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 2eq8_1_E DATA FIRST_RESID 7 DATA SEQUENCE MKTYDLIVIG TGPGGYHAAI RAAQLGLKVL AVEAGEVGGV cLNVGcIPTK DATA SEQUENCE ALLHAAETLH HLKVAEGFGL KAXKPELDLK KLGGWRDQVV KKLTGGVGTL DATA SEQUENCE LKGNGVELLR GFARLVGPKE VEVXXXXGGE RYGAKSLILA TGSEPLELKG DATA SEQUENCE FPFGEDVWDS TRALKVEGLP KRLLVIGGGA VGLELGQVYR RLGAEVTLIE DATA SEQUENCE YMPEILPQGD PETAALLRRA LEKEGIRVRT KTKAVGYEKK KDGLHVRLEE DATA SEQUENCE GGEGEEVVVD KVLVAVGRKP RTEGLGLEKA GVKVDERGFI RVNARMETSV DATA SEQUENCE PGVYAIGDAA RPPLLAHKAM REGLIAAENA AGKDSAFDYX QVPSVVYTSP DATA SEQUENCE EWAGVGLTEE EAKRAGYKVK VGKFPLAASG RALTLGGAEG MVKVVGDEET DATA SEQUENCE DLLLGVFIVG PQAGELIAEA ALALEMGATL TDLALTVHPH PTLSESLMEA DATA SEQUENCE AEAFHKQAIH ILN 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 7 M HA 0.000 nan 4.480 nan 0.000 0.227 7 M C 0.000 176.221 176.300 -0.131 0.000 1.140 7 M CA 0.000 55.222 55.300 -0.130 0.000 0.988 7 M CB 0.000 32.560 32.600 -0.066 0.000 1.302 8 K N 1.894 122.183 120.400 -0.185 0.000 2.205 8 K HA 0.723 5.043 4.320 -0.000 0.000 0.279 8 K C 0.349 176.929 176.600 -0.034 0.000 1.027 8 K CA -0.082 56.131 56.287 -0.124 0.000 0.932 8 K CB 1.046 33.529 32.500 -0.027 0.000 1.032 8 K HN 0.630 nan 8.250 nan 0.000 0.466 9 T N -0.575 113.849 114.554 -0.216 0.000 2.885 9 T HA 0.715 5.065 4.350 -0.000 0.000 0.285 9 T C -0.851 173.624 174.700 -0.375 0.000 1.019 9 T CA -0.720 61.313 62.100 -0.112 0.000 1.010 9 T CB 0.580 69.412 68.868 -0.061 0.000 1.022 9 T HN 0.350 nan 8.240 nan 0.000 0.466 10 Y N -0.499 119.838 120.300 0.061 0.000 2.644 10 Y HA 0.416 4.966 4.550 -0.000 0.000 0.338 10 Y C 0.829 176.754 175.900 0.042 0.000 1.119 10 Y CA -1.351 56.780 58.100 0.051 0.000 1.060 10 Y CB 1.151 39.646 38.460 0.058 0.000 1.294 10 Y HN 0.549 nan 8.280 nan 0.000 0.472 11 D N 0.301 120.824 120.400 0.204 0.000 2.149 11 D HA 0.007 4.647 4.640 -0.000 0.000 0.201 11 D C -0.246 176.127 176.300 0.121 0.000 0.972 11 D CA 1.557 55.632 54.000 0.124 0.000 0.835 11 D CB 0.461 41.314 40.800 0.089 0.000 0.966 11 D HN 0.263 nan 8.370 nan 0.000 0.476 12 L N -0.142 121.158 121.223 0.127 0.000 2.472 12 L HA 0.447 4.787 4.340 -0.000 0.000 0.260 12 L C -1.850 175.031 176.870 0.018 0.000 0.963 12 L CA -0.597 54.286 54.840 0.072 0.000 0.829 12 L CB 2.409 44.489 42.059 0.035 0.000 1.348 12 L HN -0.239 nan 8.230 nan 0.000 0.408 13 I N 4.807 125.372 120.570 -0.008 0.000 2.447 13 I HA 0.513 4.683 4.170 -0.000 0.000 0.287 13 I C -0.967 175.108 176.117 -0.071 0.000 1.023 13 I CA -0.885 60.358 61.300 -0.095 0.000 1.083 13 I CB 2.048 39.999 38.000 -0.082 0.000 1.245 13 I HN 0.305 nan 8.210 nan 0.000 0.434 14 V N 7.301 127.155 119.914 -0.099 0.000 2.398 14 V HA 0.441 4.561 4.120 -0.000 0.000 0.286 14 V C 0.099 176.134 176.094 -0.098 0.000 1.026 14 V CA -0.498 61.760 62.300 -0.070 0.000 0.868 14 V CB 1.881 33.674 31.823 -0.050 0.000 0.982 14 V HN 0.468 nan 8.190 nan 0.000 0.443 15 I N 4.594 125.110 120.570 -0.090 0.000 2.307 15 I HA 0.719 4.888 4.170 -0.000 0.000 0.289 15 I C 0.673 176.729 176.117 -0.100 0.000 1.021 15 I CA -0.019 61.206 61.300 -0.125 0.000 1.224 15 I CB 1.138 39.050 38.000 -0.147 0.000 1.376 15 I HN 0.892 nan 8.210 nan 0.000 0.470 16 G N 3.444 112.187 108.800 -0.094 0.000 2.885 16 G HA2 -0.085 3.875 3.960 -0.000 0.000 0.685 16 G HA3 -0.085 3.875 3.960 -0.000 0.000 0.685 16 G C -0.141 174.753 174.900 -0.010 0.000 1.216 16 G CA -0.345 44.722 45.100 -0.056 0.000 0.790 16 G HN 0.718 nan 8.290 nan 0.000 0.631 17 T N -0.115 114.453 114.554 0.024 0.000 3.355 17 T HA 0.645 4.995 4.350 -0.000 0.000 0.276 17 T C 1.201 176.023 174.700 0.203 0.000 1.003 17 T CA 0.886 63.048 62.100 0.103 0.000 0.943 17 T CB 0.655 69.561 68.868 0.064 0.000 1.158 17 T HN 1.717 nan 8.240 nan 0.000 0.513 18 G N 1.998 110.871 108.800 0.123 0.000 2.535 18 G HA2 0.481 4.441 3.960 -0.000 0.000 0.282 18 G HA3 0.481 4.441 3.960 -0.000 0.000 0.282 18 G C -1.530 173.392 174.900 0.037 0.000 1.350 18 G CA -1.718 43.457 45.100 0.126 0.000 1.039 18 G HN 0.021 nan 8.290 nan 0.000 0.509 19 P HA -0.180 nan 4.420 nan 0.000 0.217 19 P C 1.959 178.942 177.300 -0.530 0.000 1.158 19 P CA 2.225 65.049 63.100 -0.459 0.000 0.887 19 P CB 0.008 31.558 31.700 -0.250 0.000 0.792 20 G N -0.954 107.686 108.800 -0.267 0.000 2.424 20 G HA2 -0.148 3.812 3.960 -0.000 0.000 0.214 20 G HA3 -0.148 3.812 3.960 -0.000 0.000 0.214 20 G C 1.832 176.668 174.900 -0.106 0.000 1.202 20 G CA 0.879 45.869 45.100 -0.183 0.000 0.793 20 G HN 0.363 nan 8.290 nan 0.000 0.534 21 G N 0.545 109.310 108.800 -0.058 0.000 2.440 21 G HA2 -0.247 3.712 3.960 -0.000 0.000 0.218 21 G HA3 -0.247 3.712 3.960 -0.000 0.000 0.218 21 G C 1.739 176.678 174.900 0.065 0.000 1.154 21 G CA 1.448 46.548 45.100 0.001 0.000 0.767 21 G HN 0.657 nan 8.290 nan 0.000 0.552 22 Y N -0.225 120.103 120.300 0.048 0.000 2.439 22 Y HA 0.126 4.676 4.550 -0.000 0.000 0.292 22 Y C 2.366 178.286 175.900 0.033 0.000 1.130 22 Y CA 1.143 59.262 58.100 0.031 0.000 1.254 22 Y CB -0.773 37.702 38.460 0.026 0.000 1.000 22 Y HN 0.265 nan 8.280 nan 0.000 0.554 23 H N 0.589 119.551 119.070 -0.181 0.000 2.363 23 H HA 0.112 4.668 4.556 -0.000 0.000 0.301 23 H C 2.366 177.668 175.328 -0.043 0.000 1.074 23 H CA 1.569 57.548 56.048 -0.115 0.000 1.354 23 H CB -0.396 29.232 29.762 -0.223 0.000 1.397 23 H HN 0.475 nan 8.280 nan 0.000 0.516 24 A N 0.615 123.470 122.820 0.057 0.000 1.902 24 A HA -0.106 4.214 4.320 -0.000 0.000 0.217 24 A C 2.520 180.103 177.584 -0.001 0.000 1.181 24 A CA 1.690 53.732 52.037 0.008 0.000 0.623 24 A CB -1.072 17.919 19.000 -0.014 0.000 0.818 24 A HN 0.469 nan 8.150 nan 0.000 0.443 25 A N -0.027 122.803 122.820 0.017 0.000 1.877 25 A HA -0.073 4.247 4.320 -0.000 0.000 0.216 25 A C 2.147 179.733 177.584 0.004 0.000 1.186 25 A CA 1.538 53.579 52.037 0.007 0.000 0.620 25 A CB -0.614 18.396 19.000 0.017 0.000 0.822 25 A HN 0.487 nan 8.150 nan 0.000 0.443 26 I N -1.141 119.435 120.570 0.011 0.000 2.179 26 I HA -0.236 3.934 4.170 -0.000 0.000 0.242 26 I C 2.707 178.809 176.117 -0.024 0.000 1.088 26 I CA 1.701 62.994 61.300 -0.012 0.000 1.357 26 I CB -0.271 37.712 38.000 -0.027 0.000 1.051 26 I HN 0.269 nan 8.210 nan 0.000 0.409 27 R N 1.730 122.213 120.500 -0.029 0.000 2.081 27 R HA -0.108 4.232 4.340 -0.000 0.000 0.235 27 R C 2.171 178.458 176.300 -0.020 0.000 1.131 27 R CA 1.919 58.003 56.100 -0.026 0.000 0.960 27 R CB -0.880 29.409 30.300 -0.018 0.000 0.856 27 R HN 0.351 nan 8.270 nan 0.000 0.436 28 A N 0.147 122.954 122.820 -0.021 0.000 1.933 28 A HA -0.046 4.274 4.320 -0.000 0.000 0.218 28 A C 2.360 179.941 177.584 -0.006 0.000 1.175 28 A CA 1.873 53.899 52.037 -0.019 0.000 0.628 28 A CB -1.002 17.984 19.000 -0.022 0.000 0.814 28 A HN 0.479 nan 8.150 nan 0.000 0.444 29 A N -0.596 122.221 122.820 -0.004 0.000 1.898 29 A HA -0.187 4.133 4.320 -0.000 0.000 0.216 29 A C 2.080 179.663 177.584 -0.001 0.000 1.181 29 A CA 1.531 53.569 52.037 0.002 0.000 0.620 29 A CB -0.582 18.418 19.000 0.000 0.000 0.819 29 A HN 0.649 nan 8.150 nan 0.000 0.442 30 Q N -0.453 119.342 119.800 -0.009 0.000 2.226 30 Q HA -0.017 4.323 4.340 -0.000 0.000 0.204 30 Q C 1.284 177.281 176.000 -0.006 0.000 0.975 30 Q CA 0.967 56.764 55.803 -0.010 0.000 0.866 30 Q CB -0.282 28.447 28.738 -0.016 0.000 0.915 30 Q HN 0.638 nan 8.270 nan 0.000 0.440 31 L N -0.529 120.691 121.223 -0.005 0.000 2.627 31 L HA 0.177 4.517 4.340 -0.000 0.000 0.232 31 L C 0.935 177.807 176.870 0.004 0.000 1.150 31 L CA 0.282 55.120 54.840 -0.002 0.000 0.917 31 L CB -0.041 42.014 42.059 -0.006 0.000 1.104 31 L HN 0.401 nan 8.230 nan 0.000 0.445 32 G N 0.029 108.833 108.800 0.006 0.000 2.157 32 G HA2 -0.244 3.716 3.960 -0.000 0.000 0.248 32 G HA3 -0.244 3.716 3.960 -0.000 0.000 0.248 32 G C 0.205 175.117 174.900 0.019 0.000 0.979 32 G CA -0.297 44.809 45.100 0.011 0.000 0.650 32 G HN 0.215 nan 8.290 nan 0.000 0.529 33 L N -0.045 121.191 121.223 0.021 0.000 2.399 33 L HA 0.454 4.794 4.340 -0.000 0.000 0.266 33 L C 0.725 177.626 176.870 0.052 0.000 1.114 33 L CA -0.554 54.307 54.840 0.035 0.000 0.804 33 L CB 0.958 43.036 42.059 0.030 0.000 1.146 33 L HN 0.006 nan 8.230 nan 0.000 0.451 34 K N 2.000 122.447 120.400 0.079 0.000 2.267 34 K HA 0.409 4.729 4.320 -0.000 0.000 0.282 34 K C -0.945 175.759 176.600 0.173 0.000 1.078 34 K CA -0.313 56.049 56.287 0.125 0.000 0.903 34 K CB 1.230 33.806 32.500 0.127 0.000 1.111 34 K HN 0.260 nan 8.250 nan 0.000 0.475 35 V N 4.263 124.247 119.914 0.117 0.000 2.581 35 V HA 0.415 4.535 4.120 -0.000 0.000 0.303 35 V C -0.724 175.319 176.094 -0.085 0.000 1.041 35 V CA -1.088 61.230 62.300 0.031 0.000 0.907 35 V CB 1.654 33.475 31.823 -0.004 0.000 0.994 35 V HN 0.521 nan 8.190 nan 0.000 0.442 36 L N 3.811 124.853 121.223 -0.301 0.000 2.356 36 L HA 0.916 5.256 4.340 -0.000 0.000 0.277 36 L C -0.106 176.583 176.870 -0.301 0.000 0.996 36 L CA -0.236 54.303 54.840 -0.502 0.000 0.822 36 L CB 1.409 42.784 42.059 -1.140 0.000 1.256 36 L HN 0.780 nan 8.230 nan 0.000 0.413 37 A N 5.034 127.723 122.820 -0.219 0.000 2.331 37 A HA 0.803 5.122 4.320 -0.000 0.000 0.320 37 A C -1.252 176.226 177.584 -0.176 0.000 1.138 37 A CA -0.545 51.399 52.037 -0.154 0.000 0.790 37 A CB 1.356 20.305 19.000 -0.085 0.000 1.206 37 A HN 0.524 nan 8.150 nan 0.000 0.470 38 V N 1.910 121.718 119.914 -0.177 0.000 2.459 38 V HA 0.637 4.757 4.120 -0.000 0.000 0.295 38 V C -0.413 175.601 176.094 -0.134 0.000 1.029 38 V CA -0.494 61.695 62.300 -0.186 0.000 0.874 38 V CB 1.529 33.206 31.823 -0.243 0.000 0.985 38 V HN 0.973 nan 8.190 nan 0.000 0.438 39 E N 3.075 123.213 120.200 -0.103 0.000 2.260 39 E HA 0.697 5.047 4.350 -0.000 0.000 0.266 39 E C 0.247 176.825 176.600 -0.037 0.000 0.887 39 E CA -0.071 56.290 56.400 -0.065 0.000 0.777 39 E CB 1.831 31.506 29.700 -0.041 0.000 1.205 39 E HN 0.640 nan 8.360 nan 0.000 0.414 40 A N 3.233 126.044 122.820 -0.014 0.000 2.021 40 A HA 0.368 4.688 4.320 -0.000 0.000 0.216 40 A C 1.142 178.766 177.584 0.067 0.000 1.163 40 A CA 1.320 53.401 52.037 0.073 0.000 0.676 40 A CB -0.101 19.032 19.000 0.221 0.000 0.818 40 A HN 0.606 nan 8.150 nan 0.000 0.453 41 G N -1.082 107.740 108.800 0.037 0.000 3.407 41 G HA2 0.459 4.419 3.960 -0.000 0.000 0.187 41 G HA3 0.459 4.419 3.960 -0.000 0.000 0.187 41 G C -0.833 174.068 174.900 0.003 0.000 1.262 41 G CA -0.338 44.776 45.100 0.022 0.000 0.808 41 G HN 0.077 nan 8.290 nan 0.000 0.687 42 E N 0.655 120.853 120.200 -0.004 0.000 2.313 42 E HA 0.367 4.717 4.350 -0.000 0.000 0.276 42 E C 0.034 176.626 176.600 -0.013 0.000 1.031 42 E CA -0.335 56.056 56.400 -0.015 0.000 0.857 42 E CB 1.882 31.569 29.700 -0.022 0.000 1.040 42 E HN 0.083 nan 8.360 nan 0.000 0.408 43 V N 2.154 122.053 119.914 -0.024 0.000 2.673 43 V HA 0.243 4.363 4.120 -0.000 0.000 0.303 43 V C 1.509 177.591 176.094 -0.020 0.000 1.046 43 V CA 1.655 63.939 62.300 -0.026 0.000 1.126 43 V CB 0.644 32.435 31.823 -0.053 0.000 0.934 43 V HN 1.018 nan 8.190 nan 0.000 0.487 44 G N 2.686 111.501 108.800 0.024 0.000 2.201 44 G HA2 0.133 4.093 3.960 -0.000 0.000 0.212 44 G HA3 0.133 4.093 3.960 -0.000 0.000 0.212 44 G C 0.890 175.858 174.900 0.112 0.000 0.994 44 G CA 0.118 45.261 45.100 0.073 0.000 0.644 44 G HN 2.258 nan 8.290 nan 0.000 0.508 45 G N -1.364 107.475 108.800 0.065 0.000 2.645 45 G HA2 -0.022 3.938 3.960 -0.000 0.000 0.246 45 G HA3 -0.022 3.938 3.960 -0.000 0.000 0.246 45 G C 1.085 175.998 174.900 0.020 0.000 1.322 45 G CA 0.868 45.993 45.100 0.042 0.000 0.898 45 G HN 1.272 nan 8.290 nan 0.000 0.573 46 V N -0.013 119.907 119.914 0.010 0.000 2.261 46 V HA -0.240 3.879 4.120 -0.000 0.000 0.246 46 V C 3.175 179.266 176.094 -0.006 0.000 1.047 46 V CA 2.954 65.252 62.300 -0.004 0.000 1.015 46 V CB -1.056 30.763 31.823 -0.007 0.000 0.642 46 V HN 1.147 nan 8.190 nan 0.000 0.446 47 c N -0.096 118.506 118.600 0.004 0.000 2.385 47 c HA -0.206 4.364 4.570 -0.000 0.000 0.275 47 c C 2.543 176.630 174.090 -0.005 0.000 1.207 47 c CA 1.583 57.913 56.329 0.001 0.000 1.760 47 c CB -1.080 41.439 42.510 0.015 0.000 2.051 47 c HN 0.532 nan 8.230 nan 0.000 0.467 48 L N 1.056 122.289 121.223 0.016 0.000 2.179 48 L HA 0.042 4.382 4.340 -0.000 0.000 0.208 48 L C 2.408 179.255 176.870 -0.039 0.000 1.096 48 L CA 1.583 56.419 54.840 -0.006 0.000 0.779 48 L CB -0.782 41.287 42.059 0.016 0.000 0.922 48 L HN 0.449 nan 8.230 nan 0.000 0.443 49 N N -0.734 117.947 118.700 -0.031 0.000 2.349 49 N HA 0.041 4.781 4.740 -0.000 0.000 0.180 49 N C 1.111 176.589 175.510 -0.053 0.000 1.024 49 N CA 1.603 54.626 53.050 -0.045 0.000 0.869 49 N CB 0.771 39.237 38.487 -0.035 0.000 1.022 49 N HN 0.285 nan 8.380 nan 0.000 0.433 50 V N -3.168 116.719 119.914 -0.045 0.000 3.172 50 V HA 0.617 4.737 4.120 -0.000 0.000 0.343 50 V C 0.603 176.673 176.094 -0.040 0.000 1.429 50 V CA -0.160 62.110 62.300 -0.049 0.000 1.149 50 V CB 0.541 32.332 31.823 -0.054 0.000 1.106 50 V HN 0.130 nan 8.190 nan 0.000 0.526 51 G N -0.162 108.615 108.800 -0.037 0.000 3.244 51 G HA2 0.183 4.143 3.960 -0.000 0.000 0.197 51 G HA3 0.183 4.143 3.960 -0.000 0.000 0.197 51 G C 1.042 175.915 174.900 -0.046 0.000 1.531 51 G CA 0.719 45.801 45.100 -0.030 0.000 0.747 51 G HN 0.254 nan 8.290 nan 0.000 0.763 52 c N 0.963 119.532 118.600 -0.052 0.000 2.336 52 c HA -0.130 4.440 4.570 -0.000 0.000 0.275 52 c C 2.802 176.811 174.090 -0.135 0.000 1.175 52 c CA 0.731 56.999 56.329 -0.101 0.000 1.771 52 c CB -1.282 41.179 42.510 -0.082 0.000 2.030 52 c HN 0.418 nan 8.230 nan 0.000 0.442 53 I N 2.317 122.823 120.570 -0.106 0.000 2.076 53 I HA -0.133 4.037 4.170 -0.000 0.000 0.237 53 I C 0.161 176.195 176.117 -0.140 0.000 1.059 53 I CA 1.976 63.201 61.300 -0.124 0.000 1.317 53 I CB -2.886 35.049 38.000 -0.108 0.000 1.037 53 I HN 0.274 nan 8.210 nan 0.000 0.398 54 P HA -0.112 nan 4.420 nan 0.000 0.218 54 P C 1.618 178.873 177.300 -0.075 0.000 1.149 54 P CA 1.660 64.687 63.100 -0.121 0.000 0.817 54 P CB -0.267 31.375 31.700 -0.096 0.000 0.785 55 T N 0.157 114.676 114.554 -0.058 0.000 2.777 55 T HA -0.094 4.256 4.350 -0.000 0.000 0.266 55 T C 1.869 176.557 174.700 -0.020 0.000 1.040 55 T CA 1.542 63.629 62.100 -0.022 0.000 1.141 55 T CB -0.387 68.470 68.868 -0.018 0.000 0.868 55 T HN 0.089 nan 8.240 nan 0.000 0.444 56 K N 1.351 121.699 120.400 -0.087 0.000 2.097 56 K HA 0.184 4.504 4.320 -0.000 0.000 0.205 56 K C 2.370 179.005 176.600 0.059 0.000 1.050 56 K CA 0.994 57.238 56.287 -0.072 0.000 0.938 56 K CB -0.605 31.771 32.500 -0.207 0.000 0.718 56 K HN 0.304 nan 8.250 nan 0.000 0.442 57 A N 0.697 123.521 122.820 0.006 0.000 1.858 57 A HA -0.161 4.159 4.320 -0.000 0.000 0.216 57 A C 2.120 179.896 177.584 0.320 0.000 1.190 57 A CA 1.474 53.556 52.037 0.075 0.000 0.617 57 A CB -0.787 18.002 19.000 -0.352 0.000 0.827 57 A HN 0.210 nan 8.150 nan 0.000 0.443 58 L N -0.729 120.595 121.223 0.168 0.000 2.012 58 L HA -0.207 4.133 4.340 -0.000 0.000 0.210 58 L C 2.615 179.577 176.870 0.152 0.000 1.073 58 L CA 1.242 56.180 54.840 0.162 0.000 0.748 58 L CB -0.611 41.490 42.059 0.070 0.000 0.891 58 L HN 0.374 nan 8.230 nan 0.000 0.431 59 L N -0.960 120.348 121.223 0.141 0.000 2.079 59 L HA -0.275 4.065 4.340 -0.000 0.000 0.210 59 L C 2.671 179.642 176.870 0.167 0.000 1.081 59 L CA 1.271 56.194 54.840 0.139 0.000 0.752 59 L CB -0.639 41.510 42.059 0.151 0.000 0.896 59 L HN 0.342 nan 8.230 nan 0.000 0.433 60 H N -0.140 119.021 119.070 0.153 0.000 2.357 60 H HA -0.089 4.467 4.556 -0.000 0.000 0.301 60 H C 2.102 177.495 175.328 0.107 0.000 1.082 60 H CA 1.416 57.554 56.048 0.150 0.000 1.342 60 H CB 0.102 29.992 29.762 0.214 0.000 1.389 60 H HN 0.259 nan 8.280 nan 0.000 0.511 61 A N 0.720 123.552 122.820 0.021 0.000 1.930 61 A HA -0.003 4.317 4.320 -0.000 0.000 0.217 61 A C 2.574 180.106 177.584 -0.087 0.000 1.175 61 A CA 1.536 53.509 52.037 -0.107 0.000 0.627 61 A CB -1.215 17.803 19.000 0.031 0.000 0.815 61 A HN 0.605 nan 