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 1fko_1_A DATA FIRST_RESID 1 DATA SEQUENCE PISPIETVPV KLKPGMDGPK VKQWPLTEEK IKALVEICTE MEKEGKISKI DATA SEQUENCE GPENPYNTPV FAIKKKDSTK WRKLVDFREL NKRTQDFWEV QLGIPHPAGL DATA SEQUENCE KKNKSVTVLD VGDAYFSVPL DEDFRKYTAF TIPSINNETP GIRYQYNVLP DATA SEQUENCE QGWKGSPAIF QSSMTKILEP FRKQNPDIVI YQYMDDLYVG SDLEIGQHRT DATA SEQUENCE KIEELRQHLL RWGLTTPDKK HQKEPPFLWM GYELHPDKWT VQPIVLPEKD DATA SEQUENCE SWTVNDIQKL VGKLNWASQI YPGIKVRQLX KLLRGTKALT EVIPLTEEAE DATA SEQUENCE LELAENREIL KEPVHGVYYD PSKDLIAEIQ KQGQGQWTYQ IYQEPFKNLK DATA SEQUENCE TGKYARMRGA HTNDVKQLTE AVQKITTESI VIWGKTPKFK LPIQKETWET DATA SEQUENCE WWTEYWQATW IPEWEFVNTP PLVKLWYQLE KEPIVGAETF YVDGAANRET DATA SEQUENCE KLGKAGYVTN RGRQKVVTLT DTTNQKTELQ AIYLALQDSG LEVNIVTDSQ DATA SEQUENCE YALGIIQAQP DQSESELVNQ IIEQLIKKEK VYLAWVPAHK GIG 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 1 P HA 0.000 nan 4.420 nan 0.000 0.216 1 P C 0.000 177.371 177.300 0.118 0.000 1.155 1 P CA 0.000 63.156 63.100 0.093 0.000 0.800 1 P CB 0.000 31.755 31.700 0.091 0.000 0.726 2 I N 0.617 121.251 120.570 0.106 0.000 2.437 2 I HA 0.552 4.738 4.170 0.027 0.000 0.298 2 I C 0.090 176.278 176.117 0.119 0.000 0.984 2 I CA -0.360 61.011 61.300 0.118 0.000 1.214 2 I CB 1.605 39.665 38.000 0.100 0.000 1.365 2 I HN 0.353 nan 8.210 nan 0.000 0.469 3 S N 7.362 123.149 115.700 0.145 0.000 2.565 3 S HA 0.440 4.926 4.470 0.027 0.000 0.274 3 S C -1.576 173.116 174.600 0.154 0.000 1.309 3 S CA -1.274 57.031 58.200 0.175 0.000 1.043 3 S CB 1.019 64.346 63.200 0.211 0.000 0.939 3 S HN 0.594 nan 8.310 nan 0.000 0.504 4 P HA 0.208 nan 4.420 nan 0.000 0.261 4 P C 0.557 177.990 177.300 0.222 0.000 1.268 4 P CA -0.127 63.050 63.100 0.127 0.000 0.833 4 P CB 0.012 31.715 31.700 0.005 0.000 1.231 5 I N 0.661 121.430 120.570 0.331 0.000 2.836 5 I HA 0.058 4.245 4.170 0.027 0.000 0.285 5 I C 0.515 176.732 176.117 0.167 0.000 1.174 5 I CA -0.179 61.308 61.300 0.311 0.000 1.405 5 I CB 0.735 38.860 38.000 0.208 0.000 1.385 5 I HN -0.180 nan 8.210 nan 0.000 0.594 6 E N 4.463 124.742 120.200 0.131 0.000 2.392 6 E HA 0.061 4.427 4.350 0.027 0.000 0.264 6 E C -0.202 176.438 176.600 0.066 0.000 1.024 6 E CA 0.004 56.456 56.400 0.088 0.000 0.903 6 E CB 0.893 30.637 29.700 0.073 0.000 0.963 6 E HN 0.647 nan 8.360 nan 0.000 0.432 7 T N -1.418 113.174 114.554 0.063 0.000 2.899 7 T HA 0.251 4.617 4.350 0.027 0.000 0.295 7 T C 0.309 175.041 174.700 0.053 0.000 1.033 7 T CA -0.853 61.280 62.100 0.056 0.000 1.084 7 T CB 0.857 69.762 68.868 0.062 0.000 0.979 7 T HN 0.077 nan 8.240 nan 0.000 0.532 8 V N 5.883 125.829 119.914 0.053 0.000 2.432 8 V HA 0.308 4.444 4.120 0.027 0.000 0.271 8 V C -1.688 174.457 176.094 0.086 0.000 1.046 8 V CA -1.789 60.549 62.300 0.065 0.000 0.945 8 V CB 0.698 32.564 31.823 0.072 0.000 0.992 8 V HN 0.858 nan 8.190 nan 0.000 0.471 9 P HA 0.131 nan 4.420 nan 0.000 0.266 9 P C -0.783 176.574 177.300 0.095 0.000 1.215 9 P CA 0.271 63.423 63.100 0.087 0.000 0.763 9 P CB 0.963 32.702 31.700 0.065 0.000 0.806 10 V N 4.852 124.839 119.914 0.122 0.000 2.769 10 V HA 0.517 4.653 4.120 0.027 0.000 0.312 10 V C 0.260 176.488 176.094 0.224 0.000 1.061 10 V CA -0.632 61.725 62.300 0.095 0.000 0.931 10 V CB 2.263 34.044 31.823 -0.070 0.000 1.010 10 V HN 0.471 nan 8.190 nan 0.000 0.433 11 K N 3.041 123.536 120.400 0.158 0.000 2.477 11 K HA 0.685 5.022 4.320 0.027 0.000 0.255 11 K C -1.387 175.308 176.600 0.158 0.000 0.952 11 K CA -0.865 55.538 56.287 0.194 0.000 0.826 11 K CB 2.634 35.180 32.500 0.077 0.000 1.331 11 K HN 0.398 nan 8.250 nan 0.000 0.437 12 L N 1.749 123.027 121.223 0.092 0.000 2.466 12 L HA 0.251 4.607 4.340 0.027 0.000 0.257 12 L C 0.530 177.389 176.870 -0.019 0.000 1.189 12 L CA -0.487 54.353 54.840 0.000 0.000 0.813 12 L CB 0.213 42.142 42.059 -0.217 0.000 1.118 12 L HN 0.409 nan 8.230 nan 0.000 0.471 13 K N 1.856 122.242 120.400 -0.023 0.000 2.440 13 K HA 0.041 4.377 4.320 0.027 0.000 0.270 13 K C -2.097 174.489 176.600 -0.023 0.000 0.980 13 K CA -1.150 55.121 56.287 -0.027 0.000 0.953 13 K CB -0.098 32.392 32.500 -0.016 0.000 0.925 13 K HN 0.373 nan 8.250 nan 0.000 0.497 14 P HA -0.136 nan 4.420 nan 0.000 0.251 14 P C 0.137 177.434 177.300 -0.005 0.000 1.154 14 P CA 0.791 63.884 63.100 -0.011 0.000 0.805 14 P CB -0.237 31.456 31.700 -0.011 0.000 0.759 15 G N 3.025 111.824 108.800 -0.001 0.000 2.298 15 G HA2 -0.230 3.746 3.960 0.027 0.000 0.287 15 G HA3 -0.230 3.746 3.960 0.027 0.000 0.287 15 G C -0.137 174.765 174.900 0.004 0.000 1.075 15 G CA -0.161 44.943 45.100 0.006 0.000 0.960 15 G HN 0.515 nan 8.290 nan 0.000 0.502 16 M N -0.644 118.949 119.600 -0.011 0.000 2.619 16 M HA 0.519 5.016 4.480 0.027 0.000 0.297 16 M C -0.801 175.474 176.300 -0.042 0.000 1.229 16 M CA -0.862 54.428 55.300 -0.018 0.000 0.860 16 M CB 2.251 34.834 32.600 -0.029 0.000 1.741 16 M HN 0.186 nan 8.290 nan 0.000 0.462 17 D N 0.118 120.508 120.400 -0.016 0.000 2.340 17 D HA 0.589 5.245 4.640 0.027 0.000 0.240 17 D C 0.130 176.380 176.300 -0.084 0.000 1.001 17 D CA 0.058 54.062 54.000 0.006 0.000 0.888 17 D CB 1.778 42.675 40.800 0.160 0.000 1.310 17 D HN 0.691 nan 8.370 nan 0.000 0.474 18 G N 1.362 109.997 108.800 -0.275 0.000 2.855 18 G HA2 0.163 4.140 3.960 0.027 0.000 0.248 18 G HA3 0.163 4.140 3.960 0.027 0.000 0.248 18 G C -2.267 172.613 174.900 -0.033 0.000 1.243 18 G CA -0.746 44.065 45.100 -0.481 0.000 0.881 18 G HN 0.425 nan 8.290 nan 0.000 0.598 19 P HA 0.271 nan 4.420 nan 0.000 0.276 19 P C -0.521 176.939 177.300 0.266 0.000 1.235 19 P CA 0.082 63.279 63.100 0.163 0.000 0.772 19 P CB 0.771 32.569 31.700 0.162 0.000 0.871 20 K N 2.263 122.787 120.400 0.207 0.000 2.800 20 K HA 0.304 4.640 4.320 0.027 0.000 0.185 20 K C -0.568 176.104 176.600 0.119 0.000 1.082 20 K CA -0.359 56.032 56.287 0.173 0.000 0.978 20 K CB 0.578 33.166 32.500 0.147 0.000 1.364 20 K HN 0.193 nan 8.250 nan 0.000 0.592 21 V N 1.101 121.091 119.914 0.126 0.000 3.234 21 V HA 0.323 4.459 4.120 0.027 0.000 0.317 21 V C 0.454 176.601 176.094 0.088 0.000 1.081 21 V CA -0.830 61.534 62.300 0.107 0.000 1.037 21 V CB 1.396 33.299 31.823 0.133 0.000 1.148 21 V HN 0.490 nan 8.190 nan 0.000 0.453 22 K N 0.811 121.252 120.400 0.068 0.000 2.240 22 K HA 0.664 5.000 4.320 0.027 0.000 0.237 22 K C -0.784 175.888 176.600 0.121 0.000 1.027 22 K CA -0.774 55.537 56.287 0.040 0.000 0.937 22 K CB 0.799 33.258 32.500 -0.067 0.000 1.171 22 K HN 0.403 nan 8.250 nan 0.000 0.479 23 Q N 0.917 120.790 119.800 0.123 0.000 2.464 23 Q HA 0.207 4.563 4.340 0.027 0.000 0.256 23 Q C -1.885 174.282 176.000 0.277 0.000 1.020 23 Q CA -0.456 55.485 55.803 0.230 0.000 0.716 23 Q CB 0.272 29.107 28.738 0.161 0.000 1.230 23 Q HN 0.565 nan 8.270 nan 0.000 0.494 24 W N 4.846 126.211 121.300 0.108 0.000 2.672 24 W HA 0.008 4.684 4.660 0.027 0.000 0.329 24 W C -1.702 174.878 176.519 0.101 0.000 1.085 24 W CA -0.371 57.054 57.345 0.133 0.000 1.303 24 W CB -0.351 29.248 29.460 0.232 0.000 1.150 24 W HN 0.465 nan 8.180 nan 0.000 0.561 25 P HA 0.191 nan 4.420 nan 0.000 0.271 25 P C -0.576 176.840 177.300 0.193 0.000 1.220 25 P CA 0.224 63.426 63.100 0.169 0.000 0.768 25 P CB 0.841 32.605 31.700 0.106 0.000 0.848 26 L N 2.050 123.356 121.223 0.140 0.000 2.286 26 L HA 0.488 4.845 4.340 0.027 0.000 0.265 26 L C 1.026 177.932 176.870 0.059 0.000 1.012 26 L CA -0.846 54.061 54.840 0.112 0.000 0.818 26 L CB 1.630 43.746 42.059 0.095 0.000 1.337 26 L HN 0.253 nan 8.230 nan 0.000 0.438 27 T N -0.925 113.651 114.554 0.037 0.000 2.849 27 T HA 0.010 4.377 4.350 0.027 0.000 0.284 27 T C 1.020 175.694 174.700 -0.044 0.000 1.004 27 T CA -0.382 61.723 62.100 0.009 0.000 1.021 27 T CB 1.403 70.284 68.868 0.023 0.000 1.013 27 T HN 0.696 nan 8.240 nan 0.000 0.527 28 E N 0.624 120.798 120.200 -0.042 0.000 2.097 28 E HA -0.238 4.128 4.350 0.027 0.000 0.196 28 E C 1.759 178.272 176.600 -0.145 0.000 1.000 28 E CA 1.308 57.668 56.400 -0.066 0.000 0.804 28 E CB 0.124 29.799 29.700 -0.042 0.000 0.740 28 E HN 0.520 nan 8.360 nan 0.000 0.454 29 E N 0.720 120.806 120.200 -0.190 0.000 2.017 29 E HA -0.170 4.197 4.350 0.027 0.000 0.193 29 E C 2.078 178.238 176.600 -0.734 0.000 0.997 29 E CA 1.081 57.241 56.400 -0.400 0.000 0.804 29 E CB -0.120 29.405 29.700 -0.293 0.000 0.757 29 E HN 0.274 nan 8.360 nan 0.000 0.448 30 K N 0.332 120.337 120.400 -0.657 0.000 2.113 30 K HA -0.147 4.190 4.320 0.027 0.000 0.208 30 K C 2.308 178.708 176.600 -0.334 0.000 1.047 30 K CA 1.233 57.157 56.287 -0.605 0.000 0.928 30 K CB -0.245 32.169 32.500 -0.143 0.000 0.716 30 K HN 0.186 nan 8.250 nan 0.000 0.446 31 I N 0.977 121.422 120.570 -0.209 0.000 2.286 31 I HA -0.225 3.961 4.170 0.027 0.000 0.245 31 I C 2.277 178.312 176.117 -0.138 0.000 1.104 31 I CA 1.036 62.271 61.300 -0.108 0.000 1.397 31 I CB -0.186 37.783 38.000 -0.051 0.000 1.072 31 I HN 0.112 nan 8.210 nan 0.000 0.417 32 K N 1.086 121.363 120.400 -0.204 0.000 2.044 32 K HA -0.224 4.112 4.320 0.027 0.000 0.210 32 K C 2.258 178.746 176.600 -0.186 0.000 1.049 32 K CA 1.781 57.960 56.287 -0.180 0.000 0.927 32 K CB -0.280 32.093 32.500 -0.212 0.000 0.713 32 K HN 0.328 nan 8.250 nan 0.000 0.443 33 A N 1.531 124.159 122.820 -0.321 0.000 1.835 33 A HA -0.182 4.155 4.320 0.027 0.000 0.215 33 A C 2.151 179.696 177.584 -0.065 0.000 1.199 33 A CA 1.381 53.293 52.037 -0.208 0.000 0.615 33 A CB -0.943 17.875 19.000 -0.303 0.000 0.838 33 A HN 0.207 nan 8.150 nan 0.000 0.444 34 L N -0.354 120.836 121.223 -0.054 0.000 2.034 34 L HA -0.285 4.071 4.340 0.027 0.000 0.217 34 L C 2.607 179.478 176.870 0.003 0.000 1.077 34 L CA 1.794 56.633 54.840 -0.001 0.000 0.769 34 L CB -0.730 41.341 42.059 0.019 0.000 0.890 34 L HN 0.308 nan 8.230 nan 0.000 0.435 35 V N -0.260 119.657 119.914 0.005 0.000 2.252 35 V HA -0.326 3.811 4.120 0.027 0.000 0.249 35 V C 2.366 178.473 176.094 0.021 0.000 1.056 35 V CA 2.194 64.514 62.300 0.033 0.000 1.022 35 V CB -0.591 31.247 31.823 0.025 0.000 0.641 35 V HN 0.502 nan 8.190 nan 0.000 0.445 36 E N -0.252 119.950 120.200 0.003 0.000 2.031 36 E HA -0.231 4.135 4.350 0.027 0.000 0.193 36 E C 2.163 178.769 176.600 0.010 0.000 0.994 36 E CA 1.601 58.007 56.400 0.010 0.000 0.800 36 E CB -0.303 29.401 29.700 0.006 0.000 0.752 36 E HN 0.446 nan 8.360 nan 0.000 0.447 37 I N 1.319 121.893 120.570 0.008 0.000 2.091 37 I HA -0.352 3.834 4.170 0.027 0.000 0.239 37 I C 2.533 178.632 176.117 -0.030 0.000 1.061 37 I CA 1.239 62.541 61.300 0.004 0.000 1.317 37 I CB -0.780 37.230 38.000 0.017 0.000 1.031 37 I HN 0.248 nan 8.210 nan 0.000 0.401 38 C N -0.336 118.917 119.300 -0.078 0.000 2.413 38 C HA -0.206 4.270 4.460 0.027 0.000 0.276 38 C C 2.839 177.741 174.990 -0.146 0.000 1.236 38 C CA 1.626 60.512 59.018 -0.221 0.000 1.735 38 C CB -1.582 25.905 27.740 -0.421 0.000 2.031 38 C HN 0.543 nan 8.230 nan 0.000 0.474 39 T N 0.405 114.943 114.554 -0.026 0.000 2.897 39 T HA -0.191 4.176 4.350 0.027 0.000 0.271 39 T C 1.618 176.337 174.700 0.032 0.000 1.084 39 T CA 1.890 64.018 62.100 0.047 0.000 1.123 39 T CB -0.272 68.632 68.868 0.059 0.000 0.865 39 T HN 0.659 nan 8.240 nan 0.000 0.496 40 E N 2.128 122.336 120.200 0.013 0.000 2.016 40 E HA -0.056 4.310 4.350 0.027 0.000 0.190 40 E C 2.173 178.791 176.600 0.031 0.000 0.985 40 E CA 1.153 57.567 56.400 0.023 0.000 0.802 40 E CB -0.392 29.320 29.700 0.019 0.000 0.762 40 E HN 0.619 nan 8.360 nan 0.000 0.448 41 M N -0.087 119.528 119.600 0.024 0.000 2.374 41 M HA 0.054 4.550 4.480 0.027 0.000 0.264 41 M C 2.004 178.330 176.300 0.042 0.000 1.067 41 M CA 1.809 57.140 55.300 0.052 0.000 1.103 41 M CB -0.443 32.204 32.600 0.077 0.000 1.402 41 M HN 0.028 nan 8.290 nan 0.000 0.444 42 E N 2.963 123.179 120.200 0.026 0.000 2.038 42 E HA -0.249 4.117 4.350 0.027 0.000 0.195 42 E C 2.008 178.658 176.600 0.083 0.000 1.000 42 E CA 2.510 58.963 56.400 0.088 0.000 0.803 42 E CB -0.292 29.506 29.700 0.164 0.000 0.750 42 E HN 0.729 nan 8.360 nan 0.000 0.448 43 K N 0.173 120.613 120.400 0.067 0.000 2.148 43 K HA -0.139 4.197 4.320 0.027 0.000 0.204 43 K C 1.936 178.570 176.600 0.056 0.000 1.050 43 K CA 1.558 57.879 56.287 0.057 0.000 0.942 43 K CB -0.166 32.362 32.500 0.048 0.000 0.724 43 K HN 0.189 nan 8.250 nan 0.000 0.446 44 E N 0.140 120.376 120.200 0.061 0.000 2.204 44 E HA -0.067 4.299 4.350 0.027 0.000 0.194 44 E C 0.947 177.591 176.600 0.075 0.000 0.989 44 E CA 0.792 57.234 56.400 0.069 0.000 0.824 44 E CB -0.003 29.747 29.700 0.084 0.000 0.756 44 E HN 0.720 nan 8.360 nan 0.000 0.477 45 G N 1.033 109.876 108.800 0.073 0.000 2.176 45 G HA2 -0.274 3.703 3.960 0.027 0.000 0.232 45 G HA3 -0.274 3.703 3.960 0.027 0.000 0.232 45 G C 0.970 175.915 174.900 0.075 0.000 0.986 45 G CA 0.512 45.654 45.100 0.070 0.000 0.643 45 G HN 0.077 nan 8.290 nan 0.000 0.522 46 K N 0.337 120.789 120.400 0.087 0.000 2.063 46 K HA 0.145 4.481 4.320 0.027 0.000 0.208 46 K C 1.583 178.182 176.600 -0.002 0.000 1.048 46 K CA 1.902 58.242 56.287 0.087 0.000 0.928 46 K CB -0.178 32.423 32.500 0.169 0.000 0.713 46 K HN 0.946 nan 8.250 nan 0.000 0.442 47 I N -4.514 116.050 120.570 -0.011 0.000 3.042 47 I HA 0.509 4.695 4.170 0.027 0.000 0.310 47 I C -0.765 175.418 176.117 0.110 0.000 1.117 47 I CA -0.965 60.327 61.300 -0.014 0.000 1.003 47 I CB 2.679 40.631 38.000 -0.080 0.000 1.228 47 I HN -0.309 nan 8.210 nan 0.000 0.443 48 S N 0.992 116.782 115.700 0.149 0.000 2.627 48 S HA 0.485 4.971 4.470 0.027 0.000 0.283 48 S C -0.981 173.647 174.600 0.046 0.000 1.127 48 S CA -1.011 57.264 58.200 0.126 0.000 0.863 48 S CB 2.029 65.253 63.200 0.040 0.000 1.121 48 S HN 0.502 nan 8.310 nan 0.000 0.479 49 K N 2.003 122.320 120.400 -0.138 0.000 2.276 49 K HA 0.454 4.791 4.320 0.027 0.000 0.283 49 K C -0.378 176.075 176.600 -0.245 0.000 1.044 49 K CA -0.141 55.907 56.287 -0.399 0.000 0.944 49 K CB 0.311 32.552 32.500 -0.431 0.000 1.012 49 K HN 0.565 nan 8.250 nan 0.000 0.472 50 I N -0.857 119.556 120.570 -0.263 0.000 2.530 50 I HA 0.495 4.682 4.170 0.027 0.000 0.297 50 I C 0.479 176.495 176.117 -0.167 0.000 1.011 50 I CA -1.019 60.175 61.300 -0.175 0.000 1.107 50 I CB 1.716 39.630 38.000 -0.143 0.000 1.285 50 I HN 0.514 nan 8.210 nan 0.000 0.436 51 G N 3.866 112.589 108.800 -0.128 0.000 2.611 51 G HA2 0.326 4.302 3.960 0.027 0.000 0.273 51 G HA3 0.326 4.302 3.960 0.027 0.000 0.273 51 G C -1.407 173.428 174.900 -0.108 0.000 1.305 51 G CA -0.992 44.040 45.100 -0.114 0.000 1.010 51 G HN 0.663 nan 8.290 nan 0.000 0.509 52 P HA -0.051 nan 4.420 nan 0.000 0.234 52 P C 1.098 178.338 177.300 -0.100 0.000 1.167 52 P CA 0.806 63.852 63.100 -0.091 0.000 0.763 52 P CB 0.172 31.826 31.700 -0.076 0.000 0.835 53 E N -0.357 119.784 120.200 -0.100 0.000 2.533 53 E HA -0.083 4.284 4.350 0.027 0.000 0.201 53 E C 0.152 176.665 176.600 -0.145 0.000 1.097 53 E CA 0.249 56.585 56.400 -0.107 0.000 0.887 53 E CB -0.751 28.896 29.700 -0.088 0.000 0.855 53 E HN 0.175 nan 8.360 nan 0.000 0.540 54 N N 1.866 120.472 118.700 -0.157 0.000 2.518 54 N HA 0.130 4.886 4.740 0.027 0.000 0.254 54 N C -2.058 173.294 175.510 -0.263 0.000 0.979 54 N CA -1.748 51.178 