435 nan 8.150 nan 0.000 0.443 219 V N 0.248 119.919 119.914 -0.406 0.000 2.332 219 V HA -0.303 3.817 4.120 0.000 0.000 0.248 219 V C 3.057 179.046 176.094 -0.176 0.000 1.055 219 V CA 2.074 64.204 62.300 -0.284 0.000 1.038 219 V CB -1.424 30.217 31.823 -0.304 0.000 0.651 219 V HN 0.623 nan 8.190 nan 0.000 0.450 220 A N -0.821 121.904 122.820 -0.160 0.000 1.908 220 A HA -0.325 3.995 4.320 0.000 0.000 0.218 220 A C 2.191 179.748 177.584 -0.045 0.000 1.181 220 A CA 2.179 54.157 52.037 -0.098 0.000 0.627 220 A CB -0.509 18.448 19.000 -0.070 0.000 0.818 220 A HN 0.644 nan 8.150 nan 0.000 0.445 221 Q N -1.205 118.567 119.800 -0.046 0.000 2.167 221 Q HA -0.147 4.193 4.340 0.000 0.000 0.202 221 Q C 2.287 178.299 176.000 0.020 0.000 0.970 221 Q CA 1.220 57.015 55.803 -0.013 0.000 0.855 221 Q CB -0.092 28.621 28.738 -0.041 0.000 0.911 221 Q HN 0.604 nan 8.270 nan 0.000 0.438 222 Q N -0.497 119.293 119.800 -0.016 0.000 2.123 222 Q HA -0.075 4.265 4.340 0.000 0.000 0.199 222 Q C 2.139 178.203 176.000 0.107 0.000 0.966 222 Q CA 1.440 57.262 55.803 0.032 0.000 0.845 222 Q CB -0.378 28.338 28.738 -0.037 0.000 0.907 222 Q HN 0.480 nan 8.270 nan 0.000 0.439 223 G N 1.004 109.827 108.800 0.038 0.000 2.459 223 G HA2 -0.243 3.717 3.960 0.000 0.000 0.217 223 G HA3 -0.243 3.717 3.960 0.000 0.000 0.217 223 G C 1.574 176.580 174.900 0.178 0.000 1.183 223 G CA 1.543 46.690 45.100 0.077 0.000 0.776 223 G HN 0.457 nan 8.290 nan 0.000 0.552 224 A N 0.555 123.448 122.820 0.122 0.000 1.873 224 A HA -0.096 4.224 4.320 0.000 0.000 0.218 224 A C 2.236 179.900 177.584 0.133 0.000 1.193 224 A CA 1.927 54.031 52.037 0.112 0.000 0.629 224 A CB -0.811 18.242 19.000 0.088 0.000 0.826 224 A HN 0.475 nan 8.150 nan 0.000 0.447 225 F N 0.176 120.137 119.950 0.019 0.000 2.192 225 F HA -0.110 4.416 4.527 -0.002 0.000 0.301 225 F C 1.649 177.463 175.800 0.024 0.000 1.079 225 F CA 1.596 59.603 58.000 0.012 0.000 1.303 225 F CB -0.101 38.898 39.000 -0.001 0.000 1.024 225 F HN 0.133 nan 8.300 nan 0.000 0.494 226 L N -0.677 120.613 121.223 0.112 0.000 2.591 226 L HA 0.217 4.557 4.340 0.000 0.000 0.228 226 L C 1.766 178.612 176.870 -0.039 0.000 1.133 226 L CA 0.677 55.542 54.840 0.043 0.000 0.880 226 L CB -0.623 41.580 42.059 0.240 0.000 1.033 226 L HN 0.426 nan 8.230 nan 0.000 0.450 227 G N -1.481 107.294 108.800 -0.041 0.000 2.176 227 G HA2 -0.310 3.650 3.960 0.000 0.000 0.232 227 G HA3 -0.310 3.650 3.960 0.000 0.000 0.232 227 G C 0.109 174.937 174.900 -0.119 0.000 0.986 227 G CA -0.440 44.591 45.100 -0.115 0.000 0.643 227 G HN 0.222 nan 8.290 nan 0.000 0.522 228 Y N 0.651 120.932 120.300 -0.031 0.000 2.457 228 Y HA 0.484 5.033 4.550 -0.001 0.000 0.341 228 Y C 1.307 177.194 175.900 -0.022 0.000 1.240 228 Y CA -0.020 58.066 58.100 -0.024 0.000 1.437 228 Y CB 0.525 38.971 38.460 -0.024 0.000 1.328 228 Y HN 0.074 nan 8.280 nan 0.000 0.588 229 R N 2.673 123.263 120.500 0.151 0.000 2.215 229 R HA 0.378 4.718 4.340 0.000 0.000 0.337 229 R C -1.797 174.540 176.300 0.062 0.000 1.010 229 R CA -0.380 55.765 56.100 0.075 0.000 0.871 229 R CB 0.208 30.537 30.300 0.047 0.000 1.134 229 R HN 0.549 nan 8.270 nan 0.000 0.477 230 V N 4.131 124.058 119.914 0.021 0.000 2.546 230 V HA 0.327 4.447 4.120 0.000 0.000 0.284 230 V C 0.272 176.310 176.094 -0.094 0.000 1.050 230 V CA -0.286 61.988 62.300 -0.043 0.000 0.981 230 V CB 1.602 33.385 31.823 -0.068 0.000 0.990 230 V HN 0.725 nan 8.190 nan 0.000 0.474 231 T N 3.798 118.258 114.554 -0.156 0.000 2.824 231 T HA 0.629 4.979 4.350 0.000 0.000 0.282 231 T C -0.525 173.939 174.700 -0.392 0.000 0.993 231 T CA -0.514 61.449 62.100 -0.229 0.000 0.967 231 T CB 1.759 70.520 68.868 -0.178 0.000 0.960 231 T HN 0.354 nan 8.240 nan 0.000 0.441 232 V N 2.237 121.887 119.914 -0.440 0.000 2.495 232 V HA 0.702 4.822 4.120 0.000 0.000 0.298 232 V C -0.111 175.678 176.094 -0.508 0.000 1.031 232 V CA -0.821 61.154 62.300 -0.543 0.000 0.871 232 V CB 1.424 32.824 31.823 -0.705 0.000 0.988 232 V HN 1.171 nan 8.190 nan 0.000 0.432 233 C N 3.839 122.847 119.300 -0.486 0.000 2.686 233 C HA 0.858 5.318 4.460 0.000 0.000 0.318 233 C C -1.287 173.646 174.990 -0.096 0.000 1.160 233 C CA -0.199 58.634 59.018 -0.309 0.000 1.396 233 C CB 0.827 28.338 27.740 -0.381 0.000 1.924 233 C HN 1.067 nan 8.230 nan 0.000 0.471 234 D N 2.258 122.588 120.400 -0.117 0.000 2.655 234 D HA 0.617 5.257 4.640 0.000 0.000 0.229 234 D C 0.566 176.704 176.300 -0.270 0.000 1.229 234 D CA 0.053 53.953 54.000 -0.167 0.000 0.807 234 D CB 2.291 43.057 40.800 -0.058 0.000 1.514 234 D HN 0.804 nan 8.370 nan 0.000 0.444 235 A N 2.177 124.649 122.820 -0.580 0.000 2.067 235 A HA 0.021 4.341 4.320 0.000 0.000 0.219 235 A C 0.904 178.320 177.584 -0.279 0.000 1.158 235 A CA 0.894 52.591 52.037 -0.566 0.000 0.661 235 A CB -0.207 18.064 