8.150 nan 0.000 0.443 62 A N -0.222 122.591 122.820 -0.012 0.000 1.930 62 A HA -0.092 4.228 4.320 -0.000 0.000 0.217 62 A C 1.965 179.567 177.584 0.030 0.000 1.175 62 A CA 2.025 54.066 52.037 0.007 0.000 0.627 62 A CB -0.400 18.611 19.000 0.019 0.000 0.815 62 A HN 0.536 nan 8.150 nan 0.000 0.443 63 E N -0.044 120.163 120.200 0.012 0.000 2.106 63 E HA -0.106 4.244 4.350 -0.000 0.000 0.192 63 E C 1.903 178.527 176.600 0.041 0.000 0.984 63 E CA 2.014 58.449 56.400 0.059 0.000 0.806 63 E CB -0.692 29.037 29.700 0.048 0.000 0.750 63 E HN 0.463 nan 8.360 nan 0.000 0.458 64 T N 1.082 115.566 114.554 -0.117 0.000 2.746 64 T HA -0.139 4.211 4.350 -0.000 0.000 0.267 64 T C 1.673 176.365 174.700 -0.012 0.000 1.039 64 T CA 1.301 63.333 62.100 -0.112 0.000 1.142 64 T CB -0.365 68.337 68.868 -0.276 0.000 0.866 64 T HN 0.170 nan 8.240 nan 0.000 0.444 65 L N 0.702 121.917 121.223 -0.014 0.000 2.005 65 L HA -0.020 4.320 4.340 -0.000 0.000 0.207 65 L C 2.314 179.210 176.870 0.044 0.000 1.072 65 L CA 2.056 56.899 54.840 0.005 0.000 0.744 65 L CB -0.917 41.145 42.059 0.003 0.000 0.895 65 L HN 0.315 nan 8.230 nan 0.000 0.433 66 H N -1.683 117.389 119.070 0.004 0.000 2.352 66 H HA -0.253 4.303 4.556 -0.000 0.000 0.299 66 H C 2.205 177.558 175.328 0.042 0.000 1.097 66 H CA 2.204 58.264 56.048 0.021 0.000 1.311 66 H CB -0.214 29.571 29.762 0.037 0.000 1.377 66 H HN 0.624 nan 8.280 nan 0.000 0.504 67 H N -0.124 118.905 119.070 -0.068 0.000 2.489 67 H HA -0.035 4.520 4.556 -0.001 0.000 0.293 67 H C 2.051 177.282 175.328 -0.162 0.000 1.066 67 H CA 1.223 57.207 56.048 -0.107 0.000 1.305 67 H CB -0.273 29.498 29.762 0.016 0.000 1.386 67 H HN 0.399 nan 8.280 nan 0.000 0.551 68 L N -0.079 121.042 121.223 -0.169 0.000 2.191 68 L HA -0.185 4.155 4.340 -0.000 0.000 0.212 68 L C 2.282 178.959 176.870 -0.321 0.000 1.103 68 L CA 1.245 55.948 54.840 -0.227 0.000 0.769 68 L CB -0.260 41.724 42.059 -0.125 0.000 0.908 68 L HN 0.309 nan 8.230 nan 0.000 0.438 69 K N -0.439 119.760 120.400 -0.336 0.000 2.057 69 K HA -0.105 4.215 4.320 -0.000 0.000 0.206 69 K C 2.075 178.456 176.600 -0.364 0.000 1.050 69 K CA 1.063 57.162 56.287 -0.313 0.000 0.935 69 K CB -0.194 32.122 32.500 -0.307 0.000 0.715 69 K HN 0.115 nan 8.250 nan 0.000 0.439 70 V N 1.527 121.166 119.914 -0.458 0.000 2.379 70 V HA -0.187 3.933 4.120 -0.000 0.000 0.245 70 V C 2.347 178.029 176.094 -0.687 0.000 1.044 70 V CA 1.832 63.864 62.300 -0.447 0.000 1.036 70 V CB -0.546 31.044 31.823 -0.388 0.000 0.664 70 V HN 0.327 nan 8.190 nan 0.000 0.453 71 A N -0.467 121.781 122.820 -0.954 0.000 2.024 71 A HA -0.309 4.011 4.320 -0.000 0.000 0.220 71 A C 2.219 179.091 177.584 -1.186 0.000 1.164 71 A CA 2.084 53.185 52.037 -1.561 0.000 0.643 71 A CB -0.551 17.954 19.000 -0.824 0.000 0.806 71 A HN 0.647 nan 8.150 nan 0.000 0.451 72 E N -0.551 119.276 120.200 -0.622 0.000 2.160 72 E HA -0.148 4.202 4.350 -0.000 0.000 0.195 72 E C 2.005 178.399 176.600 -0.344 0.000 0.991 72 E CA 0.934 57.109 56.400 -0.375 0.000 0.810 72 E CB -0.413 29.136 29.700 -0.253 0.000 0.742 72 E HN 0.565 nan 8.360 nan 0.000 0.466 73 G N 0.598 109.159 108.800 -0.399 0.000 2.462 73 G HA2 -0.240 3.720 3.960 -0.000 0.000 0.220 73 G HA3 -0.240 3.720 3.960 -0.000 0.000 0.220 73 G C 0.923 175.758 174.900 -0.108 0.000 1.121 73 G CA 0.853 45.818 45.100 -0.225 0.000 0.758 73 G HN 0.410 nan 8.290 nan 0.000 0.559 74 F N -1.077 118.840 119.950 -0.055 0.000 2.750 74 F HA 0.589 5.116 4.527 0.000 0.000 0.297 74 F C 1.272 177.054 175.800 -0.030 0.000 1.138 74 F CA -1.640 56.339 58.000 -0.035 0.000 1.346 74 F CB -0.091 38.893 39.000 -0.025 0.000 0.965 74 F HN 0.130 nan 8.300 nan 0.000 0.514 75 G N 0.810 109.644 108.800 0.056 0.000 2.175 75 G HA2 -0.272 3.687 3.960 -0.000 0.000 0.244 75 G HA3 -0.272 3.687 3.960 -0.000 0.000 0.244 75 G C -0.396 174.522 174.900 0.029 0.000 0.982 75 G CA -0.063 45.069 45.100 0.054 0.000 0.641 75 G HN 0.455 nan 8.290 nan 0.000 0.527 76 L N 1.723 122.921 121.223 -0.041 0.000 2.363 76 L HA 0.681 5.021 4.340 -0.000 0.000 0.286 76 L C 0.700 177.515 176.870 -0.092 0.000 1.106 76 L CA 0.400 55.216 54.840 -0.039 0.000 0.859 76 L CB -0.314 41.709 42.059 -0.060 0.000 1.223 76 L HN 0.513 nan 8.230 nan 0.000 0.446 77 K N 3.928 124.299 120.400 -0.048 0.000 2.201 77 K HA 0.934 5.254 4.320 -0.000 0.000 0.278 77 K C -0.297 176.276 176.600 -0.045 0.000 1.027 77 K CA 0.078 56.333 56.287 -0.054 0.000 0.909 77 K CB 1.224 33.703 32.500 -0.035 0.000 1.062 77 K HN 1.111 nan 8.250 nan 0.000 0.465 81 P HA 0.337 nan 4.420 nan 0.000 0.267 81 P C -0.850 176.436 177.300 -0.024 0.000 1.205 81 P CA 0.332 63.413 63.100 -0.031 0.000 0.765 81 P CB 0.844 32.522 31.700 -0.036 0.000 0.828 82 E N 1.626 121.812 120.200 -0.023 0.000 2.265 82 E HA 0.345 4.694 4.350 -0.000 0.000 0.262 82 E C -1.160 175.428 176.600 -0.021 0.000 0.889 82 E CA -0.878 55.511 56.400 -0.018 0.000 0.789 82 E CB 1.752 31.443 29.700 -0.015 0.000 1.221 82 E HN 0.255 nan 8.360 nan 0.000 0.414 83 L N 3.579 124.791 121.223 -0.018 0.000 2.276 83 L HA 0.297 4.637 4.340 -0.000 0.000 0.286 83 L C -0.647 176.216 176.870 -0.011 0.000 1.024 83 L CA -0.388 54.440 54.840 -0.020 0.000 0.826 83 L CB 1.004 43.050 42.059 -0.021 0.000 1.211 83 L HN 0.401 nan 8.230 nan 0.000 0.422 84 D N 4.786 125.180 120.400 -0.010 0.000 2.352 84 D HA 0.076 4.716 4.640 -0.000 0.000 0.245 84 D C 1.131 177.435 176.300 0.006 0.000 1.224 84 D CA 0.080 54.080 54.000 -0.001 0.000 0.879 84 D CB 0.820 41.620 40.800 -0.000 0.000 1.057 84 D HN 0.652 nan 8.370 nan 0.000 0.491 85 L N 3.576 124.803 121.223 0.007 0.000 2.141 85 L HA -0.129 4.211 4.340 -0.000 0.000 0.209 85 L C 2.515 179.398 176.870 0.020 0.000 1.094 85 L CA 0.654 55.500 54.840 0.009 0.000 0.763 85 L CB -0.309 41.751 42.059 0.002 0.000 0.908 85 L HN 0.343 nan 8.230 nan 0.000 0.437 86 K N 1.394 121.806 120.400 0.020 0.000 2.026 86 K HA -0.229 4.091 4.320 -0.000 0.000 0.208 86 K C 2.087 178.710 176.600 0.038 0.000 1.048 86 K CA 1.671 57.972 56.287 0.023 0.000 0.929 86 K CB -0.038 32.474 32.500 0.019 0.000 0.713 86 K HN 0.166 nan 8.250 nan 0.000 0.439 87 K N 0.479 120.903 120.400 0.040 0.000 2.148 87 K HA -0.114 4.206 4.320 -0.000 0.000 0.204 87 K C 2.180 178.843 176.600 0.106 0.000 1.050 87 K CA 0.710 57.032 56.287 0.059 0.000 0.942 87 K CB -0.113 32.407 32.500 0.033 0.000 0.724 87 K HN 0.058 nan 8.250 nan 0.000 0.446 88 L N 0.428 121.708 121.223 0.095 0.000 2.027 88 L HA 0.022 4.362 4.340 -0.000 0.000 0.206 88 L C 2.069 179.055 176.870 0.193 0.000 1.074 88 L CA 2.265 57.202 54.840 0.162 0.000 0.745 88 L CB -1.072 41.047 42.059 0.098 0.000 0.898 88 L HN 0.225 nan 8.230 nan 0.000 0.433 89 G N -1.003 107.855 108.800 0.098 0.000 2.422 89 G HA2 -0.205 3.755 3.960 -0.000 0.000 0.218 89 G HA3 -0.205 3.755 3.960 -0.000 0.000 0.218 89 G C 1.516 176.451 174.900 0.059 0.000 1.146 89 G CA 0.573 45.707 45.100 0.056 0.000 0.769 89 G HN 0.607 nan 8.290 nan 0.000 0.547 90 G N -0.165 108.685 108.800 0.084 0.000 2.422 90 G HA2 -0.237 3.723 3.960 -0.000 0.000 0.218 90 G HA3 -0.237 3.723 3.960 -0.000 0.000 0.218 90 G C 1.576 176.547 174.900 0.118 0.000 1.146 90 G CA 0.970 46.117 45.100 0.079 0.000 0.769 90 G HN 0.488 nan 8.290 nan 0.000 0.547 91 W N 1.395 122.692 121.300 -0.005 0.000 2.381 91 W HA 0.031 4.691 4.660 -0.000 0.000 0.301 91 W C 2.641 179.159 176.519 -0.002 0.000 1.205 91 W CA 1.285 58.630 57.345 0.000 0.000 1.285 91 W CB -0.226 29.240 29.460 0.010 0.000 1.133 91 W HN 0.110 nan 8.180 nan 0.000 0.521 92 R N 0.466 120.876 120.500 -0.151 0.000 2.083 92 R HA -0.199 4.141 4.340 -0.000 0.000 0.237 92 R C 1.708 177.840 176.300 -0.279 0.000 1.137 92 R CA 2.310 58.203 56.100 -0.345 0.000 0.951 92 R CB -0.813 29.414 30.300 -0.122 0.000 0.851 92 R HN 0.087 nan 8.270 nan 0.000 0.434 93 D N 0.200 120.512 120.400 -0.146 0.000 2.144 93 D HA -0.203 4.437 4.640 -0.000 0.000 0.199 93 D C 1.851 178.071 176.300 -0.133 0.000 0.984 93 D CA 1.060 54.992 54.000 -0.115 0.000 0.834 93 D CB -0.258 40.506 40.800 -0.059 0.000 0.955 93 D HN 0.423 nan 8.370 nan 0.000 0.465 94 Q N 0.538 120.254 119.800 -0.140 0.000 2.084 94 Q HA -0.127 4.213 4.340 -0.000 0.000 0.202 94 Q C 2.140 178.029 176.000 -0.184 0.000 0.978 94 Q CA 1.087 56.818 55.803 -0.119 0.000 0.844 94 Q CB 0.138 28.845 28.738 -0.051 0.000 0.898 94 Q HN 0.082 nan 8.270 nan 0.000 0.426 95 V N 0.057 119.763 119.914 -0.346 0.000 2.295 95 V HA -0.257 3.863 4.120 -0.000 0.000 0.246 95 V C 2.356 178.316 176.094 -0.223 0.000 1.049 95 V CA 1.575 63.667 62.300 -0.346 0.000 1.024 95 V CB -0.505 30.963 31.823 -0.590 0.000 0.648 95 V HN 0.259 nan 8.190 nan 0.000 0.447 96 V N 0.046 119.831 119.914 -0.214 0.000 2.287 96 V HA -0.328 3.792 4.120 -0.000 0.000 0.248 96 V C 2.440 178.468 176.094 -0.110 0.000 1.053 96 V CA 2.516 64.728 62.300 -0.146 0.000 1.027 96 V CB -0.706 31.040 31.823 -0.129 0.000 0.646 96 V HN 0.583 nan 8.190 nan 0.000 0.447 97 K N -0.205 120.133 120.400 -0.103 0.000 2.097 97 K HA -0.225 4.095 4.320 -0.000 0.000 0.206 97 K C 2.381 178.936 176.600 -0.075 0.000 1.049 97 K CA 1.316 57.556 56.287 -0.078 0.000 0.933 97 K CB -0.120 32.341 32.500 -0.064 0.000 0.717 97 K HN 0.168 nan 8.250 nan 0.000 0.442 98 K N 1.092 121.444 120.400 -0.081 0.000 2.026 98 K HA -0.103 4.217 4.320 -0.000 0.000 0.208 98 K C 2.120 178.674 176.600 -0.075 0.000 1.048 98 K CA 1.335 57.581 56.287 -0.070 0.000 0.929 98 K CB -0.310 32.150 32.500 -0.067 0.000 0.713 98 K HN 0.234 nan 8.250 nan 0.000 0.439 99 L N 0.570 121.742 121.223 -0.086 0.000 2.109 99 L HA -0.138 4.202 4.340 -0.000 0.000 0.207 99 L C 2.485 179.293 176.870 -0.103 0.000 1.086 99 L CA 1.700 56.489 54.840 -0.085 0.000 0.760 99 L CB -0.787 41.226 42.059 -0.076 0.000 0.910 99 L HN 0.285 nan 8.230 nan 0.000 0.437 100 T N -3.345 111.153 114.554 -0.095 0.000 2.904 100 T HA -0.063 4.287 4.350 -0.000 0.000 0.267 100 T C 1.945 176.580 174.700 -0.109 0.000 1.059 100 T CA 0.906 62.945 62.100 -0.102 0.000 1.137 100 T CB -0.751 68.071 68.868 -0.075 0.000 0.879 100 T HN 0.355 nan 8.240 nan 0.000 0.467 101 G N 1.220 109.966 108.800 -0.089 0.000 2.422 101 G HA2 0.102 4.062 3.960 -0.000 0.000 0.218 101 G HA3 0.102 4.062 3.960 -0.000 0.000 0.218 101 G C 1.696 176.540 174.900 -0.095 0.000 1.146 101 G CA 0.579 45.631 45.100 -0.080 0.000 0.769 101 G HN 0.642 nan 8.290 nan 0.000 0.547 102 G N 0.434 109.171 108.800 -0.105 0.000 2.422 102 G HA2 -0.133 3.826 3.960 -0.000 0.000 0.218 102 G HA3 -0.133 3.826 3.960 -0.000 0.000 0.218 102 G C 1.747 176.546 174.900 -0.169 0.000 1.146 102 G CA 1.173 46.204 45.100 -0.114 0.000 0.769 102 G HN 0.319 nan 8.290 nan 0.000 0.547 103 V N 1.491 121.260 119.914 -0.241 0.000 2.358 103 V HA -0.044 4.076 4.120 -0.000 0.000 0.246 103 V C 3.131 179.079 176.094 -0.243 0.000 1.047 103 V CA 1.887 63.958 62.300 -0.381 0.000 1.035 103 V CB -0.975 30.512 31.823 -0.560 0.000 0.658 103 V HN 0.429 nan 8.190 nan 0.000 0.452 104 G N -0.308 108.393 108.800 -0.165 0.000 2.440 104 G HA2 -0.251 3.709 3.960 -0.000 0.000 0.218 104 G HA3 -0.251 3.709 3.960 -0.000 0.000 0.218 104 G C 1.696 176.540 174.900 -0.092 0.000 1.154 104 G CA 1.600 46.634 45.100 -0.110 0.000 0.767 104 G HN 0.466 nan 8.290 nan 0.000 0.552 105 T N 1.145 115.644 114.554 -0.092 0.000 2.821 105 T HA -0.053 4.297 4.350 -0.000 0.000 0.267 105 T C 2.310 176.967 174.700 -0.073 0.000 1.046 105 T CA 0.758 62.816 62.100 -0.071 0.000 1.139 105 T CB -0.139 68.690 68.868 -0.065 0.000 0.871 105 T HN 0.031 nan 8.240 nan 0.000 0.454 106 L N 0.754 121.917 121.223 -0.100 0.000 2.017 106 L HA 0.071 4.410 4.340 -0.000 0.000 0.208 106 L C 2.321 179.147 176.870 -0.074 0.000 1.073 106 L CA 1.406 56.190 54.840 -0.093 0.000 0.745 106 L CB -1.087 40.893 42.059 -0.133 0.000 0.894 106 L HN 0.273 nan 8.230 nan 0.000 0.432 107 L N -1.073 120.100 121.223 -0.084 0.000 2.017 107 L HA -0.250 4.090 4.340 -0.000 0.000 0.208 107 L C 2.588 179.435 176.870 -0.038 0.000 1.073 107 L CA 1.174 55.981 54.840 -0.054 0.000 0.745 107 L CB -0.515 41.509 42.059 -0.058 0.000 0.894 107 L HN 0.188 nan 8.230 nan 0.000 0.432 108 K N 0.643 121.018 120.400 -0.041 0.000 2.025 108 K HA -0.094 4.226 4.320 -0.000 0.000 0.207 108 K C 1.951 178.538 176.600 -0.022 0.000 1.049 108 K CA 1.540 57.811 56.287 -0.027 0.000 0.933 108 K CB -0.899 31.584 32.500 -0.028 0.000 0.714 108 K HN 0.222 nan 8.250 nan 0.000 0.438 109 G N 0.234 109.017 108.800 -0.028 0.000 2.470 109 G HA2 -0.216 3.743 3.960 -0.000 0.000 0.220 109 G HA3 -0.216 3.743 3.960 -0.000 0.000 0.220 109 G C 1.291 176.179 174.900 -0.019 0.000 1.121 109 G CA 0.634 45.720 45.100 -0.023 0.000 0.766 109 G HN 0.318 nan 8.290 nan 0.000 0.553 110 N N 0.354 119.042 118.700 -0.021 0.000 2.336 110 N HA 0.064 4.803 4.740 -0.000 0.000 0.189 110 N C 1.655 177.162 175.510 -0.005 0.000 1.113 110 N CA 0.819 53.860 53.050 -0.015 0.000 0.858 110 N CB 0.432 38.907 38.487 -0.020 0.000 0.970 110 N HN 0.363 nan 8.380 nan 0.000 0.471 111 G N 0.590 109.388 108.800 -0.002 0.000 2.136 111 G HA2 -0.248 3.712 3.960 -0.000 0.000 0.242 111 G HA3 -0.248 3.712 3.960 -0.000 0.000 0.242 111 G C 0.031 174.942 174.900 0.018 0.000 0.989 111 G CA 0.058 45.164 45.100 0.010 0.000 0.682 111 G HN 0.152 nan 8.290 nan 0.000 0.522 112 V N 0.571 120.487 119.914 0.004 0.000 2.583 112 V HA 0.431 4.551 4.120 -0.000 0.000 0.287 112 V C 0.789 176.881 176.094 -0.003 0.000 1.051 112 V CA -0.231 62.068 62.300 -0.001 0.000 1.010 112 V CB 1.788 33.601 31.823 -0.017 0.000 0.988 112 V HN 0.439 nan 8.190 nan 0.000 0.478 113 E N 3.293 123.491 120.200 -0.005 0.000 2.229 113 E HA 0.404 4.754 4.350 -0.000 0.000 0.283 113 E C -1.201 175.361 176.600 -0.063 0.000 1.030 113 E CA -0.736 55.662 56.400 -0.004 0.000 0.836 113 E CB 1.332 31.065 29.700 0.055 0.000 1.068 113 E HN 0.505 nan 8.360 nan 0.000 0.401 114 L N 6.263 127.458 121.223 -0.046 0.000 2.287 114 L HA 0.406 4.746 4.340 -0.000 0.000 0.287 114 L C -1.696 175.134 176.870 -0.067 0.000 1.022 114 L CA -0.714 54.086 54.840 -0.067 0.000 0.814 114 L CB 1.344 43.374 42.059 -0.049 0.000 1.217 114 L HN 0.539 nan 8.230 nan 0.000 0.420 115 L N 5.635 126.793 121.223 -0.109 0.000 2.325 115 L HA 0.623 4.963 4.340 -0.000 0.000 0.281 115 L C -0.771 176.044 176.870 -0.093 0.000 1.004 115 L CA -0.372 54.403 54.840 -0.108 0.000 0.823 115 L CB 1.014 42.947 42.059 -0.211 0.000 1.236 115 L HN 0.513 nan 8.230 nan 0.000 0.415 116 R N 4.254 124.725 120.500 -0.049 0.000 2.221 116 R HA 0.848 5.188 4.340 -0.000 0.000 0.327 116 R C 0.066 176.357 176.300 -0.016 0.000 1.033 116 R CA -0.182 55.900 56.100 -0.030 0.000 0.887 116 R CB 0.699 30.992 30.300 -0.012 0.000 1.057 116 R HN 0.942 nan 8.270 nan 0.000 0.455 117 G N 1.471 110.267 108.800 -0.008 0.000 2.336 117 G HA2 0.111 4.071 3.960 -0.000 0.000 0.300 117 G HA3 0.111 4.071 3.960 -0.000 0.000 0.300 117 G C -1.957 172.978 174.900 0.058 0.000 1.375 117 G CA -0.984 44.138 45.100 0.037 0.000 0.885 117 G HN 0.311 nan 8.290 nan 0.000 0.599 118 F N 2.056 121.989 119.950 -0.028 0.000 2.371 118 F HA 0.672 5.199 4.527 -0.000 0.000 0.363 118 F C 0.725 176.509 175.800 -0.026 0.000 1.122 118 F CA -0.041 57.944 58.000 -0.026 0.000 1.129 118 F CB 0.881 39.873 39.000 -0.014 0.000 1.173 118 F HN 0.767 nan 8.300 nan 0.000 0.489 119 A N 7.303 129.883 122.820 -0.400 0.000 2.363 119 A HA 0.712 5.031 4.320 -0.000 0.000 0.270 119 A C -0.315 177.117 177.584 -0.254 0.000 1.121 119 A CA -0.534 51.348 52.037 -0.258 0.000 0.800 119 A CB 0.460 19.302 19.000 -0.262 0.000 1.052 119 A HN 0.863 nan 8.150 nan 0.000 0.493 120 R N 1.782 122.257 120.500 -0.043 0.000 2.574 120 R HA 0.421 4.761 4.340 -0.000 0.000 0.288 120 R C -1.592 174.724 176.300 0.027 0.000 1.004 120 R CA -0.905 55.210 56.100 0.024 0.000 0.895 120 R CB 1.541 31.922 30.300 0.136 0.000 1.191 120 R HN 0.560 nan 8.270 nan 0.000 0.444 121 L N 2.376 123.608 121.223 0.016 0.000 2.439 121 L HA 0.079 4.419 4.340 -0.000 0.000 0.269 121 L C 