53.050 -0.208 0.000 0.930 54 N CB 1.761 40.180 38.487 -0.113 0.000 1.152 54 N HN -0.113 nan 8.380 nan 0.000 0.505 55 P HA 0.102 nan 4.420 nan 0.000 0.255 55 P C -0.703 176.385 177.300 -0.353 0.000 1.301 55 P CA 0.175 63.034 63.100 -0.401 0.000 0.817 55 P CB -0.047 31.398 31.700 -0.425 0.000 1.259 56 Y N 0.644 120.950 120.300 0.010 0.000 2.519 56 Y HA 0.611 5.177 4.550 0.027 0.000 0.324 56 Y C 0.812 176.744 175.900 0.053 0.000 1.214 56 Y CA -1.161 56.968 58.100 0.049 0.000 1.260 56 Y CB 0.789 39.294 38.460 0.073 0.000 1.311 56 Y HN -0.123 nan 8.280 nan 0.000 0.505 57 N N -1.446 117.416 118.700 0.271 0.000 3.049 57 N HA 0.466 5.222 4.740 0.027 0.000 0.244 57 N C -2.128 173.491 175.510 0.181 0.000 1.203 57 N CA -0.426 52.741 53.050 0.194 0.000 0.945 57 N CB 1.424 39.990 38.487 0.132 0.000 1.616 57 N HN 0.598 nan 8.380 nan 0.000 0.505 58 T N 2.382 117.031 114.554 0.159 0.000 2.916 58 T HA 0.531 4.897 4.350 0.027 0.000 0.298 58 T C -2.912 171.775 174.700 -0.021 0.000 1.031 58 T CA -0.954 61.181 62.100 0.059 0.000 0.993 58 T CB 2.115 70.975 68.868 -0.014 0.000 1.045 58 T HN 0.374 nan 8.240 nan 0.000 0.454 59 P HA 0.204 nan 4.420 nan 0.000 0.267 59 P C -0.769 176.132 177.300 -0.666 0.000 1.209 59 P CA -0.144 62.859 63.100 -0.162 0.000 0.763 59 P CB 0.554 32.303 31.700 0.080 0.000 0.816 60 V N 4.833 124.406 119.914 -0.568 0.000 2.769 60 V HA 0.519 4.655 4.120 0.027 0.000 0.312 60 V C 0.161 175.842 176.094 -0.689 0.000 1.058 60 V CA -0.279 61.644 62.300 -0.629 0.000 0.952 60 V CB 1.087 32.772 31.823 -0.230 0.000 1.019 60 V HN 0.382 nan 8.190 nan 0.000 0.445 61 F N 0.588 120.474 119.950 -0.106 0.000 2.664 61 F HA 0.895 5.438 4.527 0.027 0.000 0.329 61 F C 0.189 175.985 175.800 -0.006 0.000 1.090 61 F CA -1.407 56.535 58.000 -0.096 0.000 0.978 61 F CB 1.787 40.685 39.000 -0.170 0.000 1.378 61 F HN 0.538 nan 8.300 nan 0.000 0.495 62 A N 1.603 124.600 122.820 0.296 0.000 2.414 62 A HA 0.736 5.073 4.320 0.027 0.000 0.286 62 A C -1.919 175.867 177.584 0.336 0.000 1.073 62 A CA -0.416 51.820 52.037 0.332 0.000 0.727 62 A CB 0.968 20.184 19.000 0.360 0.000 1.215 62 A HN 0.641 nan 8.150 nan 0.000 0.430 63 I N 1.372 122.052 120.570 0.182 0.000 2.498 63 I HA 0.420 4.607 4.170 0.027 0.000 0.290 63 I C -0.505 175.494 176.117 -0.197 0.000 1.032 63 I CA -0.768 60.512 61.300 -0.033 0.000 1.073 63 I CB 1.866 39.838 38.000 -0.046 0.000 1.251 63 I HN 0.531 nan 8.210 nan 0.000 0.426 64 K N 7.918 128.025 120.400 -0.487 0.000 2.228 64 K HA 0.164 4.500 4.320 0.027 0.000 0.284 64 K C -0.339 176.081 176.600 -0.301 0.000 1.088 64 K CA -0.427 55.513 56.287 -0.577 0.000 0.941 64 K CB -0.100 31.919 32.500 -0.803 0.000 1.158 64 K HN 0.547 nan 8.250 nan 0.000 0.438 65 K N 2.629 122.911 120.400 -0.197 0.000 2.477 65 K HA -0.058 4.279 4.320 0.027 0.000 0.275 65 K C -0.051 176.466 176.600 -0.138 0.000 1.054 65 K CA 0.036 56.242 56.287 -0.134 0.000 1.135 65 K CB 0.340 32.782 32.500 -0.097 0.000 0.854 65 K HN 0.083 nan 8.250 nan 0.000 0.484 66 K N 2.570 122.899 120.400 -0.118 0.000 2.485 66 K HA -0.108 4.229 4.320 0.027 0.000 0.277 66 K C 0.215 176.762 176.600 -0.088 0.000 0.990 66 K CA 0.869 57.093 56.287 -0.105 0.000 0.994 66 K CB 0.514 32.962 32.500 -0.087 0.000 0.906 66 K HN 0.989 nan 8.250 nan 0.000 0.488 67 D N -0.745 119.606 120.400 -0.082 0.000 2.139 67 D HA -0.167 4.489 4.640 0.027 0.000 0.166 67 D C -0.796 175.463 176.300 -0.067 0.000 1.145 67 D CA 1.678 55.638 54.000 -0.066 0.000 1.097 67 D CB -0.692 40.073 40.800 -0.058 0.000 1.164 67 D HN 0.388 nan 8.370 nan 0.000 0.513 68 S N -1.052 114.598 115.700 -0.084 0.000 2.605 68 S HA 0.512 4.998 4.470 0.027 0.000 0.308 68 S C 0.677 175.208 174.600 -0.114 0.000 1.113 68 S CA 0.047 58.199 58.200 -0.080 0.000 1.049 68 S CB 1.439 64.597 63.200 -0.070 0.000 1.001 68 S HN 0.132 nan 8.310 nan 0.000 0.480 69 T N 3.407 117.903 114.554 -0.097 0.000 3.227 69 T HA 0.054 4.421 4.350 0.027 0.000 0.257 69 T C 0.643 175.261 174.700 -0.136 0.000 1.162 69 T CA 0.562 62.586 62.100 -0.126 0.000 1.051 69 T CB -0.295 68.533 68.868 -0.066 0.000 0.953 69 T HN 0.489 nan 8.240 nan 0.000 0.535 70 K N 0.470 120.812 120.400 -0.096 0.000 2.185 70 K HA 0.223 4.559 4.320 0.027 0.000 0.271 70 K C -0.895 175.655 176.600 -0.083 0.000 1.013 70 K CA -0.758 55.519 56.287 -0.016 0.000 0.943 70 K CB 0.602 33.112 32.500 0.017 0.000 0.998 70 K HN 0.135 nan 8.250 nan 0.000 0.468 71 W N 2.860 124.154 121.300 -0.010 0.000 2.202 71 W HA 0.282 4.958 4.660 0.027 0.000 0.332 71 W C 0.567 177.077 176.519 -0.015 0.000 1.263 71 W CA -0.040 57.300 57.345 -0.009 0.000 1.223 71 W CB 0.714 30.173 29.460 -0.001 0.000 1.128 71 W HN 0.482 nan 8.180 nan 0.000 0.573 72 R N 2.460 123.066 120.500 0.177 0.000 2.808 72 R HA 0.443 4.800 4.340 0.027 0.000 0.272 72 R C -0.469 175.915 176.300 0.139 0.000 0.995 72 R CA -0.856 55.303 56.100 0.100 0.000 0.917 72 R CB 1.614 31.918 30.300 0.006 0.000 1.217 72 R HN 0.608 nan 8.270 nan 0.000 0.471 73 K N 1.679 122.135 120.400 0.094 0.000 2.393 73 K HA 0.725 5.061 4.320 0.027 0.000 0.241 73 K C -1.392 175.254 176.600 0.077 0.000 1.055 73 K CA -0.852 55.490 56.287 0.092 0.000 0.951 73 K CB 1.238 33.766 32.500 0.047 0.000 1.285 73 K HN 0.285 nan 8.250 nan 0.000 0.500 74 L N -0.217 121.041 121.223 0.059 0.000 2.830 74 L HA 0.301 4.657 4.340 0.027 0.000 0.259 74 L C -2.152 174.676 176.870 -0.071 0.000 0.926 74 L CA -0.406 54.471 54.840 0.062 0.000 0.993 74 L CB 2.176 44.311 42.059 0.128 0.000 1.589 74 L HN 0.545 nan 8.230 nan 0.000 0.460 75 V N 2.725 122.564 119.914 -0.124 0.000 2.495 75 V HA 0.445 4.581 4.120 0.027 0.000 0.298 75 V C -0.760 175.048 176.094 -0.477 0.000 1.031 75 V CA -0.501 61.533 62.300 -0.445 0.000 0.871 75 V CB 1.760 33.246 31.823 -0.560 0.000 0.988 75 V HN 0.802 nan 8.190 nan 0.000 0.432 76 D N 3.117 123.187 120.400 -0.549 0.000 2.468 76 D HA 0.305 4.961 4.640 0.027 0.000 0.218 76 D C 0.273 176.409 176.300 -0.272 0.000 1.155 76 D CA -0.092 53.760 54.000 -0.248 0.000 0.924 76 D CB 0.218 40.987 40.800 -0.053 0.000 1.029 76 D HN 0.413 nan 8.370 nan 0.000 0.515 77 F N 1.936 121.944 119.950 0.097 0.000 2.773 77 F HA 0.225 4.768 4.527 0.027 0.000 0.304 77 F C 2.204 178.102 175.800 0.164 0.000 1.129 77 F CA -0.464 57.622 58.000 0.144 0.000 1.378 77 F CB 0.073 39.194 39.000 0.203 0.000 1.095 77 F HN 0.239 nan 8.300 nan 0.000 0.565 78 R N 0.554 121.206 120.500 0.253 0.000 2.191 78 R HA -0.298 4.058 4.340 0.027 0.000 0.248 78 R C 2.030 178.449 176.300 0.198 0.000 1.127 78 R CA 2.257 58.477 56.100 0.200 0.000 0.943 78 R CB -0.585 29.808 30.300 0.156 0.000 0.891 78 R HN 0.206 nan 8.270 nan 0.000 0.439 79 E N 0.741 121.053 120.200 0.188 0.000 2.058 79 E HA -0.185 4.181 4.350 0.027 0.000 0.194 79 E C 1.826 178.542 176.600 0.193 0.000 0.997 79 E CA 1.097 57.597 56.400 0.166 0.000 0.801 79 E CB -0.349 29.442 29.700 0.152 0.000 0.746 79 E HN 0.138 nan 8.360 nan 0.000 0.450 80 L N 1.197 122.584 121.223 0.274 0.000 1.989 80 L HA -0.202 4.154 4.340 0.027 0.000 0.211 80 L C 1.629 178.709 176.870 0.350 0.000 1.071 80 L CA 1.940 56.976 54.840 0.326 0.000 0.749 80 L CB -0.935 41.413 42.059 0.482 0.000 0.890 80 L HN 0.161 nan 8.230 nan 0.000 0.431 81 N N 0.062 118.976 118.700 0.357 0.000 2.192 81 N HA -0.233 4.524 4.740 0.027 0.000 0.188 81 N C 1.672 177.267 175.510 0.142 0.000 1.013 81 N CA 1.692 54.876 53.050 0.223 0.000 0.863 81 N CB -0.265 38.317 38.487 0.159 0.000 0.990 81 N HN 0.541 nan 8.380 nan 0.000 0.430 82 K N 0.893 121.375 120.400 0.137 0.000 2.031 82 K HA 0.018 4.354 4.320 0.027 0.000 0.205 82 K C 1.887 178.535 176.600 0.080 0.000 1.049 82 K CA 0.834 57.176 56.287 0.091 0.000 0.939 82 K CB -0.096 32.455 32.500 0.085 0.000 0.717 82 K HN 0.218 nan 8.250 nan 0.000 0.438 83 R N 0.989 121.545 120.500 0.094 0.000 2.316 83 R HA 0.033 4.390 4.340 0.027 0.000 0.202 83 R C 0.365 176.710 176.300 0.076 0.000 1.029 83 R CA 0.494 56.626 56.100 0.053 0.000 1.018 83 R CB -0.298 30.007 30.300 0.008 0.000 0.888 83 R HN 0.078 nan 8.270 nan 0.000 0.471 84 T N 2.163 116.811 114.554 0.157 0.000 2.909 84 T HA 0.084 4.450 4.350 0.027 0.000 0.289 84 T C 0.270 174.991 174.700 0.035 0.000 1.005 84 T CA -0.647 61.577 62.100 0.206 0.000 1.084 84 T CB 1.437 70.506 68.868 0.335 0.000 0.975 84 T HN 0.235 nan 8.240 nan 0.000 0.509 85 Q N 1.640 121.401 119.800 -0.065 0.000 2.524 85 Q HA 0.215 4.571 4.340 0.027 0.000 0.246 85 Q C -0.974 174.797 176.000 -0.382 0.000 1.063 85 Q CA -0.277 55.382 55.803 -0.240 0.000 0.945 85 Q CB 0.248 28.774 28.738 -0.353 0.000 1.292 85 Q HN 0.484 nan 8.270 nan 0.000 0.518 86 D N 0.117 120.326 120.400 -0.318 0.000 2.253 86 D HA 0.417 5.073 4.640 0.027 0.000 0.249 86 D C -1.090 174.987 176.300 -0.372 0.000 1.049 86 D CA -0.139 53.740 54.000 -0.202 0.000 0.929 86 D CB 0.649 41.418 40.800 -0.051 0.000 1.176 86 D HN 0.337 nan 8.370 nan 0.000 0.437 87 F N -0.309 119.624 119.950 -0.028 0.000 2.671 87 F HA 0.409 4.952 4.527 0.027 0.000 0.373 87 F C 0.106 176.002 175.800 0.160 0.000 1.122 87 F CA -1.146 56.866 58.000 0.020 0.000 1.082 87 F CB 0.510 39.474 39.000 -0.059 0.000 1.399 87 F HN 0.256 nan 8.300 nan 0.000 0.509 88 W N 2.281 123.660 121.300 0.131 0.000 2.093 88 W HA 0.191 4.867 4.660 0.027 0.000 0.352 88 W C 0.040 176.575 176.519 0.027 0.000 1.294 88 W CA -0.693 56.678 57.345 0.045 0.000 1.290 88 W CB 0.659 30.132 29.460 0.022 0.000 1.149 88 W HN 0.637 nan 8.180 nan 0.000 0.606 89 E N 1.647 121.419 120.200 -0.714 0.000 2.465 89 E HA -0.059 4.307 4.350 0.027 0.000 0.260 89 E C 0.254 176.623 176.600 -0.384 0.000 0.980 89 E CA -0.246 55.785 56.400 -0.614 0.000 0.927 89 E CB 1.577 30.749 29.700 -0.880 0.000 0.934 89 E HN 0.376 nan 8.360 nan 0.000 0.459 90 V N 2.793 122.571 119.914 -0.226 0.000 2.591 90 V HA -0.112 4.024 4.120 0.027 0.000 0.249 90 V C 0.550 176.555 176.094 -0.148 0.000 1.053 90 V CA 1.413 63.619 62.300 -0.157 0.000 1.068 90 V CB 0.027 31.769 31.823 -0.135 0.000 0.689 90 V HN 0.740 nan 8.190 nan 0.000 0.462 91 Q N 0.632 120.335 119.800 -0.161 0.000 2.506 91 Q HA 0.206 4.563 4.340 0.027 0.000 0.242 91 Q C 0.663 176.595 176.000 -0.113 0.000 1.060 91 Q CA -0.260 55.477 55.803 -0.110 0.000 0.826 91 Q CB 1.464 30.152 28.738 -0.083 0.000 1.169 91 Q HN 0.485 nan 8.270 nan 0.000 0.521 92 L N 2.382 123.549 121.223 -0.093 0.000 2.043 92 L HA -0.041 4.315 4.340 0.027 0.000 0.212 92 L C 0.648 177.490 176.870 -0.046 0.000 1.075 92 L CA 2.245 57.036 54.840 -0.082 0.000 0.752 92 L CB 0.044 42.084 42.059 -0.031 0.000 0.891 92 L HN 0.655 nan 8.230 nan 0.000 0.432 93 G N -2.002 106.799 108.800 0.001 0.000 2.361 93 G HA2 0.264 4.240 3.960 0.027 0.000 0.299 93 G HA3 0.264 4.240 3.960 0.027 0.000 0.299 93 G C -1.565 173.390 174.900 0.091 0.000 1.544 93 G CA -0.737 44.374 45.100 0.019 0.000 0.860 93 G HN -0.058 nan 8.290 nan 0.000 0.610 94 I N 1.562 122.187 120.570 0.092 0.000 2.441 94 I HA 0.283 4.469 4.170 0.027 0.000 0.287 94 I C -1.740 174.478 176.117 0.169 0.000 1.049 94 I CA -1.983 59.417 61.300 0.167 0.000 1.381 94 I CB 1.171 39.230 38.000 0.099 0.000 1.409 94 I HN 0.140 nan 8.210 nan 0.000 0.523 95 P HA 0.138 nan 4.420 nan 0.000 0.276 95 P C -0.735 176.651 177.300 0.142 0.000 1.253 95 P CA 0.011 63.206 63.100 0.159 0.000 0.766 95 P CB 0.231 31.997 31.700 0.110 0.000 0.845 96 H N 6.159 125.164 119.070 -0.107 0.000 2.517 96 H HA 0.197 4.769 4.556 0.027 0.000 0.317 96 H C -1.386 173.759 175.328 -0.305 0.000 1.080 96 H CA -2.216 53.715 56.048 -0.194 0.000 1.301 96 H CB 0.910 30.513 29.762 -0.266 0.000 1.425 96 H HN 0.252 nan 8.280 nan 0.000 0.471 97 P HA -0.295 nan 4.420 nan 0.000 0.218 97 P C 0.929 177.892 177.300 -0.562 0.000 1.154 97 P CA 2.121 64.777 63.100 -0.740 0.000 0.872 97 P CB -0.052 31.141 31.700 -0.845 0.000 0.790 98 A N -0.406 121.869 122.820 -0.908 0.000 2.225 98 A HA 0.010 4.347 4.320 0.027 0.000 0.215 98 A C 2.375 180.089 177.584 0.216 0.000 1.164 98 A CA 1.639 53.555 52.037 -0.202 0.000 0.710 98 A CB -1.501 17.471 19.000 -0.047 0.000 0.780 98 A HN 0.374 nan 8.150 nan 0.000 0.473 99 G N -0.928 107.828 108.800 -0.073 0.000 2.796 99 G HA2 0.329 4.305 3.960 0.027 0.000 0.210 99 G HA3 0.329 4.305 3.960 0.027 0.000 0.210 99 G C 0.577 175.561 174.900 0.141 0.000 1.146 99 G CA -0.312 44.792 45.100 0.007 0.000 0.779 99 G HN 0.398 nan 8.290 nan 0.000 0.535 100 L N 0.856 122.045 121.223 -0.057 0.000 2.439 100 L HA 0.301 4.657 4.340 0.027 0.000 0.269 100 L C 0.318 177.164 176.870 -0.041 0.000 1.179 100 L CA -0.032 54.673 54.840 -0.225 0.000 0.828 100 L CB 0.646 42.289 42.059 -0.693 0.000 1.106 100 L HN -0.010 nan 8.230 nan 0.000 0.467 101 K N 1.641 122.016 120.400 -0.043 0.000 2.095 101 K HA 0.326 4.662 4.320 0.027 0.000 0.252 101 K C -0.447 176.139 176.600 -0.022 0.000 0.977 101 K CA -0.927 55.404 56.287 0.072 0.000 0.900 101 K CB 1.554 34.106 32.500 0.087 0.000 1.060 101 K HN 0.386 nan 8.250 nan 0.000 0.449 102 K N 1.720 122.229 120.400 0.180 0.000 2.298 102 K HA 0.072 4.408 4.320 0.027 0.000 0.280 102 K C -0.766 175.905 176.600 0.117 0.000 1.032 102 K CA 0.179 56.627 56.287 0.269 0.000 0.958 102 K CB 0.409 33.078 32.500 0.281 0.000 0.978 102 K HN 0.525 nan 8.250 nan 0.000 0.472 103 N N 2.697 121.462 118.700 0.108 0.000 2.262 103 N HA 0.155 4.912 4.740 0.027 0.000 0.295 103 N C -0.063 175.476 175.510 0.047 0.000 1.161 103 N CA -0.886 52.197 53.050 0.056 0.000 0.767 103 N CB 1.885 40.388 38.487 0.026 0.000 1.499 103 N HN 0.429 nan 8.380 nan 0.000 0.476 104 K N 0.123 120.530 120.400 0.012 0.000 2.031 104 K HA -0.002 4.334 4.320 0.027 0.000 0.205 104 K C 0.408 176.975 176.600 -0.055 0.000 1.049 104 K CA 0.974 57.257 56.287 -0.008 0.000 0.939 104 K CB -0.000 32.493 32.500 -0.011 0.000 0.717 104 K HN 0.592 nan 8.250 nan 0.000 0.438 105 S N -0.144 115.464 115.700 -0.153 0.000 2.564 105 S HA 0.600 5.087 4.470 0.027 0.000 0.274 105 S C -0.657 173.736 174.600 -0.345 0.000 1.124 105 S CA -1.000 57.023 58.200 -0.294 0.000 0.869 105 S CB 2.139 65.030 63.200 -0.516 0.000 1.105 105 S HN 0.053 nan 8.310 nan 0.000 0.472 106 V N -1.454 118.383 119.914 -0.128 0.000 3.120 106 V HA 0.965 5.101 4.120 0.027 0.000 0.303 106 V C -1.125 175.145 176.094 0.293 0.000 1.238 106 V CA -0.551 61.820 62.300 0.119 0.000 1.008 106 V CB 1.464 33.404 31.823 0.194 0.000 1.064 106 V HN 1.289 nan 8.190 nan 0.000 0.434 107 T N 1.093 115.848 114.554 0.334 0.000 2.916 107 T HA 0.689 5.055 4.350 0.027 0.000 0.305 107 T C -0.818 173.930 174.700 0.081 0.000 1.119 107 T CA -0.459 61.813 62.100 0.287 0.000 1.008 107 T CB 1.594 70.616 68.868 0.258 0.000 1.129 107 T HN 1.701 nan 8.240 nan 0.000 0.480 108 V N 2.890 122.761 119.914 -0.071 0.000 2.435 108 V HA 0.719 4.856 4.120 0.027 0.000 0.290 108 V C -1.494 174.456 176.094 -0.240 0.000 1.030 108 V CA -0.957 61.110 62.300 -0.387 0.000 0.881 108 V CB 0.831 32.179 31.823 -0.792 0.000 0.983 108 V HN 0.764 nan 8.190 nan 0.000 0.445 109 L N 6.143 127.214 121.223 -0.254 0.000 2.301 109 L HA 0.467 4.824 4.340 0.027 0.000 0.278 109 L C -0.203 176.578 176.870 -0.149 0.000 1.022 109 L CA -0.136 54.617 54.840 -0.144 0.000 0.854 109 L CB 1.128 43.127 42.059 -0.099 0.000 1.226 109 L HN 