19.000 -1.216 0.000 0.801 235 A HN 0.477 nan 8.150 nan 0.000 0.452 236 R N 0.256 120.631 120.500 -0.208 0.000 2.234 236 R HA 0.264 4.604 4.340 0.000 0.000 0.324 236 R C -1.888 174.379 176.300 -0.056 0.000 1.054 236 R CA -1.556 54.476 56.100 -0.113 0.000 0.912 236 R CB 0.820 31.037 30.300 -0.138 0.000 1.030 236 R HN 0.199 nan 8.270 nan 0.000 0.455 237 P HA -0.047 nan 4.420 nan 0.000 0.236 237 P C 0.914 178.230 177.300 0.027 0.000 1.177 237 P CA 0.473 63.577 63.100 0.007 0.000 0.773 237 P CB 0.287 31.991 31.700 0.006 0.000 0.878 238 V N -0.830 119.063 119.914 -0.035 0.000 2.332 238 V HA -0.204 3.916 4.120 0.000 0.000 0.248 238 V C 2.360 178.551 176.094 0.162 0.000 1.055 238 V CA 1.829 64.104 62.300 -0.041 0.000 1.038 238 V CB -1.470 30.198 31.823 -0.259 0.000 0.651 238 V HN 0.059 nan 8.190 nan 0.000 0.450 239 F N -0.087 119.892 119.950 0.049 0.000 2.505 239 F HA 0.343 4.870 4.527 -0.000 0.000 0.289 239 F C 1.982 177.888 175.800 0.176 0.000 1.101 239 F CA 0.231 58.287 58.000 0.094 0.000 1.446 239 F CB -0.003 39.057 39.000 0.101 0.000 1.123 239 F HN 0.102 nan 8.300 nan 0.000 0.564 240 A N 1.363 124.359 122.820 0.294 0.000 3.029 240 A HA 0.210 4.530 4.320 0.000 0.000 0.251 240 A C -0.113 177.582 177.584 0.186 0.000 1.749 240 A CA 0.257 52.413 52.037 0.199 0.000 1.386 240 A CB -1.336 17.694 19.000 0.050 0.000 1.043 240 A HN 0.066 nan 8.150 nan 0.000 0.638 241 T N 0.343 115.059 114.554 0.270 0.000 2.794 241 T HA 0.325 4.675 4.350 0.000 0.000 0.280 241 T C 1.781 176.615 174.700 0.223 0.000 0.987 241 T CA 0.186 62.392 62.100 0.176 0.000 0.993 241 T CB 1.512 70.444 68.868 0.107 0.000 0.939 241 T HN 0.641 nan 8.240 nan 0.000 0.449 242 T N 1.049 115.688 114.554 0.142 0.000 2.720 242 T HA -0.168 4.182 4.350 0.000 0.000 0.268 242 T C 2.328 177.080 174.700 0.088 0.000 1.037 242 T CA 1.030 63.206 62.100 0.126 0.000 1.144 242 T CB -0.546 68.362 68.868 0.067 0.000 0.864 242 T HN 0.618 nan 8.240 nan 0.000 0.444 243 A N 1.816 124.662 122.820 0.043 0.000 2.076 243 A HA -0.045 4.275 4.320 0.000 0.000 0.220 243 A C 2.514 180.063 177.584 -0.060 0.000 1.160 243 A CA 1.306 53.343 52.037 -0.001 0.000 0.653 243 A CB -0.586 18.412 19.000 -0.003 0.000 0.801 243 A HN 0.615 nan 8.150 nan 0.000 0.455 244 R N -2.368 118.066 120.500 -0.110 0.000 2.223 244 R HA 0.164 4.504 4.340 0.000 0.000 0.198 244 R C -0.693 175.232 176.300 -0.625 0.000 0.984 244 R CA 0.283 56.163 56.100 -0.367 0.000 1.018 244 R CB 0.173 30.193 30.300 -0.466 0.000 0.945 244 R HN 0.480 nan 8.270 nan 0.000 0.479 245 F N 1.362 121.289 119.950 -0.038 0.000 2.453 245 F HA 0.308 4.835 4.527 -0.000 0.000 0.358 245 F C -1.636 174.141 175.800 -0.038 0.000 1.129 245 F CA -2.487 55.484 58.000 -0.049 0.000 1.200 245 F CB 1.449 40.413 39.000 -0.060 0.000 1.431 245 F HN -0.159 nan 8.300 nan 0.000 0.503 246 P HA -0.085 nan 4.420 nan 0.000 0.214 246 P C 1.258 178.587 177.300 0.048 0.000 1.162 246 P CA 1.495 64.618 63.100 0.039 0.000 0.874 246 P CB 0.079 31.780 31.700 0.002 0.000 0.784 247 T N -0.506 114.076 114.554 0.047 0.000 3.055 247 T HA 0.218 4.568 4.350 0.000 0.000 0.265 247 T C 1.191 175.915 174.700 0.040 0.000 1.111 247 T CA 0.372 62.494 62.100 0.038 0.000 1.118 247 T CB -0.581 68.305 68.868 0.031 0.000 0.909 247 T HN 0.167 nan 8.240 nan 0.000 0.501 248 A N 1.909 124.763 122.820 0.057 0.000 2.520 248 A HA 0.195 4.515 4.320 0.000 0.000 0.245 248 A C 1.285 178.876 177.584 0.011 0.000 1.072 248 A CA -0.285 51.765 52.037 0.021 0.000 0.761 248 A CB 0.027 19.030 19.000 0.004 0.000 1.004 248 A HN 0.227 nan 8.150 nan 0.000 0.499 249 D N 0.917 121.314 120.400 -0.005 0.000 2.117 249 D HA -0.060 4.580 4.640 0.000 0.000 0.198 249 D C 0.551 176.846 176.300 -0.008 0.000 0.982 249 D CA 1.697 55.697 54.000 0.000 0.000 0.828 249 D CB 0.299 41.102 40.800 0.004 0.000 0.967 249 D HN 0.712 nan 8.370 nan 0.000 0.464 250 E N -0.505 119.673 120.200 -0.037 0.000 2.278 250 E HA 0.419 4.769 4.350 0.000 0.000 0.272 250 E C -1.771 174.762 176.600 -0.111 0.000 0.890 250 E CA -0.667 55.704 56.400 -0.048 0.000 0.770 250 E CB 1.980 31.663 29.700 -0.028 0.000 1.212 250 E HN -0.188 nan 8.360 nan 0.000 0.415 251 V N 4.212 124.071 119.914 -0.091 0.000 2.487 251 V HA 0.557 4.677 4.120 0.000 0.000 0.298 251 V C -0.612 175.412 176.094 -0.116 0.000 1.028 251 V CA -0.815 61.401 62.300 -0.140 0.000 0.860 251 V CB 1.598 33.386 31.823 -0.057 0.000 0.991 251 V HN 0.480 nan 8.190 nan 0.000 0.427 252 V N 5.603 125.404 119.914 -0.189 0.000 2.841 252 V HA 0.616 4.736 4.120 0.000 0.000 0.310 252 V C -0.734 175.278 176.094 -0.138 0.000 1.090 252 V CA -0.447 61.767 62.300 -0.144 0.000 0.930 252 V CB 2.673 34.393 31.823 -0.171 0.000 1.014 252 V HN 0.637 nan 8.190 nan 0.000 0.425 253 V N 5.912 125.792 119.914 -0.057 0.000 2.385 253 V HA 0.621 4.741 4.120 0.000 0.000 0.269 