1.280 178.173 176.870 0.039 0.000 1.179 121 L CA 0.437 55.292 54.840 0.025 0.000 0.828 121 L CB 1.243 43.310 42.059 0.014 0.000 1.106 121 L HN 0.644 nan 8.230 nan 0.000 0.467 122 V N -1.411 118.528 119.914 0.043 0.000 3.502 122 V HA 0.746 4.866 4.120 -0.000 0.000 0.288 122 V C 0.506 176.620 176.094 0.033 0.000 1.461 122 V CA 0.492 62.816 62.300 0.041 0.000 1.029 122 V CB 0.010 31.861 31.823 0.047 0.000 0.843 122 V HN 0.774 nan 8.190 nan 0.000 0.438 123 G N -0.366 108.453 108.800 0.032 0.000 2.600 123 G HA2 0.541 4.501 3.960 -0.000 0.000 0.293 123 G HA3 0.541 4.501 3.960 -0.000 0.000 0.293 123 G C -2.845 172.069 174.900 0.023 0.000 1.408 123 G CA -0.344 44.772 45.100 0.026 0.000 0.782 123 G HN -0.094 nan 8.290 nan 0.000 0.482 124 P HA 0.013 nan 4.420 nan 0.000 0.218 124 P C 0.847 178.160 177.300 0.021 0.000 1.148 124 P CA 1.278 64.386 63.100 0.013 0.000 0.822 124 P CB 0.294 31.998 31.700 0.008 0.000 0.784 125 K N -1.029 119.390 120.400 0.032 0.000 2.619 125 K HA 0.251 4.571 4.320 -0.000 0.000 0.201 125 K C -0.172 176.466 176.600 0.062 0.000 1.090 125 K CA 0.030 56.344 56.287 0.046 0.000 1.063 125 K CB 1.179 33.707 32.500 0.046 0.000 0.810 125 K HN 0.235 nan 8.250 nan 0.000 0.506 126 E N 0.730 120.965 120.200 0.059 0.000 2.272 126 E HA 0.439 4.789 4.350 -0.000 0.000 0.269 126 E C -1.294 175.354 176.600 0.079 0.000 0.877 126 E CA -0.709 55.737 56.400 0.078 0.000 0.755 126 E CB 2.009 31.748 29.700 0.064 0.000 1.192 126 E HN -0.214 nan 8.360 nan 0.000 0.422 127 V N 2.899 122.883 119.914 0.116 0.000 2.823 127 V HA 0.411 4.531 4.120 -0.000 0.000 0.312 127 V C -0.642 175.553 176.094 0.169 0.000 1.072 127 V CA -0.809 61.551 62.300 0.101 0.000 0.937 127 V CB 1.898 33.750 31.823 0.048 0.000 1.013 127 V HN 0.744 nan 8.190 nan 0.000 0.430 128 E N 2.088 122.366 120.200 0.129 0.000 2.176 128 E HA 0.743 5.093 4.350 -0.000 0.000 0.267 128 E C -1.598 175.091 176.600 0.149 0.000 0.893 128 E CA -0.293 56.206 56.400 0.165 0.000 0.761 128 E CB 1.990 31.759 29.700 0.115 0.000 1.133 128 E HN 0.485 nan 8.360 nan 0.000 0.409 135 G N -0.283 108.580 108.800 0.106 0.000 2.179 135 G HA2 -0.236 3.723 3.960 -0.000 0.000 0.260 135 G HA3 -0.236 3.723 3.960 -0.000 0.000 0.260 135 G C 0.052 174.997 174.900 0.075 0.000 0.977 135 G CA 0.606 45.754 45.100 0.079 0.000 0.641 135 G HN 0.548 nan 8.290 nan 0.000 0.533 136 E N 0.143 120.415 120.200 0.120 0.000 2.212 136 E HA 0.613 4.962 4.350 -0.000 0.000 0.270 136 E C 0.277 176.912 176.600 0.058 0.000 0.956 136 E CA -0.750 55.679 56.400 0.047 0.000 0.825 136 E CB 1.063 30.786 29.700 0.038 0.000 1.167 136 E HN 0.211 nan 8.360 nan 0.000 0.400 137 R N 1.510 121.934 120.500 -0.127 0.000 2.474 137 R HA 0.489 4.829 4.340 -0.000 0.000 0.295 137 R C -0.746 175.396 176.300 -0.264 0.000 0.980 137 R CA -0.681 55.390 56.100 -0.048 0.000 0.934 137 R CB 0.600 30.884 30.300 -0.026 0.000 1.101 137 R HN 0.472 nan 8.270 nan 0.000 0.469 138 Y N -1.075 119.270 120.300 0.075 0.000 2.421 138 Y HA 0.574 5.124 4.550 -0.000 0.000 0.339 138 Y C 0.626 176.592 175.900 0.110 0.000 0.996 138 Y CA -0.898 57.277 58.100 0.125 0.000 1.046 138 Y CB 2.600 41.138 38.460 0.130 0.000 1.226 138 Y HN 0.741 nan 8.280 nan 0.000 0.445 139 G N 0.568 109.527 108.800 0.265 0.000 2.533 139 G HA2 0.881 4.841 3.960 -0.000 0.000 0.304 139 G HA3 0.881 4.841 3.960 -0.000 0.000 0.304 139 G C -1.589 173.438 174.900 0.212 0.000 1.263 139 G CA -0.764 44.445 45.100 0.182 0.000 0.964 139 G HN 0.887 nan 8.290 nan 0.000 0.479 140 A N 0.599 123.511 122.820 0.153 0.000 2.610 140 A HA 0.712 5.032 4.320 -0.000 0.000 0.291 140 A C 0.703 178.350 177.584 0.105 0.000 1.086 140 A CA -0.447 51.680 52.037 0.150 0.000 0.677 140 A CB 1.626 20.725 19.000 0.165 0.000 1.278 140 A HN 0.547 nan 8.150 nan 0.000 0.414 141 K N 0.268 120.727 120.400 0.098 0.000 2.217 141 K HA 0.008 4.328 4.320 -0.000 0.000 0.202 141 K C 0.441 177.099 176.600 0.096 0.000 1.051 141 K CA 1.856 58.193 56.287 0.082 0.000 0.952 141 K CB -0.150 32.395 32.500 0.075 0.000 0.736 141 K HN 0.984 nan 8.250 nan 0.000 0.453 142 S N -0.455 115.313 115.700 0.114 0.000 2.546 142 S HA 0.618 5.088 4.470 -0.000 0.000 0.274 142 S C -0.644 174.037 174.600 0.135 0.000 1.121 142 S CA -1.110 57.181 58.200 0.153 0.000 0.887 142 S CB 1.915 65.244 63.200 0.214 0.000 1.094 142 S HN 0.035 nan 8.310 nan 0.000 0.474 143 L N 1.912 123.229 121.223 0.156 0.000 2.381 143 L HA 0.654 4.994 4.340 -0.000 0.000 0.268 143 L C -1.043 175.925 176.870 0.164 0.000 0.997 143 L CA -0.911 53.994 54.840 0.109 0.000 0.818 143 L CB 1.878 43.975 42.059 0.064 0.000 1.310 143 L HN 0.662 nan 8.230 nan 0.000 0.416 144 I N 3.716 124.341 120.570 0.092 0.000 2.439 144 I HA 0.322 4.492 4.170 -0.000 0.000 0.283 144 I C -0.669 175.469 176.117 0.036 0.000 1.023 144 I CA -0.418 60.939 61.300 0.095 0.000 1.100 144 I CB 1.909 39.930 38.000 0.035 0.000 1.238 144 I HN 0.365 nan 8.210 nan 0.000 0.445 145 L N 6.548 127.796 121.223 0.042 0.000 2.261 145 L HA 0.541 4.881 4.340 -0.000 0.000 0.289 145 L C 0.575 177.444 176.870 -0.001 0.000 1.059 145 L CA -0.179 54.662 54.840 0.002 0.000 0.816 145 L CB 1.003 43.065 42.059 0.005 0.000 1.191 145 L HN 0.705 nan 8.230 nan 0.000 0.431 146 A N 1.257 124.062 122.820 -0.024 0.000 3.253 146 A HA 0.276 4.596 4.320 -0.000 0.000 0.290 146 A C 0.995 178.558 177.584 -0.035 0.000 0.950 146 A CA -0.285 51.738 52.037 -0.024 0.000 0.986 146 A CB -0.123 18.861 19.000 -0.026 0.000 1.104 146 A HN 0.729 nan 8.150 nan 0.000 0.481 147 T N -2.688 111.843 114.554 -0.039 0.000 3.160 147 T HA 0.411 4.761 4.350 -0.000 0.000 0.257 147 T C 1.336 176.023 174.700 -0.020 0.000 1.147 147 T CA 0.948 63.020 62.100 -0.046 0.000 1.064 147 T CB -0.431 68.400 68.868 -0.062 0.000 0.949 147 T HN 1.992 nan 8.240 nan 0.000 0.526 148 G N 1.634 110.428 108.800 -0.010 0.000 2.601 148 G HA2 -0.096 3.864 3.960 -0.000 0.000 0.261 148 G HA3 -0.096 3.864 3.960 -0.000 0.000 0.261 148 G C -0.010 174.891 174.900 0.002 0.000 1.289 148 G CA 0.205 45.304 45.100 -0.000 0.000 0.920 148 G HN 1.584 nan 8.290 nan 0.000 0.571 149 S N -0.978 114.725 115.700 0.004 0.000 2.806 149 S HA 0.852 5.321 4.470 -0.000 0.000 0.306 149 S C -0.601 173.997 174.600 -0.003 0.000 1.167 149 S CA 0.376 58.573 58.200 -0.005 0.000 0.847 149 S CB 2.406 65.614 63.200 0.013 0.000 1.216 149 S HN 1.770 nan 8.310 nan 0.000 0.532 150 E N -0.857 119.340 120.200 -0.005 0.000 2.446 150 E HA 0.608 4.958 4.350 -0.000 0.000 0.276 150 E C -3.377 173.226 176.600 0.005 0.000 0.969 150 E CA -2.604 53.791 56.400 -0.008 0.000 0.800 150 E CB 1.043 30.739 29.700 -0.007 0.000 1.341 150 E HN 0.285 nan 8.360 nan 0.000 0.460 151 P HA 0.010 nan 4.420 nan 0.000 0.265 151 P C -0.795 176.593 177.300 0.148 0.000 1.193 151 P CA -0.290 62.828 63.100 0.031 0.000 0.765 151 P CB 0.281 31.910 31.700 -0.119 0.000 0.823 152 L N 3.266 124.592 121.223 0.173 0.000 2.319 152 L HA 0.233 4.573 4.340 -0.000 0.000 0.280 152 L C 0.436 177.450 176.870 0.239 0.000 1.099 152 L CA -0.152 54.786 54.840 0.164 0.000 0.828 152 L CB 0.009 42.123 42.059 0.091 0.000 1.150 152 L HN 0.327 nan 8.230 nan 0.000 0.442 153 E N 3.521 123.836 120.200 0.191 0.000 2.366 153 E HA 0.297 4.647 4.350 -0.000 0.000 0.266 153 E C -1.367 175.210 176.600 -0.038 0.000 1.051 153 E CA -0.656 55.746 56.400 0.004 0.000 0.884 153 E CB 1.081 30.787 29.700 0.011 0.000 1.006 153 E HN 0.599 nan 8.360 nan 0.000 0.417 154 L N 4.278 125.439 121.223 -0.103 0.000 2.313 154 L HA 0.316 4.656 4.340 -0.000 0.000 0.283 154 L C -0.513 176.400 176.870 0.072 0.000 1.013 154 L CA -0.428 54.421 54.840 0.016 0.000 0.816 154 L CB 1.306 43.389 42.059 0.040 0.000 1.236 154 L HN 0.481 nan 8.230 nan 0.000 0.419 155 K N 4.165 124.603 120.400 0.062 0.000 2.530 155 K HA 0.281 4.600 4.320 -0.000 0.000 0.280 155 K C 1.020 177.646 176.600 0.043 0.000 1.004 155 K CA 1.338 57.647 56.287 0.036 0.000 1.071 155 K CB 0.015 32.532 32.500 0.028 0.000 0.876 155 K HN 1.012 nan 8.250 nan 0.000 0.487 156 G N 3.625 112.381 108.800 -0.073 0.000 2.195 156 G HA2 -0.251 3.708 3.960 -0.000 0.000 0.246 156 G HA3 -0.251 3.708 3.960 -0.000 0.000 0.246 156 G C -0.042 174.546 174.900 -0.521 0.000 0.984 156 G CA 0.134 45.061 45.100 -0.288 0.000 0.633 156 G HN 0.569 nan 8.290 nan 0.000 0.525 157 F N 2.587 122.538 119.950 0.001 0.000 2.584 157 F HA 0.378 4.905 4.527 -0.000 0.000 0.328 157 F C -1.929 173.746 175.800 -0.209 0.000 1.407 157 F CA -1.946 56.026 58.000 -0.046 0.000 1.145 157 F CB 1.633 40.547 39.000 -0.144 0.000 1.440 157 F HN -0.078 nan 8.300 nan 0.000 0.580 158 P HA 0.020 nan 4.420 nan 0.000 0.268 158 P C -0.226 177.041 177.300 -0.054 0.000 1.205 158 P CA 0.016 63.068 63.100 -0.080 0.000 0.771 158 P CB 0.772 32.480 31.700 0.014 0.000 0.858 159 F N 1.854 121.875 119.950 0.119 0.000 2.563 159 F HA 0.454 4.981 4.527 -0.000 0.000 0.363 159 F C 1.695 177.567 175.800 0.120 0.000 1.123 159 F CA 1.570 59.641 58.000 0.119 0.000 1.307 159 F CB 0.051 39.109 39.000 0.097 0.000 1.115 159 F HN 0.582 nan 8.300 nan 0.000 0.592 160 G N 1.683 110.697 108.800 0.357 0.000 2.428 160 G HA2 0.141 4.101 3.960 -0.000 0.000 0.305 160 G HA3 0.141 4.101 3.960 -0.000 0.000 0.305 160 G C 0.069 175.142 174.900 0.287 0.000 1.260 160 G CA -0.551 44.702 45.100 0.255 0.000 0.853 160 G HN 0.293 nan 8.290 nan 0.000 0.480 161 E N 0.023 120.360 120.200 0.229 0.000 2.118 161 E HA -0.095 4.255 4.350 -0.000 0.000 0.195 161 E C 1.321 178.106 176.600 0.309 0.000 0.992 161 E CA 1.510 58.069 56.400 0.265 0.000 0.804 161 E CB 0.091 29.900 29.700 0.181 0.000 0.741 161 E HN 0.462 nan 8.360 nan 0.000 0.458 162 D N -0.699 119.792 120.400 0.152 0.000 2.389 162 D HA 0.032 4.672 4.640 -0.000 0.000 0.206 162 D C 0.012 176.182 176.300 -0.217 0.000 1.055 162 D CA 0.136 54.102 54.000 -0.056 0.000 0.856 162 D CB 1.166 41.948 40.800 -0.030 0.000 0.957 162 D HN -0.087 nan 8.370 nan 0.000 0.509 163 V N 2.701 122.620 119.914 0.008 0.000 2.304 163 V HA 0.181 4.301 4.120 -0.000 0.000 0.278 163 V C -0.525 175.803 176.094 0.390 0.000 1.018 163 V CA -0.897 61.423 62.300 0.033 0.000 0.814 163 V CB 1.000 32.848 31.823 0.042 0.000 1.021 163 V HN 0.002 nan 8.190 nan 0.000 0.440 164 W N 2.912 124.289 121.300 0.129 0.000 2.359 164 W HA 0.575 5.234 4.660 -0.000 0.000 0.344 164 W C 0.265 176.899 176.519 0.190 0.000 1.170 164 W CA -1.149 56.272 57.345 0.128 0.000 1.296 164 W CB 0.791 30.253 29.460 0.002 0.000 1.197 164 W HN 0.661 nan 8.180 nan 0.000 0.618 165 D N -1.519 118.986 120.400 0.174 0.000 2.449 165 D HA 0.227 4.867 4.640 -0.000 0.000 0.250 165 D C 1.049 177.343 176.300 -0.010 0.000 1.050 165 D CA -0.489 53.464 54.000 -0.078 0.000 1.024 165 D CB 0.405 40.744 40.800 -0.769 0.000 1.218 165 D HN 0.202 nan 8.370 nan 0.000 0.566 166 S N -0.526 115.161 115.700 -0.022 0.000 2.383 166 S HA -0.224 4.246 4.470 -0.000 0.000 0.229 166 S C 1.741 176.318 174.600 -0.038 0.000 1.030 166 S CA 1.765 59.967 58.200 0.003 0.000 1.002 166 S CB -1.241 61.962 63.200 0.005 0.000 0.829 166 S HN 0.617 nan 8.310 nan 0.000 0.467 167 T N 2.083 116.579 114.554 -0.097 0.000 2.746 167 T HA -0.073 4.277 4.350 -0.000 0.000 0.267 167 T C 1.936 176.545 174.700 -0.151 0.000 1.039 167 T CA 1.759 63.791 62.100 -0.113 0.000 1.142 167 T CB -0.340 68.448 68.868 -0.133 0.000 0.866 167 T HN 0.465 nan 8.240 nan 0.000 0.444 168 R N 1.793 122.167 120.500 -0.211 0.000 2.092 168 R HA 0.182 4.522 4.340 -0.000 0.000 0.231 168 R C 2.314 178.343 176.300 -0.452 0.000 1.119 168 R CA 1.523 57.393 56.100 -0.384 0.000 0.970 168 R CB -0.938 29.043 30.300 -0.531 0.000 0.864 168 R HN 0.315 nan 8.270 nan 0.000 0.440 169 A N 0.581 123.284 122.820 -0.196 0.000 2.019 169 A HA -0.071 4.249 4.320 -0.000 0.000 0.219 169 A C 2.135 179.798 177.584 0.131 0.000 1.164 169 A CA 1.346 53.405 52.037 0.037 0.000 0.644 169 A CB -0.574 18.548 19.000 0.204 0.000 0.805 169 A HN 0.378 nan 8.150 nan 0.000 0.449 170 L N -1.063 120.167 121.223 0.012 0.000 2.131 170 L HA -0.102 4.238 4.340 -0.000 0.000 0.210 170 L C 0.607 177.458 176.870 -0.032 0.000 1.092 170 L CA 0.837 55.681 54.840 0.007 0.000 0.759 170 L CB -0.343 41.697 42.059 -0.032 0.000 0.903 170 L HN 0.093 nan 8.230 nan 0.000 0.435 171 K N 0.785 121.128 120.400 -0.096 0.000 2.449 171 K HA 0.011 4.330 4.320 -0.000 0.000 0.237 171 K C 1.157 177.713 176.600 -0.075 0.000 1.265 171 K CA 0.027 56.251 56.287 -0.105 0.000 1.193 171 K CB -0.298 32.106 32.500 -0.161 0.000 1.515 171 K HN 0.097 nan 8.250 nan 0.000 0.259 172 V N -1.119 118.769 119.914 -0.044 0.000 2.913 172 V HA -0.107 4.013 4.120 -0.000 0.000 0.260 172 V C 0.943 177.026 176.094 -0.018 0.000 1.098 172 V CA 0.781 63.051 62.300 -0.051 0.000 1.121 172 V CB -0.655 31.073 31.823 -0.158 0.000 0.714 172 V HN 0.552 nan 8.190 nan 0.000 0.487 173 E N 2.486 122.676 120.200 -0.017 0.000 2.467 173 E HA 0.233 4.583 4.350 -0.000 0.000 0.321 173 E C 0.467 177.072 176.600 0.007 0.000 1.388 173 E CA 0.329 56.729 56.400 -0.001 0.000 1.508 173 E CB -0.221 29.478 29.700 -0.000 0.000 1.250 173 E HN 0.543 nan 8.360 nan 0.000 0.500 174 G N 2.321 111.172 108.800 0.085 0.000 2.325 174 G HA2 0.431 4.391 3.960 -0.000 0.000 0.298 174 G HA3 0.431 4.391 3.960 -0.000 0.000 0.298 174 G C -0.229 174.804 174.900 0.221 0.000 1.134 174 G CA -0.694 44.483 45.100 0.130 0.000 0.876 174 G HN 0.390 nan 8.290 nan 0.000 0.452 175 L N 4.350 125.692 121.223 0.198 0.000 2.312 175 L HA 0.362 4.702 4.340 -0.000 0.000 0.281 175 L C -1.412 175.613 176.870 0.259 0.000 1.070 175 L CA -1.691 53.324 54.840 0.292 0.000 0.805 175 L CB 1.664 43.825 42.059 0.169 0.000 1.174 175 L HN 0.410 nan 8.230 nan 0.000 0.434 176 P HA 0.147 nan 4.420 nan 0.000 0.275 176 P C -0.222 177.130 177.300 0.087 0.000 1.228 176 P CA -0.566 62.602 63.100 0.114 0.000 0.786 176 P CB 1.436 33.109 31.700 -0.045 0.000 0.927 177 K N 1.532 121.956 120.400 0.040 0.000 2.057 177 K HA -0.021 4.299 4.320 -0.000 0.000 0.206 177 K C 0.782 177.389 176.600 0.011 0.000 1.050 177 K CA 1.223 57.529 56.287 0.031 0.000 0.935 177 K CB 0.071 32.580 32.500 0.016 0.000 0.715 177 K HN 0.540 nan 8.250 nan 0.000 0.439 178 R N 0.291 120.775 120.500 -0.027 0.000 2.532 178 R HA 0.384 4.724 4.340 -0.000 0.000 0.297 178 R C -1.136 175.096 176.300 -0.113 0.000 0.984 178 R CA -0.660 55.407 56.100 -0.055 0.000 0.884 178 R CB 1.681 31.943 30.300 -0.063 0.000 1.182 178 R HN -0.106 nan 8.270 nan 0.000 0.442 179 L N 3.397 124.550 121.223 -0.117 0.000 2.365 179 L HA 0.575 4.915 4.340 -0.000 0.000 0.273 179 L C -1.738 175.028 176.870 -0.174 0.000 1.000 179 L CA -0.952 53.767 54.840 -0.202 0.000 0.819 179 L CB 1.924 43.846 42.059 -0.229 0.000 1.284 179 L HN 0.587 nan 8.230 nan 0.000 0.418 180 L N 5.591 126.684 121.223 -0.217 0.000 2.313 180 L HA 0.722 5.062 4.340 -0.000 0.000 0.283 180 L C -1.335 175.413 176.870 -0.204 0.000 1.013 180 L CA -0.278 54.451 54.840 -0.184 0.000 0.816 180 L CB 1.821 43.766 42.059 -0.190 0.000 1.236 180 L HN 0.414 nan 8.230 nan 0.000 0.419 181 V N 6.739 126.561 119.914 -0.154 0.000 2.384 181 V HA 0.448 4.568 4.120 -0.000 0.000 0.287 181 V C 0.115 176.126 176.094 -0.137 0.000 1.020 181 V CA -0.402 61.817 62.300 -0.135 0.000 0.850 181 V CB 1.477 33.252 31.823 -0.081 0.000 0.987 181 V HN 0.605 nan 8.190 nan 0.000 0.436 182 I N 4.603 125.074 120.570 -0.166 0.000 2.307 182 I HA 0.741 4.911 4.170 -0.000 0.000 0.289 182 I C 0.641 176.703 176.117 -0.091 0.000 1.021 182 I CA -0.065 61.135 61.300 -0.167 0.000 1.224 182 I CB 1.302 39.125 38.000 -0.295 0.000 1.376 182 I HN 0.857 nan 8.210 nan 0.000 0.470 183 G N 3.510 112.277 108.800 -0.055 0.000 3.239 183 G HA2 0.077 4.037 3.960 -0.000 0.000 0.666 183 G HA3 0.077 4.037 3.960 -0.000 0.000 0.666 183 G C -0.103 174.782 174.900 -0.024 0.000 1.313 183 G CA -0.532 44.552 45.100 -0.027 0.000 1.001 183 G HN 0.910 nan 8.290 nan 0.000 0.573 184 G N 0.438 109.224 108.800 -0.023 0.000 3.820 184 G HA2 0.654 4.614 3.960 -0.000 0.000 0.293 184 G HA3 0.654 