0.831 nan 8.230 nan 0.000 0.429 110 D N 1.570 121.898 120.400 -0.120 0.000 2.371 110 D HA 0.172 4.828 4.640 0.027 0.000 0.256 110 D C 1.048 177.316 176.300 -0.054 0.000 1.193 110 D CA -0.158 53.785 54.000 -0.096 0.000 0.881 110 D CB 1.337 42.090 40.800 -0.079 0.000 1.143 110 D HN 0.297 nan 8.370 nan 0.000 0.473 111 V N 2.700 122.592 119.914 -0.036 0.000 2.492 111 V HA 0.283 4.420 4.120 0.027 0.000 0.241 111 V C 1.895 177.945 176.094 -0.073 0.000 1.041 111 V CA 1.423 63.721 62.300 -0.002 0.000 1.057 111 V CB -1.118 30.774 31.823 0.115 0.000 0.711 111 V HN 0.804 nan 8.190 nan 0.000 0.468 112 G N 1.407 110.113 108.800 -0.156 0.000 3.133 112 G HA2 -0.511 3.465 3.960 0.027 0.000 0.357 112 G HA3 -0.511 3.465 3.960 0.027 0.000 0.357 112 G C 0.861 175.597 174.900 -0.273 0.000 1.229 112 G CA 1.114 46.066 45.100 -0.246 0.000 1.018 112 G HN 0.561 nan 8.290 nan 0.000 0.635 113 D N 1.954 122.255 120.400 -0.166 0.000 2.357 113 D HA -0.022 4.635 4.640 0.027 0.000 0.216 113 D C 2.604 178.925 176.300 0.034 0.000 0.973 113 D CA 1.375 55.310 54.000 -0.108 0.000 0.912 113 D CB -0.490 40.249 40.800 -0.102 0.000 0.900 113 D HN 0.698 nan 8.370 nan 0.000 0.501 114 A N 0.654 123.482 122.820 0.014 0.000 2.093 114 A HA -0.267 4.070 4.320 0.027 0.000 0.222 114 A C 1.793 179.533 177.584 0.260 0.000 1.162 114 A CA 1.067 53.194 52.037 0.151 0.000 0.655 114 A CB -0.781 18.350 19.000 0.217 0.000 0.805 114 A HN 0.175 nan 8.150 nan 0.000 0.461 115 Y N -1.039 119.214 120.300 -0.078 0.000 2.053 115 Y HA -0.229 4.337 4.550 0.027 0.000 0.277 115 Y C 2.004 178.027 175.900 0.205 0.000 1.159 115 Y CA 1.488 59.608 58.100 0.034 0.000 1.125 115 Y CB -1.207 37.291 38.460 0.064 0.000 0.969 115 Y HN 0.379 nan 8.280 nan 0.000 0.492 116 F N -0.460 119.615 119.950 0.209 0.000 2.605 116 F HA -0.162 4.382 4.527 0.027 0.000 0.296 116 F C 2.299 178.193 175.800 0.156 0.000 1.146 116 F CA 1.126 59.234 58.000 0.180 0.000 1.478 116 F CB -0.671 38.424 39.000 0.159 0.000 1.107 116 F HN -0.062 nan 8.300 nan 0.000 0.600 117 S N -1.287 114.602 115.700 0.316 0.000 2.456 117 S HA 0.082 4.568 4.470 0.027 0.000 0.224 117 S C 0.772 175.494 174.600 0.204 0.000 1.035 117 S CA -0.000 58.345 58.200 0.242 0.000 0.940 117 S CB 0.105 63.449 63.200 0.241 0.000 0.799 117 S HN -0.093 nan 8.310 nan 0.000 0.508 118 V N 5.677 125.713 119.914 0.204 0.000 2.470 118 V HA 0.211 4.347 4.120 0.027 0.000 0.276 118 V C -2.181 173.967 176.094 0.090 0.000 1.040 118 V CA -2.013 60.376 62.300 0.149 0.000 1.008 118 V CB 0.385 32.297 31.823 0.149 0.000 0.990 118 V HN 0.221 nan 8.190 nan 0.000 0.477 119 P HA 0.097 nan 4.420 nan 0.000 0.268 119 P C -0.496 176.829 177.300 0.042 0.000 1.204 119 P CA -0.309 62.832 63.100 0.067 0.000 0.768 119 P CB 1.312 33.059 31.700 0.079 0.000 0.842 120 L N 3.083 124.321 121.223 0.025 0.000 2.456 120 L HA 0.321 4.678 4.340 0.027 0.000 0.257 120 L C 0.418 177.312 176.870 0.040 0.000 1.162 120 L CA -0.195 54.644 54.840 -0.003 0.000 0.808 120 L CB -0.115 41.913 42.059 -0.053 0.000 1.136 120 L HN 0.357 nan 8.230 nan 0.000 0.466 121 D N 1.247 121.679 120.400 0.054 0.000 2.412 121 D HA -0.057 4.599 4.640 0.027 0.000 0.257 121 D C 0.658 177.033 176.300 0.125 0.000 1.217 121 D CA 0.012 54.075 54.000 0.103 0.000 0.897 121 D CB 1.013 41.897 40.800 0.141 0.000 1.132 121 D HN 0.631 nan 8.370 nan 0.000 0.493 122 E N 2.922 123.176 120.200 0.090 0.000 2.164 122 E HA -0.242 4.124 4.350 0.027 0.000 0.206 122 E C 1.212 177.853 176.600 0.068 0.000 1.032 122 E CA 1.660 58.102 56.400 0.069 0.000 0.832 122 E CB 0.021 29.754 29.700 0.055 0.000 0.742 122 E HN 0.579 nan 8.360 nan 0.000 0.460 123 D N -1.142 119.317 120.400 0.098 0.000 2.249 123 D HA -0.031 4.625 4.640 0.027 0.000 0.205 123 D C 1.460 177.817 176.300 0.095 0.000 0.962 123 D CA 0.391 54.440 54.000 0.081 0.000 0.860 123 D CB -0.066 40.799 40.800 0.109 0.000 0.955 123 D HN 0.160 nan 8.370 nan 0.000 0.505 124 F N 2.119 122.099 119.950 0.049 0.000 2.456 124 F HA 0.030 4.574 4.527 0.027 0.000 0.298 124 F C 2.225 178.018 175.800 -0.012 0.000 1.104 124 F CA 0.461 58.535 58.000 0.123 0.000 1.435 124 F CB 0.161 39.225 39.000 0.108 0.000 1.078 124 F HN -0.256 nan 8.300 nan 0.000 0.546 125 R N 1.104 121.661 120.500 0.094 0.000 2.113 125 R HA -0.268 4.088 4.340 0.027 0.000 0.244 125 R C 2.280 178.523 176.300 -0.095 0.000 1.142 125 R CA 2.299 58.413 56.100 0.023 0.000 0.953 125 R CB -0.748 29.573 30.300 0.034 0.000 0.860 125 R HN 0.390 nan 8.270 nan 0.000 0.438 126 K N 0.011 120.277 120.400 -0.223 0.000 2.127 126 K HA -0.230 4.106 4.320 0.027 0.000 0.208 126 K C 1.479 177.925 176.600 -0.257 0.000 1.047 126 K CA 2.017 58.156 56.287 -0.247 0.000 0.927 126 K CB -0.567 31.736 32.500 -0.328 0.000 0.716 126 K HN 0.244 nan 8.250 nan 0.000 0.450 127 Y N 2.357 122.472 120.300 -0.309 0.000 2.571 127 Y HA -0.056 4.511 4.550 0.027 0.000 0.294 127 Y C 1.943 177.738 175.900 -0.176 0.000 1.141 127 Y CA 1.170 58.970 58.100 -0.501 0.000 1.308 127 Y CB -0.423 37.465 38.460 -0.954 0.000 1.002 127 Y HN 0.326 nan 8.280 nan 0.000 0.551 128 T N -2.026 112.563 114.554 0.059 0.000 3.287 128 T HA 0.599 4.966 4.350 0.027 0.000 0.253 128 T C 0.520 175.472 174.700 0.421 0.000 0.975 128 T CA -0.222 62.043 62.100 0.275 0.000 0.912 128 T CB -0.759 68.234 68.868 0.208 0.000 1.071 128 T HN 0.187 nan 8.240 nan 0.000 0.578 129 A N 1.841 124.836 122.820 0.291 0.000 2.388 129 A HA 0.687 5.023 4.320 0.027 0.000 0.257 129 A C -0.235 177.544 177.584 0.324 0.000 1.095 129 A CA -0.797 51.370 52.037 0.217 0.000 0.791 129 A CB -0.068 19.012 19.000 0.133 0.000 1.029 129 A HN 0.847 nan 8.150 nan 0.000 0.489 130 F N -0.900 119.132 119.950 0.137 0.000 2.631 130 F HA 0.776 5.319 4.527 0.027 0.000 0.308 130 F C -0.483 175.379 175.800 0.103 0.000 1.097 130 F CA -0.698 57.359 58.000 0.095 0.000 0.952 130 F CB 1.285 40.327 39.000 0.071 0.000 1.307 130 F HN 0.391 nan 8.300 nan 0.000 0.450 131 T N 3.624 118.317 114.554 0.232 0.000 2.887 131 T HA 0.623 4.990 4.350 0.027 0.000 0.288 131 T C -0.717 174.112 174.700 0.214 0.000 1.021 131 T CA -0.600 61.583 62.100 0.137 0.000 1.000 131 T CB 1.792 70.704 68.868 0.073 0.000 1.034 131 T HN 0.485 nan 8.240 nan 0.000 0.467 132 I N 4.136 124.813 120.570 0.178 0.000 2.392 132 I HA 0.386 4.573 4.170 0.027 0.000 0.295 132 I C -2.090 174.091 176.117 0.106 0.000 0.985 132 I CA -3.026 58.374 61.300 0.167 0.000 1.221 132 I CB 1.104 39.215 38.000 0.185 0.000 1.366 132 I HN 0.367 nan 8.210 nan 0.000 0.467 133 P HA 0.179 nan 4.420 nan 0.000 0.288 133 P C -0.477 176.853 177.300 0.050 0.000 1.267 133 P CA -0.432 62.714 63.100 0.075 0.000 0.815 133 P CB 1.558 33.315 31.700 0.095 0.000 0.989 134 S N 2.453 118.174 115.700 0.036 0.000 2.523 134 S HA 0.183 4.669 4.470 0.027 0.000 0.275 134 S C 1.861 176.472 174.600 0.019 0.000 1.281 134 S CA -0.690 57.523 58.200 0.021 0.000 1.050 134 S CB -0.483 62.725 63.200 0.013 0.000 0.937 134 S HN 0.320 nan 8.310 nan 0.000 0.492 135 I N 4.283 124.859 120.570 0.010 0.000 2.161 135 I HA -0.358 3.828 4.170 0.027 0.000 0.246 135 I C 1.080 177.204 176.117 0.013 0.000 1.048 135 I CA 1.960 63.264 61.300 0.006 0.000 1.314 135 I CB -0.530 37.467 38.000 -0.004 0.000 1.014 135 I HN 0.673 nan 8.210 nan 0.000 0.418 136 N N -0.006 118.700 118.700 0.011 0.000 2.200 136 N HA 0.114 4.870 4.740 0.027 0.000 0.224 136 N C -0.173 175.344 175.510 0.012 0.000 1.179 136 N CA -0.022 53.035 53.050 0.011 0.000 0.877 136 N CB 0.262 38.753 38.487 0.007 0.000 1.072 136 N HN 0.325 nan 8.380 nan 0.000 0.519 137 N N 0.839 119.548 118.700 0.014 0.000 2.726 137 N HA -0.260 4.496 4.740 0.027 0.000 0.253 137 N C 0.548 176.062 175.510 0.006 0.000 1.059 137 N CA 0.147 53.205 53.050 0.012 0.000 0.701 137 N CB -0.320 38.175 38.487 0.013 0.000 0.899 137 N HN 0.520 nan 8.380 nan 0.000 0.548 138 E N -0.410 119.792 120.200 0.004 0.000 1.996 138 E HA -0.157 4.209 4.350 0.027 0.000 0.197 138 E C 0.754 177.351 176.600 -0.003 0.000 1.002 138 E CA 2.313 58.713 56.400 -0.000 0.000 0.840 138 E CB 0.172 29.871 29.700 -0.002 0.000 0.786 138 E HN 0.583 nan 8.360 nan 0.000 0.469 139 T N -0.567 113.983 114.554 -0.006 0.000 3.601 139 T HA 0.161 4.527 4.350 0.027 0.000 0.242 139 T C -1.917 172.775 174.700 -0.014 0.000 0.958 139 T CA 0.014 62.108 62.100 -0.010 0.000 1.120 139 T CB -0.558 68.302 68.868 -0.013 0.000 1.154 139 T HN 0.328 nan 8.240 nan 0.000 0.375 140 P HA 0.615 nan 4.420 nan 0.000 0.302 140 P C -0.816 176.473 177.300 -0.019 0.000 1.307 140 P CA -0.206 62.879 63.100 -0.025 0.000 0.754 140 P CB 0.484 32.163 31.700 -0.034 0.000 1.298 141 G N 0.066 108.847 108.800 -0.031 0.000 2.760 141 G HA2 0.457 4.433 3.960 0.027 0.000 0.285 141 G HA3 0.457 4.433 3.960 0.027 0.000 0.285 141 G C -0.886 173.982 174.900 -0.054 0.000 1.496 141 G CA -0.405 44.681 45.100 -0.023 0.000 1.026 141 G HN 0.251 nan 8.290 nan 0.000 0.536 142 I N 2.724 123.273 120.570 -0.036 0.000 2.453 142 I HA 0.141 4.327 4.170 0.027 0.000 0.300 142 I C 1.166 177.199 176.117 -0.139 0.000 1.159 142 I CA -0.006 61.239 61.300 -0.092 0.000 1.379 142 I CB -0.403 37.599 38.000 0.003 0.000 1.460 142 I HN 0.281 nan 8.210 nan 0.000 0.601 143 R N 5.003 125.342 120.500 -0.268 0.000 2.459 143 R HA 0.600 4.956 4.340 0.027 0.000 0.281 143 R C -1.044 174.894 176.300 -0.604 0.000 1.050 143 R CA -0.355 55.550 56.100 -0.326 0.000 1.055 143 R CB 0.988 31.144 30.300 -0.240 0.000 1.045 143 R HN 0.319 nan 8.270 nan 0.000 0.495 144 Y N -0.626 119.242 120.300 -0.719 0.000 2.689 144 Y HA 0.254 4.821 4.550 0.027 0.000 0.333 144 Y C -0.596 174.811 175.900 -0.822 0.000 1.190 144 Y CA -1.002 56.638 58.100 -0.767 0.000 1.063 144 Y CB 2.084 39.992 38.460 -0.921 0.000 1.294 144 Y HN 0.508 nan 8.280 nan 0.000 0.466 145 Q N -0.572 119.119 119.800 -0.182 0.000 2.418 145 Q HA 0.493 4.849 4.340 0.027 0.000 0.282 145 Q C -2.164 173.950 176.000 0.189 0.000 1.044 145 Q CA -1.124 54.715 55.803 0.060 0.000 0.813 145 Q CB 2.063 30.819 28.738 0.029 0.000 1.428 145 Q HN 0.604 nan 8.270 nan 0.000 0.402 146 Y N 1.632 122.085 120.300 0.256 0.000 2.442 146 Y HA 0.059 4.626 4.550 0.027 0.000 0.330 146 Y C 0.926 176.848 175.900 0.035 0.000 1.129 146 Y CA 0.838 59.017 58.100 0.132 0.000 1.365 146 Y CB 0.984 39.452 38.460 0.013 0.000 1.233 146 Y HN 0.910 nan 8.280 nan 0.000 0.529 147 N N 1.421 120.205 118.700 0.140 0.000 2.205 147 N HA 0.153 4.909 4.740 0.027 0.000 0.201 147 N C -1.160 174.402 175.510 0.086 0.000 1.128 147 N CA 0.181 53.285 53.050 0.090 0.000 0.867 147 N CB 0.571 39.094 38.487 0.061 0.000 0.996 147 N HN 0.386 nan 8.380 nan 0.000 0.503 148 V N -0.151 119.831 119.914 0.114 0.000 3.181 148 V HA 0.399 4.536 4.120 0.027 0.000 0.307 148 V C -0.869 175.188 176.094 -0.062 0.000 1.310 148 V CA -1.143 61.184 62.300 0.045 0.000 1.067 148 V CB 1.853 33.711 31.823 0.058 0.000 1.081 148 V HN -0.050 nan 8.190 nan 0.000 0.453 149 L N 4.990 126.143 121.223 -0.117 0.000 2.513 149 L HA 0.257 4.613 4.340 0.027 0.000 0.272 149 L C -2.168 174.436 176.870 -0.444 0.000 1.187 149 L CA -0.927 53.777 54.840 -0.226 0.000 0.895 149 L CB 0.647 42.595 42.059 -0.185 0.000 1.147 149 L HN 0.475 nan 8.230 nan 0.000 0.483 150 P HA 0.108 nan 4.420 nan 0.000 0.296 150 P C -1.046 176.098 177.300 -0.260 0.000 1.306 150 P CA -0.795 61.741 63.100 -0.939 0.000 0.818 150 P CB 1.521 32.318 31.700 -1.504 0.000 0.969 151 Q N 2.699 122.527 119.800 0.047 0.000 2.263 151 Q HA 0.292 4.648 4.340 0.027 0.000 0.289 151 Q C 1.377 177.536 176.000 0.265 0.000 1.061 151 Q CA 1.993 57.994 55.803 0.331 0.000 0.927 151 Q CB -0.699 28.306 28.738 0.444 0.000 1.154 151 Q HN 0.869 nan 8.270 nan 0.000 0.378 152 G N 2.879 111.825 108.800 0.244 0.000 2.225 152 G HA2 -0.309 3.667 3.960 0.027 0.000 0.254 152 G HA3 -0.309 3.667 3.960 0.027 0.000 0.254 152 G C -0.337 174.697 174.900 0.224 0.000 0.988 152 G CA 0.013 45.250 45.100 0.229 0.000 0.625 152 G HN 0.724 nan 8.290 nan 0.000 0.527 153 W N 2.172 123.410 121.300 -0.103 0.000 2.170 153 W HA 0.573 5.249 4.660 0.028 0.000 0.336 153 W C 1.461 177.890 176.519 -0.151 0.000 1.283 153 W CA 0.020 57.223 57.345 -0.236 0.000 1.224 153 W CB 0.703 29.834 29.460 -0.548 0.000 1.132 153 W HN 0.141 nan 8.180 nan 0.000 0.571 154 K N 2.743 122.623 120.400 -0.866 0.000 2.001 154 K HA -0.195 4.141 4.320 0.027 0.000 0.214 154 K C 2.033 177.937 176.600 -1.159 0.000 1.050 154 K CA 2.357 58.151 56.287 -0.823 0.000 0.934 154 K CB -0.824 31.311 32.500 -0.609 0.000 0.718 154 K HN 0.780 nan 8.250 nan 0.000 0.443 155 G N 0.116 107.574 108.800 -2.237 0.000 2.440 155 G HA2 -0.261 3.716 3.960 0.027 0.000 0.218 155 G HA3 -0.261 3.716 3.960 0.027 0.000 0.218 155 G C 1.455 175.707 174.900 -1.079 0.000 1.154 155 G CA 1.076 44.941 45.100 -2.058 0.000 0.767 155 G HN 0.369 nan 8.290 nan 0.000 0.552 156 S N 1.951 117.286 115.700 -0.609 0.000 2.426 156 S HA -0.203 4.283 4.470 0.027 0.000 0.259 156 S C 0.341 174.555 174.600 -0.643 0.000 1.096 156 S CA 2.209 60.082 58.200 -0.545 0.000 1.219 156 S CB -1.190 61.727 63.200 -0.473 0.000 1.124 156 S HN 0.374 nan 8.310 nan 0.000 0.436 157 P HA -0.090 nan 4.420 nan 0.000 0.211 157 P C 1.631 178.832 177.300 -0.165 0.000 1.179 157 P CA 1.711 64.760 63.100 -0.085 0.000 0.910 157 P CB -0.275 31.394 31.700 -0.051 0.000 0.785 158 A N -0.322 122.290 122.820 -0.348 0.000 1.859 158 A HA -0.258 4.078 4.320 0.027 0.000 0.218 158 A C 2.294 179.705 177.584 -0.289 0.000 1.209 158 A CA 2.356 54.180 52.037 -0.355 0.000 0.639 158 A CB -1.885 16.723 19.000 -0.653 0.000 0.835 158 A HN 0.124 nan 8.150 nan 0.000 0.450 159 I N -1.999 118.333 120.570 -0.396 0.000 2.361 159 I HA -0.225 3.961 4.170 0.027 0.000 0.251 159 I C 2.376 178.396 176.117 -0.161 0.000 1.133 159 I CA 1.593 62.748 61.300 -0.242 0.000 1.413 159 I CB -0.353 37.510 38.000 -0.228 0.000 1.073 159 I HN 0.510 nan 8.210 nan 0.000 0.424 160 F N 1.810 121.590 119.950 -0.284 0.000 2.075 160 F HA -0.279 4.264 4.527 0.027 0.000 0.297 160 F C 2.749 178.490 175.800 -0.098 0.000 1.113 160 F CA 1.601 59.490 58.000 -0.186 0.000 1.218 160 F CB -0.187 38.704 39.000 -0.181 0.000 0.984 160 F HN 0.002 nan 8.300 nan 0.000 0.472 161 Q N 0.701 120.382 119.800 -0.199 0.000 2.062 161 Q HA -0.215 4.141 4.340 0.027 0.000 0.209 161 Q C 2.398 178.225 176.000 -0.289 0.000 0.996 161 Q CA 2.075 57.734 55.803 -0.240 0.000 0.859 161 Q CB -1.123 27.565 28.738 -0.084 0.000 0.920 161 Q HN 0.461 nan 8.270 nan 0.000 0.415 162 S N 1.167 116.744 115.700 -0.206 0.000 2.392 162 S HA -0.183 4.303 4.470 0.027 0.000 0.225 162 S C 2.192 176.651 174.600 -0.235 0.000 1.041 162 S CA 1.611 59.712 58.200 -0.165 0.000 1.100 162 S CB -0.593 62.542 63.200 -0.109 0.000 1.029 162 S HN 0.359 nan 8.310 nan 0.000 0.424 163 S N 1.406 116.947 115.700 -0.265 0.000 2.381 163 S HA -0.241 4.245 4.470 0.027 0.000 0.230 163 S C 1.918 176.282 174.600 -0.394 0.000 1.052 163 S CA 1.946 59.973 58.200 -0.288 0.000 1.068 163 S CB -0.511 62.542 63.200 -0.245 0.000 0.918 163 S HN 0.377 nan 8.310 nan 0.000 0.448 164 M N 1.773 121.029 119.600 -0.573 0.000 2.108 164 M HA -0.090 4.406 4.480 0.027 0.000 0.261 164 M C 2.019 178.106 176.300 -0.355 0.000 1.066 164 M CA 1.731 56.696 