253 V C -0.265 175.824 176.094 -0.008 0.000 1.043 253 V CA 0.101 62.378 62.300 -0.038 0.000 0.906 253 V CB 0.976 32.797 31.823 -0.003 0.000 0.995 253 V HN 0.950 nan 8.190 nan 0.000 0.467 254 D N 3.009 123.392 120.400 -0.028 0.000 2.685 254 D HA 0.217 4.857 4.640 0.000 0.000 0.236 254 D C -1.433 174.873 176.300 0.011 0.000 1.233 254 D CA -0.659 53.376 54.000 0.058 0.000 0.760 254 D CB 1.365 42.236 40.800 0.118 0.000 1.410 254 D HN 0.317 nan 8.370 nan 0.000 0.439 255 W N 3.162 124.391 121.300 -0.117 0.000 2.489 255 W HA 0.213 4.872 4.660 -0.000 0.000 0.327 255 W C -1.377 175.062 176.519 -0.133 0.000 1.436 255 W CA -1.135 56.117 57.345 -0.155 0.000 1.315 255 W CB 0.224 29.644 29.460 -0.067 0.000 1.373 255 W HN 0.372 nan 8.180 nan 0.000 0.557 256 P HA -0.353 nan 4.420 nan 0.000 0.217 256 P C 1.823 179.082 177.300 -0.067 0.000 1.158 256 P CA 2.663 65.729 63.100 -0.056 0.000 0.887 256 P CB -0.116 31.450 31.700 -0.223 0.000 0.792 257 H N -0.461 118.624 119.070 0.025 0.000 2.387 257 H HA -0.035 4.521 4.556 0.000 0.000 0.299 257 H C 1.845 177.220 175.328 0.080 0.000 1.090 257 H CA 1.337 57.404 56.048 0.032 0.000 1.332 257 H CB -0.728 29.094 29.762 0.101 0.000 1.386 257 H HN 0.100 nan 8.280 nan 0.000 0.516 258 R N -0.331 119.846 120.500 -0.539 0.000 2.066 258 R HA -0.136 4.204 4.340 0.000 0.000 0.232 258 R C 2.406 178.679 176.300 -0.045 0.000 1.131 258 R CA 1.420 57.331 56.100 -0.315 0.000 0.955 258 R CB -0.579 29.544 30.300 -0.295 0.000 0.851 258 R HN 0.309 nan 8.270 nan 0.000 0.432 259 Y N 1.500 121.779 120.300 -0.036 0.000 2.128 259 Y HA -0.288 4.262 4.550 0.000 0.000 0.284 259 Y C 2.133 178.085 175.900 0.087 0.000 1.154 259 Y CA 1.645 59.781 58.100 0.060 0.000 1.149 259 Y CB -0.335 38.221 38.460 0.160 0.000 0.976 259 Y HN 0.008 nan 8.280 nan 0.000 0.505 260 L N 0.573 121.920 121.223 0.205 0.000 1.994 260 L HA -0.118 4.222 4.340 0.000 0.000 0.208 260 L C 2.485 179.367 176.870 0.019 0.000 1.071 260 L CA 2.287 57.217 54.840 0.150 0.000 0.745 260 L CB -1.417 40.707 42.059 0.109 0.000 0.892 260 L HN 0.258 nan 8.230 nan 0.000 0.431 261 A N -0.615 122.209 122.820 0.006 0.000 1.978 261 A HA -0.118 4.202 4.320 0.000 0.000 0.220 261 A C 2.427 179.985 177.584 -0.043 0.000 1.170 261 A CA 1.800 53.835 52.037 -0.004 0.000 0.636 261 A CB -1.131 17.878 19.000 0.015 0.000 0.810 261 A HN 0.608 nan 8.150 nan 0.000 0.448 262 A N -1.008 121.757 122.820 -0.092 0.000 1.902 262 A HA -0.165 4.155 4.320 0.000 0.000 0.217 262 A C 2.106 179.601 177.584 -0.148 0.000 1.181 262 A CA 1.601 53.561 52.037 -0.129 0.000 0.623 262 A CB -0.420 18.471 19.000 -0.182 0.000 0.818 262 A HN 0.496 nan 8.150 nan 0.000 0.443 263 Q N -0.249 119.434 119.800 -0.196 0.000 2.084 263 Q HA -0.110 4.230 4.340 0.000 0.000 0.202 263 Q C 2.423 178.389 176.000 -0.055 0.000 0.978 263 Q CA 1.576 57.292 55.803 -0.145 0.000 0.844 263 Q CB -0.909 27.751 28.738 -0.130 0.000 0.898 263 Q HN 0.648 nan 8.270 nan 0.000 0.426 264 A N 1.649 124.452 122.820 -0.029 0.000 1.865 264 A HA -0.203 4.117 4.320 0.000 0.000 0.217 264 A C 2.028 179.605 177.584 -0.012 0.000 1.191 264 A CA 1.505 53.539 52.037 -0.005 0.000 0.623 264 A CB -0.430 18.575 19.000 0.007 0.000 0.826 264 A HN 0.226 nan 8.150 nan 0.000 0.444 265 E N -0.407 119.780 120.200 -0.022 0.000 2.265 265 E HA -0.104 4.246 4.350 0.000 0.000 0.196 265 E C 1.917 178.504 176.600 -0.022 0.000 0.996 265 E CA 1.062 57.450 56.400 -0.020 0.000 0.832 265 E CB -0.269 29.417 29.700 -0.024 0.000 0.756 265 E HN 0.584 nan 8.360 nan 0.000 0.491 266 A N -0.355 122.445 122.820 -0.033 0.000 2.275 266 A HA 0.311 4.631 4.320 0.000 0.000 0.212 266 A C 1.677 179.252 177.584 -0.015 0.000 1.201 266 A CA 0.875 52.895 52.037 -0.029 0.000 0.843 266 A CB -0.025 18.949 19.000 -0.044 0.000 0.873 266 A HN 0.241 nan 8.150 nan 0.000 0.492 267 G N -1.462 107.333 108.800 -0.008 0.000 2.166 267 G HA2 -0.176 3.784 3.960 0.000 0.000 0.260 267 G HA3 -0.176 3.784 3.960 0.000 0.000 0.260 267 G C 1.057 175.962 174.900 0.008 0.000 0.986 267 G CA 0.790 45.892 45.100 0.004 0.000 0.683 267 G HN 1.449 nan 8.290 nan 0.000 0.527 268 A N -0.369 122.452 122.820 0.001 0.000 2.206 268 A HA 0.532 4.852 4.320 0.000 0.000 0.211 268 A C 1.294 178.896 177.584 0.030 0.000 1.158 268 A CA 1.199 53.242 52.037 0.011 0.000 0.761 268 A CB -0.219 18.779 19.000 -0.003 0.000 0.801 268 A HN 1.599 nan 8.150 nan 0.000 0.473 269 I N -1.114 119.477 120.570 0.035 0.000 2.382 269 I HA 0.418 4.588 4.170 0.000 0.000 0.286 269 I C -0.707 175.443 176.117 0.054 0.000 1.002 269 I CA -1.040 60.294 61.300 0.057 0.000 1.135 269 I CB 1.350 39.392 38.000 0.071 0.000 1.288 269 I HN 0.220 nan 8.210 nan 0.000 0.448 270 D N 5.856 126.292 120.400 0.059 0.000 2.496 270 D HA 0.267 4.907 4.640 0.000 0.000 0.283 270 D C 1.157 177.495 176.300 0.063 0.000 1.214 270 