4.614 3.960 -0.000 0.000 0.293 184 G C 0.804 175.672 174.900 -0.054 0.000 1.152 184 G CA 0.888 45.966 45.100 -0.037 0.000 0.921 184 G HN 1.220 nan 8.290 nan 0.000 0.544 185 G N -1.110 107.669 108.800 -0.035 0.000 2.557 185 G HA2 0.493 4.453 3.960 -0.000 0.000 0.302 185 G HA3 0.493 4.453 3.960 -0.000 0.000 0.302 185 G C 1.289 176.177 174.900 -0.019 0.000 1.311 185 G CA 0.229 45.306 45.100 -0.038 0.000 1.030 185 G HN 0.318 nan 8.290 nan 0.000 0.509 186 A N -1.098 121.724 122.820 0.003 0.000 1.917 186 A HA -0.069 4.251 4.320 -0.000 0.000 0.219 186 A C 2.535 180.160 177.584 0.070 0.000 1.182 186 A CA 2.314 54.384 52.037 0.055 0.000 0.633 186 A CB -0.795 18.269 19.000 0.108 0.000 0.819 186 A HN 0.559 nan 8.150 nan 0.000 0.448 187 V N -0.211 119.737 119.914 0.058 0.000 2.261 187 V HA -0.192 3.928 4.120 -0.000 0.000 0.246 187 V C 2.848 178.975 176.094 0.055 0.000 1.047 187 V CA 2.102 64.437 62.300 0.059 0.000 1.015 187 V CB -1.587 30.266 31.823 0.050 0.000 0.642 187 V HN 0.617 nan 8.190 nan 0.000 0.446 188 G N -0.269 108.552 108.800 0.035 0.000 2.418 188 G HA2 -0.198 3.762 3.960 -0.000 0.000 0.217 188 G HA3 -0.198 3.762 3.960 -0.000 0.000 0.217 188 G C 1.599 176.518 174.900 0.031 0.000 1.158 188 G CA 1.012 46.125 45.100 0.023 0.000 0.771 188 G HN 0.457 nan 8.290 nan 0.000 0.545 189 L N 0.005 121.245 121.223 0.028 0.000 2.017 189 L HA -0.062 4.278 4.340 -0.000 0.000 0.208 189 L C 2.906 179.816 176.870 0.067 0.000 1.073 189 L CA 1.418 56.279 54.840 0.034 0.000 0.745 189 L CB -0.470 41.599 42.059 0.018 0.000 0.894 189 L HN 0.272 nan 8.230 nan 0.000 0.432 190 E N 0.160 120.413 120.200 0.089 0.000 2.028 190 E HA -0.197 4.153 4.350 -0.000 0.000 0.191 190 E C 2.354 179.028 176.600 0.123 0.000 0.988 190 E CA 1.092 57.560 56.400 0.114 0.000 0.799 190 E CB -0.131 29.646 29.700 0.129 0.000 0.755 190 E HN 0.417 nan 8.360 nan 0.000 0.447 191 L N 0.285 121.588 121.223 0.132 0.000 2.141 191 L HA -0.067 4.273 4.340 -0.000 0.000 0.209 191 L C 2.519 179.535 176.870 0.244 0.000 1.094 191 L CA 0.924 55.887 54.840 0.204 0.000 0.763 191 L CB -0.548 41.622 42.059 0.184 0.000 0.908 191 L HN 0.247 nan 8.230 nan 0.000 0.437 192 G N -0.750 108.133 108.800 0.138 0.000 2.421 192 G HA2 -0.321 3.638 3.960 -0.000 0.000 0.216 192 G HA3 -0.321 3.638 3.960 -0.000 0.000 0.216 192 G C 1.501 176.480 174.900 0.132 0.000 1.171 192 G CA 0.626 45.792 45.100 0.111 0.000 0.775 192 G HN 0.367 nan 8.290 nan 0.000 0.543 193 Q N -0.212 119.648 119.800 0.100 0.000 2.167 193 Q HA -0.024 4.316 4.340 -0.000 0.000 0.202 193 Q C 2.647 178.692 176.000 0.076 0.000 0.970 193 Q CA 0.966 56.810 55.803 0.067 0.000 0.855 193 Q CB -0.073 28.690 28.738 0.041 0.000 0.911 193 Q HN 0.313 nan 8.270 nan 0.000 0.438 194 V N 0.205 120.186 119.914 0.112 0.000 2.255 194 V HA -0.287 3.832 4.120 -0.000 0.000 0.247 194 V C 1.755 177.855 176.094 0.009 0.000 1.051 194 V CA 1.981 64.317 62.300 0.060 0.000 1.018 194 V CB -0.715 31.149 31.823 0.069 0.000 0.641 194 V HN 0.455 nan 8.190 nan 0.000 0.445 195 Y N 0.015 120.349 120.300 0.058 0.000 2.181 195 Y HA -0.239 4.311 4.550 -0.000 0.000 0.288 195 Y C 2.719 178.644 175.900 0.042 0.000 1.146 195 Y CA 2.065 60.203 58.100 0.063 0.000 1.164 195 Y CB -0.283 38.222 38.460 0.076 0.000 0.982 195 Y HN 0.117 nan 8.280 nan 0.000 0.515 196 R N 1.071 121.667 120.500 0.160 0.000 2.083 196 R HA -0.129 4.210 4.340 -0.000 0.000 0.237 196 R C 2.002 178.334 176.300 0.053 0.000 1.137 196 R CA 1.710 57.863 56.100 0.088 0.000 0.951 196 R CB -0.388 29.946 30.300 0.057 0.000 0.851 196 R HN 0.225 nan 8.270 nan 0.000 0.434 197 R N -0.237 120.281 120.500 0.031 0.000 2.189 197 R HA 0.039 4.378 4.340 -0.000 0.000 0.218 197 R C 1.804 178.116 176.300 0.020 0.000 1.074 197 R CA 1.032 57.147 56.100 0.026 0.000 0.991 197 R CB -0.162 30.141 30.300 0.006 0.000 0.883 197 R HN 0.262 nan 8.270 nan 0.000 0.457 198 L N -0.582 120.636 121.223 -0.009 0.000 2.591 198 L HA 0.153 4.493 4.340 -0.000 0.000 0.228 198 L C 1.080 177.951 176.870 0.002 0.000 1.133 198 L CA 0.522 55.343 54.840 -0.031 0.000 0.880 198 L CB 0.320 42.307 42.059 -0.119 0.000 1.033 198 L HN 0.487 nan 8.230 nan 0.000 0.450 199 G N -0.571 108.247 108.800 0.030 0.000 2.205 199 G HA2 -0.150 3.810 3.960 -0.000 0.000 0.180 199 G HA3 -0.150 3.810 3.960 -0.000 0.000 0.180 199 G C 0.263 175.200 174.900 0.060 0.000 1.004 199 G CA -0.144 44.981 45.100 0.041 0.000 0.670 199 G HN 0.401 nan 8.290 nan 0.000 0.496 200 A N 0.112 122.988 122.820 0.093 0.000 2.264 200 A HA 0.739 5.058 4.320 -0.000 0.000 0.304 200 A C 0.207 177.834 177.584 0.073 0.000 1.100 200 A CA -0.317 51.783 52.037 0.105 0.000 0.839 200 A CB 0.655 19.770 19.000 0.192 0.000 1.121 200 A HN 0.158 nan 8.150 nan 0.000 0.496 201 E N 0.111 120.338 120.200 0.043 0.000 2.283 201 E HA 0.476 4.826 4.350 -0.000 0.000 0.278 201 E C -1.042 175.565 176.600 0.011 0.000 1.027 201 E CA -0.123 56.289 56.400 0.019 0.000 0.843 201 E CB 1.531 31.231 29.700 -0.000 0.000 1.062 201 E HN 0.293 nan 8.360 nan 0.000 0.401 202 V N 2.491 122.409 119.914 0.007 0.000 2.623 202 V HA 0.348 4.467 4.120 -0.000 0.000 0.304 202 V C -0.235 175.845 176.094 -0.022 0.000 1.054 202 V CA -0.733 61.562 62.300 -0.008 0.000 0.882 202 V CB 2.275 34.112 31.823 0.024 0.000 1.002 202 V HN 0.586 nan 8.190 nan 0.000 0.424 203 T N 5.891 120.417 114.554 -0.046 0.000 2.824 203 T HA 0.675 5.024 4.350 -0.000 0.000 0.282 203 T C -0.807 173.858 174.700 -0.059 0.000 0.993 203 T CA -0.286 61.786 62.100 -0.047 0.000 0.967 203 T CB 1.483 70.318 68.868 -0.055 0.000 0.960 203 T HN 0.562 nan 8.240 nan 0.000 0.441 204 L N 5.506 126.700 121.223 -0.047 0.000 2.362 204 L HA 0.771 5.111 4.340 -0.000 0.000 0.275 204 L C -0.926 175.914 176.870 -0.049 0.000 0.998 204 L CA -1.096 53.713 54.840 -0.052 0.000 0.820 204 L CB 1.017 43.055 42.059 -0.036 0.000 1.270 204 L HN 0.744 nan 8.230 nan 0.000 0.415 205 I N 1.115 121.649 120.570 -0.059 0.000 2.493 205 I HA 0.740 4.910 4.170 -0.000 0.000 0.298 205 I C -1.099 175.002 176.117 -0.028 0.000 0.998 205 I CA -0.421 60.851 61.300 -0.046 0.000 1.137 205 I CB 1.974 39.942 38.000 -0.053 0.000 1.310 205 I HN 0.622 nan 8.210 nan 0.000 0.445 206 E N 4.125 124.318 120.200 -0.011 0.000 2.260 206 E HA 0.213 4.562 4.350 -0.000 0.000 0.266 206 E C -0.560 176.075 176.600 0.059 0.000 0.887 206 E CA -0.711 55.702 56.400 0.021 0.000 0.777 206 E CB 1.202 30.903 29.700 0.001 0.000 1.205 206 E HN 0.629 nan 8.360 nan 0.000 0.414 207 Y N 4.993 125.274 120.300 -0.031 0.000 2.128 207 Y HA -0.076 4.473 4.550 -0.000 0.000 0.284 207 Y C 0.677 176.565 175.900 -0.019 0.000 1.154 207 Y CA 1.548 59.636 58.100 -0.020 0.000 1.149 207 Y CB 0.207 38.659 38.460 -0.013 0.000 0.976 207 Y HN 0.474 nan 8.280 nan 0.000 0.505 208 M N 0.553 120.314 119.600 0.269 0.000 2.207 208 M HA 0.058 4.537 4.480 -0.000 0.000 0.311 208 M C -1.247 175.077 176.300 0.040 0.000 1.127 208 M CA -2.099 53.298 55.300 0.162 0.000 1.181 208 M CB -0.644 32.021 32.600 0.109 0.000 1.409 208 M HN -0.063 nan 8.290 nan 0.000 0.461 209 P HA -0.104 nan 4.420 nan 0.000 0.221 209 P C -0.231 177.059 177.300 -0.016 0.000 1.145 209 P CA 1.410 64.504 63.100 -0.009 0.000 0.795 209 P CB 0.326 32.023 31.700 -0.005 0.000 0.775 210 E N -1.326 118.863 120.200 -0.018 0.000 2.390 210 E HA 0.335 4.685 4.350 -0.000 0.000 0.277 210 E C -0.499 176.070 176.600 -0.052 0.000 0.939 210 E CA -1.085 55.294 56.400 -0.035 0.000 0.769 210 E CB 0.847 30.523 29.700 -0.040 0.000 1.251 210 E HN -0.091 nan 8.360 nan 0.000 0.450 211 I N 0.297 120.824 120.570 -0.072 0.000 3.060 211 I HA 0.247 4.417 4.170 -0.000 0.000 0.285 211 I C 0.342 176.357 176.117 -0.170 0.000 1.190 211 I CA -0.639 60.601 61.300 -0.101 0.000 1.363 211 I CB 0.163 38.100 38.000 -0.104 0.000 1.396 211 I HN 0.700 nan 8.210 nan 0.000 0.607 212 L N 1.555 122.653 121.223 -0.207 0.000 3.762 212 L HA -0.155 4.185 4.340 -0.000 0.000 0.460 212 L C -1.348 175.394 176.870 -0.214 0.000 1.255 212 L CA -0.340 54.316 54.840 -0.307 0.000 0.783 212 L CB -1.552 40.118 42.059 -0.648 0.000 1.600 212 L HN 0.709 nan 8.230 nan 0.000 0.862 213 P HA -0.207 nan 4.420 nan 0.000 0.222 213 P C 1.145 178.419 177.300 -0.044 0.000 1.142 213 P CA 1.244 64.307 63.100 -0.062 0.000 0.788 213 P CB 0.206 31.891 31.700 -0.025 0.000 0.767 214 Q N -0.443 119.328 119.800 -0.047 0.000 2.389 214 Q HA 0.145 4.485 4.340 -0.000 0.000 0.204 214 Q C 1.453 177.492 176.000 0.066 0.000 0.944 214 Q CA 0.665 56.476 55.803 0.013 0.000 0.908 214 Q CB -0.125 28.631 28.738 0.030 0.000 1.002 214 Q HN 0.249 nan 8.270 nan 0.000 0.493 215 G N 0.499 109.305 108.800 0.009 0.000 2.601 215 G HA2 0.238 4.197 3.960 -0.000 0.000 0.317 215 G HA3 0.238 4.197 3.960 -0.000 0.000 0.317 215 G C -1.211 173.680 174.900 -0.015 0.000 1.246 215 G CA -0.627 44.573 45.100 0.167 0.000 1.012 215 G HN 0.038 nan 8.290 nan 0.000 0.494 216 D N -0.122 120.154 120.400 -0.207 0.000 2.520 216 D HA 0.114 4.753 4.640 -0.000 0.000 0.243 216 D C -1.241 175.007 176.300 -0.085 0.000 1.160 216 D CA -0.837 52.908 54.000 -0.426 0.000 0.877 216 D CB 1.322 41.537 40.800 -0.976 0.000 1.150 216 D HN -0.060 nan 8.370 nan 0.000 0.494 217 P HA -0.137 nan 4.420 nan 0.000 0.217 217 P C 1.006 178.306 177.300 -0.000 0.000 1.150 217 P CA 0.882 63.958 63.100 -0.041 0.000 0.832 217 P CB 0.163 31.838 31.700 -0.042 0.000 0.787 218 E N -0.531 119.670 120.200 0.003 0.000 2.031 218 E HA -0.167 4.182 4.350 -0.000 0.000 0.193 218 E C 1.786 178.440 176.600 0.090 0.000 0.994 218 E CA 2.202 58.622 56.400 0.034 0.000 0.800 218 E CB -0.372 29.342 29.700 0.023 0.000 0.752 218 E HN 0.258 nan 8.360 nan 0.000 0.447 219 T N -1.141 113.510 114.554 0.161 0.000 2.821 219 T HA 0.015 4.365 4.350 -0.000 0.000 0.267 219 T C 1.988 176.909 174.700 0.369 0.000 1.046 219 T CA 0.980 63.249 62.100 0.282 0.000 1.139 219 T CB -0.279 68.795 68.868 0.344 0.000 0.871 219 T HN 0.215 nan 8.240 nan 0.000 0.454 220 A N 1.899 124.890 122.820 0.286 0.000 1.933 220 A HA 0.354 4.674 4.320 -0.000 0.000 0.218 220 A C 2.796 180.390 177.584 0.016 0.000 1.175 220 A CA 1.692 53.735 52.037 0.009 0.000 0.628 220 A CB -1.327 17.570 19.000 -0.173 0.000 0.814 220 A HN 0.698 nan 8.150 nan 0.000 0.444 221 A N -0.357 122.484 122.820 0.035 0.000 1.902 221 A HA -0.059 4.261 4.320 -0.000 0.000 0.217 221 A C 2.198 179.806 177.584 0.040 0.000 1.181 221 A CA 1.471 53.521 52.037 0.021 0.000 0.623 221 A CB -0.601 18.409 19.000 0.018 0.000 0.818 221 A HN 0.584 nan 8.150 nan 0.000 0.443 222 L N -0.935 120.331 121.223 0.072 0.000 2.046 222 L HA -0.154 4.186 4.340 -0.000 0.000 0.208 222 L C 2.430 179.347 176.870 0.078 0.000 1.077 222 L CA 1.611 56.495 54.840 0.073 0.000 0.747 222 L CB -0.221 41.892 42.059 0.090 0.000 0.896 222 L HN 0.452 nan 8.230 nan 0.000 0.432 223 L N 0.223 121.510 121.223 0.107 0.000 2.017 223 L HA -0.249 4.091 4.340 -0.000 0.000 0.208 223 L C 2.715 179.611 176.870 0.044 0.000 1.073 223 L CA 2.039 56.936 54.840 0.095 0.000 0.745 223 L CB -0.758 41.368 42.059 0.112 0.000 0.894 223 L HN 0.256 nan 8.230 nan 0.000 0.432 224 R N -0.576 119.935 120.500 0.019 0.000 2.083 224 R HA -0.187 4.153 4.340 -0.000 0.000 0.237 224 R C 2.435 178.742 176.300 0.012 0.000 1.137 224 R CA 1.879 57.981 56.100 0.003 0.000 0.951 224 R CB -0.262 30.031 30.300 -0.011 0.000 0.851 224 R HN 0.374 nan 8.270 nan 0.000 0.434 225 R N -0.174 120.337 120.500 0.018 0.000 2.096 225 R HA -0.096 4.244 4.340 -0.000 0.000 0.235 225 R C 2.335 178.650 176.300 0.023 0.000 1.127 225 R CA 1.276 57.387 56.100 0.018 0.000 0.968 225 R CB -0.320 29.992 30.300 0.020 0.000 0.861 225 R HN 0.322 nan 8.270 nan 0.000 0.440 226 A N 1.285 124.124 122.820 0.032 0.000 1.898 226 A HA -0.105 4.215 4.320 -0.000 0.000 0.216 226 A C 2.180 179.779 177.584 0.025 0.000 1.181 226 A CA 1.041 53.099 52.037 0.036 0.000 0.620 226 A CB -0.451 18.577 19.000 0.048 0.000 0.819 226 A HN 0.158 nan 8.150 nan 0.000 0.442 227 L N -0.633 120.602 121.223 0.019 0.000 2.046 227 L HA -0.198 4.141 4.340 -0.000 0.000 0.208 227 L C 2.551 179.426 176.870 0.009 0.000 1.077 227 L CA 1.584 56.430 54.840 0.009 0.000 0.747 227 L CB -0.679 41.385 42.059 0.008 0.000 0.896 227 L HN 0.470 nan 8.230 nan 0.000 0.432 228 E N -0.013 120.192 120.200 0.010 0.000 2.110 228 E HA -0.199 4.151 4.350 -0.000 0.000 0.193 228 E C 2.096 178.704 176.600 0.013 0.000 0.988 228 E CA 0.740 57.145 56.400 0.008 0.000 0.804 228 E CB 0.016 29.719 29.700 0.005 0.000 0.745 228 E HN 0.287 nan 8.360 nan 0.000 0.458 229 K N 0.998 121.409 120.400 0.019 0.000 2.147 229 K HA -0.137 4.183 4.320 -0.000 0.000 0.205 229 K C 1.653 178.272 176.600 0.032 0.000 1.049 229 K CA 0.970 57.273 56.287 0.026 0.000 0.936 229 K CB -0.083 32.437 32.500 0.034 0.000 0.722 229 K HN 0.255 nan 8.250 nan 0.000 0.446 230 E N -0.738 119.479 120.200 0.029 0.000 2.502 230 E HA -0.000 4.349 4.350 -0.000 0.000 0.194 230 E C 0.648 177.264 176.600 0.027 0.000 1.062 230 E CA 0.378 56.798 56.400 0.033 0.000 0.867 230 E CB 0.246 29.946 29.700 0.000 0.000 0.888 230 E HN 0.491 nan 8.360 nan 0.000 0.510 231 G N 1.246 110.057 108.800 0.019 0.000 2.184 231 G HA2 -0.236 3.724 3.960 -0.000 0.000 0.206 231 G HA3 -0.236 3.724 3.960 -0.000 0.000 0.206 231 G C 0.248 175.154 174.900 0.010 0.000 0.995 231 G CA -0.360 44.749 45.100 0.015 0.000 0.651 231 G HN 0.176 nan 8.290 nan 0.000 0.511 232 I N 1.816 122.392 120.570 0.009 0.000 2.421 232 I HA 0.279 4.449 4.170 -0.000 0.000 0.291 232 I C 0.964 177.079 176.117 -0.003 0.000 1.089 232 I CA -0.699 60.604 61.300 0.004 0.000 1.354 232 I CB 0.749 38.753 38.000 0.006 0.000 1.413 232 I HN 0.086 nan 8.210 nan 0.000 0.513 233 R N 6.892 127.387 120.500 -0.008 0.000 2.296 233 R HA 0.321 4.661 4.340 -0.000 0.000 0.323 233 R C -1.381 174.907 176.300 -0.019 0.000 1.067 233 R CA -0.138 55.954 56.100 -0.014 0.000 0.946 233 R CB 0.335 30.625 30.300 -0.018 0.000 0.991 233 R HN 0.418 nan 8.270 nan 0.000 0.448 234 V N 6.841 126.744 119.914 -0.017 0.000 2.384 234 V HA 0.509 4.629 4.120 -0.000 0.000 0.287 234 V C -0.034 176.045 176.094 -0.024 0.000 1.020 234 V CA -0.845 61.442 62.300 -0.022 0.000 0.850 234 V CB 1.496 33.307 31.823 -0.019 0.000 0.987 234 V HN 0.611 nan 8.190 nan 0.000 0.436 235 R N 3.131 123.613 120.500 -0.029 0.000 2.272 235 R HA 0.429 4.769 4.340 -0.000 0.000 0.323 235 R C 0.248 176.528 176.300 -0.033 0.000 1.002 235 R CA -0.326 55.755 56.100 -0.031 0.000 0.900 235 R CB 1.360 31.640 30.300 -0.033 0.000 1.151 235 R HN 0.883 nan 8.270 nan 0.000 0.507 236 T N -1.839 112.695 114.554 -0.034 0.000 2.847 236 T HA 0.218 4.568 4.350 -0.000 0.000 0.279 236 T C 0.656 175.323 174.700 -0.054 0.000 0.984 236 T CA -0.781 61.298 62.100 -0.035 0.000 0.988 236 T CB 1.412 70.262 68.868 -0.030 0.000 1.040 236 T HN 0.615 nan 8.240 nan 0.000 0.528 237 K N -0.172 120.188 120.400 -0.067 0.000 3.016 237 K HA -0.164 4.156 4.320 -0.000 0.000 0.262 237 K C -0.808 175.689 176.600 -0.171 0.000 1.043 237 K CA 0.909 57.119 56.287 -0.128 0.000 0.761 237 K CB -1.744 30.699 32.500 -0.095 0.000 1.230 237 K HN 0.867 nan 8.250 nan 0.000 0.485 238 T N 0.474 114.944 114.554 -0.140 0.000 2.893 238 T HA 0.439 4.789 4.350 -0.000 0.000 0.293 238 T C -1.066 173.586 174.700 -0.081 0.000 1.027 238 T CA -0.929 61.101 62.100 -0.116 0.000 0.988 238 T CB 1.767 70.597 68.868 -0.063 0.000 1.043 238 T HN 0.326 nan 8.240 nan 0.000 0.461 239 K N 0.464 120.830 120.400 -0.057 0.000 2.375 239 K HA 0.877 5.197 4.320 -0.000 0.000 0.249 239 K C -1.056 175.584 176.600 0.067 0.000 0.942 239 K CA -1.122 55.196 56.287 0.052 0.000 0.806 239 K CB 2.143 34.728 32.500 0.142 0.000 1.227 239 K HN 0.574 nan 8.250 nan 0.000 0.430 240 A N 2.098 124.970 122.820 0.087 0.000 2.301 240 A HA 0.429 4.748 4.320 -0.000 0.000 0.298 240 A C 0.351 178.125 177.584 0.318 0.000 1.185 240 A CA -0.783 51.348 52.037 0.157 0.000 0.830 240 A CB 0.914 19.885 19.000 -0.048 0.000 1.112 240 A HN 0.563 nan 8.150 nan 0.000 0.508 241 