55.300 -0.558 0.000 1.107 164 M CB -1.505 30.625 32.600 -0.782 0.000 1.356 164 M HN 0.225 nan 8.290 nan 0.000 0.406 165 T N 0.434 114.816 114.554 -0.288 0.000 2.788 165 T HA -0.152 4.214 4.350 0.027 0.000 0.268 165 T C 1.882 176.467 174.700 -0.192 0.000 1.044 165 T CA 1.630 63.614 62.100 -0.193 0.000 1.139 165 T CB -0.111 68.674 68.868 -0.139 0.000 0.867 165 T HN 0.431 nan 8.240 nan 0.000 0.454 166 K N 0.561 120.824 120.400 -0.229 0.000 1.991 166 K HA 0.129 4.465 4.320 0.027 0.000 0.207 166 K C 2.170 178.572 176.600 -0.331 0.000 1.045 166 K CA 0.989 57.134 56.287 -0.236 0.000 0.937 166 K CB -0.308 32.050 32.500 -0.236 0.000 0.720 166 K HN 0.262 nan 8.250 nan 0.000 0.438 167 I N 1.511 121.787 120.570 -0.491 0.000 2.730 167 I HA -0.284 3.902 4.170 0.027 0.000 0.266 167 I C 1.766 177.595 176.117 -0.480 0.000 1.228 167 I CA 1.140 62.011 61.300 -0.715 0.000 1.445 167 I CB -0.184 37.371 38.000 -0.743 0.000 1.102 167 I HN 0.209 nan 8.210 nan 0.000 0.464 168 L N -0.556 120.489 121.223 -0.296 0.000 2.515 168 L HA 0.018 4.374 4.340 0.027 0.000 0.223 168 L C 2.375 179.250 176.870 0.009 0.000 1.079 168 L CA 0.188 54.936 54.840 -0.153 0.000 0.857 168 L CB -0.236 41.728 42.059 -0.159 0.000 1.050 168 L HN 0.177 nan 8.230 nan 0.000 0.476 169 E N 1.421 121.600 120.200 -0.036 0.000 2.086 169 E HA -0.234 4.133 4.350 0.027 0.000 0.200 169 E C -0.654 175.987 176.600 0.069 0.000 1.012 169 E CA 1.881 58.283 56.400 0.005 0.000 0.812 169 E CB -0.608 29.073 29.700 -0.030 0.000 0.743 169 E HN 0.302 nan 8.360 nan 0.000 0.453 170 P HA -0.203 nan 4.420 nan 0.000 0.211 170 P C 1.554 178.956 177.300 0.169 0.000 1.179 170 P CA 1.331 64.509 63.100 0.131 0.000 0.910 170 P CB -0.490 31.312 31.700 0.170 0.000 0.785 171 F N 0.965 121.024 119.950 0.182 0.000 2.154 171 F HA -0.180 4.363 4.527 0.027 0.000 0.301 171 F C 2.641 178.490 175.800 0.081 0.000 1.087 171 F CA 1.529 59.631 58.000 0.169 0.000 1.274 171 F CB -0.311 38.896 39.000 0.345 0.000 1.009 171 F HN -0.249 nan 8.300 nan 0.000 0.485 172 R N 0.069 120.742 120.500 0.289 0.000 2.096 172 R HA -0.148 4.209 4.340 0.027 0.000 0.235 172 R C 2.135 178.479 176.300 0.074 0.000 1.127 172 R CA 1.595 57.797 56.100 0.170 0.000 0.968 172 R CB -0.209 30.148 30.300 0.095 0.000 0.861 172 R HN 0.295 nan 8.270 nan 0.000 0.440 173 K N 0.284 120.709 120.400 0.041 0.000 2.062 173 K HA -0.116 4.220 4.320 0.027 0.000 0.205 173 K C 2.177 178.756 176.600 -0.035 0.000 1.051 173 K CA 1.144 57.433 56.287 0.004 0.000 0.941 173 K CB 0.027 32.528 32.500 0.003 0.000 0.719 173 K HN 0.207 nan 8.250 nan 0.000 0.440 174 Q N 0.739 120.486 119.800 -0.088 0.000 2.050 174 Q HA -0.072 4.285 4.340 0.027 0.000 0.202 174 Q C 0.258 176.161 176.000 -0.162 0.000 0.980 174 Q CA 1.028 56.735 55.803 -0.159 0.000 0.840 174 Q CB 0.045 28.611 28.738 -0.288 0.000 0.898 174 Q HN 0.330 nan 8.270 nan 0.000 0.424 175 N N 0.662 119.254 118.700 -0.179 0.000 3.114 175 N HA 0.145 4.901 4.740 0.027 0.000 0.289 175 N C -2.388 173.127 175.510 0.008 0.000 1.519 175 N CA -0.973 52.020 53.050 -0.095 0.000 1.026 175 N CB 1.167 39.582 38.487 -0.121 0.000 1.306 175 N HN 0.072 nan 8.380 nan 0.000 0.495 176 P HA -0.171 nan 4.420 nan 0.000 0.216 176 P C 1.083 178.409 177.300 0.044 0.000 1.150 176 P CA 1.263 64.379 63.100 0.027 0.000 0.837 176 P CB 0.139 31.847 31.700 0.012 0.000 0.786 177 D N -0.983 119.441 120.400 0.041 0.000 2.389 177 D HA -0.122 4.534 4.640 0.027 0.000 0.221 177 D C 0.667 177.018 176.300 0.084 0.000 0.974 177 D CA 0.670 54.702 54.000 0.054 0.000 0.923 177 D CB -0.759 40.069 40.800 0.047 0.000 0.892 177 D HN 0.221 nan 8.370 nan 0.000 0.518 178 I N 0.447 121.079 120.570 0.103 0.000 2.498 178 I HA 0.205 4.391 4.170 0.027 0.000 0.301 178 I C -0.205 175.994 176.117 0.137 0.000 0.984 178 I CA -1.030 60.358 61.300 0.146 0.000 1.204 178 I CB 2.273 40.395 38.000 0.202 0.000 1.362 178 I HN -0.278 nan 8.210 nan 0.000 0.471 179 V N 6.960 126.963 119.914 0.149 0.000 2.581 179 V HA 0.525 4.661 4.120 0.027 0.000 0.303 179 V C -0.228 175.963 176.094 0.161 0.000 1.041 179 V CA -0.515 61.872 62.300 0.145 0.000 0.907 179 V CB 2.011 33.939 31.823 0.175 0.000 0.994 179 V HN 0.446 nan 8.190 nan 0.000 0.442 180 I N 4.009 124.655 120.570 0.128 0.000 2.563 180 I HA 0.368 4.555 4.170 0.027 0.000 0.285 180 I C -1.527 174.652 176.117 0.102 0.000 1.123 180 I CA -0.362 61.013 61.300 0.125 0.000 1.059 180 I CB 1.818 39.849 38.000 0.052 0.000 1.229 180 I HN 0.488 nan 8.210 nan 0.000 0.442 181 Y N 4.898 125.228 120.300 0.050 0.000 2.330 181 Y HA 0.374 4.940 4.550 0.027 0.000 0.336 181 Y C 0.309 176.289 175.900 0.135 0.000 1.036 181 Y CA -0.402 57.726 58.100 0.048 0.000 1.125 181 Y CB 1.478 39.902 38.460 -0.059 0.000 1.194 181 Y HN 0.430 nan 8.280 nan 0.000 0.469 182 Q N 3.624 123.547 119.800 0.205 0.000 2.243 182 Q HA 0.317 4.673 4.340 0.027 0.000 0.252 182 Q C -1.618 174.595 176.000 0.356 0.000 0.909 182 Q CA -0.690 55.234 55.803 0.202 0.000 0.922 182 Q CB 2.118 30.895 28.738 0.065 0.000 1.215 182 Q HN 0.701 nan 8.270 nan 0.000 0.427 183 Y N 2.975 123.414 120.300 0.233 0.000 2.262 183 Y HA 0.126 4.693 4.550 0.027 0.000 0.317 183 Y C -0.164 175.883 175.900 0.245 0.000 1.230 183 Y CA -0.319 57.945 58.100 0.273 0.000 1.166 183 Y CB 0.625 39.333 38.460 0.412 0.000 1.254 183 Y HN 0.877 nan 8.280 nan 0.000 0.405 184 M N 1.678 121.159 119.600 -0.199 0.000 7.319 184 M HA -0.386 4.110 4.480 0.027 0.000 0.170 184 M C 0.015 176.393 176.300 0.131 0.000 0.480 184 M CA 2.258 57.513 55.300 -0.074 0.000 1.311 184 M CB -0.639 31.863 32.600 -0.162 0.000 0.421 184 M HN 0.722 nan 8.290 nan 0.000 0.514 185 D N 1.152 121.577 120.400 0.042 0.000 2.352 185 D HA 0.165 4.821 4.640 0.027 0.000 0.236 185 D C -0.559 175.764 176.300 0.039 0.000 1.148 185 D CA 0.529 54.529 54.000 -0.000 0.000 0.844 185 D CB -0.232 40.441 40.800 -0.210 0.000 0.933 185 D HN 0.277 nan 8.370 nan 0.000 0.507 186 D N 0.631 121.095 120.400 0.106 0.000 2.342 186 D HA 0.349 5.005 4.640 0.027 0.000 0.243 186 D C -0.634 175.640 176.300 -0.042 0.000 1.019 186 D CA -0.558 53.422 54.000 -0.034 0.000 0.864 186 D CB 2.426 43.211 40.800 -0.026 0.000 1.315 186 D HN -0.140 nan 8.370 nan 0.000 0.468 187 L N 2.951 124.023 121.223 -0.251 0.000 2.377 187 L HA 0.313 4.669 4.340 0.027 0.000 0.270 187 L C -1.551 175.142 176.870 -0.294 0.000 0.991 187 L CA -0.650 54.105 54.840 -0.142 0.000 0.851 187 L CB 0.620 42.623 42.059 -0.095 0.000 1.218 187 L HN 0.272 nan 8.230 nan 0.000 0.420 188 Y N 4.106 124.391 120.300 -0.024 0.000 2.404 188 Y HA 0.502 5.069 4.550 0.028 0.000 0.344 188 Y C 0.137 176.038 175.900 0.001 0.000 0.970 188 Y CA -0.535 57.515 58.100 -0.084 0.000 1.180 188 Y CB 1.260 39.608 38.460 -0.188 0.000 1.138 188 Y HN 0.217 nan 8.280 nan 0.000 0.510 189 V N 3.961 123.946 119.914 0.119 0.000 2.326 189 V HA 0.681 4.817 4.120 0.027 0.000 0.281 189 V C 0.352 176.582 176.094 0.227 0.000 1.015 189 V CA -0.686 61.704 62.300 0.150 0.000 0.823 189 V CB 1.092 32.968 31.823 0.089 0.000 1.009 189 V HN 0.899 nan 8.190 nan 0.000 0.436 190 G N 2.950 111.872 108.800 0.203 0.000 2.473 190 G HA2 0.846 4.822 3.960 0.027 0.000 0.321 190 G HA3 0.846 4.822 3.960 0.027 0.000 0.321 190 G C -0.556 174.458 174.900 0.190 0.000 1.200 190 G CA -0.120 45.086 45.100 0.178 0.000 0.963 190 G HN 0.969 nan 8.290 nan 0.000 0.483 191 S N -1.031 114.747 115.700 0.131 0.000 2.636 191 S HA 0.445 4.931 4.470 0.027 0.000 0.268 191 S C -1.192 173.449 174.600 0.067 0.000 1.159 191 S CA -0.656 57.630 58.200 0.143 0.000 0.815 191 S CB 1.975 65.343 63.200 0.279 0.000 1.130 191 S HN 0.258 nan 8.310 nan 0.000 0.471 192 D N 0.666 121.113 120.400 0.078 0.000 2.424 192 D HA 0.403 5.059 4.640 0.027 0.000 0.220 192 D C 0.149 176.484 176.300 0.057 0.000 1.150 192 D CA -0.038 53.993 54.000 0.052 0.000 0.831 192 D CB -0.057 40.771 40.800 0.046 0.000 0.981 192 D HN 0.467 nan 8.370 nan 0.000 0.500 193 L N 0.567 121.844 121.223 0.091 0.000 2.456 193 L HA 0.213 4.569 4.340 0.027 0.000 0.257 193 L C 1.095 178.013 176.870 0.080 0.000 1.162 193 L CA -0.596 54.304 54.840 0.100 0.000 0.808 193 L CB 0.589 42.741 42.059 0.155 0.000 1.136 193 L HN 0.006 nan 8.230 nan 0.000 0.466 194 E N 2.020 122.264 120.200 0.074 0.000 2.360 194 E HA -0.027 4.339 4.350 0.027 0.000 0.269 194 E C 1.150 177.803 176.600 0.089 0.000 1.022 194 E CA -0.261 56.174 56.400 0.060 0.000 0.887 194 E CB 1.212 30.941 29.700 0.049 0.000 0.990 194 E HN 0.674 nan 8.360 nan 0.000 0.426 195 I N 3.384 123.996 120.570 0.069 0.000 2.161 195 I HA -0.310 3.876 4.170 0.027 0.000 0.246 195 I C 1.608 177.807 176.117 0.136 0.000 1.048 195 I CA 2.554 63.910 61.300 0.094 0.000 1.314 195 I CB -0.609 37.425 38.000 0.057 0.000 1.014 195 I HN 0.580 nan 8.210 nan 0.000 0.418 196 G N -0.209 108.647 108.800 0.094 0.000 2.414 196 G HA2 -0.250 3.726 3.960 0.027 0.000 0.215 196 G HA3 -0.250 3.726 3.960 0.027 0.000 0.215 196 G C 1.534 176.490 174.900 0.093 0.000 1.188 196 G CA 0.676 45.825 45.100 0.083 0.000 0.783 196 G HN 0.463 nan 8.290 nan 0.000 0.537 197 Q N 0.061 119.916 119.800 0.092 0.000 2.152 197 Q HA -0.190 4.166 4.340 0.027 0.000 0.206 197 Q C 2.156 178.222 176.000 0.110 0.000 0.985 197 Q CA 2.046 57.901 55.803 0.087 0.000 0.863 197 Q CB -0.477 28.310 28.738 0.082 0.000 0.904 197 Q HN 0.765 nan 8.270 nan 0.000 0.422 198 H N 0.240 119.345 119.070 0.057 0.000 2.270 198 H HA -0.031 4.542 4.556 0.027 0.000 0.299 198 H C 2.077 177.448 175.328 0.072 0.000 1.077 198 H CA 2.198 58.287 56.048 0.069 0.000 1.294 198 H CB -0.107 29.695 29.762 0.067 0.000 1.371 198 H HN 0.058 nan 8.280 nan 0.000 0.491 199 R N -0.092 120.453 120.500 0.075 0.000 2.154 199 R HA -0.163 4.193 4.340 0.027 0.000 0.248 199 R C 1.696 177.982 176.300 -0.024 0.000 1.155 199 R CA 1.976 58.085 56.100 0.015 0.000 0.979 199 R CB -0.504 29.840 30.300 0.075 0.000 0.869 199 R HN 0.467 nan 8.270 nan 0.000 0.452 200 T N 1.267 115.822 114.554 0.003 0.000 2.614 200 T HA -0.093 4.274 4.350 0.027 0.000 0.263 200 T C 1.756 176.464 174.700 0.014 0.000 1.055 200 T CA 1.054 63.164 62.100 0.017 0.000 1.162 200 T CB -0.142 68.745 68.868 0.033 0.000 0.863 200 T HN 0.169 nan 8.240 nan 0.000 0.414 201 K N 0.903 121.308 120.400 0.008 0.000 2.089 201 K HA -0.097 4.239 4.320 0.027 0.000 0.210 201 K C 2.235 178.862 176.600 0.044 0.000 1.048 201 K CA 1.017 57.344 56.287 0.066 0.000 0.926 201 K CB -0.761 31.776 32.500 0.060 0.000 0.714 201 K HN 0.311 nan 8.250 nan 0.000 0.448 202 I N 1.056 121.555 120.570 -0.119 0.000 2.118 202 I HA -0.273 3.914 4.170 0.027 0.000 0.241 202 I C 2.300 178.394 176.117 -0.038 0.000 1.070 202 I CA 1.482 62.708 61.300 -0.123 0.000 1.327 202 I CB -1.039 36.867 38.000 -0.155 0.000 1.034 202 I HN 0.184 nan 8.210 nan 0.000 0.405 203 E N 0.835 121.031 120.200 -0.006 0.000 2.085 203 E HA -0.249 4.117 4.350 0.027 0.000 0.194 203 E C 2.091 178.731 176.600 0.067 0.000 0.994 203 E CA 1.518 57.933 56.400 0.024 0.000 0.801 203 E CB -0.188 29.529 29.700 0.028 0.000 0.743 203 E HN 0.464 nan 8.360 nan 0.000 0.453 204 E N -0.179 120.090 120.200 0.115 0.000 2.033 204 E HA -0.209 4.158 4.350 0.027 0.000 0.199 204 E C 2.075 178.850 176.600 0.291 0.000 1.011 204 E CA 1.362 57.895 56.400 0.222 0.000 0.815 204 E CB -0.331 29.538 29.700 0.281 0.000 0.755 204 E HN 0.300 nan 8.360 nan 0.000 0.451 205 L N 1.268 122.579 121.223 0.146 0.000 2.046 205 L HA -0.198 4.159 4.340 0.027 0.000 0.208 205 L C 2.560 179.336 176.870 -0.158 0.000 1.077 205 L CA 1.943 56.527 54.840 -0.428 0.000 0.747 205 L CB -0.748 40.810 42.059 -0.836 0.000 0.896 205 L HN 0.226 nan 8.230 nan 0.000 0.432 206 R N -0.451 120.009 120.500 -0.066 0.000 2.096 206 R HA -0.257 4.099 4.340 0.027 0.000 0.240 206 R C 2.247 178.577 176.300 0.050 0.000 1.139 206 R CA 2.093 58.181 56.100 -0.020 0.000 0.952 206 R CB -0.094 30.203 30.300 -0.004 0.000 0.854 206 R HN 0.391 nan 8.270 nan 0.000 0.436 207 Q N -0.912 118.945 119.800 0.095 0.000 2.119 207 Q HA -0.162 4.194 4.340 0.027 0.000 0.201 207 Q C 1.809 177.934 176.000 0.210 0.000 0.972 207 Q CA 1.935 57.814 55.803 0.126 0.000 0.847 207 Q CB -0.296 28.513 28.738 0.117 0.000 0.903 207 Q HN 0.591 nan 8.270 nan 0.000 0.433 208 H N -0.497 118.646 119.070 0.122 0.000 2.319 208 H HA -0.126 4.447 4.556 0.027 0.000 0.299 208 H C 1.692 177.167 175.328 0.245 0.000 1.092 208 H CA 1.335 57.507 56.048 0.206 0.000 1.302 208 H CB 0.037 29.925 29.762 0.210 0.000 1.373 208 H HN 0.199 nan 8.280 nan 0.000 0.497 209 L N 0.153 121.450 121.223 0.124 0.000 2.046 209 L HA -0.186 4.170 4.340 0.027 0.000 0.208 209 L C 2.644 179.631 176.870 0.195 0.000 1.077 209 L CA 0.569 55.442 54.840 0.054 0.000 0.747 209 L CB -0.323 41.711 42.059 -0.041 0.000 0.896 209 L HN 0.322 nan 8.230 nan 0.000 0.432 210 L N 0.047 121.367 121.223 0.161 0.000 2.275 210 L HA -0.133 4.223 4.340 0.027 0.000 0.215 210 L C 2.553 179.508 176.870 0.142 0.000 1.119 210 L CA 1.490 56.412 54.840 0.137 0.000 0.790 210 L CB -0.543 41.573 42.059 0.096 0.000 0.919 210 L HN 0.083 nan 8.230 nan 0.000 0.443 211 R N -2.041 118.573 120.500 0.190 0.000 2.237 211 R HA -0.159 4.197 4.340 0.027 0.000 0.219 211 R C 0.744 176.928 176.300 -0.194 0.000 1.080 211 R CA 1.472 57.587 56.100 0.025 0.000 0.995 211 R CB -0.240 30.103 30.300 0.070 0.000 0.875 211 R HN 0.429 nan 8.270 nan 0.000 0.462 212 W N -0.802 120.552 121.300 0.090 0.000 2.991 212 W HA 0.336 5.012 4.660 0.027 0.000 0.391 212 W C 0.922 177.481 176.519 0.067 0.000 1.054 212 W CA 0.280 57.669 57.345 0.073 0.000 1.856 212 W CB 0.717 30.212 29.460 0.057 0.000 1.132 212 W HN 0.154 nan 8.180 nan 0.000 0.601 213 G N 0.465 109.384 108.800 0.197 0.000 2.157 213 G HA2 -0.291 3.685 3.960 0.027 0.000 0.248 213 G HA3 -0.291 3.685 3.960 0.027 0.000 0.248 213 G C -0.289 174.715 174.900 0.173 0.000 0.979 213 G CA -0.405 44.790 45.100 0.159 0.000 0.650 213 G HN 0.050 nan 8.290 nan 0.000 0.529 214 L N 2.038 123.376 121.223 0.192 0.000 2.282 214 L HA 0.531 4.887 4.340 0.027 0.000 0.287 214 L C 1.040 177.982 176.870 0.121 0.000 1.075 214 L CA 0.287 55.228 54.840 0.169 0.000 0.839 214 L CB 1.308 43.469 42.059 0.170 0.000 1.219 214 L HN 0.199 nan 8.230 nan 0.000 0.434 215 T N 2.160 116.777 114.554 0.105 0.000 2.779 215 T HA 0.359 4.725 4.350 0.027 0.000 0.296 215 T C 0.131 174.864 174.700 0.056 0.000 0.938 215 T CA -0.126 62.019 62.100 0.074 0.000 1.119 215 T CB 0.201 69.108 68.868 0.065 0.000 0.891 215 T HN 0.681 nan 8.240 nan 0.000 0.526 216 T N 5.413 119.994 114.554 0.046 0.000 2.916 216 T HA 0.732 5.098 4.350 0.027 0.000 0.292 216 T C -2.773 171.952 174.700 0.040 0.000 1.055 216 T CA -1.817 60.301 62.100 0.030 0.000 1.009 216 T CB 1.629 70.505 68.868 0.013 0.000 1.118 216 T HN 0.566 nan 8.240 nan 0.000 0.497 217 P HA 0.279 nan 4.420 nan 0.000 0.275 217 P C -0.788 176.557 177.300 0.075 0.000 1.228 217 P CA -0.295 62.861 63.100 0.094 0.000 0.786 217 P CB 0.644 32.403 31.700 0.098 0.000 0.927 218 D N 1.653 122.098 120.400 0.075 0.000 2.433 218 D HA 0.053 4.710 4.640 0.027 0.000 0.255 218 D C 1.073 177.372 176.300 -0.001 0.000 1.226 218 D CA -0.500 53.505 54.000 0.008 0.000 1.015 218 D CB 0.622 41.395 40.800 -0.043 0.000 1.091 218 D HN 0.078 nan 8.370 nan 0.000 0.527 219 K N 0.094 120.486 120.400 -0.013 0.000 2.074 219 K HA -0.223 4.113 4.320 0.027 0.000 0.209 219 K C 1.791 178.385 176.600 -0.011 0.000 1.048 219 K CA 1.758 58.048 56.287 0.006 0.000 0.926 219 K CB -0.290 32.215 32.500 0.007 0.000 0.713 219 K HN 0.463 nan 8.250 nan 0.000 0.444 220 K N -1.128 119.212 120.400 -0.101 0.000 2.555 220 K HA -0.084 4.252 4.320 0.027 0.000 0.193 220 K C 0.502 177.019 176.600 -0.139 0.000 1.032 220 K CA 1.067 57.259 56.287 -0.159 0.000 1.004 220 K CB -0.032 32.301 32.500 -0.278 0.000 0.804 220 K HN 0.458 nan 8.250 nan 0.000 0.496 221 H N -1.705 117.382 119.070 0.028 0.000 3.622 221 H HA 0.139 4.711 4.556 0.027 0.000 0.259 221 H C -0.277 175.069 175.328 0.030 0.000 1.145 221 H CA -0.586 55.476 56.048 0.024 0.000 1.178 221 H CB 0.817 30.587 29.762 0.013 0.000 1.542 221 H HN 0.086 nan 8.280 nan 0.000 0.586 222 Q N 2.017 121.904 119.800 0.145 0.000 2.361 222 Q HA 0.097 4.453 4.340 0.027 0.000 0.276 222 Q C -0.328 175.753 176.000 0.134 0.000 1.022 222 Q CA 0.418 56.287 55.803 0.110 0.000 0.898 222 Q CB 1.109 29.903 28.738 0.093 0.000 1.246 222 Q HN 0.208 nan 8.270 nan 0.000 0.410 223 K N 2.040 122.528 120.400 0.146 0.000 2.185 223 K HA 0.194 4.530 4.320 0.027 0.000 0.271 223 K C -0.327 176.483 176.600 0.350 0.000 1.013 223 K CA -0.374 56.046 56.287 0.221 0.000 0.943 223 K CB 0.729 33.365 32.500 0.227 0.000 0.998 223 K HN 0.403 nan 8.250 nan 0.000 0.468 224 E N 1.902 122.264 120.200 0.271 0.000 2.244 224 E HA 0.350 4.716 4.350 0.027 0.000 0.266 224 E C -2.444 174.007 176.600 -0.249 0.000 0.914 224 E CA -2.398 54.081 56.400 0.131 0.000 0.794 224 E CB 1.121 30.853 29.700 0.053 0.000 1.210 224 E HN 0.310 nan 8.360 nan 0.000 0.414 225 P HA 0.087 nan 4.420 nan 0.000 0.270 225 P C -2.236 174.807 177.300 -0.429 0.000 1.227 225 P CA -0.656 61.757 63.100 -1.145 0.000 0.788 225 P CB -0.304 30.948 31.700 -0.747 0.000 0.926 226 P HA 0.179 nan 4.420 nan 0.000 0.274 226 P C -1.124 175.899 177.300 -0.461 0.000 1.231 226 P CA 0.194 62.958 63.100 -0.559 0.000 0.790 226 P CB 0.371 31.692 31.700 -0.630 0.000 0.951 227 F N 0.721 120.646 119.950 -0.042 0.000 2.436 227 F HA 0.275 4.818 4.527 0.027 0.000 0.340 227 F C 0.708 176.576 175.800 0.112 0.000 1.113 227 F CA -1.140 56.901 58.000 0.068 0.000 1.022 227 F CB 0.985 40.051 39.000 0.110 0.000 1.128 227 F HN 0.070 nan 8.300 nan 0.000 0.466 228 L N 5.505 126.939 121.223 0.353 0.000 2.448 228 L HA 0.121 4.477 4.340 0.027 0.000 0.278 228 L C -0.788 176.267 176.870 0.309 0.000 1.201 228 L CA 0.020 55.014 54.840 0.258 0.000 1.036 228 L CB -0.518 41.648 42.059 0.178 0.000 1.325 228 L HN 0.625 nan 8.230 nan 0.000 0.441 229 W N 7.096 128.453 121.300 0.095 0.000 2.376 229 W HA 0.273 4.948 4.660 0.026 0.000 0.312 229 W C -0.337 176.224 176.519 0.070 0.000 1.060 229 W CA -1.489 55.859 57.345 0.004 0.000 1.221 229 W CB 1.151 30.550 29.460 -0.101 0.000 1.281 229 W HN 0.388 nan 8.180 nan 0.000 0.456 230 M N 6.181 125.475 119.600 -0.511 0.000 3.673 230 M HA -0.222 4.274 4.480 0.027 0.000 0.200 230 M C 1.284 177.622 176.300 0.063 0.000 1.485 230 M CA 2.389 57.470 55.300 -0.364 0.000 0.995 230 M CB -1.200 31.016 32.600 -0.640 0.000 1.354 230 M HN 0.834 nan 8.290 nan 0.000 0.424 231 G N -0.136 108.693 108.800 0.050 0.000 2.458 231 G HA2 -0.330 3.646 3.960 0.027 0.000 0.237 231 G HA3 -0.330 3.646 3.960 0.027 0.000 0.237 231 G C -0.065 174.948 174.900 0.188 0.000 1.113 231 G CA 0.290 45.437 45.100 0.079 0.000 0.655 231 G HN 0.625 nan 8.290 nan 0.000 0.513 232 Y N 1.210 121.625 120.300 0.191 0.000 2.374 232 Y HA 0.661 5.227 4.550 0.027 0.000 0.322 232 Y C 0.679 176.720 175.900 0.235 0.000 1.275 232 Y CA -0.737 57.516 58.100 0.256 0.000 1.307 232 Y CB 0.979 39.607 38.460 0.280 0.000 1.282 232 Y HN 0.289 nan 8.280 nan 0.000 0.509 233 E N 2.149 122.584 120.200 0.392 0.000 2.218 233 E HA 0.557 4.923 4.350 0.027 0.000 0.263 233 E C -2.215 174.499 176.600 0.190 0.000 0.879 233 E CA -0.890 55.639 56.400 0.216 0.000 0.762 233 E CB 0.734 30.517 29.700 0.139 0.000 1.166 233 E HN 0.510 nan 8.360 nan 0.000 0.415 234 L N 2.090 123.371 121.223 0.096 0.000 2.362 234 L HA 0.577 4.933 4.340 0.027 0.000 0.275 234 L C -0.768 176.023 176.870 -0.131 0.000 0.998 234 L CA -0.877 54.045 54.840 0.138 0.000 0.820 234 L CB 1.143 43.400 42.059 0.330 0.000 1.270 234 L HN 0.494 nan 8.230 nan 0.000 0.415 235 H N 1.406 120.589 119.070 0.188 0.000 2.595 235 H HA 0.500 5.072 4.556 0.027 0.000 0.346 235 H C -1.762 173.682 175.328 0.194 0.000 1.181 235 H CA -1.694 54.400 56.048 0.077 0.000 1.242 235 H CB 0.800 30.574 29.762 0.020 0.000 1.652 235 H HN 0.456 nan 8.280 nan 0.000 0.548 236 P HA -0.218 nan 4.420 nan 0.000 0.218 236 P C 0.340 177.833 177.300 0.320 0.000 1.146 236 P CA 1.780 65.016 63.100 0.227 0.000 0.813 236 P CB 0.449 32.212 31.700 0.106 0.000 0.778 237 D N -0.948 119.594 120.400 0.237 0.000 2.423 237 D HA 0.025 4.681 4.640 0.027 0.000 0.212 237 D C 0.829 177.096 176.300 -0.055 0.000 1.060 237 D CA 0.435 54.517 54.000 0.135 0.000 0.872 237 D CB 0.127 40.948 40.800 0.036 0.000 1.012 237 D HN 0.343 nan 8.370 nan 0.000 0.503 238 K N -0.873 119.475 120.400 -0.086 0.000 2.579 238 K HA 0.384 4.720 4.320 0.027 0.000 0.284 238 K C -1.150 175.388 176.600 -0.104 0.000 0.990 238 K CA -1.078 54.971 56.287 -0.397 0.000 0.880 238 K CB 1.319 33.678 32.500 -0.235 0.000 1.488 238 K HN 0.111 nan 8.250 nan 0.000 0.425 239 W N 0.514 121.726 121.300 -0.147 0.000 2.639 239 W HA 0.675 5.350 4.660 0.025 0.000 0.347 239 W C -1.467 175.171 176.519 0.199 0.000 1.067 239 W CA -0.974 56.454 57.345 0.138 0.000 1.218 239 W CB 1.345 30.928 29.460 0.205 0.000 1.393 239 W HN 0.480 nan 8.180 nan 0.000 0.557 240 T N 1.138 116.032 114.554 0.567 0.000 2.933 240 T HA 0.267 4.633 4.350 0.027 0.000 0.305 240 T C -0.663 174.266 174.700 0.382 0.000 1.092 240 T CA -0.645 61.679 62.100 0.373 0.000 1.008 240 T CB 2.161 71.197 68.868 0.280 0.000 1.102 240 T HN 0.303 nan 8.240 nan 0.000 0.469 241 V N 3.204 123.279 119.914 0.269 0.000 2.421 241 V HA 0.126 4.262 4.120 0.027 0.000 0.271 241 V C 0.986 177.163 176.094 0.139 0.000 1.031 241 V CA -0.255 62.111 62.300 0.109 0.000 1.032 241 V CB 0.355 32.202 31.823 0.041 0.000 1.009 241 V HN 0.888 nan 8.190 nan 0.000 0.477 242 Q N 8.280 128.145 119.800 0.109 0.000 2.364 242 Q HA 0.063 4.420 4.340 0.027 0.000 0.263 242 Q C -1.790 174.277 176.000 0.111 0.000 1.276 242 Q CA -1.326 54.539 55.803 0.103 0.000 0.923 242 Q CB 0.286 29.063 28.738 0.066 0.000 1.477 242 Q HN 0.613 nan 8.270 nan 0.000 0.484 243 P HA -0.190 nan 4.420 nan 0.000 0.264 243 P C -0.488 176.880 177.300 0.113 0.000 1.156 243 P CA 0.332 63.528 63.100 0.159 0.000 0.756 243 P CB 0.364 32.133 31.700 0.116 0.000 0.764 244 I N 4.374 125.026 120.570 0.137 0.000 2.365 244 I HA 0.138 4.324 4.170 0.027 0.000 0.291 244 I C -0.631 175.513 176.117 0.045 0.000 1.004 244 I CA -0.788 60.563 61.300 0.084 0.000 1.311 244 I CB 1.128 39.208 38.000 0.133 0.000 1.401 244 I HN 0.056 nan 8.210 nan 0.000 0.491 245 V N 8.494 128.425 119.914 0.028 0.000 2.347 245 V HA 0.345 4.482 4.120 0.027 0.000 0.280 245 V C 0.033 176.147 176.094 0.033 0.000 1.021 245 V CA -0.704 61.610 62.300 0.023 0.000 0.847 245 V CB 0.991 32.822 31.823 0.014 0.000 0.990 245 V HN 0.516 nan 8.190 nan 0.000 0.444 246 L N 7.716 128.966 121.223 0.045 0.000 2.260 246 L HA 0.409 4.765 4.340 0.027 0.000 0.289 246 L C -1.825 175.100 176.870 0.093 0.000 1.057 246 L CA -1.590 53.300 54.840 0.083 0.000 0.811 246 L CB 1.392 43.503 42.059 0.087 0.000 1.184 246 L HN 0.457 nan 8.230 nan 0.000 0.429 247 P HA 0.010 nan 4.420 nan 0.000 0.264 247 P C -0.430 176.904 177.300 0.056 0.000 1.236 247 P CA -0.216 62.902 63.100 0.031 0.000 0.811 247 P CB 0.740 32.418 31.700 -0.037 0.000 0.840 248 E N 4.676 124.904 120.200 0.046 0.000 2.344 248 E HA 0.163 4.530 4.350 0.027 0.000 0.270 248 E C -0.071 176.509 176.600 -0.033 0.000 1.021 248 E CA -0.041 56.404 56.400 0.075 0.000 0.887 248 E CB 0.402 30.131 29.700 0.049 0.000 0.997 248 E HN 0.475 nan 8.360 nan 0.000 0.429 249 K N 2.494 122.863 120.400 -0.052 0.000 2.579 249 K HA 0.356 4.692 4.320 0.027 0.000 0.284 249 K C -0.632 175.863 176.600 -0.174 0.000 0.990 249 K CA -0.871 55.270 56.287 -0.243 0.000 0.880 249 K CB 0.959 33.120 32.500 -0.564 0.000 1.488 249 K HN 0.165 nan 8.250 nan 0.000 0.425 250 D N 1.230 121.523 120.400 -0.178 0.000 2.098 250 D HA -0.120 4.536 4.640 0.027 0.000 0.207 250 D C 0.505 176.771 176.300 -0.058 0.000 0.979 250 D CA 1.756 55.709 54.000 -0.079 0.000 0.878 250 D CB -0.353 40.401 40.800 -0.077 0.000 1.028 250 D HN 0.633 nan 8.370 nan 0.000 0.452 251 S N -1.187 114.435 115.700 -0.129 0.000 2.578 251 S HA 0.502 4.988 4.470 0.027 0.000 0.283 251 S C -1.054 173.447 174.600 -0.165 0.000 1.195 251 S CA -0.865 57.308 58.200 -0.045 0.000 1.050 251 S CB 0.906 64.087 63.200 -0.031 0.000 1.012 251 S HN 0.254 nan 8.310 nan 0.000 0.511 252 W N 1.219 122.516 121.300 -0.004 0.000 2.656 252 W HA 0.499 5.176 4.660 0.029 0.000 0.327 252 W C 0.408 176.925 176.519 -0.003 0.000 1.041 252 W CA -0.527 56.816 57.345 -0.004 0.000 1.229 252 W CB 2.017 31.474 29.460 -0.004 0.000 1.397 252 W HN 0.932 nan 8.180 nan 0.000 0.479 253 T N -1.662 113.029 114.554 0.229 0.000 2.912 253 T HA 0.349 4.715 4.350 0.027 0.000 0.280 253 T C 0.823 175.615 174.700 0.153 0.000 0.989 253 T CA -0.739 61.445 62.100 0.139 0.000 0.995 253 T CB 1.187 70.100 68.868 0.075 0.000 1.077 253 T HN 0.196 nan 8.240 nan 0.000 0.531 254 V N 1.385 121.355 119.914 0.095 0.000 2.237 254 V HA -0.184 3.952 4.120 0.027 0.000 0.245 254 V C 2.945 179.088 176.094 0.081 0.000 1.046 254 V CA 2.164 64.508 62.300 0.074 0.000 1.007 254 V CB -1.226 30.625 31.823 0.047 0.000 0.638 254 V HN 0.961 nan 8.190 nan 0.000 0.445 255 N N 0.617 119.358 118.700 0.068 0.000 2.049 255 N HA -0.240 4.516 4.740 0.027 0.000 0.198 255 N C 1.539 177.104 175.510 0.092 0.000 1.030 255 N CA 2.230 55.317 53.050 0.062 0.000 0.870 255 N CB -0.533 37.980 38.487 0.043 0.000 1.045 255 N HN 0.494 nan 8.380 nan 0.000 0.434 256 D N 0.430 120.909 120.400 0.131 0.000 2.106 256 D HA -0.153 4.503 4.640 0.027 0.000 0.191 256 D C 2.046 178.503 176.300 0.263 0.000 0.997 256 D CA 0.774 54.903 54.000 0.215 0.000 0.834 256 D CB -0.395 40.577 40.800 0.287 0.000 0.956 256 D HN 0.290 nan 8.370 nan 0.000 0.448 257 I N 1.204 121.908 120.570 0.224 0.000 2.248 257 I HA -0.250 3.937 4.170 0.027 0.000 0.248 257 I C 2.293 178.438 176.117 0.046 0.000 1.107 257 I CA 1.213 62.559 61.300 0.077 0.000 1.373 257 I CB -1.042 36.964 38.000 0.009 0.000 1.055 257 I HN 0.192 nan 8.210 nan 0.000 0.418 258 Q N 0.828 120.663 119.800 0.059 0.000 1.993 258 Q HA -0.209 4.147 4.340 0.027 0.000 0.202 258 Q C 2.235 178.265 176.000 0.049 0.000 0.984 258 Q CA 1.489 57.317 55.803 0.042 0.000 0.837 258 Q CB -0.238 28.524 28.738 0.040 0.000 0.902 258 Q HN 0.486 nan 8.270 nan 0.000 0.423 259 K N 0.598 121.035 120.400 0.063 0.000 2.113 259 K HA -0.204 4.132 4.320 0.027 0.000 0.208 259 K C 2.081 178.722 176.600 0.068 0.000 1.047 259 K CA 1.169 57.491 56.287 0.058 0.000 0.928 259 K CB -0.287 32.249 32.500 0.060 0.000 0.716 259 K HN 0.067 nan 8.250 nan 0.000 0.446 260 L N 0.836 122.115 121.223 0.093 0.000 1.976 260 L HA -0.166 4.190 4.340 0.027 0.000 0.209 260 L C 2.027 178.924 176.870 0.044 0.000 1.071 260 L CA 1.556 56.445 54.840 0.083 0.000 0.746 260 L CB -0.420 41.675 42.059 0.060 0.000 0.890 260 L HN -0.082 nan 8.230 nan 0.000 0.432 261 V N 0.491 120.418 119.914 0.023 0.000 2.469 261 V HA -0.226 3.910 4.120 0.027 0.000 0.251 261 V C 2.535 178.662 176.094 0.055 0.000 1.064 261 V CA 1.600 63.914 62.300 0.023 0.000 1.066 261 V CB -1.758 30.070 31.823 0.009 0.000 0.667 261 V HN 0.682 nan 8.190 nan 0.000 0.461 262 G N -0.016 108.820 108.800 0.059 0.000 2.604 262 G HA2 -0.275 3.701 3.960 0.027 0.000 0.216 262 G HA3 -0.275 3.701 3.960 0.027 0.000 0.216 262 G C 1.535 176.502 174.900 0.112 0.000 1.265 262 G CA 1.125 46.270 45.100 0.075 0.000 0.804 262 G HN 0.382 nan 8.290 nan 0.000 0.579 263 K N -0.077 120.372 120.400 0.080 0.000 2.015 263 K HA -0.096 4.240 4.320 0.027 0.000 0.220 263 K C 2.489 179.205 176.600 0.194 0.000 1.055 263 K CA 0.934 57.276 56.287 0.093 0.000 0.951 263 K CB -0.963 31.565 32.500 0.046 0.000 0.725 263 K HN 0.157 nan 8.250 nan 0.000 0.449 264 L N 1.093 122.397 121.223 0.135 0.000 2.010 264 L HA -0.298 4.058 4.340 0.027 0.000 0.219 264 L C 2.113 179.074 176.870 0.152 0.000 1.077 264 L CA 2.099 57.015 54.840 0.128 0.000 0.773 264 L CB -1.416 40.678 42.059 0.060 0.000 0.892 264 L HN 0.389 nan 8.230 nan 0.000 0.436 265 N N -1.161 117.620 118.700 0.135 0.000 2.120 265 N HA -0.268 4.488 4.740 0.027 0.000 0.188 265 N C 1.828 177.417 175.510 0.131 0.000 1.024 265 N CA 1.584 54.699 53.050 0.108 0.000 0.852 265 N CB -0.395 38.146 38.487 0.090 0.000 1.003 265 N HN 0.375 nan 8.380 nan 0.000 0.424 266 W N 0.982 122.288 121.300 0.010 0.000 2.342 266 W HA -0.125 4.553 4.660 0.029 0.000 0.297 266 W C 2.032 178.553 176.519 0.003 0.000 1.213 266 W CA 1.874 59.221 57.345 0.002 0.000 1.251 266 W CB -0.334 29.128 29.460 0.004 0.000 1.136 266 W HN 0.142 nan 8.180 nan 0.000 0.526 267 A N -0.538 122.510 122.820 0.381 0.000 2.067 267 A HA -0.084 4.253 4.320 0.027 0.000 0.217 267 A C 1.943 179.545 177.584 0.030 0.000 1.156 267 A CA 1.552 53.743 52.037 0.256 0.000 0.683 267 A CB -0.966 18.326 19.000 0.488 0.000 0.808 267 A HN 0.231 nan 8.150 nan 0.000 0.455 268 S N 0.118 115.820 115.700 0.003 0.000 2.402 268 S HA -0.201 4.285 4.470 0.027 0.000 0.233 268 S C 2.085 176.598 174.600 -0.145 0.000 1.030 268 S CA 1.407 59.587 58.200 -0.033 0.000 1.003 268 S CB -0.266 62.916 63.200 -0.031 0.000 0.813 268 S HN 0.604 nan 8.310 nan 0.000 0.477 269 Q N 0.388 120.017 119.800 -0.285 0.000 2.061 269 Q HA -0.064 4.292 4.340 0.027 0.000 0.204 269 Q C 2.250 178.027 176.000 -0.371 0.000 0.984 269 Q CA 1.215 56.786 55.803 -0.387 0.000 0.846 269 Q CB -0.577 27.832 28.738 -0.547 0.000 0.902 269 Q HN 0.546 nan 8.270 nan 0.000 0.421 270 I N -1.108 119.216 120.570 -0.409 0.000 2.429 270 I HA -0.138 4.048 4.170 0.027 0.000 0.247 270 I C 0.138 176.073 176.117 -0.303 0.000 1.099 270 I CA 0.738 61.794 61.300 -0.405 0.000 1.422 270 I CB 0.102 37.746 38.000 -0.593 0.000 1.112 270 I HN -0.021 nan 8.210 nan 0.000 0.430 271 Y N 2.589 122.843 120.300 -0.076 0.000 2.802 271 Y HA 0.446 5.012 4.550 0.025 0.000 0.330 271 Y C -2.226 173.642 175.900 -0.053 0.000 1.193 271 Y CA -3.402 54.677 58.100 -0.036 0.000 1.427 271 Y CB -0.686 37.773 38.460 -0.001 0.000 1.357 271 Y HN 0.112 nan 8.280 nan 0.000 0.501 272 P HA 0.227 nan 4.420 nan 0.000 0.271 272 P C 0.936 178.257 177.300 0.034 0.000 1.220 272 P CA 0.841 63.946 63.100 0.007 0.000 0.768 272 P CB 1.095 32.775 31.700 -0.033 0.000 0.848 273 G N 2.819 111.630 108.800 0.018 0.000 2.624 273 G HA2 -0.142 3.834 3.960 0.027 0.000 0.190 273 G HA3 -0.142 3.834 3.960 0.027 0.000 0.190 273 G C 0.094 174.997 174.900 0.004 0.000 1.008 273 G CA -0.537 44.569 45.100 0.010 0.000 0.731 273 G HN 0.406 nan 8.290 nan 0.000 0.478 