D CA -0.191 53.840 54.000 0.052 0.000 1.089 270 D CB 1.338 42.165 40.800 0.044 0.000 1.141 270 D HN 0.559 nan 8.370 nan 0.000 0.580 271 A N -0.309 122.545 122.820 0.056 0.000 1.933 271 A HA -0.183 4.137 4.320 0.000 0.000 0.218 271 A C 2.066 179.701 177.584 0.086 0.000 1.175 271 A CA 1.529 53.604 52.037 0.063 0.000 0.628 271 A CB -0.686 18.344 19.000 0.049 0.000 0.814 271 A HN 0.647 nan 8.150 nan 0.000 0.444 272 R N -0.226 120.328 120.500 0.090 0.000 2.480 272 R HA 0.162 4.502 4.340 0.000 0.000 0.277 272 R C -0.715 175.702 176.300 0.195 0.000 1.008 272 R CA 0.083 56.260 56.100 0.128 0.000 1.090 272 R CB -0.697 29.657 30.300 0.089 0.000 1.234 272 R HN 0.177 nan 8.270 nan 0.000 0.549 273 T N 1.083 115.737 114.554 0.166 0.000 2.918 273 T HA 0.252 4.602 4.350 0.000 0.000 0.302 273 T C -0.380 174.427 174.700 0.178 0.000 1.045 273 T CA -0.021 62.189 62.100 0.183 0.000 1.114 273 T CB 1.838 70.790 68.868 0.140 0.000 0.965 273 T HN -0.016 nan 8.240 nan 0.000 0.540 274 V N 3.271 123.266 119.914 0.134 0.000 2.588 274 V HA 0.528 4.648 4.120 0.000 0.000 0.304 274 V C -0.494 175.657 176.094 0.096 0.000 1.042 274 V CA -0.648 61.707 62.300 0.091 0.000 0.877 274 V CB 2.162 33.900 31.823 -0.141 0.000 0.996 274 V HN 0.682 nan 8.190 nan 0.000 0.425 275 V N 3.302 123.331 119.914 0.191 0.000 2.680 275 V HA 0.560 4.680 4.120 0.000 0.000 0.309 275 V C -0.567 175.663 176.094 0.228 0.000 1.052 275 V CA -0.485 61.937 62.300 0.204 0.000 0.908 275 V CB 1.998 33.972 31.823 0.252 0.000 1.001 275 V HN 0.960 nan 8.190 nan 0.000 0.431 276 C N 3.760 123.182 119.300 0.202 0.000 2.397 276 C HA 0.585 5.045 4.460 0.000 0.000 0.325 276 C C -0.029 175.102 174.990 0.235 0.000 1.201 276 C CA -0.817 58.319 59.018 0.196 0.000 1.377 276 C CB 1.186 28.995 27.740 0.115 0.000 2.038 276 C HN 0.620 nan 8.230 nan 0.000 0.457 277 V N 5.471 125.513 119.914 0.213 0.000 2.318 277 V HA 0.242 4.362 4.120 0.000 0.000 0.271 277 V C 0.497 176.707 176.094 0.193 0.000 1.030 277 V CA 0.109 62.538 62.300 0.215 0.000 0.844 277 V CB 0.732 32.647 31.823 0.154 0.000 1.015 277 V HN 0.823 nan 8.190 nan 0.000 0.460 278 L N 3.415 124.766 121.223 0.214 0.000 2.791 278 L HA 0.324 4.664 4.340 0.000 0.000 0.239 278 L C 0.648 177.642 176.870 0.207 0.000 1.203 278 L CA 0.403 55.374 54.840 0.218 0.000 1.002 278 L CB 0.394 42.611 42.059 0.262 0.000 1.295 278 L HN 0.672 nan 8.230 nan 0.000 0.504 279 T N -0.666 114.010 114.554 0.203 0.000 2.916 279 T HA 0.312 4.662 4.350 0.000 0.000 0.298 279 T C 0.194 175.004 174.700 0.183 0.000 1.031 279 T CA -0.434 61.774 62.100 0.180 0.000 0.993 279 T CB 1.009 69.988 68.868 0.185 0.000 1.045 279 T HN 0.387 nan 8.240 nan 0.000 0.454 280 H N 2.078 121.189 119.070 0.067 0.000 2.512 280 H HA 0.295 4.851 4.556 -0.000 0.000 0.276 280 H C -0.417 174.916 175.328 0.008 0.000 1.126 280 H CA -0.515 55.556 56.048 0.039 0.000 1.060 280 H CB 0.060 29.840 29.762 0.029 0.000 1.646 280 H HN 0.469 nan 8.280 nan 0.000 0.571 281 D N 3.719 124.012 120.400 -0.178 0.000 2.339 281 D HA 0.084 4.724 4.640 0.000 0.000 0.256 281 D C -1.180 175.003 176.300 -0.195 0.000 1.214 281 D CA -2.188 51.670 54.000 -0.236 0.000 0.877 281 D CB 1.729 42.345 40.800 -0.308 0.000 1.111 281 D HN 0.043 nan 8.370 nan 0.000 0.478 282 P HA -0.253 nan 4.420 nan 0.000 0.217 282 P C 1.120 178.326 177.300 -0.155 0.000 1.148 282 P CA 1.216 64.251 63.100 -0.109 0.000 0.834 282 P CB 0.239 31.887 31.700 -0.086 0.000 0.783 283 K N -1.433 118.766 120.400 -0.334 0.000 2.097 283 K HA -0.128 4.192 4.320 0.000 0.000 0.206 283 K C 1.552 177.969 176.600 -0.305 0.000 1.049 283 K CA 1.455 57.483 56.287 -0.432 0.000 0.933 283 K CB -0.146 31.857 32.500 -0.827 0.000 0.717 283 K HN 0.053 nan 8.250 nan 0.000 0.442 284 F N 0.488 120.390 119.950 -0.080 0.000 2.537 284 F HA 0.036 4.563 4.527 0.001 0.000 0.277 284 F C 2.065 177.859 175.800 -0.011 0.000 1.013 284 F CA 0.176 58.145 58.000 -0.052 0.000 1.332 284 F CB -0.989 37.935 39.000 -0.127 0.000 1.108 284 F HN 0.069 nan 8.300 nan 0.000 0.679 285 D N 1.111 121.599 120.400 0.147 0.000 2.144 285 D HA -0.109 4.531 4.640 0.000 0.000 0.200 285 D C 1.916 178.250 176.300 0.057 0.000 0.978 285 D CA 1.334 55.392 54.000 0.096 0.000 0.833 285 D CB -0.908 39.949 40.800 0.095 0.000 0.961 285 D HN 0.190 nan 8.370 nan 0.000 0.470 286 V N 1.673 121.611 119.914 0.040 0.000 2.244 286 V HA -0.144 3.976 4.120 0.000 0.000 0.244 286 V C -0.327 175.775 176.094 0.013 0.000 1.042 286 V CA 1.999 64.312 62.300 0.021 0.000 1.006 286 V CB -1.727 30.100 31.823 0.006 0.000 0.641 286 V HN 0.195 nan 8.190 nan 0.000 0.446 287 P HA -0.159 nan 4.420 nan 0.000 0.217 287 P C 1.843 179.155 177.300 0.019 0.000 1.148 287 P CA 1.234 64.306 63.100 -0.048 0.000 0.828 287 P CB -0.036 31.554 31.700 -0.184 0.000 0.783 288 L N -1.141 120.114 121.223 0.052 0.000 