V N 1.823 121.927 119.914 0.316 0.000 3.570 241 V HA 0.465 4.584 4.120 -0.000 0.000 0.257 241 V C 1.158 177.311 176.094 0.099 0.000 1.272 241 V CA 1.158 63.585 62.300 0.212 0.000 1.079 241 V CB -0.118 31.767 31.823 0.105 0.000 0.829 241 V HN 1.359 nan 8.190 nan 0.000 0.454 242 G N -0.502 108.332 108.800 0.056 0.000 2.321 242 G HA2 0.477 4.437 3.960 -0.000 0.000 0.296 242 G HA3 0.477 4.437 3.960 -0.000 0.000 0.296 242 G C -1.929 172.909 174.900 -0.103 0.000 1.287 242 G CA 0.067 44.935 45.100 -0.386 0.000 0.846 242 G HN 0.363 nan 8.290 nan 0.000 0.508 243 Y N -1.477 118.615 120.300 -0.348 0.000 2.713 243 Y HA 0.850 5.400 4.550 -0.000 0.000 0.335 243 Y C -1.314 174.535 175.900 -0.085 0.000 1.222 243 Y CA -1.204 56.836 58.100 -0.100 0.000 1.061 243 Y CB 1.626 40.102 38.460 0.027 0.000 1.314 243 Y HN 0.815 nan 8.280 nan 0.000 0.453 244 E N 2.287 122.419 120.200 -0.114 0.000 2.263 244 E HA 0.300 4.650 4.350 -0.000 0.000 0.268 244 E C -1.715 174.905 176.600 0.032 0.000 0.884 244 E CA -1.026 55.249 56.400 -0.208 0.000 0.766 244 E CB 1.746 31.365 29.700 -0.135 0.000 1.196 244 E HN 0.696 nan 8.360 nan 0.000 0.416 245 K N 4.536 124.931 120.400 -0.008 0.000 2.316 245 K HA 0.207 4.527 4.320 -0.000 0.000 0.289 245 K C -0.686 175.952 176.600 0.062 0.000 1.070 245 K CA -0.006 56.361 56.287 0.133 0.000 0.928 245 K CB 0.598 33.178 32.500 0.133 0.000 1.039 245 K HN 0.400 nan 8.250 nan 0.000 0.480 246 K N 2.329 122.798 120.400 0.115 0.000 2.316 246 K HA 0.190 4.510 4.320 -0.000 0.000 0.234 246 K C 0.867 177.516 176.600 0.081 0.000 1.054 246 K CA -0.835 55.478 56.287 0.043 0.000 0.879 246 K CB 1.210 33.674 32.500 -0.061 0.000 1.252 246 K HN 0.477 nan 8.250 nan 0.000 0.471 247 K N 0.373 120.806 120.400 0.054 0.000 2.211 247 K HA -0.126 4.194 4.320 -0.000 0.000 0.203 247 K C 0.669 177.312 176.600 0.073 0.000 1.050 247 K CA 1.864 58.184 56.287 0.054 0.000 0.945 247 K CB -0.036 32.484 32.500 0.034 0.000 0.732 247 K HN 0.564 nan 8.250 nan 0.000 0.451 248 D N 0.312 120.781 120.400 0.114 0.000 2.328 248 D HA 0.161 4.801 4.640 -0.000 0.000 0.221 248 D C 0.755 177.105 176.300 0.082 0.000 1.072 248 D CA 0.494 54.555 54.000 0.102 0.000 0.850 248 D CB 0.548 41.422 40.800 0.123 0.000 0.922 248 D HN 0.405 nan 8.370 nan 0.000 0.516 249 G N -0.184 108.683 108.800 0.111 0.000 2.316 249 G HA2 0.093 4.053 3.960 -0.000 0.000 0.349 249 G HA3 0.093 4.053 3.960 -0.000 0.000 0.349 249 G C -1.770 173.225 174.900 0.158 0.000 1.274 249 G CA -0.880 44.262 45.100 0.069 0.000 1.018 249 G HN 0.115 nan 8.290 nan 0.000 0.486 250 L N 1.766 123.043 121.223 0.089 0.000 2.265 250 L HA 0.410 4.750 4.340 -0.000 0.000 0.288 250 L C 0.521 177.478 176.870 0.146 0.000 1.058 250 L CA -0.297 54.661 54.840 0.196 0.000 0.809 250 L CB 0.926 43.035 42.059 0.083 0.000 1.179 250 L HN 0.528 nan 8.230 nan 0.000 0.429 251 H N 3.572 122.727 119.070 0.141 0.000 2.787 251 H HA 0.300 4.856 4.556 -0.000 0.000 0.275 251 H C -0.673 174.748 175.328 0.154 0.000 1.183 251 H CA -0.596 55.513 56.048 0.101 0.000 1.290 251 H CB 0.947 30.743 29.762 0.057 0.000 1.438 251 H HN 0.274 nan 8.280 nan 0.000 0.487 252 V N 4.690 124.725 119.914 0.202 0.000 2.432 252 V HA 0.137 4.257 4.120 -0.000 0.000 0.275 252 V C 0.744 176.946 176.094 0.179 0.000 1.043 252 V CA -0.551 61.899 62.300 0.250 0.000 0.925 252 V CB 1.474 33.416 31.823 0.199 0.000 0.985 252 V HN 0.637 nan 8.190 nan 0.000 0.466 253 R N 5.020 125.633 120.500 0.189 0.000 2.254 253 R HA 0.610 4.950 4.340 -0.000 0.000 0.318 253 R C -1.167 175.208 176.300 0.124 0.000 1.031 253 R CA -0.438 55.735 56.100 0.122 0.000 0.905 253 R CB 0.595 30.946 30.300 0.084 0.000 1.050 253 R HN 0.703 nan 8.270 nan 0.000 0.456 254 L N 3.144 124.413 121.223 0.076 0.000 2.322 254 L HA 0.571 4.911 4.340 -0.000 0.000 0.269 254 L C 0.287 177.174 176.870 0.029 0.000 1.012 254 L CA -0.714 54.158 54.840 0.053 0.000 0.815 254 L CB 2.044 44.118 42.059 0.024 0.000 1.295 254 L HN 0.787 nan 8.230 nan 0.000 0.438 255 E N -0.392 119.814 120.200 0.011 0.000 3.240 255 E HA 0.011 4.361 4.350 -0.000 0.000 0.103 255 E C -0.137 176.432 176.600 -0.051 0.000 1.246 255 E CA -0.480 55.914 56.400 -0.010 0.000 0.790 255 E CB 0.180 29.882 29.700 0.003 0.000 2.027 255 E HN 0.629 nan 8.360 nan 0.000 0.511 256 E N 1.266 121.331 120.200 -0.225 0.000 2.773 256 E HA -0.320 4.029 4.350 -0.000 0.000 0.301 256 E C 0.415 176.995 176.600 -0.033 0.000 1.442 256 E CA 1.701 58.057 56.400 -0.073 0.000 0.937 256 E CB -1.457 28.215 29.700 -0.047 0.000 0.918 256 E HN 0.705 nan 8.360 nan 0.000 0.395 257 G N -1.350 107.419 108.800 -0.051 0.000 2.692 257 G HA2 0.388 4.348 3.960 -0.000 0.000 0.686 257 G HA3 0.388 4.348 3.960 -0.000 0.000 0.686 257 G C 0.200 175.087 174.900 -0.022 0.000 1.243 257 G CA 0.384 45.473 45.100 -0.018 0.000 0.782 257 G HN 1.371 nan 8.290 nan 0.000 0.625 258 G N -0.374 108.418 108.800 -0.013 0.000 2.332 258 G HA2 0.553 4.513 3.960 -0.000 0.000 0.265 258 G HA3 0.553 4.513 3.960 -0.000 0.000 0.265 258 G C -0.137 174.757 174.900 -0.009 0.000 1.329 258 G CA 0.456 45.548 45.100 -0.013 0.000 0.949 258 G HN 1.678 nan 8.290 nan 0.000 0.476 259 E N 0.234 120.428 120.200 -0.010 0.000 2.608 259 E HA 0.387 4.737 4.350 -0.000 0.000 0.259 259 E C 0.853 177.451 176.600 -0.004 0.000 0.951 259 E CA 0.592 56.988 56.400 -0.006 0.000 0.945 259 E CB 0.065 29.761 29.700 -0.008 0.000 0.916 259 E HN 0.919 nan 8.360 nan 0.000 0.477 260 G N 3.677 112.478 108.800 0.002 0.000 2.451 260 G HA2 0.391 4.351 3.960 -0.000 0.000 0.303 260 G HA3 0.391 4.351 3.960 -0.000 0.000 0.303 260 G C -0.901 174.005 174.900 0.011 0.000 1.166 260 G CA -0.504 44.602 45.100 0.009 0.000 0.884 260 G HN 0.693 nan 8.290 nan 0.000 0.514 261 E N -0.815 119.395 120.200 0.017 0.000 2.433 261 E HA 0.646 4.996 4.350 -0.000 0.000 0.273 261 E C -1.151 175.468 176.600 0.032 0.000 0.950 261 E CA -0.990 55.421 56.400 0.018 0.000 0.796 261 E CB 2.459 32.163 29.700 0.007 0.000 1.330 261 E HN 0.462 nan 8.360 nan 0.000 0.455 262 E N 0.826 121.045 120.200 0.032 0.000 2.317 262 E HA 0.533 4.883 4.350 -0.000 0.000 0.270 262 E C -2.005 174.602 176.600 0.011 0.000 0.885 262 E CA -1.056 55.371 56.400 0.044 0.000 0.760 262 E CB 2.712 32.459 29.700 0.078 0.000 1.227 262 E HN 0.309 nan 8.360 nan 0.000 0.434 263 V N 3.973 123.884 119.914 -0.004 0.000 2.841 263 V HA 0.519 4.639 4.120 -0.000 0.000 0.310 263 V C -1.494 174.539 176.094 -0.102 0.000 1.090 263 V CA -0.515 61.757 62.300 -0.048 0.000 0.930 263 V CB 2.040 33.840 31.823 -0.039 0.000 1.014 263 V HN 0.554 nan 8.190 nan 0.000 0.425 264 V N 6.981 126.798 119.914 -0.162 0.000 2.417 264 V HA 0.766 4.886 4.120 -0.000 0.000 0.291 264 V C -0.053 175.947 176.094 -0.158 0.000 1.024 264 V CA -0.079 62.071 62.300 -0.250 0.000 0.861 264 V CB 1.423 33.008 31.823 -0.397 0.000 0.985 264 V HN 0.982 nan 8.190 nan 0.000 0.436 265 V N 0.842 120.672 119.914 -0.140 0.000 3.167 265 V HA 0.662 4.782 4.120 -0.000 0.000 0.310 265 V C 0.095 176.116 176.094 -0.122 0.000 1.207 265 V CA -0.607 61.617 62.300 -0.126 0.000 1.059 265 V CB 2.358 34.093 31.823 -0.147 0.000 1.079 265 V HN 0.568 nan 8.190 nan 0.000 0.446 266 D N -0.058 120.260 120.400 -0.137 0.000 2.259 266 D HA 0.205 4.845 4.640 -0.000 0.000 0.216 266 D C 0.096 176.260 176.300 -0.227 0.000 0.961 266 D CA 1.098 55.019 54.000 -0.132 0.000 0.878 266 D CB 0.540 41.282 40.800 -0.097 0.000 1.009 266 D HN 0.438 nan 8.370 nan 0.000 0.490 267 K N -0.300 119.881 120.400 -0.364 0.000 2.482 267 K HA 0.532 4.852 4.320 -0.000 0.000 0.257 267 K C -1.169 175.091 176.600 -0.566 0.000 0.969 267 K CA -0.699 55.217 56.287 -0.618 0.000 0.842 267 K CB 3.356 35.164 32.500 -1.153 0.000 1.359 267 K HN -0.302 nan 8.250 nan 0.000 0.441 268 V N 2.306 121.869 119.914 -0.584 0.000 2.604 268 V HA 0.502 4.622 4.120 -0.000 0.000 0.305 268 V C -1.350 174.539 176.094 -0.341 0.000 1.043 268 V CA -0.964 61.082 62.300 -0.424 0.000 0.888 268 V CB 1.711 33.305 31.823 -0.382 0.000 0.995 268 V HN 0.581 nan 8.190 nan 0.000 0.429 269 L N 6.413 127.493 121.223 -0.239 0.000 2.298 269 L HA 0.663 5.003 4.340 -0.000 0.000 0.284 269 L C -0.550 176.289 176.870 -0.052 0.000 1.013 269 L CA -0.012 54.793 54.840 -0.058 0.000 0.824 269 L CB 1.645 43.672 42.059 -0.053 0.000 1.221 269 L HN 0.425 nan 8.230 nan 0.000 0.418 270 V N 5.513 125.469 119.914 0.069 0.000 2.348 270 V HA 0.678 4.798 4.120 -0.000 0.000 0.270 270 V C 0.670 176.835 176.094 0.118 0.000 1.037 270 V CA 0.122 62.443 62.300 0.035 0.000 0.872 270 V CB 0.811 32.656 31.823 0.035 0.000 1.002 270 V HN 0.939 nan 8.190 nan 0.000 0.464 271 A N 4.363 127.206 122.820 0.038 0.000 3.253 271 A HA 0.513 4.833 4.320 -0.000 0.000 0.290 271 A C 0.500 178.100 177.584 0.028 0.000 0.950 271 A CA -0.040 52.028 52.037 0.051 0.000 0.986 271 A CB 0.709 19.730 19.000 0.035 0.000 1.104 271 A HN 1.052 nan 8.150 nan 0.000 0.481 272 V N -2.606 117.329 119.914 0.034 0.000 3.596 272 V HA 0.641 4.761 4.120 -0.000 0.000 0.289 272 V C 0.729 176.840 176.094 0.028 0.000 1.336 272 V CA 0.510 62.819 62.300 0.015 0.000 1.137 272 V CB -0.888 30.935 31.823 -0.001 0.000 0.966 272 V HN 1.573 nan 8.190 nan 0.000 0.428 273 G N 0.163 108.992 108.800 0.049 0.000 2.340 273 G HA2 0.267 4.227 3.960 -0.000 0.000 0.282 273 G HA3 0.267 4.227 3.960 -0.000 0.000 0.282 273 G C -1.388 173.553 174.900 0.068 0.000 1.312 273 G CA -0.855 44.278 45.100 0.056 0.000 0.942 273 G HN 0.362 nan 8.290 nan 0.000 0.495 274 R N -0.271 120.272 120.500 0.071 0.000 2.808 274 R HA 0.669 5.009 4.340 -0.000 0.000 0.272 274 R C -0.917 175.397 176.300 0.023 0.000 0.995 274 R CA -0.917 55.217 56.100 0.056 0.000 0.917 274 R CB 2.295 32.633 30.300 0.063 0.000 1.217 274 R HN 0.693 nan 8.270 nan 0.000 0.471 275 K N 2.842 123.232 120.400 -0.017 0.000 2.358 275 K HA 0.393 4.713 4.320 -0.000 0.000 0.260 275 K C -2.359 174.155 176.600 -0.143 0.000 0.956 275 K CA -1.898 54.330 56.287 -0.097 0.000 0.834 275 K CB 1.786 34.258 32.500 -0.047 0.000 1.102 275 K HN 0.214 nan 8.250 nan 0.000 0.431 276 P HA 0.040 nan 4.420 nan 0.000 0.271 276 P C -1.048 176.168 177.300 -0.140 0.000 1.216 276 P CA -0.055 62.896 63.100 -0.249 0.000 0.771 276 P CB 0.556 31.954 31.700 -0.504 0.000 0.864 277 R N 1.955 122.418 120.500 -0.062 0.000 3.268 277 R HA 0.156 4.496 4.340 -0.000 0.000 0.217 277 R C 0.935 177.230 176.300 -0.008 0.000 1.568 277 R CA 0.101 56.194 56.100 -0.012 0.000 1.322 277 R CB -0.637 29.679 30.300 0.026 0.000 1.280 277 R HN 0.554 nan 8.270 nan 0.000 0.667 278 T N -3.186 111.351 114.554 -0.027 0.000 3.040 278 T HA 0.139 4.489 4.350 -0.000 0.000 0.266 278 T C 0.399 175.104 174.700 0.009 0.000 1.005 278 T CA -0.398 61.692 62.100 -0.016 0.000 0.906 278 T CB 0.445 69.286 68.868 -0.044 0.000 1.082 278 T HN 0.267 nan 8.240 nan 0.000 0.531 279 E N 1.085 121.297 120.200 0.021 0.000 2.266 279 E HA 0.500 4.850 4.350 -0.000 0.000 0.277 279 E C 0.805 177.452 176.600 0.079 0.000 1.018 279 E CA -0.325 56.094 56.400 0.032 0.000 0.840 279 E CB 1.041 30.749 29.700 0.013 0.000 1.082 279 E HN 0.377 nan 8.360 nan 0.000 0.395 280 G N 2.331 111.175 108.800 0.073 0.000 2.179 280 G HA2 -0.272 3.688 3.960 -0.000 0.000 0.257 280 G HA3 -0.272 3.688 3.960 -0.000 0.000 0.257 280 G C 0.400 175.423 174.900 0.204 0.000 1.010 280 G CA 0.531 45.697 45.100 0.109 0.000 0.736 280 G HN 0.449 nan 8.290 nan 0.000 0.513 281 L N -0.155 121.148 121.223 0.133 0.000 2.640 281 L HA 0.554 4.894 4.340 -0.000 0.000 0.230 281 L C 1.945 178.845 176.870 0.050 0.000 1.123 281 L CA 1.440 56.333 54.840 0.088 0.000 0.900 281 L CB -0.048 42.025 42.059 0.023 0.000 1.146 281 L HN 1.370 nan 8.230 nan 0.000 0.484 282 G N -0.584 108.252 108.800 0.059 0.000 2.143 282 G HA2 -0.306 3.653 3.960 -0.000 0.000 0.249 282 G HA3 -0.306 3.653 3.960 -0.000 0.000 0.249 282 G C 1.007 175.922 174.900 0.025 0.000 0.981 282 G CA 0.576 45.702 45.100 0.042 0.000 0.665 282 G HN 0.376 nan 8.290 nan 0.000 0.528 283 L N 0.748 121.983 121.223 0.020 0.000 2.127 283 L HA -0.076 4.263 4.340 -0.000 0.000 0.211 283 L C 2.871 179.748 176.870 0.012 0.000 1.089 283 L CA 1.918 56.765 54.840 0.012 0.000 0.757 283 L CB -0.397 41.666 42.059 0.008 0.000 0.899 283 L HN 0.598 nan 8.230 nan 0.000 0.434 284 E N 0.832 121.041 120.200 0.015 0.000 2.478 284 E HA -0.189 4.160 4.350 -0.000 0.000 0.198 284 E C 1.301 177.909 176.600 0.014 0.000 1.046 284 E CA 0.829 57.236 56.400 0.013 0.000 0.870 284 E CB -0.085 29.623 29.700 0.014 0.000 0.818 284 E HN 0.527 nan 8.360 nan 0.000 0.527 285 K N 0.023 120.433 120.400 0.017 0.000 2.354 285 K HA 0.267 4.587 4.320 -0.000 0.000 0.194 285 K C 1.496 178.105 176.600 0.015 0.000 1.038 285 K CA 0.565 56.862 56.287 0.017 0.000 1.052 285 K CB 0.723 33.237 32.500 0.023 0.000 0.861 285 K HN 0.127 nan 8.250 nan 0.000 0.535 286 A N 0.287 123.114 122.820 0.012 0.000 2.324 286 A HA 0.347 4.667 4.320 -0.000 0.000 0.220 286 A C 1.250 178.835 177.584 0.002 0.000 1.209 286 A CA 0.541 52.583 52.037 0.008 0.000 0.918 286 A CB 0.281 19.286 19.000 0.008 0.000 0.959 286 A HN 0.272 nan 8.150 nan 0.000 0.507 287 G N -0.866 107.936 108.800 0.002 0.000 2.141 287 G HA2 -0.178 3.782 3.960 -0.000 0.000 0.242 287 G HA3 -0.178 3.782 3.960 -0.000 0.000 0.242 287 G C 0.112 175.008 174.900 -0.005 0.000 0.982 287 G CA 0.094 45.193 45.100 -0.001 0.000 0.662 287 G HN 0.799 nan 8.290 nan 0.000 0.527 288 V N 1.596 121.508 119.914 -0.004 0.000 2.427 288 V HA 0.250 4.370 4.120 -0.000 0.000 0.268 288 V C 0.993 177.087 176.094 -0.000 0.000 1.046 288 V CA -0.056 62.240 62.300 -0.006 0.000 0.970 288 V CB 1.042 32.862 31.823 -0.005 0.000 1.001 288 V HN 0.340 nan 8.190 nan 0.000 0.476 289 K N 4.022 124.421 120.400 -0.001 0.000 2.368 289 K HA 0.493 4.813 4.320 -0.000 0.000 0.282 289 K C -0.685 175.925 176.600 0.015 0.000 1.035 289 K CA -0.251 56.040 56.287 0.006 0.000 0.973 289 K CB 1.225 33.728 32.500 0.004 0.000 0.957 289 K HN 0.458 nan 8.250 nan 0.000 0.474 290 V N 2.728 122.653 119.914 0.019 0.000 2.680 290 V HA 0.109 4.229 4.120 -0.000 0.000 0.309 290 V C -0.289 175.827 176.094 0.036 0.000 1.052 290 V CA -1.064 61.253 62.300 0.029 0.000 0.908 290 V CB 1.917 33.748 31.823 0.012 0.000 1.001 290 V HN 0.888 nan 8.190 nan 0.000 0.431 291 D N 1.511 121.950 120.400 0.064 0.000 2.451 291 D HA 0.184 4.824 4.640 -0.000 0.000 0.259 291 D C 0.873 177.205 176.300 0.053 0.000 1.201 291 D CA -0.519 53.521 54.000 0.067 0.000 1.028 291 D CB 0.706 41.567 40.800 0.102 0.000 1.095 291 D HN 0.560 nan 8.370 nan 0.000 0.539 292 E N -0.864 119.367 120.200 0.050 0.000 2.187 292 E HA -0.230 4.120 4.350 -0.000 0.000 0.199 292 E C 1.756 178.372 176.600 0.027 0.000 1.004 292 E CA 1.109 57.529 56.400 0.034 0.000 0.813 292 E CB -0.059 29.662 29.700 0.035 0.000 0.736 292 E HN 0.374 nan 8.360 nan 0.000 0.468 293 R N -1.100 119.438 120.500 0.063 0.000 2.297 293 R HA 0.064 4.403 4.340 -0.000 0.000 0.197 293 R C 1.246 177.440 176.300 -0.177 0.000 0.943 293 R CA 0.547 56.658 56.100 0.018 0.000 1.038 293 R CB 0.673 31.097 30.300 0.208 0.000 0.957 293 R HN 0.277 nan 8.270 nan 0.000 0.484 294 G N 0.264 108.987 108.800 -0.129 0.000 2.179 294 G HA2 -0.247 3.713 3.960 -0.000 0.000 0.220 294 G HA3 -0.247 3.713 3.960 -0.000 0.000 0.220 294 G C -0.002 174.745 174.900 -0.255 0.000 0.990 294 G CA -0.613 44.360 45.100 -0.212 0.000 0.646 294 G HN 0.175 nan 8.290 nan 0.000 0.517 295 F N 1.248 121.194 119.950 -0.007 0.000 2.412 295 F HA 0.563 5.089 4.527 -0.000 0.000 0.348 295 F C 1.384 177.176 175.800 -0.015 0.000 1.102 295 F CA -0.727 57.264 58.000 -0.014 0.000 1.196 295 F CB 0.765 39.752 39.000 -0.021 0.000 1.144 295 F HN -0.046 nan 8.300 nan 0.000 0.541 296 I N 4.460 125.127 120.570 0.162 0.000 2.517 296 I HA 0.094 4.263 4.170 -0.000 0.000 0.285 296 I C 0.396 176.560 176.117 0.078 0.000 1.106 296 I CA -0.158 61.192 61.300 0.084 0.000 1.402 296 I CB 0.285 38.317 38.000 0.053 0.000 1.399 296 I HN 0.477 nan 8.210 nan 0.000 0.535 297 R N 