274 I N 1.835 122.417 120.570 0.020 0.000 2.752 274 I HA 0.273 4.459 4.170 0.027 0.000 0.287 274 I C 0.515 176.631 176.117 -0.001 0.000 1.188 274 I CA 0.849 62.156 61.300 0.012 0.000 1.427 274 I CB 0.812 38.838 38.000 0.043 0.000 1.365 274 I HN 0.156 nan 8.210 nan 0.000 0.585 275 K N 4.414 124.806 120.400 -0.013 0.000 2.385 275 K HA 0.581 4.917 4.320 0.027 0.000 0.248 275 K C 0.027 176.612 176.600 -0.025 0.000 0.955 275 K CA -0.578 55.697 56.287 -0.019 0.000 0.816 275 K CB 2.687 35.171 32.500 -0.026 0.000 1.250 275 K HN 0.413 nan 8.250 nan 0.000 0.434 276 V N -2.085 117.814 119.914 -0.026 0.000 3.432 276 V HA 0.171 4.307 4.120 0.027 0.000 0.290 276 V C 1.601 177.673 176.094 -0.038 0.000 1.591 276 V CA -0.295 61.985 62.300 -0.034 0.000 1.069 276 V CB 0.182 31.994 31.823 -0.019 0.000 0.892 276 V HN 0.750 nan 8.190 nan 0.000 0.436 277 R N 0.770 121.250 120.500 -0.033 0.000 2.136 277 R HA -0.281 4.075 4.340 0.027 0.000 0.242 277 R C 2.307 178.583 176.300 -0.040 0.000 1.131 277 R CA 2.957 59.038 56.100 -0.031 0.000 0.937 277 R CB -0.162 30.120 30.300 -0.029 0.000 0.863 277 R HN 0.519 nan 8.270 nan 0.000 0.435 278 Q N 0.121 119.892 119.800 -0.048 0.000 2.084 278 Q HA -0.033 4.324 4.340 0.027 0.000 0.202 278 Q C 0.513 176.469 176.000 -0.074 0.000 0.978 278 Q CA 0.821 56.590 55.803 -0.057 0.000 0.844 278 Q CB -0.308 28.394 28.738 -0.060 0.000 0.898 278 Q HN 0.139 nan 8.270 nan 0.000 0.426 282 L N 1.826 123.023 121.223 -0.044 0.000 2.265 282 L HA -0.103 4.253 4.340 0.027 0.000 0.215 282 L C 1.934 178.793 176.870 -0.019 0.000 1.117 282 L CA 1.416 56.233 54.840 -0.038 0.000 0.782 282 L CB -0.837 41.184 42.059 -0.064 0.000 0.914 282 L HN 0.216 nan 8.230 nan 0.000 0.441 283 L N -0.188 121.025 121.223 -0.017 0.000 2.109 283 L HA -0.059 4.297 4.340 0.027 0.000 0.207 283 L C 1.262 178.132 176.870 -0.001 0.000 1.086 283 L CA 0.679 55.517 54.840 -0.004 0.000 0.760 283 L CB -1.000 41.057 42.059 -0.002 0.000 0.910 283 L HN 0.217 nan 8.230 nan 0.000 0.437 284 R N 0.505 121.002 120.500 -0.005 0.000 2.870 284 R HA -0.043 4.314 4.340 0.027 0.000 0.283 284 R C 1.341 177.641 176.300 0.000 0.000 0.805 284 R CA 0.788 56.886 56.100 -0.003 0.000 1.110 284 R CB -0.704 29.593 30.300 -0.006 0.000 0.900 284 R HN 0.526 nan 8.270 nan 0.000 0.406 285 G N 1.948 110.750 108.800 0.003 0.000 2.184 285 G HA2 -0.373 3.603 3.960 0.027 0.000 0.264 285 G HA3 -0.373 3.603 3.960 0.027 0.000 0.264 285 G C 0.325 175.230 174.900 0.007 0.000 0.975 285 G CA 0.469 45.572 45.100 0.004 0.000 0.642 285 G HN 0.795 nan 8.290 nan 0.000 0.536 286 T N -0.211 114.348 114.554 0.009 0.000 2.718 286 T HA 0.260 4.626 4.350 0.027 0.000 0.265 286 T C 1.421 176.129 174.700 0.013 0.000 1.014 286 T CA 1.103 63.211 62.100 0.013 0.000 1.172 286 T CB 1.077 69.954 68.868 0.015 0.000 1.007 286 T HN 0.938 nan 8.240 nan 0.000 0.500 287 K N 1.928 122.336 120.400 0.013 0.000 2.284 287 K HA 0.444 4.780 4.320 0.027 0.000 0.198 287 K C 0.647 177.255 176.600 0.013 0.000 1.048 287 K CA 0.168 56.462 56.287 0.012 0.000 0.987 287 K CB 0.475 32.982 32.500 0.011 0.000 0.800 287 K HN 0.740 nan 8.250 nan 0.000 0.486 288 A N 0.485 123.314 122.820 0.016 0.000 2.539 288 A HA 0.471 4.807 4.320 0.027 0.000 0.296 288 A C 0.004 177.601 177.584 0.021 0.000 1.073 288 A CA -0.761 51.285 52.037 0.016 0.000 0.700 288 A CB 1.259 20.267 19.000 0.015 0.000 1.296 288 A HN 0.072 nan 8.150 nan 0.000 0.405 289 L N 0.830 122.065 121.223 0.020 0.000 2.141 289 L HA -0.042 4.314 4.340 0.027 0.000 0.209 289 L C 2.503 179.390 176.870 0.028 0.000 1.094 289 L CA 2.645 57.499 54.840 0.024 0.000 0.763 289 L CB -0.372 41.699 42.059 0.020 0.000 0.908 289 L HN 0.911 nan 8.230 nan 0.000 0.437 290 T N -3.533 111.034 114.554 0.022 0.000 3.188 290 T HA 0.067 4.434 4.350 0.027 0.000 0.250 290 T C 0.599 175.313 174.700 0.024 0.000 1.077 290 T CA -0.403 61.709 62.100 0.020 0.000 0.967 290 T CB -0.467 68.407 68.868 0.011 0.000 1.006 290 T HN 0.345 nan 8.240 nan 0.000 0.552 291 E N 1.929 122.146 120.200 0.029 0.000 2.354 291 E HA 0.351 4.717 4.350 0.027 0.000 0.269 291 E C -0.012 176.616 176.600 0.046 0.000 1.036 291 E CA -0.917 55.502 56.400 0.031 0.000 0.876 291 E CB 1.158 30.875 29.700 0.028 0.000 1.009 291 E HN 0.314 nan 8.360 nan 0.000 0.416 292 V N 2.039 121.981 119.914 0.047 0.000 2.539 292 V HA 0.569 4.706 4.120 0.027 0.000 0.292 292 V C -0.327 175.811 176.094 0.073 0.000 1.045 292 V CA -0.780 61.562 62.300 0.070 0.000 0.945 292 V CB 1.024 32.881 31.823 0.056 0.000 0.993 292 V HN 0.578 nan 8.190 nan 0.000 0.464 293 I N 4.981 125.614 120.570 0.104 0.000 2.569 293 I HA 0.545 4.731 4.170 0.027 0.000 0.296 293 I C -2.284 173.885 176.117 0.086 0.000 1.028 293 I CA -2.091 59.255 61.300 0.077 0.000 1.082 293 I CB 2.446 40.478 38.000 0.054 0.000 1.264 293 I HN 0.607 nan 8.210 nan 0.000 0.429 294 P HA 0.161 nan 4.420 nan 0.000 0.277 294 P C -0.414 176.900 177.300 0.023 0.000 1.354 294 P CA -0.295 62.834 63.100 0.048 0.000 0.891 294 P CB 0.553 32.271 31.700 0.030 0.000 1.058 295 L N 3.774 125.014 121.223 0.029 0.000 2.638 295 L HA 0.024 4.380 4.340 0.027 0.000 0.273 295 L C 1.273 178.122 176.870 -0.034 0.000 1.147 295 L CA 0.249 55.062 54.840 -0.044 0.000 0.941 295 L CB -0.042 41.966 42.059 -0.085 0.000 1.251 295 L HN 0.412 nan 8.230 nan 0.000 0.479 296 T N 1.820 116.347 114.554 -0.045 0.000 2.939 296 T HA -0.073 4.294 4.350 0.027 0.000 0.319 296 T C 1.327 176.005 174.700 -0.037 0.000 1.082 296 T CA 0.392 62.471 62.100 -0.034 0.000 1.133 296 T CB 0.730 69.576 68.868 -0.037 0.000 1.019 296 T HN 0.846 nan 8.240 nan 0.000 0.548 297 E N 1.924 122.110 120.200 -0.023 0.000 2.204 297 E HA -0.191 4.175 4.350 0.027 0.000 0.195 297 E C 1.585 178.167 176.600 -0.030 0.000 0.990 297 E CA 1.472 57.859 56.400 -0.021 0.000 0.821 297 E CB -0.124 29.568 29.700 -0.012 0.000 0.750 297 E HN 0.795 nan 8.360 nan 0.000 0.477 298 E N 0.805 120.985 120.200 -0.034 0.000 2.106 298 E HA -0.073 4.293 4.350 0.027 0.000 0.192 298 E C 1.967 178.535 176.600 -0.053 0.000 0.984 298 E CA 1.515 57.893 56.400 -0.037 0.000 0.806 298 E CB -0.287 29.393 29.700 -0.035 0.000 0.750 298 E HN 0.480 nan 8.360 nan 0.000 0.458 299 A N 0.767 123.546 122.820 -0.068 0.000 2.014 299 A HA -0.135 4.201 4.320 0.027 0.000 0.218 299 A C 1.907 179.426 177.584 -0.107 0.000 1.163 299 A CA 0.998 52.974 52.037 -0.102 0.000 0.652 299 A CB -0.213 18.706 19.000 -0.135 0.000 0.808 299 A HN 0.045 nan 8.150 nan 0.000 0.449 300 E N 0.100 120.254 120.200 -0.077 0.000 2.031 300 E HA -0.135 4.232 4.350 0.027 0.000 0.193 300 E C 2.062 178.637 176.600 -0.043 0.000 0.994 300 E CA 0.772 57.140 56.400 -0.054 0.000 0.800 300 E CB -0.382 29.304 29.700 -0.024 0.000 0.752 300 E HN 0.437 nan 8.360 nan 0.000 0.447 301 L N 1.063 122.264 121.223 -0.037 0.000 2.012 301 L HA -0.189 4.168 4.340 0.027 0.000 0.210 301 L C 2.427 179.274 176.870 -0.038 0.000 1.073 301 L CA 1.654 56.476 54.840 -0.031 0.000 0.748 301 L CB -1.060 40.982 42.059 -0.027 0.000 0.891 301 L HN 0.260 nan 8.230 nan 0.000 0.431 302 E N -0.002 120.168 120.200 -0.050 0.000 2.028 302 E HA -0.230 4.136 4.350 0.027 0.000 0.191 302 E C 2.460 179.024 176.600 -0.061 0.000 0.988 302 E CA 0.825 57.193 56.400 -0.054 0.000 0.799 302 E CB -0.017 29.646 29.700 -0.061 0.000 0.755 302 E HN 0.358 nan 8.360 nan 0.000 0.447 303 L N 0.367 121.541 121.223 -0.081 0.000 2.042 303 L HA -0.226 4.131 4.340 0.027 0.000 0.210 303 L C 2.416 179.258 176.870 -0.046 0.000 1.076 303 L CA 1.492 56.280 54.840 -0.087 0.000 0.749 303 L CB -0.335 41.641 42.059 -0.138 0.000 0.893 303 L HN 0.216 nan 8.230 nan 0.000 0.432 304 A N -0.409 122.391 122.820 -0.034 0.000 1.835 304 A HA -0.312 4.024 4.320 0.027 0.000 0.215 304 A C 2.111 179.678 177.584 -0.028 0.000 1.199 304 A CA 1.812 53.838 52.037 -0.018 0.000 0.615 304 A CB -0.894 18.099 19.000 -0.013 0.000 0.838 304 A HN 0.540 nan 8.150 nan 0.000 0.444 305 E N -0.358 119.822 120.200 -0.032 0.000 2.253 305 E HA -0.280 4.087 4.350 0.027 0.000 0.202 305 E C 1.628 178.199 176.600 -0.048 0.000 1.014 305 E CA 1.497 57.876 56.400 -0.036 0.000 0.823 305 E CB -0.106 29.574 29.700 -0.033 0.000 0.736 305 E HN 0.585 nan 8.360 nan 0.000 0.478 306 N N 0.208 118.878 118.700 -0.051 0.000 2.148 306 N HA -0.071 4.686 4.740 0.027 0.000 0.186 306 N C 1.589 177.049 175.510 -0.083 0.000 1.031 306 N CA 0.885 53.896 53.050 -0.065 0.000 0.848 306 N CB -0.281 38.177 38.487 -0.050 0.000 1.005 306 N HN 0.138 nan 8.380 nan 0.000 0.427 307 R N 0.914 121.382 120.500 -0.054 0.000 2.185 307 R HA -0.119 4.237 4.340 0.027 0.000 0.247 307 R C 1.623 177.881 176.300 -0.071 0.000 1.159 307 R CA 1.014 57.085 56.100 -0.048 0.000 0.988 307 R CB -0.009 30.281 30.300 -0.016 0.000 0.871 307 R HN 0.304 nan 8.270 nan 0.000 0.458 308 E N 0.337 120.495 120.200 -0.071 0.000 2.051 308 E HA -0.077 4.290 4.350 0.027 0.000 0.189 308 E C 2.077 178.607 176.600 -0.117 0.000 0.979 308 E CA 0.648 57.004 56.400 -0.072 0.000 0.803 308 E CB -0.022 29.648 29.700 -0.050 0.000 0.761 308 E HN 0.204 nan 8.360 nan 0.000 0.451 309 I N 1.245 121.726 120.570 -0.148 0.000 2.264 309 I HA -0.242 3.945 4.170 0.027 0.000 0.248 309 I C 2.116 177.940 176.117 -0.489 0.000 1.111 309 I CA 1.101 62.263 61.300 -0.230 0.000 1.382 309 I CB -0.756 37.127 38.000 -0.195 0.000 1.060 309 I HN 0.085 nan 8.210 nan 0.000 0.418 310 L N -0.131 120.814 121.223 -0.464 0.000 2.645 310 L HA -0.058 4.298 4.340 0.027 0.000 0.235 310 L C 2.029 178.749 176.870 -0.250 0.000 1.150 310 L CA 0.096 54.601 54.840 -0.558 0.000 0.911 310 L CB -0.478 41.409 42.059 -0.286 0.000 1.077 310 L HN 0.138 nan 8.230 nan 0.000 0.438 311 K N 1.342 121.637 120.400 -0.175 0.000 2.025 311 K HA -0.064 4.273 4.320 0.027 0.000 0.211 311 K C 0.919 177.511 176.600 -0.014 0.000 1.029 311 K CA 0.377 56.624 56.287 -0.065 0.000 0.948 311 K CB 0.138 32.608 32.500 -0.050 0.000 0.768 311 K HN 0.070 nan 8.250 nan 0.000 0.446 312 E N 2.453 122.650 120.200 -0.004 0.000 2.026 312 E HA 0.003 4.370 4.350 0.027 0.000 0.249 312 E C -2.224 174.468 176.600 0.153 0.000 1.273 312 E CA -1.543 54.890 56.400 0.055 0.000 0.991 312 E CB 0.166 29.896 29.700 0.050 0.000 1.076 312 E HN 0.077 nan 8.360 nan 0.000 0.438 313 P HA -0.060 nan 4.420 nan 0.000 0.270 313 P C -1.171 176.250 177.300 0.200 0.000 1.227 313 P CA -0.261 62.982 63.100 0.239 0.000 0.788 313 P CB 0.745 32.540 31.700 0.159 0.000 0.926 314 V N 2.104 122.123 119.914 0.174 0.000 2.577 314 V HA 0.358 4.494 4.120 0.027 0.000 0.303 314 V C -0.205 175.890 176.094 0.001 0.000 1.042 314 V CA -0.598 61.766 62.300 0.105 0.000 0.872 314 V CB 0.980 32.847 31.823 0.073 0.000 0.998 314 V HN 0.736 nan 8.190 nan 0.000 0.423 315 H N 4.921 123.842 119.070 -0.247 0.000 2.437 315 H HA 0.896 5.468 4.556 0.027 0.000 0.338 315 H C -0.081 174.628 175.328 -1.031 0.000 1.495 315 H CA -0.304 55.428 56.048 -0.526 0.000 1.453 315 H CB 1.748 31.275 29.762 -0.392 0.000 1.707 315 H HN 0.913 nan 8.280 nan 0.000 0.655 316 G N -1.269 106.311 108.800 -2.033 0.000 2.608 316 G HA2 0.434 4.411 3.960 0.027 0.000 0.291 316 G HA3 0.434 4.411 3.960 0.027 0.000 0.291 316 G C -1.623 172.364 174.900 -1.522 0.000 1.425 316 G CA -0.006 43.842 45.100 -2.086 0.000 0.787 316 G HN 0.686 nan 8.290 nan 0.000 0.484 317 V N -0.945 118.633 119.914 -0.558 0.000 3.204 317 V HA 0.864 5.000 4.120 0.027 0.000 0.316 317 V C -0.977 175.166 176.094 0.082 0.000 1.160 317 V CA -0.936 61.167 62.300 -0.329 0.000 1.044 317 V CB 1.882 33.611 31.823 -0.157 0.000 1.136 317 V HN 0.649 nan 8.190 nan 0.000 0.455 318 Y N 0.410 120.860 120.300 0.250 0.000 2.480 318 Y HA 0.408 4.974 4.550 0.028 0.000 0.323 318 Y C -0.091 175.958 175.900 0.249 0.000 1.267 318 Y CA -1.017 57.247 58.100 0.274 0.000 1.336 318 Y CB 0.429 39.009 38.460 0.201 0.000 1.361 318 Y HN 0.624 nan 8.280 nan 0.000 0.518 319 Y N 1.530 122.029 120.300 0.332 0.000 2.511 319 Y HA 0.088 4.654 4.550 0.027 0.000 0.332 319 Y C -0.022 175.945 175.900 0.111 0.000 1.177 319 Y CA 0.002 58.198 58.100 0.160 0.000 1.422 319 Y CB 0.491 39.091 38.460 0.233 0.000 1.271 319 Y HN 0.532 nan 8.280 nan 0.000 0.550 320 D N 8.690 128.851 120.400 -0.399 0.000 2.408 320 D HA 0.242 4.898 4.640 0.027 0.000 0.261 320 D C -2.146 173.726 176.300 -0.714 0.000 1.190 320 D CA -2.253 51.503 54.000 -0.406 0.000 0.910 320 D CB 1.620 42.324 40.800 -0.161 0.000 1.097 320 D HN 0.333 nan 8.370 nan 0.000 0.522 321 P HA -0.251 nan 4.420 nan 0.000 0.219 321 P C 1.509 178.639 177.300 -0.283 0.000 1.151 321 P CA 1.531 64.228 63.100 -0.671 0.000 0.850 321 P CB 0.198 31.710 31.700 -0.313 0.000 0.784 322 S N -1.842 113.729 115.700 -0.215 0.000 2.419 322 S HA -0.101 4.385 4.470 0.027 0.000 0.233 322 S C 0.832 175.374 174.600 -0.097 0.000 1.016 322 S CA 0.772 58.903 58.200 -0.114 0.000 0.974 322 S CB -0.720 62.428 63.200 -0.086 0.000 0.786 322 S HN 0.152 nan 8.310 nan 0.000 0.492 323 K N 2.577 122.897 120.400 -0.132 0.000 2.156 323 K HA 0.302 4.638 4.320 0.027 0.000 0.271 323 K C -0.681 175.879 176.600 -0.067 0.000 0.995 323 K CA -0.628 55.607 56.287 -0.087 0.000 0.890 323 K CB 0.741 33.195 32.500 -0.077 0.000 1.073 323 K HN 0.397 nan 8.250 nan 0.000 0.454 324 D N 1.801 122.166 120.400 -0.058 0.000 2.369 324 D HA 0.108 4.764 4.640 0.027 0.000 0.241 324 D C -0.204 176.020 176.300 -0.126 0.000 1.271 324 D CA -0.215 53.744 54.000 -0.069 0.000 0.942 324 D CB 0.512 41.271 40.800 -0.069 0.000 1.129 324 D HN 0.232 nan 8.370 nan 0.000 0.476 325 L N -0.359 120.748 121.223 -0.193 0.000 2.329 325 L HA 0.413 4.770 4.340 0.027 0.000 0.279 325 L C -0.654 175.980 176.870 -0.394 0.000 1.014 325 L CA -1.088 53.552 54.840 -0.333 0.000 0.814 325 L CB 1.412 43.214 42.059 -0.429 0.000 1.257 325 L HN 0.250 nan 8.230 nan 0.000 0.424 326 I N 2.686 122.938 120.570 -0.530 0.000 2.447 326 I HA 0.529 4.715 4.170 0.027 0.000 0.287 326 I C -0.003 175.688 176.117 -0.710 0.000 1.023 326 I CA -0.612 60.302 61.300 -0.643 0.000 1.083 326 I CB 1.563 39.084 38.000 -0.798 0.000 1.245 326 I HN 0.559 nan 8.210 nan 0.000 0.434 327 A N 5.627 128.158 122.820 -0.482 0.000 2.318 327 A HA 0.719 5.056 4.320 0.027 0.000 0.324 327 A C -0.371 177.232 177.584 0.031 0.000 1.170 327 A CA -0.522 51.392 52.037 -0.206 0.000 0.810 327 A CB 1.419 20.280 19.000 -0.232 0.000 1.198 327 A HN 0.760 nan 8.150 nan 0.000 0.484 328 E N 2.292 122.585 120.200 0.155 0.000 2.248 328 E HA 0.683 5.049 4.350 0.027 0.000 0.267 328 E C -1.472 175.285 176.600 0.262 0.000 0.877 328 E CA -0.512 56.019 56.400 0.218 0.000 0.759 328 E CB 1.349 31.197 29.700 0.247 0.000 1.182 328 E HN 0.635 nan 8.360 nan 0.000 0.418 329 I N 2.728 123.440 120.570 0.235 0.000 2.569 329 I HA 0.352 4.538 4.170 0.027 0.000 0.296 329 I C -0.825 175.435 176.117 0.238 0.000 1.028 329 I CA -0.971 60.490 61.300 0.269 0.000 1.082 329 I CB 2.052 40.197 38.000 0.242 0.000 1.264 329 I HN 0.456 nan 8.210 nan 0.000 0.429 330 Q N 3.606 123.550 119.800 0.240 0.000 2.394 330 Q HA 0.448 4.804 4.340 0.027 0.000 0.273 330 Q C -0.948 175.085 176.000 0.054 0.000 1.089 330 Q CA -0.880 55.003 55.803 0.134 0.000 0.812 330 Q CB 2.658 31.431 28.738 0.060 0.000 1.353 330 Q HN 0.359 nan 