2.023 288 L HA -0.078 4.262 4.340 0.000 0.000 0.205 288 L C 2.181 179.041 176.870 -0.017 0.000 1.073 288 L CA 1.714 56.557 54.840 0.005 0.000 0.745 288 L CB -1.276 40.723 42.059 -0.099 0.000 0.900 288 L HN -0.155 nan 8.230 nan 0.000 0.435 289 L N -0.497 120.724 121.223 -0.003 0.000 2.131 289 L HA -0.203 4.137 4.340 0.000 0.000 0.210 289 L C 2.476 179.351 176.870 0.009 0.000 1.092 289 L CA 1.228 56.070 54.840 0.004 0.000 0.759 289 L CB -0.585 41.482 42.059 0.014 0.000 0.903 289 L HN 0.364 nan 8.230 nan 0.000 0.435 290 E N -0.481 119.726 120.200 0.011 0.000 2.097 290 E HA -0.223 4.127 4.350 0.000 0.000 0.196 290 E C 2.168 178.779 176.600 0.018 0.000 1.000 290 E CA 1.660 58.066 56.400 0.011 0.000 0.804 290 E CB -0.066 29.636 29.700 0.004 0.000 0.740 290 E HN 0.351 nan 8.360 nan 0.000 0.454 291 V N 0.800 120.730 119.914 0.027 0.000 2.446 291 V HA -0.126 3.994 4.120 0.000 0.000 0.244 291 V C 2.271 178.382 176.094 0.028 0.000 1.039 291 V CA 1.488 63.809 62.300 0.034 0.000 1.045 291 V CB -0.629 31.226 31.823 0.052 0.000 0.681 291 V HN 0.277 nan 8.190 nan 0.000 0.459 292 A N 0.097 122.930 122.820 0.022 0.000 1.933 292 A HA -0.089 4.231 4.320 0.000 0.000 0.218 292 A C 2.064 179.662 177.584 0.025 0.000 1.175 292 A CA 1.617 53.671 52.037 0.029 0.000 0.628 292 A CB -0.530 18.484 19.000 0.023 0.000 0.814 292 A HN 0.518 nan 8.150 nan 0.000 0.444 293 L N -1.471 119.761 121.223 0.015 0.000 2.591 293 L HA 0.128 4.468 4.340 0.000 0.000 0.228 293 L C 2.071 178.949 176.870 0.014 0.000 1.133 293 L CA 0.217 55.063 54.840 0.010 0.000 0.880 293 L CB -0.018 42.044 42.059 0.005 0.000 1.033 293 L HN 0.275 nan 8.230 nan 0.000 0.450 294 R N -0.879 119.632 120.500 0.018 0.000 2.404 294 R HA 0.274 4.614 4.340 0.000 0.000 0.237 294 R C 0.121 176.434 176.300 0.022 0.000 0.907 294 R CA -0.238 55.873 56.100 0.018 0.000 1.063 294 R CB 0.553 30.863 30.300 0.017 0.000 1.134 294 R HN 0.186 nan 8.270 nan 0.000 0.529 295 L N 3.179 124.418 121.223 0.027 0.000 2.367 295 L HA 0.216 4.556 4.340 0.000 0.000 0.275 295 L C -2.048 174.841 176.870 0.031 0.000 1.129 295 L CA -1.930 52.928 54.840 0.031 0.000 0.839 295 L CB 0.382 42.465 42.059 0.041 0.000 1.133 295 L HN -0.269 nan 8.230 nan 0.000 0.453 296 P HA -0.037 nan 4.420 nan 0.000 0.264 296 P C -1.028 176.293 177.300 0.035 0.000 1.183 296 P CA -0.184 62.932 63.100 0.028 0.000 0.763 296 P CB 0.282 31.997 31.700 0.025 0.000 0.807 297 D N 2.122 122.543 120.400 0.035 0.000 2.525 297 D HA 0.092 4.732 4.640 0.000 0.000 0.235 297 D C 0.631 176.963 176.300 0.053 0.000 1.137 297 D CA 0.774 54.800 54.000 0.042 0.000 0.868 297 D CB -0.146 40.678 40.800 0.040 0.000 1.180 297 D HN 0.274 nan 8.370 nan 0.000 0.465 298 I N -2.470 118.138 120.570 0.064 0.000 3.108 298 I HA 0.663 4.833 4.170 0.000 0.000 0.312 298 I C 0.965 177.145 176.117 0.105 0.000 1.095 298 I CA -1.244 60.107 61.300 0.084 0.000 1.000 298 I CB 1.927 39.980 38.000 0.089 0.000 1.229 298 I HN 0.249 nan 8.210 nan 0.000 0.454 299 A N 2.614 125.516 122.820 0.137 0.000 1.873 299 A HA -0.104 4.216 4.320 0.000 0.000 0.218 299 A C 0.599 178.326 177.584 0.240 0.000 1.193 299 A CA 1.950 54.093 52.037 0.177 0.000 0.629 299 A CB -0.495 18.623 19.000 0.198 0.000 0.826 299 A HN 0.892 nan 8.150 nan 0.000 0.447 300 Y N -1.613 118.721 120.300 0.057 0.000 2.314 300 Y HA 0.513 5.063 4.550 0.000 0.000 0.317 300 Y C -1.606 174.318 175.900 0.040 0.000 1.234 300 Y CA -1.171 56.954 58.100 0.040 0.000 1.111 300 Y CB 0.902 39.375 38.460 0.020 0.000 1.283 300 Y HN 0.170 nan 8.280 nan 0.000 0.418 301 I N 5.458 125.814 120.570 -0.356 0.000 2.474 301 I HA 0.913 5.083 4.170 0.000 0.000 0.294 301 I C 0.098 175.845 176.117 -0.617 0.000 1.005 301 I CA -0.907 60.220 61.300 -0.289 0.000 1.113 301 I CB 2.198 40.134 38.000 -0.107 0.000 1.289 301 I HN 0.779 nan 8.210 nan 0.000 0.436 302 G N 3.364 111.948 108.800 -0.360 0.000 2.746 302 G HA2 0.778 4.738 3.960 0.000 0.000 0.297 302 G HA3 0.778 4.738 3.960 0.000 0.000 0.297 302 G C -1.580 173.315 174.900 -0.009 0.000 1.426 302 G CA -0.487 44.459 45.100 -0.256 0.000 0.989 302 G HN 0.844 nan 8.290 nan 0.000 0.520 306 S N -2.155 113.502 115.700 -0.071 0.000 2.599 306 S HA 0.711 5.181 4.470 0.000 0.000 0.294 306 S C 1.374 175.996 174.600 0.038 0.000 1.094 306 S CA 0.819 58.998 58.200 -0.036 0.000 0.931 306 S CB 1.741 64.903 63.200 -0.064 0.000 1.093 306 S HN 1.860 nan 8.310 nan 0.000 0.488 307 R N 0.455 120.987 120.500 0.053 0.000 2.127 307 R HA 0.016 4.356 4.340 0.000 0.000 0.238 307 R C 2.661 178.983 176.300 0.037 0.000 1.134 307 R CA 2.442 58.599 56.100 0.096 0.000 0.975 307 R CB -2.221 28.112 30.300 0.055 0.000 0.865 307 R HN 1.023 nan 8.270 nan 0.000 0.447 308 R N -0.142 120.361 120.500 0.004 0.000 2.073 308 R HA -0.097 4.243 4.340 0.000 0.000 0.234 308 R C 2.587 178.872 176.300 -0.024 