5.902 126.433 120.500 0.051 0.000 2.449 297 R HA 0.347 4.687 4.340 -0.000 0.000 0.296 297 R C -0.460 175.845 176.300 0.008 0.000 1.047 297 R CA -0.147 55.970 56.100 0.028 0.000 1.018 297 R CB 0.585 30.896 30.300 0.019 0.000 0.962 297 R HN 0.579 nan 8.270 nan 0.000 0.428 298 V N -0.403 119.510 119.914 -0.001 0.000 3.159 298 V HA 0.533 4.653 4.120 -0.000 0.000 0.308 298 V C -0.802 175.289 176.094 -0.005 0.000 1.190 298 V CA -1.359 60.939 62.300 -0.004 0.000 1.037 298 V CB 2.193 34.020 31.823 0.007 0.000 1.060 298 V HN 0.852 nan 8.190 nan 0.000 0.437 299 N N 1.294 119.998 118.700 0.008 0.000 2.725 299 N HA 0.695 5.435 4.740 -0.000 0.000 0.312 299 N C 0.963 176.496 175.510 0.039 0.000 1.295 299 N CA -0.213 52.846 53.050 0.016 0.000 0.914 299 N CB 0.813 39.311 38.487 0.017 0.000 1.177 299 N HN 1.010 nan 8.380 nan 0.000 0.601 300 A N -0.612 122.239 122.820 0.051 0.000 2.070 300 A HA -0.108 4.212 4.320 -0.000 0.000 0.220 300 A C 1.762 179.424 177.584 0.130 0.000 1.159 300 A CA 1.028 53.118 52.037 0.089 0.000 0.656 300 A CB -0.681 18.363 19.000 0.072 0.000 0.800 300 A HN 0.631 nan 8.150 nan 0.000 0.453 301 R N -1.694 118.880 120.500 0.123 0.000 2.310 301 R HA 0.143 4.483 4.340 -0.000 0.000 0.202 301 R C 0.059 176.508 176.300 0.248 0.000 0.933 301 R CA 0.339 56.543 56.100 0.174 0.000 1.054 301 R CB 0.047 30.451 30.300 0.173 0.000 0.985 301 R HN 0.347 nan 8.270 nan 0.000 0.489 302 M N -0.351 119.361 119.600 0.186 0.000 2.939 302 M HA -0.188 4.292 4.480 -0.000 0.000 0.202 302 M C -0.904 175.539 176.300 0.239 0.000 0.592 302 M CA 1.013 56.431 55.300 0.197 0.000 0.749 302 M CB -2.357 30.372 32.600 0.215 0.000 2.692 302 M HN 0.215 nan 8.290 nan 0.000 0.382 303 E N 1.122 121.388 120.200 0.109 0.000 2.313 303 E HA 0.424 4.773 4.350 -0.000 0.000 0.276 303 E C 1.085 177.615 176.600 -0.118 0.000 1.031 303 E CA 0.245 56.543 56.400 -0.171 0.000 0.857 303 E CB 1.112 30.682 29.700 -0.216 0.000 1.040 303 E HN 0.457 nan 8.360 nan 0.000 0.408 304 T N -1.167 113.288 114.554 -0.165 0.000 2.833 304 T HA 0.040 4.389 4.350 -0.000 0.000 0.292 304 T C 1.400 176.048 174.700 -0.087 0.000 1.031 304 T CA -0.160 61.887 62.100 -0.088 0.000 0.937 304 T CB 0.795 69.620 68.868 -0.072 0.000 1.256 304 T HN 0.421 nan 8.240 nan 0.000 0.551 305 S N -1.156 114.511 115.700 -0.054 0.000 2.547 305 S HA 0.093 4.562 4.470 -0.000 0.000 0.235 305 S C 0.522 175.091 174.600 -0.053 0.000 0.980 305 S CA -0.292 57.882 58.200 -0.043 0.000 0.941 305 S CB -0.566 62.619 63.200 -0.024 0.000 0.763 305 S HN 0.563 nan 8.310 nan 0.000 0.532 306 V N 3.375 123.246 119.914 -0.072 0.000 2.357 306 V HA 0.418 4.538 4.120 -0.000 0.000 0.284 306 V C -2.602 173.422 176.094 -0.116 0.000 1.018 306 V CA -2.333 59.924 62.300 -0.071 0.000 0.841 306 V CB 1.186 32.978 31.823 -0.052 0.000 0.991 306 V HN 0.094 nan 8.190 nan 0.000 0.437 307 P HA 0.192 nan 4.420 nan 0.000 0.262 307 P C 1.030 178.258 177.300 -0.120 0.000 1.182 307 P CA 1.452 64.484 63.100 -0.114 0.000 0.761 307 P CB 0.579 32.246 31.700 -0.055 0.000 0.795 308 G N 1.396 110.077 108.800 -0.198 0.000 2.199 308 G HA2 -0.201 3.759 3.960 -0.000 0.000 0.254 308 G HA3 -0.201 3.759 3.960 -0.000 0.000 0.254 308 G C -0.046 174.791 174.900 -0.105 0.000 0.982 308 G CA -0.110 44.941 45.100 -0.082 0.000 0.632 308 G HN 0.532 nan 8.290 nan 0.000 0.529 309 V N 1.402 121.155 119.914 -0.267 0.000 2.384 309 V HA 0.705 4.825 4.120 -0.000 0.000 0.287 309 V C -0.242 175.677 176.094 -0.292 0.000 1.020 309 V CA -0.985 61.232 62.300 -0.138 0.000 0.850 309 V CB 0.942 32.722 31.823 -0.072 0.000 0.987 309 V HN 0.259 nan 8.190 nan 0.000 0.436 310 Y N 2.294 122.598 120.300 0.007 0.000 2.567 310 Y HA 0.859 5.409 4.550 -0.000 0.000 0.333 310 Y C 0.368 176.268 175.900 -0.001 0.000 1.106 310 Y CA -0.959 57.145 58.100 0.006 0.000 1.157 310 Y CB 1.988 40.455 38.460 0.011 0.000 1.277 310 Y HN 0.683 nan 8.280 nan 0.000 0.490 311 A N 2.175 125.089 122.820 0.157 0.000 2.455 311 A HA 0.873 5.193 4.320 -0.000 0.000 0.300 311 A C -1.130 176.491 177.584 0.061 0.000 1.040 311 A CA -0.613 51.473 52.037 0.080 0.000 0.697 311 A CB 0.974 20.004 19.000 0.049 0.000 1.265 311 A HN 0.767 nan 8.150 nan 0.000 0.407 312 I N -1.158 119.429 120.570 0.028 0.000 3.279 312 I HA 0.928 5.097 4.170 -0.000 0.000 0.315 312 I C 0.607 176.707 176.117 -0.028 0.000 1.187 312 I CA -0.380 60.914 61.300 -0.010 0.000 0.953 312 I CB 1.768 39.761 38.000 -0.011 0.000 1.279 312 I HN 1.822 nan 8.210 nan 0.000 0.465 313 G N 2.338 111.098 108.800 -0.067 0.000 2.564 313 G HA2 -0.285 3.675 3.960 -0.000 0.000 0.273 313 G HA3 -0.285 3.675 3.960 -0.000 0.000 0.273 313 G C 0.128 175.016 174.900 -0.020 0.000 1.242 313 G CA 0.861 45.920 45.100 -0.067 0.000 0.951 313 G HN 0.873 nan 8.290 nan 0.000 0.564 314 D N 0.457 120.864 120.400 0.012 0.000 2.182 314 D HA 0.118 4.758 4.640 -0.000 0.000 0.201 314 D C 2.679 179.091 176.300 0.188 0.000 0.986 314 D CA 2.207 56.266 54.000 0.098 0.000 0.847 314 D CB -0.588 40.252 40.800 0.066 0.000 0.942 314 D HN 0.877 nan 8.370 nan 0.000 0.467 315 A N 0.140 123.021 122.820 0.101 0.000 2.066 315 A HA 0.180 4.500 4.320 -0.000 0.000 0.218 315 A C 2.139 179.834 177.584 0.185 0.000 1.157 315 A CA 1.586 53.680 52.037 0.096 0.000 0.670 315 A CB -0.195 18.822 19.000 0.029 0.000 0.804 315 A HN 0.233 nan 8.150 nan 0.000 0.453 316 A N -0.349 122.566 122.820 0.158 0.000 1.901 316 A HA 0.409 4.728 4.320 -0.000 0.000 0.210 316 A C 1.072 178.707 177.584 0.085 0.000 1.208 316 A CA 0.974 53.080 52.037 0.115 0.000 0.644 316 A CB 0.114 19.120 19.000 0.010 0.000 0.863 316 A HN 0.705 nan 8.150 nan 0.000 0.454 317 R N -2.735 117.732 120.500 -0.056 0.000 2.828 317 R HA 0.369 4.709 4.340 -0.000 0.000 0.280 317 R C -3.712 172.311 176.300 -0.461 0.000 1.020 317 R CA -1.406 54.397 56.100 -0.496 0.000 0.855 317 R CB 0.179 30.270 30.300 -0.349 0.000 1.278 317 R HN -0.084 nan 8.270 nan 0.000 0.495 318 P HA 0.321 nan 4.420 nan 0.000 0.278 318 P C -2.427 174.742 177.300 -0.217 0.000 1.258 318 P CA -1.383 61.528 63.100 -0.314 0.000 0.811 318 P CB 0.270 31.786 31.700 -0.307 0.000 1.063 319 P HA 0.135 nan 4.420 nan 0.000 0.275 319 P C -0.589 176.665 177.300 -0.077 0.000 1.228 319 P CA 0.090 63.148 63.100 -0.070 0.000 0.786 319 P CB 0.566 32.258 31.700 -0.014 0.000 0.927 320 L N 3.116 124.321 121.223 -0.029 0.000 2.423 320 L HA 0.294 4.634 4.340 -0.000 0.000 0.249 320 L C 0.274 177.121 176.870 -0.037 0.000 1.276 320 L CA -0.083 54.750 54.840 -0.013 0.000 1.199 320 L CB -0.868 41.221 42.059 0.049 0.000 1.407 320 L HN 0.191 nan 8.230 nan 0.000 0.410 321 L N 0.130 121.285 121.223 -0.113 0.000 2.342 321 L HA 0.579 4.919 4.340 -0.000 0.000 0.271 321 L C 1.205 177.922 176.870 -0.255 0.000 1.008 321 L CA -0.440 54.281 54.840 -0.197 0.000 0.818 321 L CB 1.930 43.761 42.059 -0.380 0.000 1.296 321 L HN 0.372 nan 8.230 nan 0.000 0.427 322 A N 1.026 123.740 122.820 -0.176 0.000 1.873 322 A HA -0.174 4.146 4.320 -0.000 0.000 0.215 322 A C 2.040 179.532 177.584 -0.154 0.000 1.186 322 A CA 1.601 53.568 52.037 -0.116 0.000 0.616 322 A CB -0.823 18.177 19.000 0.001 0.000 0.823 322 A HN 0.951 nan 8.150 nan 0.000 0.442 323 H N -0.225 118.819 119.070 -0.043 0.000 2.421 323 H HA -0.107 4.449 4.556 -0.000 0.000 0.298 323 H C 1.835 177.143 175.328 -0.032 0.000 1.087 323 H CA 1.527 57.538 56.048 -0.060 0.000 1.330 323 H CB -0.518 29.238 29.762 -0.011 0.000 1.388 323 H HN 0.619 nan 8.280 nan 0.000 0.526 324 K N 1.631 121.864 120.400 -0.279 0.000 2.025 324 K HA -0.028 4.291 4.320 -0.000 0.000 0.207 324 K C 2.533 179.091 176.600 -0.070 0.000 1.049 324 K CA 1.126 57.374 56.287 -0.066 0.000 0.933 324 K CB -0.184 32.216 32.500 -0.167 0.000 0.714 324 K HN 0.212 nan 8.250 nan 0.000 0.438 325 A N 1.411 124.136 122.820 -0.158 0.000 1.908 325 A HA -0.184 4.136 4.320 -0.000 0.000 0.218 325 A C 2.173 179.646 177.584 -0.185 0.000 1.181 325 A CA 1.910 53.855 52.037 -0.153 0.000 0.627 325 A CB -0.533 18.373 19.000 -0.157 0.000 0.818 325 A HN 0.404 nan 8.150 nan 0.000 0.445 326 M N -1.624 117.795 119.600 -0.302 0.000 2.086 326 M HA -0.164 4.315 4.480 -0.000 0.000 0.261 326 M C 2.370 178.532 176.300 -0.231 0.000 1.067 326 M CA 2.050 57.005 55.300 -0.575 0.000 1.116 326 M CB -0.260 31.806 32.600 -0.891 0.000 1.348 326 M HN 0.370 nan 8.290 nan 0.000 0.407 327 R N 0.925 121.389 120.500 -0.061 0.000 2.081 327 R HA -0.112 4.228 4.340 -0.000 0.000 0.235 327 R C 1.684 178.099 176.300 0.192 0.000 1.131 327 R CA 1.788 57.924 56.100 0.061 0.000 0.960 327 R CB -0.524 29.829 30.300 0.088 0.000 0.856 327 R HN 0.445 nan 8.270 nan 0.000 0.436 328 E N -1.167 119.165 120.200 0.221 0.000 2.153 328 E HA -0.111 4.239 4.350 -0.000 0.000 0.194 328 E C 1.829 178.474 176.600 0.075 0.000 0.988 328 E CA 1.127 57.626 56.400 0.166 0.000 0.811 328 E CB -0.252 29.431 29.700 -0.029 0.000 0.746 328 E HN 0.606 nan 8.360 nan 0.000 0.466 329 G N 1.385 110.198 108.800 0.021 0.000 2.418 329 G HA2 -0.218 3.742 3.960 -0.000 0.000 0.217 329 G HA3 -0.218 3.742 3.960 -0.000 0.000 0.217 329 G C 1.592 176.507 174.900 0.024 0.000 1.158 329 G CA 0.361 45.466 45.100 0.009 0.000 0.771 329 G HN 0.083 nan 8.290 nan 0.000 0.545 330 L N 0.406 121.663 121.223 0.057 0.000 2.083 330 L HA -0.056 4.283 4.340 -0.000 0.000 0.209 330 L C 2.793 179.679 176.870 0.026 0.000 1.083 330 L CA 0.404 55.271 54.840 0.044 0.000 0.752 330 L CB -0.424 41.667 42.059 0.054 0.000 0.899 330 L HN 0.116 nan 8.230 nan 0.000 0.433 331 I N 0.504 121.115 120.570 0.068 0.000 2.179 331 I HA -0.232 3.938 4.170 -0.000 0.000 0.242 331 I C 2.881 178.981 176.117 -0.028 0.000 1.088 331 I CA 1.668 63.016 61.300 0.079 0.000 1.357 331 I CB -1.522 36.599 38.000 0.202 0.000 1.051 331 I HN 0.165 nan 8.210 nan 0.000 0.409 332 A N 0.884 123.656 122.820 -0.080 0.000 1.902 332 A HA -0.101 4.219 4.320 -0.000 0.000 0.217 332 A C 2.570 179.896 177.584 -0.431 0.000 1.181 332 A CA 2.007 53.844 52.037 -0.334 0.000 0.623 332 A CB -0.779 18.098 19.000 -0.205 0.000 0.818 332 A HN 0.419 nan 8.150 nan 0.000 0.443 333 A N -0.178 122.519 122.820 -0.205 0.000 1.902 333 A HA -0.168 4.152 4.320 -0.000 0.000 0.217 333 A C 1.913 179.416 177.584 -0.134 0.000 1.181 333 A CA 1.659 53.603 52.037 -0.154 0.000 0.623 333 A CB -0.539 18.419 19.000 -0.070 0.000 0.818 333 A HN 0.630 nan 8.150 nan 0.000 0.443 334 E N -0.078 120.065 120.200 -0.095 0.000 2.077 334 E HA -0.168 4.182 4.350 -0.000 0.000 0.193 334 E C 1.683 178.247 176.600 -0.061 0.000 0.989 334 E CA 1.154 57.522 56.400 -0.053 0.000 0.800 334 E CB -0.165 29.526 29.700 -0.015 0.000 0.746 334 E HN 0.534 nan 8.360 nan 0.000 0.452 335 N N 0.531 119.165 118.700 -0.111 0.000 2.270 335 N HA -0.069 4.670 4.740 -0.000 0.000 0.181 335 N C 1.613 177.087 175.510 -0.060 0.000 1.016 335 N CA 1.070 54.086 53.050 -0.057 0.000 0.870 335 N CB -0.172 38.316 38.487 0.001 0.000 0.979 335 N HN 0.106 nan 8.380 nan 0.000 0.431 336 A N 0.653 123.333 122.820 -0.234 0.000 2.015 336 A HA 0.123 4.442 4.320 -0.000 0.000 0.219 336 A C 2.004 179.581 177.584 -0.011 0.000 1.163 336 A CA 1.472 53.451 52.037 -0.097 0.000 0.646 336 A CB -0.359 18.536 19.000 -0.175 0.000 0.806 336 A HN 0.271 nan 8.150 nan 0.000 0.448 337 A N -1.900 120.901 122.820 -0.032 0.000 2.278 337 A HA 0.438 4.758 4.320 -0.000 0.000 0.212 337 A C 1.665 179.256 177.584 0.012 0.000 1.213 337 A CA 1.090 53.125 52.037 -0.004 0.000 0.840 337 A CB -0.825 18.168 19.000 -0.013 0.000 0.866 337 A HN 1.770 nan 8.150 nan 0.000 0.489 338 G N -0.667 108.147 108.800 0.024 0.000 2.176 338 G HA2 -0.231 3.729 3.960 -0.000 0.000 0.232 338 G HA3 -0.231 3.729 3.960 -0.000 0.000 0.232 338 G C 0.377 175.295 174.900 0.030 0.000 0.986 338 G CA 0.394 45.514 45.100 0.033 0.000 0.643 338 G HN 0.552 nan 8.290 nan 0.000 0.522 339 K N 0.067 120.480 120.400 0.022 0.000 2.140 339 K HA 0.452 4.772 4.320 -0.000 0.000 0.237 339 K C -0.611 176.010 176.600 0.034 0.000 1.045 339 K CA -0.127 56.174 56.287 0.023 0.000 0.896 339 K CB 0.500 33.009 32.500 0.015 0.000 1.122 339 K HN 0.075 nan 8.250 nan 0.000 0.503 340 D N 0.548 120.969 120.400 0.034 0.000 2.483 340 D HA 0.156 4.795 4.640 -0.000 0.000 0.281 340 D C -1.157 175.168 176.300 0.042 0.000 1.174 340 D CA -0.146 53.879 54.000 0.040 0.000 0.938 340 D CB 0.316 41.135 40.800 0.032 0.000 1.002 340 D HN 0.271 nan 8.370 nan 0.000 0.501 341 S N 0.679 116.411 115.700 0.053 0.000 2.681 341 S HA 0.971 5.441 4.470 -0.000 0.000 0.299 341 S C -0.584 174.065 174.600 0.082 0.000 1.113 341 S CA -0.747 57.492 58.200 0.065 0.000 1.013 341 S CB 1.827 65.067 63.200 0.068 0.000 1.076 341 S HN 0.528 nan 8.310 nan 0.000 0.534 342 A N 1.118 123.990 122.820 0.086 0.000 2.566 342 A HA 0.655 4.975 4.320 -0.000 0.000 0.297 342 A C -1.664 175.973 177.584 0.088 0.000 1.059 342 A CA -0.646 51.446 52.037 0.090 0.000 0.691 342 A CB 0.737 19.756 19.000 0.033 0.000 1.282 342 A HN 0.652 nan 8.150 nan 0.000 0.401 343 F N 2.069 122.028 119.950 0.014 0.000 2.421 343 F HA 0.563 5.090 4.527 -0.000 0.000 0.358 343 F C 0.093 175.774 175.800 -0.199 0.000 1.115 343 F CA 0.078 58.089 58.000 0.018 0.000 1.160 343 F CB 0.939 40.008 39.000 0.116 0.000 1.123 343 F HN 0.573 nan 8.300 nan 0.000 0.508 344 D N 5.365 125.330 120.400 -0.725 0.000 3.118 344 D HA 0.187 4.826 4.640 -0.000 0.000 0.259 344 D C -1.661 174.132 176.300 -0.846 0.000 1.292 344 D CA -0.047 53.660 54.000 -0.490 0.000 0.784 344 D CB -0.250 40.333 40.800 -0.360 0.000 1.413 344 D HN 0.343 nan 8.370 nan 0.000 0.583 348 V N 4.494 124.521 119.914 0.187 0.000 2.328 348 V HA 0.415 4.535 4.120 -0.000 0.000 0.278 348 V C -1.691 174.523 176.094 0.199 0.000 1.021 348 V CA -1.142 61.302 62.300 0.239 0.000 0.838 348 V CB 1.161 33.155 31.823 0.284 0.000 0.999 348 V HN 0.518 nan 8.190 nan 0.000 0.447 349 P HA 0.305 nan 4.420 nan 0.000 0.274 349 P C -0.565 176.885 177.300 0.251 0.000 1.246 349 P CA -0.272 62.887 63.100 0.097 0.000 0.795 349 P CB 1.475 33.145 31.700 -0.049 0.000 1.006 350 S N -0.109 115.717 115.700 0.211 0.000 2.538 350 S HA 0.565 5.035 4.470 -0.000 0.000 0.288 350 S C -1.097 173.685 174.600 0.305 0.000 1.108 350 S CA -0.573 57.826 58.200 0.332 0.000 0.971 350 S CB 0.659 64.112 63.200 0.422 0.000 1.041 350 S HN 0.212 nan 8.310 nan 0.000 0.483 351 V N 4.158 124.244 119.914 0.287 0.000 2.789 351 V HA 0.636 4.755 4.120 -0.000 0.000 0.311 351 V C -0.852 175.382 176.094 0.234 0.000 1.073 351 V CA -0.708 61.687 62.300 0.157 0.000 0.921 351 V CB 2.121 33.847 31.823 -0.161 0.000 1.009 351 V HN 0.706 nan 8.190 nan 0.000 0.426 352 V N 4.151 124.193 119.914 0.213 0.000 2.407 352 V HA 0.326 4.446 4.120 -0.000 0.000 0.291 352 V C -0.578 175.600 176.094 0.140 0.000 1.018 352 V CA -0.472 61.976 62.300 0.246 0.000 0.842 352 V CB 1.355 33.319 31.823 0.236 0.000 0.996 352 V HN 0.854 nan 8.190 nan 0.000 0.426 353 Y N 2.504 122.883 120.300 0.133 0.000 2.506 353 Y HA 0.112 4.662 4.550 -0.000 0.000 0.333 353 Y C 1.778 177.738 175.900 0.100 0.000 1.177 353 Y CA -0.460 57.707 58.100 0.112 0.000 1.292 353 Y CB -0.898 37.621 38.460 0.098 0.000 1.124 353 Y HN 0.733 nan 8.280 nan 0.000 0.507 354 T N -3.054 111.618 114.554 0.197 0.000 2.698 354 T HA 0.354 4.704 4.350 -0.000 0.000 0.295 354 T C 0.337 175.103 174.700 0.109 0.000 1.007 354 T CA -0.821 61.361 62.100 0.136 0.000 0.980 354 T CB 1.093 70.026 68.868 0.107 0.000 1.036 354 T HN 0.082 nan 8.240 nan 0.000 0.526 355 S N 2.840 118.582 115.700 0.070 0.000 2.707 355 S HA 0.454 4.924 4.470 -0.000 0.000 0.312 355 S C -2.402 172.225 174.600 0.044 0.000 1.116 355 S CA -1.004 57.231 58.200 0.058 0.000 1.078 355 S CB 1.171 64.395 63.200 0.040 0.000 0.997 355 S HN 0.671 nan 8.310 nan 0.000 0.477 356 P HA 0.184 nan 4.420 nan 0.000 0.272 356 P C -0.442 176.915 177.300 0.096 0.000 1.230 356 P CA -0.354 62.793 63.100 0.079 0.000 0.788 356 P CB 0.788 32.536 31.700 0.080 0.000 0.949 357 E N -0.022 120.224 120.200 0.077 0.000 2.345 357 E HA 0.251 4.600 4.350 -0.000 