8.270 nan 0.000 0.438 331 K N 1.644 121.961 120.400 -0.139 0.000 2.248 331 K HA 0.195 4.532 4.320 0.027 0.000 0.281 331 K C 0.056 176.454 176.600 -0.337 0.000 1.054 331 K CA 0.117 56.074 56.287 -0.549 0.000 0.903 331 K CB 0.678 32.790 32.500 -0.647 0.000 1.077 331 K HN 0.654 nan 8.250 nan 0.000 0.474 332 Q N 1.988 121.583 119.800 -0.342 0.000 2.141 332 Q HA 0.117 4.474 4.340 0.027 0.000 0.194 332 Q C 0.767 176.651 176.000 -0.192 0.000 0.975 332 Q CA 0.817 56.504 55.803 -0.193 0.000 0.834 332 Q CB 0.442 29.104 28.738 -0.127 0.000 0.916 332 Q HN 0.804 nan 8.270 nan 0.000 0.484 333 G N -0.212 108.451 108.800 -0.228 0.000 3.175 333 G HA2 0.256 4.232 3.960 0.027 0.000 0.255 333 G HA3 0.256 4.232 3.960 0.027 0.000 0.255 333 G C -1.336 173.432 174.900 -0.220 0.000 1.352 333 G CA -0.512 44.486 45.100 -0.170 0.000 1.037 333 G HN 0.087 nan 8.290 nan 0.000 0.556 334 Q N -0.094 119.625 119.800 -0.136 0.000 2.296 334 Q HA 0.417 4.774 4.340 0.027 0.000 0.263 334 Q C 1.024 176.980 176.000 -0.074 0.000 1.026 334 Q CA 0.781 56.519 55.803 -0.109 0.000 0.912 334 Q CB 0.334 29.030 28.738 -0.070 0.000 1.198 334 Q HN 1.339 nan 8.270 nan 0.000 0.407 335 G N 3.615 112.389 108.800 -0.044 0.000 2.198 335 G HA2 -0.315 3.661 3.960 0.027 0.000 0.260 335 G HA3 -0.315 3.661 3.960 0.027 0.000 0.260 335 G C -0.154 174.812 174.900 0.110 0.000 1.025 335 G CA 0.452 45.654 45.100 0.170 0.000 0.769 335 G HN 0.611 nan 8.290 nan 0.000 0.507 336 Q N -0.795 118.871 119.800 -0.223 0.000 2.339 336 Q HA 0.538 4.895 4.340 0.027 0.000 0.268 336 Q C -1.002 174.783 176.000 -0.357 0.000 1.027 336 Q CA -0.883 54.846 55.803 -0.123 0.000 0.759 336 Q CB 0.995 29.665 28.738 -0.114 0.000 1.244 336 Q HN 0.341 nan 8.270 nan 0.000 0.464 337 W N 1.625 122.982 121.300 0.096 0.000 2.666 337 W HA 0.500 5.180 4.660 0.032 0.000 0.334 337 W C -0.094 176.495 176.519 0.118 0.000 1.051 337 W CA -0.570 56.844 57.345 0.115 0.000 1.224 337 W CB 1.881 31.436 29.460 0.158 0.000 1.405 337 W HN 0.408 nan 8.180 nan 0.000 0.513 338 T N -0.004 114.720 114.554 0.284 0.000 2.863 338 T HA 0.797 5.164 4.350 0.027 0.000 0.285 338 T C -1.235 173.613 174.700 0.248 0.000 1.009 338 T CA -0.722 61.467 62.100 0.148 0.000 0.989 338 T CB 1.575 70.454 68.868 0.018 0.000 1.004 338 T HN 0.478 nan 8.240 nan 0.000 0.455 339 Y N -0.027 120.323 120.300 0.083 0.000 2.597 339 Y HA 0.762 5.327 4.550 0.025 0.000 0.340 339 Y C -1.304 174.645 175.900 0.082 0.000 1.097 339 Y CA -1.289 56.877 58.100 0.110 0.000 1.037 339 Y CB 1.701 40.250 38.460 0.148 0.000 1.305 339 Y HN 0.819 nan 8.280 nan 0.000 0.463 340 Q N 3.211 123.133 119.800 0.203 0.000 2.345 340 Q HA 0.605 4.962 4.340 0.027 0.000 0.275 340 Q C -1.714 174.435 176.000 0.248 0.000 1.063 340 Q CA -0.857 55.034 55.803 0.148 0.000 0.819 340 Q CB 3.112 31.924 28.738 0.125 0.000 1.356 340 Q HN 0.926 nan 8.270 nan 0.000 0.418 341 I N 2.728 123.427 120.570 0.216 0.000 2.410 341 I HA 0.464 4.650 4.170 0.027 0.000 0.286 341 I C -1.083 175.051 176.117 0.029 0.000 1.009 341 I CA -1.052 60.267 61.300 0.031 0.000 1.111 341 I CB 0.799 38.867 38.000 0.115 0.000 1.262 341 I HN 0.626 nan 8.210 nan 0.000 0.443 342 Y N 2.975 123.248 120.300 -0.045 0.000 2.576 342 Y HA 0.552 5.117 4.550 0.026 0.000 0.346 342 Y C 0.248 176.099 175.900 -0.081 0.000 1.018 342 Y CA -1.023 57.050 58.100 -0.044 0.000 1.050 342 Y CB 1.211 39.646 38.460 -0.042 0.000 1.280 342 Y HN 0.408 nan 8.280 nan 0.000 0.474 343 Q N 0.173 120.059 119.800 0.143 0.000 2.402 343 Q HA 0.242 4.598 4.340 0.027 0.000 0.231 343 Q C -0.695 175.406 176.000 0.168 0.000 0.888 343 Q CA 0.474 56.310 55.803 0.055 0.000 0.938 343 Q CB 0.908 29.652 28.738 0.011 0.000 1.086 343 Q HN 0.797 nan 8.270 nan 0.000 0.543 344 E N 1.462 121.805 120.200 0.237 0.000 2.260 344 E HA 0.233 4.599 4.350 0.027 0.000 0.266 344 E C -2.644 174.022 176.600 0.110 0.000 0.887 344 E CA -2.452 54.049 56.400 0.168 0.000 0.777 344 E CB 2.055 31.809 29.700 0.091 0.000 1.205 344 E HN -0.070 nan 8.360 nan 0.000 0.414 345 P HA -0.176 nan 4.420 nan 0.000 0.262 345 P C -0.129 177.192 177.300 0.035 0.000 1.151 345 P CA 0.916 63.815 63.100 -0.334 0.000 0.757 345 P CB 0.180 31.878 31.700 -0.004 0.000 0.754 346 F N -0.863 118.851 119.950 -0.393 0.000 2.691 346 F HA -0.231 4.311 4.527 0.024 0.000 0.487 346 F C 1.104 176.825 175.800 -0.132 0.000 0.547 346 F CA 1.371 59.248 58.000 -0.206 0.000 0.988 346 F CB -1.577 37.338 39.000 -0.141 0.000 1.675 346 F HN 0.319 nan 8.300 nan 0.000 0.269 347 K N 2.434 122.862 120.400 0.048 0.000 2.222 347 K HA 0.262 4.598 4.320 0.027 0.000 0.243 347 K C -0.108 176.531 176.600 0.065 0.000 1.160 347 K CA -0.188 56.113 56.287 0.023 0.000 1.090 347 K CB -0.135 32.391 32.500 0.043 0.000 1.694 347 K HN 0.143 nan 8.250 nan 0.000 0.361 348 N N 1.467 120.198 118.700 0.052 0.000 2.479 348 N HA 0.089 4.846 4.740 0.027 0.000 0.257 348 N C 1.284 176.981 175.510 0.310 0.000 1.232 348 N CA -0.017 53.142 53.050 0.182 0.000 0.920 348 N CB 0.887 39.477 38.487 0.172 0.000 1.105 348 N HN 0.257 nan 8.380 nan 0.000 0.444 349 L N 0.113 121.544 121.223 0.348 0.000 2.445 349 L HA 0.286 4.642 4.340 0.027 0.000 0.207 349 L C 0.831 177.927 176.870 0.377 0.000 1.053 349 L CA 0.503 55.598 54.840 0.425 0.000 0.841 349 L CB 0.161 42.398 42.059 0.296 0.000 1.074 349 L HN 0.501 nan 8.230 nan 0.000 0.479 350 K N -0.162 120.433 120.400 0.325 0.000 2.579 350 K HA 0.405 4.741 4.320 0.027 0.000 0.284 350 K C -1.624 175.052 176.600 0.128 0.000 0.990 350 K CA -0.376 56.047 56.287 0.227 0.000 0.880 350 K CB 2.396 35.109 32.500 0.356 0.000 1.488 350 K HN -0.020 nan 8.250 nan 0.000 0.425 351 T N -0.958 113.555 114.554 -0.068 0.000 3.097 351 T HA 0.700 5.066 4.350 0.027 0.000 0.332 351 T C -0.405 173.912 174.700 -0.639 0.000 1.269 351 T CA -0.652 61.221 62.100 -0.379 0.000 1.076 351 T CB 1.638 70.366 68.868 -0.235 0.000 1.209 351 T HN 0.718 nan 8.240 nan 0.000 0.474 352 G N 0.763 108.728 108.800 -1.390 0.000 2.866 352 G HA2 0.784 4.760 3.960 0.027 0.000 0.289 352 G HA3 0.784 4.760 3.960 0.027 0.000 0.289 352 G C -1.879 172.559 174.900 -0.770 0.000 1.396 352 G CA -1.027 43.500 45.100 -0.955 0.000 0.848 352 G HN 0.817 nan 8.290 nan 0.000 0.515 353 K N -0.572 119.546 120.400 -0.469 0.000 2.542 353 K HA 0.523 4.859 4.320 0.027 0.000 0.259 353 K C -2.055 174.374 176.600 -0.285 0.000 0.932 353 K CA -0.715 55.428 56.287 -0.240 0.000 0.820 353 K CB 2.250 34.657 32.500 -0.155 0.000 1.345 353 K HN 0.569 nan 8.250 nan 0.000 0.432 354 Y N 0.127 120.550 120.300 0.205 0.000 2.462 354 Y HA 0.609 5.174 4.550 0.025 0.000 0.346 354 Y C -0.389 175.622 175.900 0.184 0.000 0.976 354 Y CA -1.116 57.089 58.100 0.174 0.000 1.044 354 Y CB 2.661 41.222 38.460 0.167 0.000 1.230 354 Y HN 0.638 nan 8.280 nan 0.000 0.455 355 A N 3.378 126.379 122.820 0.303 0.000 2.466 355 A HA 0.599 4.935 4.320 0.027 0.000 0.291 355 A C -0.963 176.720 177.584 0.164 0.000 1.234 355 A CA -0.876 51.280 52.037 0.199 0.000 0.752 355 A CB 0.314 19.383 19.000 0.115 0.000 1.153 355 A HN 0.869 nan 8.150 nan 0.000 0.458 356 R N 3.507 124.113 120.500 0.175 0.000 2.235 356 R HA 0.345 4.702 4.340 0.027 0.000 0.338 356 R C 0.488 176.834 176.300 0.077 0.000 1.087 356 R CA -0.329 55.834 56.100 0.104 0.000 0.948 356 R CB 0.571 30.923 30.300 0.087 0.000 1.099 356 R HN 0.891 nan 8.270 nan 0.000 0.483 357 M N 0.827 120.458 119.600 0.051 0.000 2.214 357 M HA -0.071 4.425 4.480 0.027 0.000 0.306 357 M C 0.852 177.164 176.300 0.021 0.000 0.998 357 M CA 0.656 55.974 55.300 0.031 0.000 1.071 357 M CB 0.263 32.874 32.600 0.019 0.000 1.466 357 M HN 0.480 nan 8.290 nan 0.000 0.433 358 R N 1.455 121.959 120.500 0.007 0.000 2.228 358 R HA -0.176 4.181 4.340 0.027 0.000 0.259 358 R C 1.593 177.881 176.300 -0.019 0.000 1.183 358 R CA 1.599 57.694 56.100 -0.007 0.000 1.002 358 R CB -1.330 28.957 30.300 -0.022 0.000 0.879 358 R HN 1.102 nan 8.270 nan 0.000 0.467 359 G N -0.621 108.168 108.800 -0.019 0.000 2.620 359 G HA2 -0.420 3.556 3.960 0.027 0.000 0.315 359 G HA3 -0.420 3.556 3.960 0.027 0.000 0.315 359 G C 0.584 175.432 174.900 -0.087 0.000 1.179 359 G CA 0.900 45.982 45.100 -0.030 0.000 0.971 359 G HN 0.572 nan 8.290 nan 0.000 0.544 360 A N -1.346 121.388 122.820 -0.144 0.000 1.936 360 A HA 0.683 5.019 4.320 0.027 0.000 0.197 360 A C 0.276 177.570 177.584 -0.482 0.000 2.189 360 A CA 1.188 52.974 52.037 -0.419 0.000 1.491 360 A CB 0.112 18.817 19.000 -0.492 0.000 1.021 360 A HN 1.571 nan 8.150 nan 0.000 0.537 361 H N -0.477 118.625 119.070 0.054 0.000 2.991 361 H HA 0.684 5.256 4.556 0.026 0.000 0.304 361 H C -0.503 174.877 175.328 0.086 0.000 1.040 361 H CA 0.055 56.140 56.048 0.062 0.000 1.410 361 H CB 0.997 30.793 29.762 0.055 0.000 1.529 361 H HN 0.383 nan 8.280 nan 0.000 0.509 362 T N 1.653 116.303 114.554 0.160 0.000 2.773 362 T HA 0.488 4.854 4.350 0.027 0.000 0.278 362 T C -0.858 173.904 174.700 0.103 0.000 1.011 362 T CA -0.876 61.305 62.100 0.134 0.000 1.014 362 T CB 1.216 70.133 68.868 0.082 0.000 1.293 362 T HN 0.814 nan 8.240 nan 0.000 0.554 363 N N 0.293 119.023 118.700 0.050 0.000 2.525 363 N HA 0.288 5.044 4.740 0.027 0.000 0.270 363 N C -0.127 175.369 175.510 -0.024 0.000 1.321 363 N CA -0.462 52.600 53.050 0.021 0.000 0.797 363 N CB 1.350 39.830 38.487 -0.011 0.000 1.529 363 N HN 0.418 nan 8.380 nan 0.000 0.491 364 D N 0.582 121.014 120.400 0.052 0.000 2.116 364 D HA -0.099 4.558 4.640 0.027 0.000 0.193 364 D C 1.763 178.019 176.300 -0.073 0.000 0.998 364 D CA 1.250 55.336 54.000 0.143 0.000 0.836 364 D CB -0.055 40.896 40.800 0.251 0.000 0.951 364 D HN 0.359 nan 8.370 nan 0.000 0.449 365 V N 0.875 120.587 119.914 -0.337 0.000 2.261 365 V HA -0.286 3.850 4.120 0.027 0.000 0.246 365 V C 2.406 178.061 176.094 -0.733 0.000 1.047 365 V CA 1.911 63.840 62.300 -0.617 0.000 1.015 365 V CB -0.483 30.697 31.823 -1.073 0.000 0.642 365 V HN 0.135 nan 8.190 nan 0.000 0.446 366 K N 0.326 120.233 120.400 -0.822 0.000 2.015 366 K HA -0.273 4.063 4.320 0.027 0.000 0.216 366 K C 2.176 178.546 176.600 -0.383 0.000 1.052 366 K CA 2.111 58.087 56.287 -0.519 0.000 0.937 366 K CB -0.617 31.725 32.500 -0.265 0.000 0.719 366 K HN 0.506 nan 8.250 nan 0.000 0.446 367 Q N 0.149 119.758 119.800 -0.319 0.000 2.062 367 Q HA -0.235 4.122 4.340 0.027 0.000 0.209 367 Q C 2.172 177.703 176.000 -0.782 0.000 0.996 367 Q CA 2.056 57.630 55.803 -0.381 0.000 0.859 367 Q CB -0.464 28.214 28.738 -0.100 0.000 0.920 367 Q HN 0.467 nan 8.270 nan 0.000 0.415 368 L N 0.458 121.111 121.223 -0.949 0.000 1.978 368 L HA -0.277 4.080 4.340 0.027 0.000 0.218 368 L C 2.304 178.675 176.870 -0.831 0.000 1.075 368 L CA 1.947 56.087 54.840 -1.165 0.000 0.767 368 L CB -0.724 40.880 42.059 -0.759 0.000 0.890 368 L HN 0.340 nan 8.230 nan 0.000 0.434 369 T N -0.260 113.916 114.554 -0.630 0.000 2.624 369 T HA -0.285 4.081 4.350 0.027 0.000 0.268 369 T C 1.606 176.022 174.700 -0.474 0.000 1.041 369 T CA 2.055 63.853 62.100 -0.503 0.000 1.159 369 T CB -0.306 68.409 68.868 -0.254 0.000 0.863 369 T HN 0.475 nan 8.240 nan 0.000 0.434 370 E N 0.643 120.580 120.200 -0.438 0.000 2.118 370 E HA -0.114 4.253 4.350 0.027 0.000 0.195 370 E C 2.504 178.798 176.600 -0.510 0.000 0.992 370 E CA 0.972 57.133 56.400 -0.398 0.000 0.804 370 E CB -0.208 29.286 29.700 -0.343 0.000 0.741 370 E HN 0.523 nan 8.360 nan 0.000 0.458 371 A N 0.934 123.368 122.820 -0.644 0.000 1.841 371 A HA -0.130 4.207 4.320 0.027 0.000 0.214 371 A C 2.531 179.784 177.584 -0.552 0.000 1.195 371 A CA 1.109 52.765 52.037 -0.636 0.000 0.611 371 A CB -0.810 17.800 19.000 -0.651 0.000 0.835 371 A HN 0.107 nan 8.150 nan 0.000 0.443 372 V N 0.695 120.210 119.914 -0.665 0.000 2.278 372 V HA -0.363 3.773 4.120 0.027 0.000 0.251 372 V C 2.833 178.609 176.094 -0.529 0.000 1.062 372 V CA 2.512 64.305 62.300 -0.845 0.000 1.038 372 V CB -0.840 30.325 31.823 -1.098 0.000 0.646 372 V HN 0.728 nan 8.190 nan 0.000 0.447 373 Q N 0.427 119.966 119.800 -0.434 0.000 1.975 373 Q HA -0.274 4.082 4.340 0.027 0.000 0.205 373 Q C 2.386 178.251 176.000 -0.225 0.000 0.990 373 Q CA 2.238 57.878 55.803 -0.271 0.000 0.845 373 Q CB -0.315 28.281 28.738 -0.237 0.000 0.913 373 Q HN 0.614 nan 8.270 nan 0.000 0.420 374 K N 0.015 120.230 120.400 -0.309 0.000 2.034 374 K HA -0.181 4.155 4.320 0.027 0.000 0.214 374 K C 2.350 178.845 176.600 -0.175 0.000 1.051 374 K CA 1.863 57.974 56.287 -0.294 0.000 0.931 374 K CB -0.339 31.813 32.500 -0.579 0.000 0.715 374 K HN 0.296 nan 8.250 nan 0.000 0.446 375 I N 0.625 121.082 120.570 -0.188 0.000 2.179 375 I HA -0.306 3.880 4.170 0.027 0.000 0.242 375 I C 2.293 178.434 176.117 0.039 0.000 1.088 375 I CA 1.371 62.607 61.300 -0.107 0.000 1.357 375 I CB -0.580 37.364 38.000 -0.094 0.000 1.051 375 I HN 0.253 nan 8.210 nan 0.000 0.409 376 T N 0.346 114.967 114.554 0.112 0.000 2.592 376 T HA -0.271 4.095 4.350 0.027 0.000 0.267 376 T C 1.867 176.598 174.700 0.053 0.000 1.060 376 T CA 2.464 64.656 62.100 0.153 0.000 1.167 376 T CB -0.602 68.326 68.868 0.100 0.000 0.863 376 T HN 0.404 nan 8.240 nan 0.000 0.431 377 T N 1.785 116.336 114.554 -0.005 0.000 2.607 377 T HA -0.160 4.206 4.350 0.027 0.000 0.267 377 T C 1.900 176.571 174.700 -0.047 0.000 1.049 377 T CA 1.635 63.719 62.100 -0.026 0.000 1.162 377 T CB -0.491 68.348 68.868 -0.049 0.000 0.863 377 T HN 0.523 nan 8.240 nan 0.000 0.424 378 E N 0.663 120.825 120.200 -0.063 0.000 2.086 378 E HA -0.190 4.177 4.350 0.027 0.000 0.205 378 E C 2.605 179.093 176.600 -0.186 0.000 1.027 378 E CA 1.647 57.975 56.400 -0.121 0.000 0.830 378 E CB -0.235 29.405 29.700 -0.099 0.000 0.751 378 E HN 0.372 nan 8.360 nan 0.000 0.456 379 S N 0.612 116.274 115.700 -0.063 0.000 2.359 379 S HA -0.208 4.278 4.470 0.027 0.000 0.223 379 S C 1.991 176.592 174.600 0.002 0.000 1.039 379 S CA 1.262 59.497 58.200 0.058 0.000 1.042 379 S CB -0.270 63.081 63.200 0.251 0.000 0.915 379 S HN 0.145 nan 8.310 nan 0.000 0.439 380 I N 1.232 121.805 120.570 0.005 0.000 2.335 380 I HA -0.115 4.071 4.170 0.027 0.000 0.251 380 I C 2.035 178.119 176.117 -0.055 0.000 1.129 380 I CA 0.837 62.138 61.300 0.002 0.000 1.402 380 I CB -0.491 37.515 38.000 0.010 0.000 1.069 380 I HN 0.115 nan 8.210 nan 0.000 0.424 381 V N 0.031 119.878 119.914 -0.112 0.000 2.591 381 V HA -0.152 3.985 4.120 0.027 0.000 0.249 381 V C 2.086 178.048 176.094 -0.220 0.000 1.053 381 V CA 1.578 63.797 62.300 -0.136 0.000 1.068 381 V CB -0.320 31.422 31.823 -0.134 0.000 0.689 381 V HN 0.327 nan 8.190 nan 0.000 0.462 382 I N -2.005 118.315 120.570 -0.418 0.000 2.810 382 I HA -0.013 4.174 4.170 0.027 0.000 0.262 382 I C 1.841 177.555 176.117 -0.671 0.000 1.131 382 I CA 0.944 61.829 61.300 -0.691 0.000 1.453 382 I CB -0.049 37.162 38.000 -1.316 0.000 1.161 382 I HN 0.341 nan 8.210 nan 0.000 0.444 383 W N 0.552 121.732 121.300 -0.200 0.000 2.870 383 W HA 0.420 5.096 4.660 0.027 0.000 0.358 383 W C 1.459 177.894 176.519 -0.140 0.000 1.043 383 W CA 0.445 57.593 57.345 -0.330 0.000 1.692 383 W CB -0.214 28.852 29.460 -0.657 0.000 1.100 383 W HN 0.320 nan 8.180 nan 0.000 0.557 384 G N 1.773 110.624 108.800 0.085 0.000 2.189 384 G HA2 -0.311 3.666 