0.000 1.134 308 R CA 2.416 58.505 56.100 -0.018 0.000 0.952 308 R CB -1.647 28.636 30.300 -0.029 0.000 0.850 308 R HN 0.706 nan 8.270 nan 0.000 0.433 309 T N -1.397 113.138 114.554 -0.032 0.000 3.040 309 T HA -0.001 4.349 4.350 0.000 0.000 0.250 309 T C 1.811 176.529 174.700 0.031 0.000 1.058 309 T CA 0.882 62.961 62.100 -0.035 0.000 0.988 309 T CB -0.327 68.458 68.868 -0.137 0.000 0.993 309 T HN 0.691 nan 8.240 nan 0.000 0.519 310 H N 1.582 120.618 119.070 -0.057 0.000 2.353 310 H HA 0.041 4.597 4.556 0.000 0.000 0.300 310 H C 1.902 177.218 175.328 -0.020 0.000 1.090 310 H CA 2.218 58.245 56.048 -0.035 0.000 1.327 310 H CB -0.342 29.401 29.762 -0.031 0.000 1.383 310 H HN 0.334 nan 8.280 nan 0.000 0.508 311 E N 0.520 120.587 120.200 -0.222 0.000 2.077 311 E HA -0.114 4.236 4.350 0.000 0.000 0.193 311 E C 2.044 178.584 176.600 -0.100 0.000 0.989 311 E CA 1.106 57.350 56.400 -0.260 0.000 0.800 311 E CB -0.372 29.215 29.700 -0.190 0.000 0.746 311 E HN 0.513 nan 8.360 nan 0.000 0.452 312 D N -0.135 120.241 120.400 -0.040 0.000 2.137 312 D HA -0.222 4.418 4.640 0.000 0.000 0.189 312 D C 2.011 178.316 176.300 0.009 0.000 0.998 312 D CA 1.342 55.338 54.000 -0.008 0.000 0.839 312 D CB -0.271 40.540 40.800 0.018 0.000 0.962 312 D HN 0.072 nan 8.370 nan 0.000 0.446 313 R N 0.297 120.823 120.500 0.043 0.000 2.117 313 R HA -0.122 4.218 4.340 0.000 0.000 0.243 313 R C 2.631 178.963 176.300 0.054 0.000 1.143 313 R CA 0.800 56.938 56.100 0.063 0.000 0.968 313 R CB -0.331 30.030 30.300 0.101 0.000 0.863 313 R HN 0.203 nan 8.270 nan 0.000 0.444 314 L N -0.221 121.030 121.223 0.046 0.000 1.989 314 L HA -0.185 4.155 4.340 0.000 0.000 0.211 314 L C 2.652 179.519 176.870 -0.004 0.000 1.071 314 L CA 1.621 56.474 54.840 0.021 0.000 0.749 314 L CB -0.598 41.419 42.059 -0.069 0.000 0.890 314 L HN 0.359 nan 8.230 nan 0.000 0.431 315 A N -0.313 122.492 122.820 -0.026 0.000 1.897 315 A HA -0.219 4.101 4.320 0.000 0.000 0.215 315 A C 2.340 179.919 177.584 -0.008 0.000 1.181 315 A CA 1.411 53.435 52.037 -0.021 0.000 0.620 315 A CB -0.535 18.446 19.000 -0.031 0.000 0.821 315 A HN 0.305 nan 8.150 nan 0.000 0.443 316 R N -0.445 120.054 120.500 -0.002 0.000 2.170 316 R HA -0.123 4.217 4.340 0.000 0.000 0.242 316 R C 1.993 178.295 176.300 0.005 0.000 1.145 316 R CA 1.491 57.592 56.100 0.003 0.000 0.984 316 R CB -0.428 29.878 30.300 0.010 0.000 0.869 316 R HN 0.627 nan 8.270 nan 0.000 0.455 317 L N 0.061 121.290 121.223 0.009 0.000 2.072 317 L HA -0.070 4.270 4.340 0.000 0.000 0.205 317 L C 1.795 178.668 176.870 0.004 0.000 1.079 317 L CA 1.340 56.185 54.840 0.010 0.000 0.752 317 L CB -0.066 42.003 42.059 0.018 0.000 0.906 317 L HN 0.035 nan 8.230 nan 0.000 0.436 318 R N 0.041 120.542 120.500 0.002 0.000 2.285 318 R HA -0.086 4.254 4.340 0.000 0.000 0.213 318 R C 1.891 178.189 176.300 -0.003 0.000 1.068 318 R CA 1.096 57.195 56.100 -0.001 0.000 1.004 318 R CB -0.201 30.097 30.300 -0.004 0.000 0.873 318 R HN 0.542 nan 8.270 nan 0.000 0.467 319 E N 0.557 120.755 120.200 -0.003 0.000 2.208 319 E HA -0.060 4.290 4.350 0.000 0.000 0.193 319 E C 1.276 177.873 176.600 -0.005 0.000 0.988 319 E CA 0.951 57.349 56.400 -0.005 0.000 0.828 319 E CB 0.112 29.809 29.700 -0.006 0.000 0.763 319 E HN 0.322 nan 8.360 nan 0.000 0.478 320 A N 0.674 123.492 122.820 -0.004 0.000 2.327 320 A HA 0.324 4.644 4.320 0.000 0.000 0.228 320 A C 1.454 179.037 177.584 -0.003 0.000 1.275 320 A CA 0.461 52.495 52.037 -0.005 0.000 0.875 320 A CB -0.581 18.416 19.000 -0.005 0.000 0.925 320 A HN 0.256 nan 8.150 nan 0.000 0.493 321 G N -0.366 108.433 108.800 -0.002 0.000 2.321 321 G HA2 -0.257 3.703 3.960 0.000 0.000 0.287 321 G HA3 -0.257 3.703 3.960 0.000 0.000 0.287 321 G C 0.163 175.063 174.900 0.001 0.000 1.018 321 G CA 0.614 45.713 45.100 -0.001 0.000 0.855 321 G HN 0.886 nan 8.290 nan 0.000 0.507 322 L N 1.625 122.850 121.223 0.002 0.000 2.410 322 L HA 0.526 4.866 4.340 0.000 0.000 0.273 322 L C 1.438 178.311 176.870 0.005 0.000 1.152 322 L CA -0.015 54.828 54.840 0.004 0.000 0.855 322 L CB 0.573 42.636 42.059 0.006 0.000 1.129 322 L HN 0.409 nan 8.230 nan 0.000 0.463 323 T N 0.567 115.124 114.554 0.006 0.000 2.928 323 T HA 0.032 4.382 4.350 0.000 0.000 0.305 323 T C 0.995 175.700 174.700 0.007 0.000 1.035 323 T CA -0.561 61.542 62.100 0.006 0.000 1.145 323 T CB 0.845 69.717 68.868 0.006 0.000 0.963 323 T HN 0.677 nan 8.240 nan 0.000 0.545 324 E N 1.442 121.646 120.200 0.007 0.000 2.110 324 E HA -0.162 4.188 4.350 0.000 0.000 0.193 324 E C 1.844 178.450 176.600 0.011 0.000 0.988 324 E CA 1.233 57.638 56.400 0.009 0.000 0.804 324 E CB -0.104 29.601 29.700 0.007 0.000 0.745 324 E HN 0.953 nan 8.360 nan 0.000 0.458 325 E N 0.597 120.803 120.200 0.010 0.000 2.274 325 E HA -0.150 4.200 4.350 0.000 0.000 0.194 325 E