0.000 0.259 357 E C -0.962 175.721 176.600 0.138 0.000 1.117 357 E CA -0.193 56.251 56.400 0.074 0.000 0.913 357 E CB 0.759 30.443 29.700 -0.028 0.000 1.057 357 E HN 0.471 nan 8.360 nan 0.000 0.432 358 W N 0.477 121.757 121.300 -0.033 0.000 2.819 358 W HA 0.582 5.242 4.660 0.000 0.000 0.337 358 W C -1.601 174.906 176.519 -0.021 0.000 1.077 358 W CA -0.367 56.980 57.345 0.004 0.000 1.226 358 W CB 1.502 30.984 29.460 0.036 0.000 1.419 358 W HN 0.502 nan 8.180 nan 0.000 0.502 359 A N 3.315 125.702 122.820 -0.722 0.000 2.547 359 A HA 0.871 5.191 4.320 -0.000 0.000 0.297 359 A C -0.950 175.956 177.584 -1.131 0.000 1.056 359 A CA -0.330 51.320 52.037 -0.645 0.000 0.688 359 A CB 1.287 20.073 19.000 -0.357 0.000 1.282 359 A HN 1.259 nan 8.150 nan 0.000 0.400 360 G N -0.753 107.598 108.800 -0.748 0.000 2.718 360 G HA2 0.744 4.703 3.960 -0.000 0.000 0.295 360 G HA3 0.744 4.703 3.960 -0.000 0.000 0.295 360 G C -1.844 172.839 174.900 -0.361 0.000 1.421 360 G CA -0.216 44.490 45.100 -0.656 0.000 0.902 360 G HN 1.906 nan 8.290 nan 0.000 0.501 361 V N 0.524 120.095 119.914 -0.571 0.000 3.000 361 V HA 0.860 4.980 4.120 -0.000 0.000 0.300 361 V C 0.529 176.430 176.094 -0.322 0.000 1.251 361 V CA 1.385 63.516 62.300 -0.281 0.000 0.972 361 V CB 1.508 33.205 31.823 -0.209 0.000 1.065 361 V HN 2.808 nan 8.190 nan 0.000 0.431 362 G N 4.535 113.273 108.800 -0.103 0.000 2.545 362 G HA2 -0.104 3.856 3.960 -0.000 0.000 0.216 362 G HA3 -0.104 3.856 3.960 -0.000 0.000 0.216 362 G C -0.959 173.992 174.900 0.085 0.000 1.314 362 G CA -0.220 44.850 45.100 -0.050 0.000 0.906 362 G HN 1.270 nan 8.290 nan 0.000 0.563 363 L N 1.614 122.902 121.223 0.108 0.000 2.312 363 L HA 0.554 4.894 4.340 -0.000 0.000 0.281 363 L C 1.591 178.679 176.870 0.364 0.000 1.070 363 L CA -0.263 54.699 54.840 0.202 0.000 0.805 363 L CB 1.463 43.587 42.059 0.108 0.000 1.174 363 L HN 1.012 nan 8.230 nan 0.000 0.434 364 T N -2.025 112.719 114.554 0.316 0.000 2.788 364 T HA 0.136 4.486 4.350 -0.000 0.000 0.287 364 T C 0.933 175.697 174.700 0.107 0.000 1.007 364 T CA -0.642 61.541 62.100 0.137 0.000 1.005 364 T CB 1.068 69.915 68.868 -0.035 0.000 1.012 364 T HN 0.643 nan 8.240 nan 0.000 0.530 365 E N 0.279 120.503 120.200 0.041 0.000 2.085 365 E HA -0.180 4.170 4.350 -0.000 0.000 0.194 365 E C 2.230 178.867 176.600 0.062 0.000 0.994 365 E CA 1.263 57.698 56.400 0.059 0.000 0.801 365 E CB -0.008 29.710 29.700 0.031 0.000 0.743 365 E HN 0.623 nan 8.360 nan 0.000 0.453 366 E N 0.928 121.152 120.200 0.040 0.000 2.051 366 E HA -0.194 4.156 4.350 -0.000 0.000 0.192 366 E C 1.968 178.610 176.600 0.071 0.000 0.991 366 E CA 1.082 57.510 56.400 0.046 0.000 0.799 366 E CB -0.164 29.553 29.700 0.028 0.000 0.748 366 E HN 0.409 nan 8.360 nan 0.000 0.449 367 E N 0.769 121.020 120.200 0.085 0.000 2.106 367 E HA -0.113 4.237 4.350 -0.000 0.000 0.192 367 E C 2.039 178.726 176.600 0.145 0.000 0.984 367 E CA 0.901 57.365 56.400 0.107 0.000 0.806 367 E CB -0.097 29.674 29.700 0.119 0.000 0.750 367 E HN 0.189 nan 8.360 nan 0.000 0.458 368 A N 1.882 124.794 122.820 0.154 0.000 1.898 368 A HA -0.212 4.107 4.320 -0.000 0.000 0.216 368 A C 1.967 179.705 177.584 0.258 0.000 1.181 368 A CA 1.397 53.567 52.037 0.221 0.000 0.620 368 A CB -0.253 18.824 19.000 0.128 0.000 0.819 368 A HN 0.039 nan 8.150 nan 0.000 0.442 369 K N -0.752 119.743 120.400 0.158 0.000 2.032 369 K HA -0.171 4.148 4.320 -0.000 0.000 0.209 369 K C 2.372 179.030 176.600 0.097 0.000 1.048 369 K CA 1.574 57.933 56.287 0.120 0.000 0.927 369 K CB -0.215 32.333 32.500 0.079 0.000 0.712 369 K HN 0.468 nan 8.250 nan 0.000 0.441 370 R N 0.912 121.466 120.500 0.089 0.000 2.096 370 R HA -0.107 4.233 4.340 -0.000 0.000 0.235 370 R C 2.022 178.356 176.300 0.058 0.000 1.127 370 R CA 1.356 57.494 56.100 0.064 0.000 0.968 370 R CB -0.177 30.160 30.300 0.061 0.000 0.861 370 R HN 0.196 nan 8.270 nan 0.000 0.440 371 A N -0.346 122.537 122.820 0.105 0.000 2.168 371 A HA 0.115 4.435 4.320 -0.000 0.000 0.215 371 A C 1.429 178.945 177.584 -0.114 0.000 1.152 371 A CA 1.048 53.126 52.037 0.068 0.000 0.716 371 A CB -0.303 18.864 19.000 0.277 0.000 0.794 371 A HN 0.620 nan 8.150 nan 0.000 0.465 372 G N -2.910 105.857 108.800 -0.054 0.000 2.131 372 G HA2 -0.247 3.713 3.960 -0.000 0.000 0.223 372 G HA3 -0.247 3.713 3.960 -0.000 0.000 0.223 372 G C -0.070 174.733 174.900 -0.162 0.000 0.990 372 G CA 0.147 45.173 45.100 -0.124 0.000 0.671 372 G HN 0.440 nan 8.290 nan 0.000 0.521 373 Y N 0.018 120.342 120.300 0.040 0.000 2.316 373 Y HA 0.575 5.125 4.550 -0.000 0.000 0.324 373 Y C 0.966 176.896 175.900 0.049 0.000 1.267 373 Y CA 0.194 58.322 58.100 0.047 0.000 1.311 373 Y CB 0.844 39.339 38.460 0.058 0.000 1.267 373 Y HN 0.289 nan 8.280 nan 0.000 0.516 374 K N 1.802 122.341 120.400 0.231 0.000 2.206 374 K HA 0.501 4.821 4.320 -0.000 0.000 0.268 374 K C -0.715 175.977 176.600 0.153 0.000 1.111 374 K CA -0.463 55.911 56.287 0.144 0.000 0.955 374 K CB -0.694 31.874 32.500 0.113 0.000 1.406 374 K HN 0.568 nan 8.250 nan 0.000 0.427 375 V N 2.583 122.578 119.914 0.134 0.000 2.585 375 V HA 0.235 4.355 4.120 -0.000 0.000 0.296 375 V C 0.459 176.594 176.094 0.068 0.000 1.035 375 V CA 0.037 62.406 62.300 0.116 0.000 1.084 375 V CB 0.703 32.586 31.823 0.100 0.000 0.953 375 V HN 0.874 nan 8.190 nan 0.000 0.483 376 K N 3.516 123.969 120.400 0.089 0.000 2.502 376 K HA 0.766 5.086 4.320 -0.000 0.000 0.257 376 K C -1.255 175.379 176.600 0.057 0.000 0.938 376 K CA -0.670 55.577 56.287 -0.067 0.000 0.819 376 K CB 2.392 34.699 32.500 -0.322 0.000 1.333 376 K HN 0.572 nan 8.250 nan 0.000 0.434 377 V N -1.022 118.853 119.914 -0.065 0.000 3.074 377 V HA 0.962 5.082 4.120 -0.000 0.000 0.314 377 V C -0.354 175.789 176.094 0.082 0.000 1.117 377 V CA -0.688 61.676 62.300 0.107 0.000 1.014 377 V CB 1.757 33.627 31.823 0.077 0.000 1.057 377 V HN 0.815 nan 8.190 nan 0.000 0.438 378 G N 1.197 110.125 108.800 0.214 0.000 2.662 378 G HA2 0.728 4.688 3.960 -0.000 0.000 0.302 378 G HA3 0.728 4.688 3.960 -0.000 0.000 0.302 378 G C -1.320 173.666 174.900 0.143 0.000 1.389 378 G CA -0.943 44.264 45.100 0.179 0.000 0.998 378 G HN 0.815 nan 8.290 nan 0.000 0.502 379 K N 0.704 121.183 120.400 0.131 0.000 2.422 379 K HA 0.566 4.885 4.320 -0.000 0.000 0.251 379 K C -2.025 174.698 176.600 0.206 0.000 0.933 379 K CA -0.778 55.590 56.287 0.136 0.000 0.798 379 K CB 3.031 35.580 32.500 0.083 0.000 1.238 379 K HN 0.366 nan 8.250 nan 0.000 0.428 380 F N 4.478 124.443 119.950 0.026 0.000 2.579 380 F HA 0.365 4.891 4.527 -0.000 0.000 0.325 380 F C -2.594 173.218 175.800 0.022 0.000 1.162 380 F CA -2.081 55.933 58.000 0.024 0.000 0.946 380 F CB 1.703 40.713 39.000 0.017 0.000 1.211 380 F HN 0.310 nan 8.300 nan 0.000 0.447 381 P HA 0.202 nan 4.420 nan 0.000 0.284 381 P C 0.568 177.606 177.300 -0.436 0.000 1.253 381 P CA -0.277 62.605 63.100 -0.363 0.000 0.800 381 P CB 2.036 33.567 31.700 -0.282 0.000 0.961 382 L N 2.117 123.242 121.223 -0.163 0.000 2.362 382 L HA -0.137 4.203 4.340 -0.000 0.000 0.219 382 L C 2.441 179.257 176.870 -0.090 0.000 1.134 382 L CA 1.190 55.986 54.840 -0.073 0.000 0.807 382 L CB -0.623 41.435 42.059 -0.001 0.000 0.927 382 L HN 0.435 nan 8.230 nan 0.000 0.447 383 A N 0.017 122.762 122.820 -0.125 0.000 2.024 383 A HA -0.129 4.191 4.320 -0.000 0.000 0.220 383 A C 2.170 179.697 177.584 -0.094 0.000 1.164 383 A CA 1.618 53.603 52.037 -0.087 0.000 0.643 383 A CB -0.370 18.581 19.000 -0.083 0.000 0.806 383 A HN 0.399 nan 8.150 nan 0.000 0.451 384 A N -0.874 121.833 122.820 -0.188 0.000 2.345 384 A HA 0.428 4.748 4.320 -0.000 0.000 0.225 384 A C 1.045 178.649 177.584 0.034 0.000 1.243 384 A CA 0.587 52.561 52.037 -0.104 0.000 0.875 384 A CB -0.339 18.531 19.000 -0.217 0.000 0.929 384 A HN 0.371 nan 8.150 nan 0.000 0.502 385 S N -0.397 115.323 115.700 0.034 0.000 2.452 385 S HA 0.452 4.922 4.470 -0.000 0.000 0.284 385 S C 1.446 176.055 174.600 0.015 0.000 1.171 385 S CA 0.019 58.272 58.200 0.089 0.000 1.064 385 S CB 1.003 64.275 63.200 0.120 0.000 0.967 385 S HN 0.459 nan 8.310 nan 0.000 0.484 386 G N 4.660 113.451 108.800 -0.016 0.000 2.418 386 G HA2 -0.190 3.770 3.960 -0.000 0.000 0.217 386 G HA3 -0.190 3.770 3.960 -0.000 0.000 0.217 386 G C 1.498 176.367 174.900 -0.051 0.000 1.158 386 G CA 0.562 45.646 45.100 -0.028 0.000 0.771 386 G HN 0.650 nan 8.290 nan 0.000 0.545 387 R N 1.293 121.746 120.500 -0.078 0.000 2.081 387 R HA 0.090 4.430 4.340 -0.000 0.000 0.235 387 R C 2.758 179.044 176.300 -0.023 0.000 1.131 387 R CA 1.804 57.861 56.100 -0.073 0.000 0.960 387 R CB -1.036 29.216 30.300 -0.079 0.000 0.856 387 R HN 0.230 nan 8.270 nan 0.000 0.436 388 A N 0.332 123.152 122.820 0.001 0.000 1.940 388 A HA -0.145 4.175 4.320 -0.000 0.000 0.219 388 A C 2.075 179.677 177.584 0.030 0.000 1.176 388 A CA 1.568 53.618 52.037 0.021 0.000 0.631 388 A CB -0.672 18.345 19.000 0.029 0.000 0.814 388 A HN 0.354 nan 8.150 nan 0.000 0.446 389 L N 0.351 121.586 121.223 0.020 0.000 2.093 389 L HA -0.093 4.247 4.340 -0.000 0.000 0.208 389 L C 2.739 179.627 176.870 0.031 0.000 1.085 389 L CA 2.641 57.499 54.840 0.029 0.000 0.755 389 L CB -0.801 41.270 42.059 0.019 0.000 0.904 389 L HN 0.579 nan 8.230 nan 0.000 0.435 390 T N -3.535 111.022 114.554 0.006 0.000 3.051 390 T HA -0.094 4.256 4.350 -0.000 0.000 0.269 390 T C 1.547 176.249 174.700 0.003 0.000 1.127 390 T CA 0.940 63.034 62.100 -0.011 0.000 1.107 390 T CB -0.449 68.395 68.868 -0.041 0.000 0.898 390 T HN 0.345 nan 8.240 nan 0.000 0.517 391 L N 0.613 121.858 121.223 0.038 0.000 2.667 391 L HA 0.473 4.813 4.340 -0.000 0.000 0.232 391 L C 1.527 178.512 176.870 0.191 0.000 1.138 391 L CA -0.003 54.882 54.840 0.075 0.000 0.921 391 L CB -0.531 41.551 42.059 0.039 0.000 1.180 391 L HN 0.658 nan 8.230 nan 0.000 0.487 392 G N -0.182 108.727 108.800 0.181 0.000 2.472 392 G HA2 -0.154 3.806 3.960 -0.000 0.000 0.205 392 G HA3 -0.154 3.806 3.960 -0.000 0.000 0.205 392 G C 0.190 175.177 174.900 0.145 0.000 1.270 392 G CA -0.704 44.531 45.100 0.225 0.000 0.974 392 G HN 0.336 nan 8.290 nan 0.000 0.542 393 G N -0.119 108.758 108.800 0.129 0.000 2.460 393 G HA2 0.552 4.512 3.960 -0.000 0.000 0.230 393 G HA3 0.552 4.512 3.960 -0.000 0.000 0.230 393 G C 0.379 175.332 174.900 0.087 0.000 1.248 393 G CA 1.171 46.325 45.100 0.090 0.000 0.863 393 G HN 2.166 nan 8.290 nan 0.000 0.549 394 A N 1.673 124.529 122.820 0.059 0.000 2.340 394 A HA 0.691 5.011 4.320 -0.000 0.000 0.297 394 A C -0.468 177.136 177.584 0.034 0.000 1.195 394 A CA -0.555 51.509 52.037 0.046 0.000 0.769 394 A CB 1.794 20.812 19.000 0.030 0.000 1.163 394 A HN 0.667 nan 8.150 nan 0.000 0.472 395 E N 1.553 121.778 120.200 0.041 0.000 2.274 395 E HA 0.665 5.015 4.350 -0.000 0.000 0.269 395 E C -0.146 176.476 176.600 0.037 0.000 0.891 395 E CA 0.528 56.949 56.400 0.034 0.000 0.784 395 E CB 1.587 31.314 29.700 0.045 0.000 1.225 395 E HN 1.599 nan 8.360 nan 0.000 0.412 396 G N 2.228 111.043 108.800 0.025 0.000 2.343 396 G HA2 0.464 4.423 3.960 -0.000 0.000 0.289 396 G HA3 0.464 4.423 3.960 -0.000 0.000 0.289 396 G C -1.246 173.665 174.900 0.018 0.000 1.295 396 G CA -0.202 44.919 45.100 0.034 0.000 0.869 396 G HN 0.907 nan 8.290 nan 0.000 0.522 397 M N -2.042 117.578 119.600 0.033 0.000 2.790 397 M HA 0.766 5.246 4.480 -0.000 0.000 0.272 397 M C -1.995 174.339 176.300 0.056 0.000 1.168 397 M CA -1.037 54.285 55.300 0.037 0.000 0.829 397 M CB 1.891 34.510 32.600 0.031 0.000 1.675 397 M HN 0.850 nan 8.290 nan 0.000 0.505 398 V N 1.593 121.562 119.914 0.092 0.000 2.588 398 V HA 0.667 4.787 4.120 -0.000 0.000 0.304 398 V C -1.004 175.150 176.094 0.100 0.000 1.042 398 V CA -0.467 61.879 62.300 0.076 0.000 0.877 398 V CB 2.080 33.951 31.823 0.080 0.000 0.996 398 V HN 0.838 nan 8.190 nan 0.000 0.425 399 K N 3.960 124.420 120.400 0.101 0.000 2.376 399 K HA 0.773 5.093 4.320 -0.000 0.000 0.257 399 K C -1.085 175.595 176.600 0.134 0.000 0.939 399 K CA -0.574 55.794 56.287 0.135 0.000 0.809 399 K CB 2.051 34.650 32.500 0.164 0.000 1.121 399 K HN 0.600 nan 8.250 nan 0.000 0.425 400 V N 1.209 121.192 119.914 0.115 0.000 2.513 400 V HA 0.665 4.785 4.120 -0.000 0.000 0.299 400 V C -0.658 175.521 176.094 0.141 0.000 1.035 400 V CA -0.809 61.532 62.300 0.069 0.000 0.889 400 V CB 1.545 33.357 31.823 -0.018 0.000 0.988 400 V HN 0.427 nan 8.190 nan 0.000 0.440 401 V N 4.331 124.311 119.914 0.109 0.000 2.417 401 V HA 0.956 5.075 4.120 -0.000 0.000 0.291 401 V C 0.755 176.880 176.094 0.051 0.000 1.024 401 V CA 0.585 62.969 62.300 0.141 0.000 0.861 401 V CB 0.969 32.895 31.823 0.171 0.000 0.985 401 V HN 1.369 nan 8.190 nan 0.000 0.436 402 G N 2.625 111.517 108.800 0.154 0.000 2.727 402 G HA2 0.559 4.519 3.960 -0.000 0.000 0.289 402 G HA3 0.559 4.519 3.960 -0.000 0.000 0.289 402 G C -1.969 173.025 174.900 0.157 0.000 1.418 402 G CA -0.590 44.528 45.100 0.031 0.000 0.818 402 G HN 0.604 nan 8.290 nan 0.000 0.486 403 D N -0.903 119.555 120.400 0.097 0.000 2.329 403 D HA 0.280 4.920 4.640 -0.000 0.000 0.232 403 D C 1.474 177.937 176.300 0.272 0.000 1.088 403 D CA -0.399 53.711 54.000 0.184 0.000 0.835 403 D CB 1.284 42.197 40.800 0.190 0.000 1.078 403 D HN 0.511 nan 8.370 nan 0.000 0.495 404 E N 2.623 122.983 120.200 0.266 0.000 2.268 404 E HA -0.180 4.169 4.350 -0.000 0.000 0.195 404 E C 0.798 177.514 176.600 0.193 0.000 0.995 404 E CA 0.889 57.440 56.400 0.251 0.000 0.836 404 E CB 0.106 29.867 29.700 0.102 0.000 0.763 404 E HN 0.591 nan 8.360 nan 0.000 0.491 405 E N 0.563 120.858 120.200 0.159 0.000 2.051 405 E HA -0.099 4.250 4.350 -0.000 0.000 0.189 405 E C 2.013 178.685 176.600 0.120 0.000 0.979 405 E CA 1.790 58.264 56.400 0.123 0.000 0.803 405 E CB 0.129 29.893 29.700 0.105 0.000 0.761 405 E HN 0.482 nan 8.360 nan 0.000 0.451 406 T N -2.531 112.102 114.554 0.132 0.000 3.040 406 T HA 0.066 4.416 4.350 -0.000 0.000 0.250 406 T C 0.527 175.283 174.700 0.094 0.000 1.058 406 T CA 0.587 62.750 62.100 0.105 0.000 0.988 406 T CB 0.307 69.239 68.868 0.107 0.000 0.993 406 T HN 0.075 nan 8.240 nan 0.000 0.519 407 D N -0.684 119.792 120.400 0.126 0.000 3.079 407 D HA -0.144 4.496 4.640 -0.000 0.000 0.214 407 D C -0.303 175.972 176.300 -0.041 0.000 1.145 407 D CA 0.436 54.490 54.000 0.089 0.000 0.958 407 D CB -1.724 39.151 40.800 0.125 0.000 1.117 407 D HN 0.523 nan 8.370 nan 0.000 0.416 408 L N 0.586 121.796 121.223 -0.022 0.000 2.416 408 L HA 0.397 4.736 4.340 -0.000 0.000 0.272 408 L C -0.133 176.642 176.870 -0.158 0.000 1.161 408 L CA -0.258 54.538 54.840 -0.074 0.000 0.845 408 L CB 0.642 42.681 42.059 -0.034 0.000 1.119 408 L HN 0.220 nan 8.230 nan 0.000 0.464 409 L N 5.523 126.642 121.223 -0.173 0.000 2.367 409 L HA 0.215 4.555 4.340 -0.000 0.000 0.275 409 L C 0.289 177.048 176.870 -0.185 0.000 1.129 409 L CA 0.660 55.380 54.840 -0.200 0.000 0.839 409 L CB 0.554 42.507 42.059 -0.176 0.000 1.133 409 L HN 0.781 nan 8.230 nan 0.000 0.453 410 L N 4.262 125.371 121.223 -0.189 0.000 2.577 410 L HA 0.529 4.869 4.340 -0.000 0.000 0.225 410 L C 0.841 177.642 176.870 -0.116 0.000 1.053 410 L CA 0.268 54.986 54.840 -0.202 0.000 0.866 410 L CB 0.144 42.025 42.059 -0.296 0.000 1.132 410 L HN 0.775 nan 8.230 nan 0.000 0.486 411 G N -0.330 108.414 108.800 -0.094 0.000 2.667 411 G HA2 0.559 4.519 3.960 -0.000 0.000 0.294 411 G HA3 0.559 4.519 3.960 -0.000 0.000 0.294 411 G C -1.975 172.784 174.900 -0.235 0.000 1.467 411 G CA -0.315 44.702 45.100 -0.139 0.000 0.852 411 G HN -0.279 nan 8.290 nan 0.000 0.521 412 V N 0.419 119.976 119.914 -0.595 0.000 2.760 412 V HA 0.739 4.859 4.120 -0.000 0.000 0.309 412 V C -1.349 174.141 176.094 -1.008 0.000 1.077 412 V CA -0.706 61.287 62.300 -0.513 0.000 0.910 412 V CB 1.714 33.337 31.823 -0.334 0.000 1.008 412 V HN 0.651 nan 8.190 nan 0.000 0.424 413 F N 4.321 124.168 119.950 -0.171 0.000 2.561 413 F HA 0.734 5.261 4.527 -0.000 0.000 0.313 413 