C 1.490 178.097 176.600 0.012 0.000 0.996 325 E CA 0.454 56.861 56.400 0.012 0.000 0.840 325 E CB 0.162 29.869 29.700 0.011 0.000 0.772 325 E HN 0.298 nan 8.360 nan 0.000 0.491 326 E N -0.034 120.172 120.200 0.010 0.000 2.204 326 E HA -0.156 4.194 4.350 0.000 0.000 0.194 326 E C 1.711 178.315 176.600 0.007 0.000 0.989 326 E CA 0.474 56.880 56.400 0.009 0.000 0.824 326 E CB 0.087 29.793 29.700 0.009 0.000 0.756 326 E HN 0.234 nan 8.360 nan 0.000 0.477 327 L N 0.382 121.611 121.223 0.010 0.000 2.551 327 L HA -0.046 4.294 4.340 0.000 0.000 0.228 327 L C 2.171 179.046 176.870 0.008 0.000 1.153 327 L CA 0.578 55.425 54.840 0.012 0.000 0.851 327 L CB -0.226 41.847 42.059 0.024 0.000 0.959 327 L HN 0.079 nan 8.230 nan 0.000 0.451 328 A N -0.009 122.816 122.820 0.009 0.000 1.933 328 A HA -0.180 4.140 4.320 0.000 0.000 0.218 328 A C 2.407 179.990 177.584 -0.003 0.000 1.175 328 A CA 1.321 53.364 52.037 0.009 0.000 0.628 328 A CB -0.373 18.636 19.000 0.015 0.000 0.814 328 A HN 0.344 nan 8.150 nan 0.000 0.444 329 R N -1.397 119.097 120.500 -0.011 0.000 2.339 329 R HA 0.129 4.469 4.340 0.000 0.000 0.199 329 R C 0.117 176.366 176.300 -0.085 0.000 1.018 329 R CA -0.206 55.875 56.100 -0.031 0.000 1.036 329 R CB -0.359 29.931 30.300 -0.016 0.000 0.899 329 R HN 0.463 nan 8.270 nan 0.000 0.473 330 L N -0.132 121.047 121.223 -0.072 0.000 2.417 330 L HA 0.123 4.463 4.340 0.000 0.000 0.268 330 L C -0.273 176.511 176.870 -0.143 0.000 1.158 330 L CA 0.744 55.518 54.840 -0.109 0.000 0.819 330 L CB 1.728 43.756 42.059 -0.052 0.000 1.112 330 L HN -0.215 nan 8.230 nan 0.000 0.458 331 S N 2.606 118.175 115.700 -0.218 0.000 2.062 331 S HA 0.343 4.813 4.470 0.000 0.000 0.163 331 S C -0.548 173.971 174.600 -0.134 0.000 1.612 331 S CA -0.366 57.724 58.200 -0.184 0.000 1.251 331 S CB 0.297 63.304 63.200 -0.322 0.000 1.174 331 S HN 0.652 nan 8.310 nan 0.000 0.428 332 S N 2.504 118.101 115.700 -0.172 0.000 2.500 332 S HA 0.693 5.163 4.470 0.000 0.000 0.301 332 S C -2.718 171.621 174.600 -0.434 0.000 1.092 332 S CA -1.566 56.467 58.200 -0.278 0.000 1.030 332 S CB 0.622 63.624 63.200 -0.331 0.000 1.031 332 S HN 0.203 nan 8.310 nan 0.000 0.483 333 P HA 0.198 nan 4.420 nan 0.000 0.269 333 P C -0.301 176.953 177.300 -0.077 0.000 1.209 333 P CA -0.291 62.697 63.100 -0.187 0.000 0.776 333 P CB 0.302 31.934 31.700 -0.113 0.000 0.876 334 I N 1.187 121.743 120.570 -0.024 0.000 2.692 334 I HA 0.303 4.473 4.170 0.000 0.000 0.284 334 I C 0.797 176.956 176.117 0.070 0.000 1.159 334 I CA 1.132 62.468 61.300 0.061 0.000 1.423 334 I CB -0.362 37.700 38.000 0.103 0.000 1.380 334 I HN 0.704 nan 8.210 nan 0.000 0.580 335 G N 5.893 114.761 108.800 0.113 0.000 2.757 335 G HA2 -0.214 3.746 3.960 0.000 0.000 0.686 335 G HA3 -0.214 3.746 3.960 0.000 0.000 0.686 335 G C -0.530 174.395 174.900 0.041 0.000 1.452 335 G CA -0.702 44.439 45.100 0.068 0.000 0.922 335 G HN 0.721 nan 8.290 nan 0.000 0.588 336 L N 0.333 121.569 121.223 0.022 0.000 2.479 336 L HA 0.226 4.566 4.340 0.000 0.000 0.270 336 L C 1.027 177.901 176.870 0.006 0.000 1.236 336 L CA 0.094 54.940 54.840 0.010 0.000 0.823 336 L CB 0.333 42.388 42.059 -0.006 0.000 1.098 336 L HN 0.770 nan 8.230 nan 0.000 0.500 337 D N 1.344 121.746 120.400 0.003 0.000 2.422 337 D HA 0.168 4.808 4.640 0.000 0.000 0.227 337 D C 0.188 176.487 176.300 -0.001 0.000 1.190 337 D CA -0.104 53.897 54.000 0.001 0.000 0.905 337 D CB 0.787 41.588 40.800 0.003 0.000 1.034 337 D HN 0.184 nan 8.370 nan 0.000 0.507 338 L N 2.710 123.932 121.223 -0.002 0.000 2.638 338 L HA 0.381 4.721 4.340 0.000 0.000 0.232 338 L C 2.031 178.899 176.870 -0.003 0.000 1.099 338 L CA 0.741 55.579 54.840 -0.004 0.000 0.883 338 L CB -0.178 41.878 42.059 -0.004 0.000 1.136 338 L HN 0.764 nan 8.230 nan 0.000 0.492 339 G N -0.899 107.899 108.800 -0.003 0.000 2.176 339 G HA2 -0.223 3.737 3.960 0.000 0.000 0.253 339 G HA3 -0.223 3.737 3.960 0.000 0.000 0.253 339 G C 0.848 175.745 174.900 -0.005 0.000 0.979 339 G CA -0.036 45.062 45.100 -0.004 0.000 0.641 339 G HN 0.655 nan 8.290 nan 0.000 0.530 340 G N -0.696 108.103 108.800 -0.001 0.000 2.391 340 G HA2 0.526 4.486 3.960 0.000 0.000 0.234 340 G HA3 0.526 4.486 3.960 0.000 0.000 0.234 340 G C 0.730 175.629 174.900 -0.003 0.000 1.284 340 G CA 1.278 46.379 45.100 0.002 0.000 0.873 340 G HN 1.443 nan 8.290 nan 0.000 0.549 341 R N 1.140 121.639 120.500 -0.002 0.000 2.098 341 R HA 0.353 4.693 4.340 0.000 0.000 0.203 341 R C 1.699 177.999 176.300 0.000 0.000 1.166 341 R CA 1.279 57.374 56.100 -0.008 0.000 1.090 341 R CB -0.926 29.370 30.300 -0.008 0.000 0.992 341 R HN 0.707 nan 8.270 nan 0.000 0.477 342 T N 1.405 115.967 114.554 0.013 0.000 2.932 342 T HA 0.154 4.504 4.350 0.000 0.000 0.312 342 T C -1.586 173.161 174.700 0.078 0.000 1.071 342 T CA -1.023 61.096 62.100 0.032 0.000 1.128 342 T CB 1.338 70.220 68.868 0.023 0.000 0.984 342 T HN 0.241 nan 8.240 nan 0.000 0.549 343 P HA -0.119 nan 4.420 nan 0.000 0.216 343 P C 0.978 178.427 177.300 0.248 0.000 1.150 343 P CA 1.270 64.574 63.100 0.340 0.000 0.843 343 P CB 0.266 32.191 31.700 0.375 0.000 0.787 344 E N 0.195 120.452 120.200 0.096 0.000 2.106 344 E HA -0.153 4.197 4.350 0.000 0.000 0.192 344 E C 2.037 178.650 176.600 0.022 0.000 0.984 344 E CA 1.108 57.520 56.400 0.021 0.000 0.806 344 E CB -0.674 29.019 29.700 -0.013 0.000 0.750 344 E HN 0.466 nan 8.360 nan 0.000 0.458 345 E N -0.352 119.871 120.200 0.038 0.000 2.150 345 E HA -0.105 4.245 4.350 0.000 0.000 0.193 345 E C 1.831 178.461 176.600 0.051 0.000 0.985 345 E CA 1.469 57.884 56.400 0.026 0.000 0.814 345 E CB -0.068 29.644 29.700 0.019 0.000 0.752 345 E HN 0.216 nan 8.360 nan 0.000 0.466 346 T N 1.134 115.756 114.554 0.113 0.000 2.737 346 T HA -0.144 4.206 4.350 0.000 0.000 0.265 346 T C 2.148 176.948 174.700 0.166 0.000 1.038 346 T CA 1.186 63.390 62.100 0.172 0.000 1.144 346 T CB -0.309 68.739 68.868 0.299 0.000 0.866 346 T HN 0.248 nan 8.240 nan 0.000 0.434 347 A N 1.228 124.120 122.820 0.119 0.000 1.908 347 A HA -0.055 4.265 4.320 0.000 0.000 0.218 347 A C 2.618 180.188 177.584 -0.023 0.000 1.181 347 A CA 1.468 53.498 52.037 -0.011 0.000 0.627 347 A CB -1.130 17.792 19.000 -0.130 0.000 0.818 347 A HN 0.354 nan 8.150 nan 0.000 0.445 348 V N -0.378 119.523 119.914 -0.022 0.000 2.343 348 V HA -0.220 3.901 4.120 0.000 0.000 0.247 348 V C 2.790 178.871 176.094 -0.021 0.000 1.051 348 V CA 2.258 64.538 62.300 -0.032 0.000 1.036 348 V CB -0.879 30.921 31.823 -0.040 0.000 0.654 348 V HN 0.677 nan 8.190 nan 0.000 0.451 349 S N -0.299 115.401 115.700 0.001 0.000 2.370 349 S HA -0.200 4.270 4.470 0.000 0.000 0.226 349 S C 1.897 176.492 174.600 -0.007 0.000 1.033 349 S CA 1.953 60.154 58.200 0.003 0.000 1.011 349 S CB -0.364 62.850 63.200 0.023 0.000 0.852 349 S HN 0.508 nan 8.310 nan 0.000 0.457 350 I N 1.528 122.098 120.570 -0.000 0.000 2.163 350 I HA -0.124 4.046 4.170 0.000 0.000 0.240 350 I C 2.836 178.876 176.117 -0.128 0.000 1.081 350 I CA 1.131 62.412 61.300 -0.032 0.000 1.353 350 I CB -0.599 37.403 38.000 0.003 0.000 1.054 350 I HN 0.377 nan 8.210 nan 0.000 0.407 351 A N 0.721 123.476 122.820 -0.109 0.000 1.958 351 A HA -0.284 4.036 4.320 0.000 0.000 0.221 351 A C 2.500 180.019 177.584 -0.109 0.000 1.178 351 A CA 2.225 54.192 52.037 -0.116 0.000 0.642 351 A CB -1.014 17.958 19.000 -0.045 0.000 0.816 351 A HN 0.478 nan 8.150 nan 0.000 0.453 352 A N -0.792 121.981 122.820 -0.079 0.000 1.902 352 A HA -0.185 4.135 4.320 0.000 0.000 0.217 352 A C 2.063 179.589 177.584 -0.096 0.000 1.181 352 A CA 1.794 53.787 52.037 -0.074 0.000 0.623 352 A CB -0.478 18.491 19.000 -0.051 0.000 0.818 352 A HN 0.675 nan 8.150 nan 0.000 0.443 353 E N -0.444 119.700 120.200 -0.095 0.000 2.107 353 E HA -0.106 4.244 4.350 0.000 0.000 0.191 353 E C 1.879 178.394 176.600 -0.143 0.000 0.982 353 E CA 0.773 57.133 56.400 -0.067 0.000 0.809 353 E CB -0.167 29.549 29.700 0.027 0.000 0.756 353 E HN 0.651 nan 8.360 nan 0.000 0.459 354 I N 0.968 121.326 120.570 -0.354 0.000 2.163 354 I HA -0.320 3.850 4.170 0.000 0.000 0.243 354 I C 2.258 178.269 176.117 -0.176 0.000 1.085 354 I CA 1.162 62.171 61.300 -0.485 0.000 1.347 354 I CB -0.132 37.518 38.000 -0.583 0.000 1.044 354 I HN 0.205 nan 8.210 nan 0.000 0.408 355 I N 0.249 120.740 120.570 -0.131 0.000 2.394 355 I HA -0.253 3.917 4.170 0.000 0.000 0.251 355 I C 2.696 178.725 176.117 -0.145 0.000 1.136 355 I CA 1.095 62.340 61.300 -0.092 0.000 1.425 355 I CB -0.496 37.452 38.000 -0.087 0.000 1.079 355 I HN 0.186 nan 8.210 nan 0.000 0.425 356 A N 1.269 123.987 122.820 -0.170 0.000 1.855 356 A HA -0.188 4.132 4.320 0.000 0.000 0.215 356 A C 2.344 179.865 177.584 -0.105 0.000 1.191 356 A CA 1.493 53.376 52.037 -0.257 0.000 0.613 356 A CB -0.421 18.469 19.000 -0.184 0.000 0.829 356 A HN 0.284 nan 8.150 nan 0.000 0.442 357 K N -0.690 119.737 120.400 0.045 0.000 2.097 357 K HA -0.144 4.176 4.320 0.000 0.000 0.206 357 K C 2.287 179.012 176.600 0.209 0.000 1.049 357 K CA 1.222 57.611 56.287 0.169 0.000 0.933 357 K CB -0.239 32.398 32.500 0.227 0.000 0.717 357 K HN 0.431 nan 8.250 nan 0.000 0.442 358 R N 0.673 121.264 120.500 0.151 0.000 2.152 358 R HA -0.156 4.184 4.340 0.000 0.000 0.232 358 R C 0.339 176.792 176.300 0.254 0.000 1.117 358 R CA 0.434 56.636 56.100 0.170 0.000 0.981 358 R CB -0.088 30.281 30.300 0.115 0.000 0.870 358 R HN 0.244 nan 8.270 nan 0.000 0.451 359 W N 0.000 121.325 121.300 0.041 0.000 2.388 359 W HA 0.000 4.660 4.660 0.000 0.000 0.303 359 W CA 0.000 57.363 57.345 0.030 0.000 1.226 359 W CB 0.000 29.477 29.460 0.028 0.000 1.126 359 W HN 0.000 nan 8.180 nan 0.000 0.535