F C -0.213 175.406 175.800 -0.302 0.000 1.126 413 F CA -0.563 57.249 58.000 -0.314 0.000 0.918 413 F CB 1.853 40.743 39.000 -0.183 0.000 1.199 413 F HN 0.201 nan 8.300 nan 0.000 0.444 414 I N 3.521 123.885 120.570 -0.344 0.000 2.545 414 I HA 0.633 4.803 4.170 -0.000 0.000 0.292 414 I C -1.343 174.615 176.117 -0.266 0.000 1.040 414 I CA -1.219 59.941 61.300 -0.234 0.000 1.068 414 I CB 2.353 40.228 38.000 -0.208 0.000 1.251 414 I HN 0.345 nan 8.210 nan 0.000 0.424 415 V N 5.175 125.041 119.914 -0.080 0.000 2.525 415 V HA 1.003 5.123 4.120 -0.000 0.000 0.299 415 V C -0.274 175.839 176.094 0.031 0.000 1.034 415 V CA 0.384 62.696 62.300 0.021 0.000 0.863 415 V CB 1.256 33.166 31.823 0.145 0.000 0.999 415 V HN 1.070 nan 8.190 nan 0.000 0.423 416 G N 6.497 115.319 108.800 0.035 0.000 2.359 416 G HA2 0.271 4.231 3.960 -0.000 0.000 0.293 416 G HA3 0.271 4.231 3.960 -0.000 0.000 0.293 416 G C -3.509 171.406 174.900 0.025 0.000 1.300 416 G CA -0.296 44.825 45.100 0.035 0.000 0.888 416 G HN 0.676 nan 8.290 nan 0.000 0.541 417 P HA 0.215 nan 4.420 nan 0.000 0.271 417 P C -0.261 177.039 177.300 0.001 0.000 1.218 417 P CA 0.638 63.751 63.100 0.022 0.000 0.780 417 P CB 1.085 32.800 31.700 0.026 0.000 0.901 418 Q N -0.067 119.730 119.800 -0.006 0.000 2.452 418 Q HA -0.272 4.068 4.340 -0.000 0.000 0.248 418 Q C 1.347 177.311 176.000 -0.061 0.000 0.874 418 Q CA 1.349 57.137 55.803 -0.025 0.000 1.208 418 Q CB -2.798 25.932 28.738 -0.013 0.000 1.569 418 Q HN 0.706 nan 8.270 nan 0.000 0.579 419 A N 0.161 122.934 122.820 -0.077 0.000 1.917 419 A HA -0.062 4.258 4.320 -0.000 0.000 0.219 419 A C 2.216 179.701 177.584 -0.165 0.000 1.182 419 A CA 2.263 54.228 52.037 -0.120 0.000 0.633 419 A CB -0.907 18.017 19.000 -0.127 0.000 0.819 419 A HN 0.628 nan 8.150 nan 0.000 0.448 420 G N -0.854 107.822 108.800 -0.206 0.000 2.448 420 G HA2 -0.169 3.791 3.960 -0.000 0.000 0.219 420 G HA3 -0.169 3.791 3.960 -0.000 0.000 0.219 420 G C 1.359 176.164 174.900 -0.158 0.000 1.127 420 G CA 0.983 45.930 45.100 -0.256 0.000 0.766 420 G HN 0.528 nan 8.290 nan 0.000 0.552 421 E N 0.135 120.271 120.200 -0.106 0.000 2.230 421 E HA 0.085 4.435 4.350 -0.000 0.000 0.192 421 E C 2.587 179.143 176.600 -0.074 0.000 0.987 421 E CA 0.201 56.560 56.400 -0.068 0.000 0.841 421 E CB -0.036 29.642 29.700 -0.037 0.000 0.783 421 E HN 0.465 nan 8.360 nan 0.000 0.481 422 L N 0.130 121.302 121.223 -0.084 0.000 2.341 422 L HA 0.012 4.351 4.340 -0.000 0.000 0.214 422 L C 2.299 179.107 176.870 -0.104 0.000 1.115 422 L CA 0.059 54.853 54.840 -0.076 0.000 0.820 422 L CB -0.169 41.851 42.059 -0.066 0.000 0.944 422 L HN 0.034 nan 8.230 nan 0.000 0.452 423 I N 0.764 121.248 120.570 -0.143 0.000 2.567 423 I HA -0.198 3.971 4.170 -0.000 0.000 0.257 423 I C 2.529 178.560 176.117 -0.143 0.000 1.184 423 I CA 0.973 62.169 61.300 -0.173 0.000 1.451 423 I CB -0.244 37.627 38.000 -0.215 0.000 1.089 423 I HN 0.137 nan 8.210 nan 0.000 0.441 424 A N -0.417 122.331 122.820 -0.120 0.000 1.933 424 A HA -0.271 4.049 4.320 -0.000 0.000 0.218 424 A C 2.371 179.901 177.584 -0.089 0.000 1.175 424 A CA 1.893 53.867 52.037 -0.104 0.000 0.628 424 A CB -0.725 18.221 19.000 -0.090 0.000 0.814 424 A HN 0.568 nan 8.150 nan 0.000 0.444 425 E N -0.133 120.019 120.200 -0.080 0.000 2.110 425 E HA -0.138 4.212 4.350 -0.000 0.000 0.193 425 E C 2.110 178.666 176.600 -0.073 0.000 0.988 425 E CA 1.003 57.362 56.400 -0.067 0.000 0.804 425 E CB -0.223 29.453 29.700 -0.041 0.000 0.745 425 E HN 0.551 nan 8.360 nan 0.000 0.458 426 A N 1.121 123.884 122.820 -0.096 0.000 1.930 426 A HA -0.026 4.294 4.320 -0.000 0.000 0.217 426 A C 2.369 179.885 177.584 -0.114 0.000 1.175 426 A CA 1.543 53.509 52.037 -0.119 0.000 0.627 426 A CB -0.611 18.285 19.000 -0.173 0.000 0.815 426 A HN 0.396 nan 8.150 nan 0.000 0.443 427 A N -0.302 122.453 122.820 -0.108 0.000 1.902 427 A HA -0.052 4.268 4.320 -0.000 0.000 0.217 427 A C 2.138 179.684 177.584 -0.063 0.000 1.181 427 A CA 1.780 53.767 52.037 -0.084 0.000 0.623 427 A CB -0.627 18.326 19.000 -0.079 0.000 0.818 427 A HN 0.716 nan 8.150 nan 0.000 0.443 428 L N -0.197 120.987 121.223 -0.065 0.000 2.017 428 L HA -0.030 4.309 4.340 -0.000 0.000 0.208 428 L C 2.673 179.512 176.870 -0.052 0.000 1.073 428 L CA 2.267 57.074 54.840 -0.054 0.000 0.745 428 L CB -0.989 41.035 42.059 -0.058 0.000 0.894 428 L HN 0.346 nan 8.230 nan 0.000 0.432 429 A N -0.183 122.600 122.820 -0.061 0.000 1.903 429 A HA -0.244 4.076 4.320 -0.000 0.000 0.219 429 A C 2.295 179.842 177.584 -0.062 0.000 1.191 429 A CA 2.405 54.404 52.037 -0.062 0.000 0.638 429 A CB -1.121 17.836 19.000 -0.072 0.000 0.823 429 A HN 0.542 nan 8.150 nan 0.000 0.451 430 L N -0.800 120.382 121.223 -0.068 0.000 2.046 430 L HA -0.178 4.161 4.340 -0.000 0.000 0.208 430 L C 2.654 179.502 176.870 -0.037 0.000 1.077 430 L CA 1.392 56.195 54.840 -0.061 0.000 0.747 430 L CB -0.663 41.356 42.059 -0.066 0.000 0.896 430 L HN 0.379 nan 8.230 nan 0.000 0.432 431 E N -0.197 119.987 120.200 -0.026 0.000 2.153 431 E HA -0.164 4.186 4.350 -0.000 0.000 0.194 431 E C 2.007 178.599 176.600 -0.013 0.000 0.988 431 E CA 1.030 57.425 56.400 -0.007 0.000 0.811 431 E CB -0.073 29.632 29.700 0.009 0.000 0.746 431 E HN 0.431 nan 8.360 nan 0.000 0.466 432 M N -0.743 118.843 119.600 -0.023 0.000 2.561 432 M HA 0.138 4.618 4.480 -0.000 0.000 0.238 432 M C 0.877 177.163 176.300 -0.024 0.000 1.131 432 M CA 0.413 55.699 55.300 -0.023 0.000 1.046 432 M CB -0.363 32.219 32.600 -0.029 0.000 1.532 432 M HN 0.128 nan 8.290 nan 0.000 0.497 433 G N 1.691 110.475 108.800 -0.027 0.000 2.273 433 G HA2 -0.169 3.791 3.960 -0.000 0.000 0.280 433 G HA3 -0.169 3.791 3.960 -0.000 0.000 0.280 433 G C 0.333 175.213 174.900 -0.033 0.000 1.047 433 G CA 0.310 45.395 45.100 -0.026 0.000 0.869 433 G HN 0.775 nan 8.290 nan 0.000 0.502 434 A N -0.189 122.603 122.820 -0.046 0.000 2.386 434 A HA 0.819 5.139 4.320 -0.000 0.000 0.248 434 A C 1.028 178.570 177.584 -0.070 0.000 1.082 434 A CA 0.959 52.965 52.037 -0.052 0.000 0.789 434 A CB 0.433 19.399 19.000 -0.056 0.000 1.025 434 A HN 1.798 nan 8.150 nan 0.000 0.490 435 T N -0.588 113.926 114.554 -0.066 0.000 2.936 435 T HA 0.471 4.821 4.350 -0.000 0.000 0.282 435 T C 1.041 175.664 174.700 -0.129 0.000 1.003 435 T CA -0.872 61.175 62.100 -0.087 0.000 1.005 435 T CB 0.556 69.401 68.868 -0.038 0.000 1.097 435 T HN 0.285 nan 8.240 nan 0.000 0.532 436 L N 0.588 121.675 121.223 -0.227 0.000 2.131 436 L HA -0.067 4.273 4.340 -0.000 0.000 0.210 436 L C 2.787 179.613 176.870 -0.073 0.000 1.092 436 L CA 1.826 56.475 54.840 -0.319 0.000 0.759 436 L CB -1.971 39.574 42.059 -0.856 0.000 0.903 436 L HN 0.873 nan 8.230 nan 0.000 0.435 437 T N -0.718 113.872 114.554 0.059 0.000 2.777 437 T HA -0.144 4.206 4.350 -0.000 0.000 0.266 437 T C 1.479 176.188 174.700 0.016 0.000 1.040 437 T CA 1.182 63.327 62.100 0.075 0.000 1.141 437 T CB -0.092 68.796 68.868 0.034 0.000 0.868 437 T HN 0.297 nan 8.240 nan 0.000 0.444 438 D N 1.039 121.434 120.400 -0.009 0.000 2.123 438 D HA -0.068 4.572 4.640 -0.000 0.000 0.196 438 D C 2.036 178.336 176.300 -0.000 0.000 0.992 438 D CA 0.711 54.704 54.000 -0.012 0.000 0.833 438 D CB -0.385 40.400 40.800 -0.025 0.000 0.954 438 D HN 0.195 nan 8.370 nan 0.000 0.455 439 L N 0.964 122.180 121.223 -0.012 0.000 2.056 439 L HA -0.021 4.319 4.340 -0.000 0.000 0.207 439 L C 2.158 179.057 176.870 0.048 0.000 1.078 439 L CA 1.667 56.518 54.840 0.019 0.000 0.749 439 L CB -0.820 41.214 42.059 -0.042 0.000 0.901 439 L HN -0.038 nan 8.230 nan 0.000 0.433 440 A N -0.893 121.932 122.820 0.007 0.000 1.972 440 A HA -0.104 4.215 4.320 -0.000 0.000 0.219 440 A C 2.139 179.741 177.584 0.029 0.000 1.169 440 A CA 1.662 53.702 52.037 0.005 0.000 0.635 440 A CB -0.729 18.296 19.000 0.041 0.000 0.810 440 A HN 0.483 nan 8.150 nan 0.000 0.446 441 L N -0.214 121.029 121.223 0.034 0.000 2.591 441 L HA 0.047 4.387 4.340 -0.000 0.000 0.228 441 L C 0.220 177.114 176.870 0.039 0.000 1.133 441 L CA -0.061 54.796 54.840 0.028 0.000 0.880 441 L CB -0.256 41.809 42.059 0.010 0.000 1.033 441 L HN 0.132 nan 8.230 nan 0.000 0.450 442 T N 0.807 115.405 114.554 0.073 0.000 2.832 442 T HA 0.188 4.537 4.350 -0.000 0.000 0.296 442 T C 0.257 175.022 174.700 0.109 0.000 0.968 442 T CA -0.205 61.918 62.100 0.039 0.000 1.107 442 T CB 1.884 70.744 68.868 -0.013 0.000 0.916 442 T HN -0.223 nan 8.240 nan 0.000 0.517 443 V N 5.891 125.821 119.914 0.027 0.000 2.370 443 V HA 0.125 4.245 4.120 -0.000 0.000 0.257 443 V C 0.168 176.282 176.094 0.033 0.000 1.064 443 V CA -0.487 61.852 62.300 0.064 0.000 0.975 443 V CB -0.908 30.928 31.823 0.022 0.000 1.067 443 V HN 0.785 nan 8.190 nan 0.000 0.485 444 H N 6.078 125.141 119.070 -0.012 0.000 2.525 444 H HA 0.378 4.934 4.556 -0.001 0.000 0.339 444 H C -1.938 173.399 175.328 0.016 0.000 1.109 444 H CA -1.753 54.290 56.048 -0.009 0.000 1.352 444 H CB 0.466 30.216 29.762 -0.020 0.000 1.461 444 H HN 0.453 nan 8.280 nan 0.000 0.533 445 P HA 0.029 nan 4.420 nan 0.000 0.269 445 P C -0.642 176.727 177.300 0.116 0.000 1.209 445 P CA 0.022 63.172 63.100 0.084 0.000 0.776 445 P CB 0.898 32.617 31.700 0.031 0.000 0.876 446 H N 2.815 121.900 119.070 0.025 0.000 2.489 446 H HA 0.513 5.069 4.556 0.000 0.000 0.343 446 H C -2.154 173.179 175.328 0.008 0.000 1.086 446 H CA -1.652 54.407 56.048 0.017 0.000 1.198 446 H CB 1.042 30.819 29.762 0.026 0.000 1.490 446 H HN 0.301 nan 8.280 nan 0.000 0.504 447 P HA 0.312 nan 4.420 nan 0.000 0.300 447 P C -1.320 175.831 177.300 -0.247 0.000 1.326 447 P CA -0.595 62.085 63.100 -0.700 0.000 0.844 447 P CB 1.849 33.089 31.700 -0.767 0.000 0.992 448 T N -1.168 113.306 114.554 -0.134 0.000 2.843 448 T HA 0.352 4.702 4.350 -0.000 0.000 0.302 448 T C 1.032 175.720 174.700 -0.021 0.000 1.232 448 T CA -0.888 61.180 62.100 -0.053 0.000 1.009 448 T CB 0.823 69.686 68.868 -0.008 0.000 1.254 448 T HN 0.105 nan 8.240 nan 0.000 0.504 449 L N 1.419 122.638 121.223 -0.007 0.000 2.217 449 L HA -0.007 4.333 4.340 -0.000 0.000 0.211 449 L C 3.057 179.936 176.870 0.015 0.000 1.107 449 L CA 1.422 56.269 54.840 0.011 0.000 0.783 449 L CB -0.570 41.493 42.059 0.007 0.000 0.919 449 L HN 0.955 nan 8.230 nan 0.000 0.442 450 S N -0.402 115.314 115.700 0.025 0.000 2.419 450 S HA -0.229 4.241 4.470 -0.000 0.000 0.235 450 S C 1.648 176.245 174.600 -0.006 0.000 1.019 450 S CA 1.196 59.433 58.200 0.061 0.000 0.982 450 S CB -0.369 62.919 63.200 0.146 0.000 0.789 450 S HN 0.495 nan 8.310 nan 0.000 0.490 451 E N 1.162 121.340 120.200 -0.037 0.000 2.209 451 E HA -0.092 4.258 4.350 -0.000 0.000 0.196 451 E C 2.085 178.503 176.600 -0.304 0.000 0.993 451 E CA 1.177 57.471 56.400 -0.176 0.000 0.819 451 E CB -0.284 29.386 29.700 -0.050 0.000 0.745 451 E HN 0.605 nan 8.360 nan 0.000 0.477 452 S N 0.817 116.425 115.700 -0.153 0.000 2.400 452 S HA -0.134 4.336 4.470 -0.000 0.000 0.232 452 S C 1.855 176.353 174.600 -0.170 0.000 1.025 452 S CA 0.644 58.785 58.200 -0.099 0.000 0.993 452 S CB -0.080 63.230 63.200 0.183 0.000 0.808 452 S HN 0.252 nan 8.310 nan 0.000 0.478 453 L N 0.654 121.762 121.223 -0.191 0.000 2.072 453 L HA -0.036 4.304 4.340 -0.000 0.000 0.205 453 L C 2.487 179.181 176.870 -0.293 0.000 1.079 453 L CA 1.197 55.927 54.840 -0.183 0.000 0.752 453 L CB -0.278 41.710 42.059 -0.119 0.000 0.906 453 L HN 0.403 nan 8.230 nan 0.000 0.436 454 M N -0.502 118.765 119.600 -0.555 0.000 2.117 454 M HA -0.252 4.228 4.480 -0.000 0.000 0.262 454 M C 1.945 178.043 176.300 -0.338 0.000 1.065 454 M CA 1.854 56.833 55.300 -0.536 0.000 1.114 454 M CB -0.082 32.034 32.600 -0.807 0.000 1.361 454 M HN 0.217 nan 8.290 nan 0.000 0.408 455 E N 0.018 119.947 120.200 -0.451 0.000 2.208 455 E HA -0.103 4.247 4.350 -0.000 0.000 0.193 455 E C 1.950 178.398 176.600 -0.252 0.000 0.988 455 E CA 0.931 57.037 56.400 -0.490 0.000 0.828 455 E CB -0.113 28.884 29.700 -1.170 0.000 0.763 455 E HN 0.646 nan 8.360 nan 0.000 0.478 456 A N 1.635 124.362 122.820 -0.156 0.000 1.930 456 A HA -0.070 4.250 4.320 -0.000 0.000 0.217 456 A C 2.387 179.988 177.584 0.027 0.000 1.175 456 A CA 1.524 53.586 52.037 0.043 0.000 0.627 456 A CB -0.415 18.623 19.000 0.062 0.000 0.815 456 A HN 0.274 nan 8.150 nan 0.000 0.443 457 A N -0.530 122.257 122.820 -0.055 0.000 1.930 457 A HA -0.099 4.221 4.320 -0.000 0.000 0.217 457 A C 1.954 179.545 177.584 0.012 0.000 1.175 457 A CA 1.491 53.484 52.037 -0.072 0.000 0.627 457 A CB -0.328 18.603 19.000 -0.115 0.000 0.815 457 A HN 0.458 nan 8.150 nan 0.000 0.443 458 E N -0.040 120.169 120.200 0.014 0.000 2.106 458 E HA -0.090 4.260 4.350 -0.000 0.000 0.192 458 E C 2.319 178.986 176.600 0.112 0.000 0.984 458 E CA 1.121 57.566 56.400 0.074 0.000 0.806 458 E CB -0.463 29.239 29.700 0.003 0.000 0.750 458 E HN 0.565 nan 8.360 nan 0.000 0.458 459 A N 0.825 123.703 122.820 0.098 0.000 1.972 459 A HA -0.164 4.156 4.320 -0.000 0.000 0.219 459 A C 1.995 179.643 177.584 0.106 0.000 1.169 459 A CA 0.911 53.019 52.037 0.118 0.000 0.635 459 A CB -0.774 18.319 19.000 0.155 0.000 0.810 459 A HN 0.282 nan 8.150 nan 0.000 0.446 460 F N 0.472 120.372 119.950 -0.084 0.000 2.161 460 F HA -0.198 4.329 4.527 -0.001 0.000 0.300 460 F C 1.741 177.415 175.800 -0.209 0.000 1.089 460 F CA 2.101 59.991 58.000 -0.184 0.000 1.282 460 F CB -0.290 38.520 39.000 -0.317 0.000 1.010 460 F HN 0.436 nan 8.300 nan 0.000 0.485 461 H N 0.533 119.764 119.070 0.269 0.000 2.537 461 H HA 0.186 4.742 4.556 -0.000 0.000 0.295 461 H C 0.055 175.418 175.328 0.059 0.000 1.054 461 H CA -0.260 55.880 56.048 0.154 0.000 1.156 461 H CB 0.042 29.911 29.762 0.178 0.000 1.468 461 H HN -0.102 nan 8.280 nan 0.000 0.551 462 K N 0.888 121.357 120.400 0.114 0.000 3.071 462 K HA -0.249 4.071 4.320 -0.000 0.000 0.265 462 K C -0.017 176.627 176.600 0.075 0.000 1.060 462 K CA 1.031 57.360 56.287 0.070 0.000 0.767 462 K CB -2.028 30.497 32.500 0.042 0.000 1.241 462 K HN 0.786 nan 8.250 nan 0.000 0.486 463 Q N -1.965 117.889 119.800 0.090 0.000 2.088 463 Q HA 0.499 4.839 4.340 -0.000 0.000 0.270 463 Q C 0.081 176.105 176.000 0.040 0.000 0.854 463 Q CA -0.016 55.822 55.803 0.058 0.000 1.104 463 Q CB 0.885 29.656 28.738 0.055 0.000 1.251 463 Q HN 0.254 nan 8.270 nan 0.000 0.436 464 A N 1.107 123.962 122.820 0.058 0.000 2.483 464 A HA 0.226 4.546 4.320 -0.000 0.000 0.238 464 A C 0.905 178.501 177.584 0.019 0.000 1.070 464 A CA -0.201 51.865 52.037 0.048 0.000 0.770 464 A CB 0.189 19.275 19.000 0.143 0.000 1.008 464 A HN 0.455 nan 8.150 nan 0.000 0.497 465 I N 0.768 121.305 120.570 -0.055 0.000 2.429 465 I HA -0.059 4.111 4.170 -0.000 0.000 0.247 465 I C 1.554 177.571 176.117 -0.166 0.000 1.099 465 I CA 1.529 62.727 61.300 -0.171 0.000 1.422 465 I CB -1.609 36.175 38.000 -0.359 0.000 1.112 465 I HN 0.833 nan 8.210 nan 0.000 0.430 466 H N 1.315 120.473 119.070 0.147 0.000 2.543 466 H HA 0.274 4.830 4.556 -0.000 0.000 0.269 466 H C 0.338 175.789 175.328 0.205 0.000 1.005 466 H CA 0.076 56.246 56.048 0.204 0.000 1.146 466 H CB -0.068 29.874 29.762 0.301 0.000 1.353 466 H HN 0.325 nan 8.280 nan 0.000 0.595 467 I N -3.046 117.678 120.570 0.257 0.000 2.894 467 I HA 0.318 4.488 4.170 -0.000 0.000 0.302 467 I C -1.050 175.125 176.117 0.096 0.000 1.188 467 I CA -1.373 60.018 61.300 0.151 0.000 1.014 467 I CB 2.336 40.418 38.000 0.137 0.000 1.242 467 I HN -0.185 nan 8.210 nan 0.000 0.430 468 L N 4.429 125.687 121.223 0.058 0.000 2.380 468 L HA 0.340 4.680 4.340 -0.000 0.000 0.273 468 L C 0.417 177.312 176.870 0.042 0.000 1.138 468 L CA -0.137 54.727 54.840 0.040 0.000 0.832 468 L CB 0.196 42.270 42.059 0.026 0.000 1.124 468 L HN 0.659 nan 8.230 nan 0.000 0.454 469 N N 0.000 118.723 118.700 0.038 0.000 1.763 469 N HA 0.000 4.740 4.740 -0.000 0.000 0.220 469 N CA 0.000 53.072 53.050 0.037 0.000 0.885 469 N CB 0.000 38.510 38.487 0.039 0.000 1.341 469 N HN 0.000 nan 8.380 nan 0.000 0.667