3.960 0.027 0.000 0.267 384 G HA3 -0.311 3.666 3.960 0.027 0.000 0.267 384 G C 0.325 175.284 174.900 0.097 0.000 0.975 384 G CA 0.836 45.984 45.100 0.081 0.000 0.644 384 G HN 0.276 nan 8.290 nan 0.000 0.537 385 K N -0.345 120.132 120.400 0.128 0.000 2.433 385 K HA 0.682 5.018 4.320 0.027 0.000 0.252 385 K C -0.255 176.395 176.600 0.083 0.000 1.015 385 K CA -0.254 56.089 56.287 0.094 0.000 0.860 385 K CB 1.761 34.312 32.500 0.085 0.000 1.359 385 K HN 0.312 nan 8.250 nan 0.000 0.452 386 T N -0.633 113.942 114.554 0.035 0.000 2.794 386 T HA 0.466 4.832 4.350 0.027 0.000 0.280 386 T C -2.542 172.074 174.700 -0.140 0.000 0.987 386 T CA -2.024 60.072 62.100 -0.006 0.000 0.993 386 T CB 1.094 69.990 68.868 0.046 0.000 0.939 386 T HN 0.146 nan 8.240 nan 0.000 0.449 387 P HA 0.246 nan 4.420 nan 0.000 0.272 387 P C -0.385 176.521 177.300 -0.658 0.000 1.230 387 P CA -0.684 62.106 63.100 -0.517 0.000 0.788 387 P CB 0.509 31.811 31.700 -0.662 0.000 0.949 388 K N 1.989 122.120 120.400 -0.448 0.000 2.218 388 K HA 0.283 4.619 4.320 0.027 0.000 0.276 388 K C -0.881 175.491 176.600 -0.380 0.000 1.022 388 K CA -0.273 55.840 56.287 -0.290 0.000 0.946 388 K CB 0.140 32.550 32.500 -0.151 0.000 1.000 388 K HN 0.288 nan 8.250 nan 0.000 0.468 389 F N 2.537 122.479 119.950 -0.013 0.000 2.422 389 F HA 0.337 4.879 4.527 0.025 0.000 0.333 389 F C 0.453 176.312 175.800 0.098 0.000 1.095 389 F CA -0.614 57.391 58.000 0.008 0.000 1.038 389 F CB 1.541 40.523 39.000 -0.029 0.000 1.156 389 F HN 0.210 nan 8.300 nan 0.000 0.483 390 K N 4.795 125.367 120.400 0.286 0.000 2.464 390 K HA 0.508 4.845 4.320 0.027 0.000 0.252 390 K C -1.314 175.427 176.600 0.235 0.000 1.000 390 K CA -0.336 56.094 56.287 0.238 0.000 0.951 390 K CB 1.167 33.756 32.500 0.148 0.000 1.183 390 K HN 0.518 nan 8.250 nan 0.000 0.445 391 L N 4.542 125.942 121.223 0.296 0.000 2.329 391 L HA 0.416 4.773 4.340 0.027 0.000 0.279 391 L C -1.858 175.179 176.870 0.278 0.000 1.014 391 L CA -2.183 52.746 54.840 0.149 0.000 0.814 391 L CB 1.761 43.685 42.059 -0.225 0.000 1.257 391 L HN 0.369 nan 8.230 nan 0.000 0.424 392 P HA 0.128 nan 4.420 nan 0.000 0.228 392 P C -0.548 176.935 177.300 0.303 0.000 1.748 392 P CA 0.500 63.788 63.100 0.313 0.000 0.909 392 P CB 0.097 31.916 31.700 0.198 0.000 1.882 393 I N -0.594 120.175 120.570 0.332 0.000 2.644 393 I HA 0.211 4.398 4.170 0.027 0.000 0.291 393 I C -0.531 175.579 176.117 -0.013 0.000 1.180 393 I CA -0.895 60.442 61.300 0.061 0.000 1.040 393 I CB 2.487 40.423 38.000 -0.108 0.000 1.255 393 I HN -0.185 nan 8.210 nan 0.000 0.422 394 Q N 6.262 125.879 119.800 -0.305 0.000 2.311 394 Q HA 0.102 4.459 4.340 0.027 0.000 0.272 394 Q C 0.662 176.717 176.000 0.092 0.000 1.012 394 Q CA -0.171 55.379 55.803 -0.422 0.000 0.891 394 Q CB 1.238 29.744 28.738 -0.386 0.000 1.201 394 Q HN 0.567 nan 8.270 nan 0.000 0.391 395 K N 2.709 123.222 120.400 0.188 0.000 2.089 395 K HA -0.226 4.111 4.320 0.027 0.000 0.210 395 K C 1.572 178.353 176.600 0.301 0.000 1.048 395 K CA 1.662 58.170 56.287 0.369 0.000 0.926 395 K CB 0.137 32.726 32.500 0.148 0.000 0.714 395 K HN 0.512 nan 8.250 nan 0.000 0.448 396 E N -0.043 120.234 120.200 0.128 0.000 2.085 396 E HA -0.122 4.244 4.350 0.027 0.000 0.194 396 E C 2.064 178.718 176.600 0.089 0.000 0.994 396 E CA 1.671 58.120 56.400 0.081 0.000 0.801 396 E CB -0.493 29.216 29.700 0.015 0.000 0.743 396 E HN 0.299 nan 8.360 nan 0.000 0.453 397 T N 0.487 115.094 114.554 0.089 0.000 2.614 397 T HA -0.197 4.170 4.350 0.027 0.000 0.263 397 T C 1.408 176.223 174.700 0.191 0.000 1.055 397 T CA 1.294 63.443 62.100 0.083 0.000 1.162 397 T CB -0.699 68.188 68.868 0.031 0.000 0.863 397 T HN 0.438 nan 8.240 nan 0.000 0.414 398 W N 2.405 123.790 121.300 0.142 0.000 2.302 398 W HA -0.235 4.439 4.660 0.023 0.000 0.320 398 W C 2.049 178.807 176.519 0.397 0.000 1.241 398 W CA 1.640 59.143 57.345 0.263 0.000 1.264 398 W CB -0.256 29.397 29.460 0.322 0.000 1.154 398 W HN 0.272 nan 8.180 nan 0.000 0.483 399 E N -0.043 120.250 120.200 0.155 0.000 2.033 399 E HA -0.233 4.133 4.350 0.027 0.000 0.199 399 E C 1.987 178.349 176.600 -0.396 0.000 1.011 399 E CA 2.753 59.081 56.400 -0.120 0.000 0.815 399 E CB -1.005 28.722 29.700 0.045 0.000 0.755 399 E HN 0.249 nan 8.360 nan 0.000 0.451 400 T N 0.322 114.769 114.554 -0.178 0.000 2.721 400 T HA -0.215 4.151 4.350 0.027 0.000 0.268 400 T C 1.359 175.938 174.700 -0.202 0.000 1.038 400 T CA 1.703 63.697 62.100 -0.177 0.000 1.145 400 T CB -0.406 68.425 68.868 -0.062 0.000 0.858 400 T HN 0.363 nan 8.240 nan 0.000 0.459 401 W N 1.431 122.532 121.300 -0.333 0.000 2.444 401 W HA 0.028 4.708 4.660 0.032 0.000 0.308 401 W C 2.317 178.622 176.519 -0.356 0.000 1.183 401 W CA 0.750 57.909 57.345 -0.311 0.000 1.340 401 W CB -0.574 28.724 29.460 -0.269 0.000 1.138 401 W HN 0.458 nan 8.180 nan 0.000 0.510 402 W N 1.472 122.280 121.300 -0.819 0.000 2.388 402 W HA -0.138 4.537 4.660 0.024 0.000 0.294 402 W C 1.731 177.903 176.519 -0.577 0.000 1.212 402 W CA 2.144 58.906 57.345 -0.972 0.000 1.271 402 W CB -1.511 27.288 29.460 -1.102 0.000 1.126 402 W HN 0.028 nan 8.180 nan 0.000 0.535 403 T N -0.995 112.706 114.554 -1.422 0.000 2.962 403 T HA -0.138 4.229 4.350 0.027 0.000 0.270 403 T C 1.292 175.625 174.700 -0.612 0.000 1.088 403 T CA 1.615 62.903 62.100 -1.354 0.000 1.127 403 T CB -0.399 67.712 68.868 -1.261 0.000 0.883 403 T HN 0.350 nan 8.240 nan 0.000 0.493 404 E N -0.835 119.057 120.200 -0.514 0.000 2.489 404 E HA 0.198 4.564 4.350 0.027 0.000 0.204 404 E C -0.473 175.962 176.600 -0.275 0.000 1.006 404 E CA -0.509 55.695 56.400 -0.327 0.000 0.936 404 E CB 0.309 29.856 29.700 -0.254 0.000 1.002 404 E HN 0.524 nan 8.360 nan 0.000 0.488 405 Y N 1.587 121.513 120.300 -0.625 0.000 2.336 405 Y HA -0.090 4.478 4.550 0.030 0.000 0.331 405 Y C 1.136 176.793 175.900 -0.405 0.000 1.211 405 Y CA -0.834 56.871 58.100 -0.659 0.000 1.346 405 Y CB 0.427 38.163 38.460 -1.208 0.000 1.271 405 Y HN 0.108 nan 8.280 nan 0.000 0.538 406 W N 3.479 124.357 121.300 -0.703 0.000 2.436 406 W HA -0.010 4.666 4.660 0.028 0.000 0.284 406 W C -0.145 176.120 176.519 -0.422 0.000 1.225 406 W CA 0.364 57.413 57.345 -0.494 0.000 1.271 406 W CB -0.416 28.768 29.460 -0.461 0.000 1.114 406 W HN 0.528 nan 8.180 nan 0.000 0.559 407 Q N 1.456 120.120 119.800 -1.893 0.000 2.259 407 Q HA 0.479 4.835 4.340 0.027 0.000 0.246 407 Q C -0.226 175.501 176.000 -0.456 0.000 0.920 407 Q CA -0.366 54.631 55.803 -1.344 0.000 0.895 407 Q CB 1.618 29.179 28.738 -1.961 0.000 1.220 407 Q HN 0.059 nan 8.270 nan 0.000 0.439 408 A N 2.632 125.318 122.820 -0.224 0.000 2.454 408 A HA 0.353 4.689 4.320 0.027 0.000 0.260 408 A C -0.145 177.436 177.584 -0.005 0.000 1.106 408 A CA 0.309 52.304 52.037 -0.069 0.000 0.780 408 A CB 0.529 19.506 19.000 -0.039 0.000 1.044 408 A HN 0.654 nan 8.150 nan 0.000 0.498 409 T N 3.092 117.687 114.554 0.068 0.000 2.864 409 T HA 0.695 5.061 4.350 0.027 0.000 0.299 409 T C -1.637 173.250 174.700 0.313 0.000 1.166 409 T CA -0.446 61.765 62.100 0.186 0.000 1.007 409 T CB 1.174 70.197 68.868 0.257 0.000 1.219 409 T HN 1.327 nan 8.240 nan 0.000 0.506 410 W N 4.672 126.027 121.300 0.091 0.000 3.499 410 W HA 0.500 5.179 4.660 0.031 0.000 0.288 410 W C -2.905 173.547 176.519 -0.110 0.000 1.258 410 W CA -1.019 56.343 57.345 0.028 0.000 1.203 410 W CB 0.492 29.897 29.460 -0.092 0.000 1.325 410 W HN 0.693 nan 8.180 nan 0.000 0.564 411 I N 4.981 124.849 120.570 -1.171 0.000 2.436 411 I HA 0.288 4.475 4.170 0.027 0.000 0.289 411 I C -1.973 173.108 176.117 -1.727 0.000 1.010 411 I CA -2.213 58.253 61.300 -1.390 0.000 1.098 411 I CB 2.084 39.217 38.000 -1.445 0.000 1.266 411 I HN 0.009 nan 8.210 nan 0.000 0.434 412 P HA -0.067 nan 4.420 nan 0.000 0.271 412 P C -0.169 177.018 177.300 -0.189 0.000 1.238 412 P CA -0.300 62.494 63.100 -0.509 0.000 0.794 412 P CB 0.444 32.139 31.700 -0.008 0.000 0.959 413 E N 1.965 122.161 120.200 -0.006 0.000 2.868 413 E HA -0.088 4.279 4.350 0.027 0.000 0.246 413 E C -0.723 175.936 176.600 0.099 0.000 0.962 413 E CA 0.732 57.140 56.400 0.014 0.000 0.955 413 E CB 0.007 29.726 29.700 0.032 0.000 0.903 413 E HN 0.388 nan 8.360 nan 0.000 0.524 414 W N 3.732 124.978 121.300 -0.090 0.000 3.032 414 W HA 0.605 5.277 4.660 0.021 0.000 0.341 414 W C -0.973 175.538 176.519 -0.013 0.000 1.202 414 W CA -1.065 56.259 57.345 -0.035 0.000 1.132 414 W CB 0.422 29.815 29.460 -0.112 0.000 1.465 414 W HN 0.452 nan 8.180 nan 0.000 0.576 415 E N 1.272 121.528 120.200 0.094 0.000 2.314 415 E HA 0.391 4.758 4.350 0.027 0.000 0.272 415 E C -1.998 174.786 176.600 0.306 0.000 0.884 415 E CA -0.718 55.613 56.400 -0.115 0.000 0.753 415 E CB 2.767 32.437 29.700 -0.051 0.000 1.213 415 E HN 0.244 nan 8.360 nan 0.000 0.432 416 F N 3.886 123.879 119.950 0.072 0.000 2.529 416 F HA 0.343 4.874 4.527 0.007 0.000 0.365 416 F C -0.976 174.934 175.800 0.183 0.000 1.102 416 F CA -0.327 57.865 58.000 0.319 0.000 1.271 416 F CB 1.252 40.393 39.000 0.234 0.000 1.120 416 F HN 0.223 nan 8.300 nan 0.000 0.579 417 V N 7.597 127.245 119.914 -0.444 0.000 2.409 417 V HA 0.269 4.405 4.120 0.027 0.000 0.290 417 V C -0.263 175.326 176.094 -0.842 0.000 1.017 417 V CA -0.848 61.117 62.300 -0.558 0.000 0.841 417 V CB 1.074 32.818 31.823 -0.133 0.000 1.003 417 V HN 0.834 nan 8.190 nan 0.000 0.426 418 N N 4.566 122.674 118.700 -0.988 0.000 3.059 418 N HA -0.006 4.750 4.740 0.027 0.000 0.321 418 N C 0.041 175.478 175.510 -0.122 0.000 1.224 418 N CA 0.569 53.339 53.050 -0.468 0.000 1.197 418 N CB -0.225 38.132 38.487 -0.215 0.000 1.453 418 N HN 0.737 nan 8.380 nan 0.000 0.544 419 T N 1.628 116.147 114.554 -0.059 0.000 3.042 419 T HA 0.409 4.776 4.350 0.027 0.000 0.356 419 T C -2.626 172.102 174.700 0.047 0.000 1.233 419 T CA -2.032 60.068 62.100 -0.001 0.000 1.038 419 T CB 0.419 69.283 68.868 -0.007 0.000 1.089 419 T HN 0.140 nan 8.240 nan 0.000 0.531 420 P HA 0.190 nan 4.420 nan 0.000 0.269 420 P C -2.334 174.982 177.300 0.026 0.000 1.217 420 P CA -0.888 62.243 63.100 0.051 0.000 0.783 420 P CB -0.029 31.697 31.700 0.044 0.000 0.898 421 P HA 0.173 nan 4.420 nan 0.000 0.275 421 P C -0.812 176.510 177.300 0.037 0.000 1.227 421 P CA 0.129 63.242 63.100 0.020 0.000 0.781 421 P CB 0.704 32.408 31.700 0.007 0.000 0.906 422 L N 2.441 123.693 121.223 0.049 0.000 2.379 422 L HA 0.366 4.722 4.340 0.027 0.000 0.269 422 L C 0.900 177.780 176.870 0.017 0.000 1.084 422 L CA -1.311 53.576 54.840 0.079 0.000 0.802 422 L CB 1.415 43.542 42.059 0.112 0.000 1.175 422 L HN 0.252 nan 8.230 nan 0.000 0.448 423 V N 0.613 120.554 119.914 0.045 0.000 2.546 423 V HA 0.594 4.730 4.120 0.027 0.000 0.284 423 V C -0.374 175.669 176.094 -0.084 0.000 1.050 423 V CA -0.400 61.912 62.300 0.020 0.000 0.981 423 V CB 1.001 32.887 31.823 0.105 0.000 0.990 423 V HN 0.906 nan 8.190 nan 0.000 0.474 424 K N 4.331 124.617 120.400 -0.191 0.000 2.522 424 K HA 0.694 5.030 4.320 0.027 0.000 0.275 424 K C -1.265 175.148 176.600 -0.311 0.000 1.006 424 K CA -0.951 55.176 56.287 -0.267 0.000 0.890 424 K CB 1.403 33.692 32.500 -0.353 0.000 1.475 424 K HN 0.623 nan 8.250 nan 0.000 0.441 425 L N 1.843 122.930 121.223 -0.228 0.000 2.319 425 L HA 0.292 4.648 4.340 0.027 0.000 0.280 425 L C -0.030 176.745 176.870 -0.157 0.000 1.099 425 L CA -0.398 54.350 54.840 -0.153 0.000 0.828 425 L CB 0.413 42.413 42.059 -0.097 0.000 1.150 425 L HN 0.657 nan 8.230 nan 0.000 0.442 426 W N 4.026 125.302 121.300 -0.040 0.000 3.077 426 W HA 0.069 4.748 4.660 0.031 0.000 0.245 426 W C -0.153 176.531 176.519 0.276 0.000 1.316 426 W CA -0.073 57.338 57.345 0.109 0.000 1.537 426 W CB -0.326 29.246 29.460 0.185 0.000 1.131 426 W HN 0.520 nan 8.180 nan 0.000 0.695 427 Y N -3.085 117.331 120.300 0.193 0.000 2.916 427 Y HA 0.289 4.853 4.550 0.025 0.000 0.397 427 Y C -1.435 174.533 175.900 0.113 0.000 1.135 427 Y CA -2.151 56.031 58.100 0.136 0.000 1.299 427 Y CB 0.036 38.582 38.460 0.143 0.000 1.515 427 Y HN -0.093 nan 8.280 nan 0.000 0.502 428 Q N 2.492 122.424 119.800 0.220 0.000 2.315 428 Q HA 0.606 4.962 4.340 0.027 0.000 0.273 428 Q C -1.453 174.672 176.000 0.208 0.000 1.053 428 Q CA -1.064 54.809 55.803 0.117 0.000 0.817 428 Q CB 3.336 32.108 28.738 0.057 0.000 1.326 428 Q HN 0.711 nan 8.270 nan 0.000 0.423 429 L N 2.138 123.471 121.223 0.184 0.000 2.380 429 L HA 0.175 4.532 4.340 0.027 0.000 0.273 429 L C 0.603 177.555 176.870 0.137 0.000 1.138 429 L CA -0.463 54.472 54.840 0.158 0.000 0.832 429 L CB 0.310 42.432 42.059 0.105 0.000 1.124 429 L HN 0.417 nan 8.230 nan 0.000 0.454 430 E N 2.124 122.433 120.200 0.181 0.000 2.413 430 E HA -0.055 4.312 4.350 0.027 0.000 0.263 430 E C 0.431 177.208 176.600 0.295 0.000 1.015 430 E CA 0.101 56.638 56.400 0.228 0.000 0.916 430 E CB 0.916 30.788 29.700 0.287 0.000 0.947 430 E HN 0.334 nan 8.360 nan 0.000 0.440 431 K N 1.172 121.695 120.400 0.205 0.000 2.228 431 K HA -0.070 4.267 4.320 0.027 0.000 0.202 431 K C 0.486 177.252 176.600 0.277 0.000 1.051 431 K CA 0.807 57.210 56.287 0.194 0.000 0.960 431 K CB 0.359 32.912 32.500 0.088 0.000 0.743 431 K HN 0.583 nan 8.250 nan 0.000 0.458 432 E N -0.705 119.572 120.200 0.128 0.000 2.429 432 E HA 0.347 4.713 4.350 0.027 0.000 0.276 432 E C -2.818 173.329 176.600 -0.756 0.000 0.953 432 E CA -2.598 53.659 56.400 -0.238 0.000 0.787 432 E CB 1.638 31.250 29.700 -0.147 0.000 1.307 432 E HN -0.251 nan 8.360 nan 0.000 0.458 433 P HA 0.008 nan 4.420 nan 0.000 0.265 433 P C -0.119 176.982 177.300 -0.332 0.000 1.187 433 P CA 0.313 62.841 63.100 -0.953 0.000 0.766 433 P CB 0.503 31.825 31.700 -0.631 0.000 0.820 434 I N 2.942 123.428 120.570 -0.141 0.000 2.363 434 I HA 0.028 4.214 4.170 0.027 0.000 0.292 434 I C 0.629 176.729 176.117 -0.029 0.000 1.075 434 I CA -0.614 60.665 61.300 -0.034 0.000 1.333 434 I CB 0.505 38.529 38.000 0.041 0.000 1.415 434 I HN 0.056 nan 8.210 nan 0.000 0.502 435 V N 6.358 126.252 119.914 -0.033 0.000 2.529 435 V HA 0.167 4.303 4.120 0.027 0.000 0.292 435 V C 1.163 177.257 176.094 -0.001 0.000 1.028 435 V CA 0.290 62.577 62.300 -0.022 0.000 1.074 435 V CB 0.398 32.207 31.823 -0.022 0.000 0.958 435 V HN 1.121 nan 8.190 nan 0.000 0.481 436 G N 3.596 112.399 108.800 0.004 0.000 2.353 436 G HA2 0.179 4.155 3.960 0.027 0.000 0.294 436 G HA3 0.179 4.155 3.960 0.027 0.000 0.294 436 G C -0.058 174.857 174.900 0.026 0.000 1.077 436 G CA 0.165 45.273 45.100 0.013 0.000 1.098 436 G HN 1.742 nan 8.290 nan 0.000 0.511 437 A N -0.295 122.546 122.820 0.035 0.000 2.486 437 A HA 0.821 5.158 4.320 0.027 0.000 0.300 437 A C -0.068 177.559 177.584 0.070 0.000 1.048 437 A CA -0.015 52.059 52.037 0.061 0.000 0.696 437 A CB 1.307 20.350 19.000 0.071 0.000 1.278 437 A HN 0.746 nan 8.150 nan 0.000 0.405 438 E N 0.611 120.866 120.200 0.091 0.000 2.398 438 E HA 0.357 4.724 4.350 0.027 0.000 0.263 438 E C -0.663 176.001 176.600 0.106 0.000 1.046 438 E CA 0.244 56.675 56.400 0.051 0.000 0.908 438 E CB 0.546 30.261 29.700 0.024 0.000 0.963 438 E HN 0.518 nan 8.360 nan 0.000 0.431 439 T N 4.579 119.152 114.554 0.031 0.000 2.772 439 T HA 0.333 4.699 4.350 0.027 0.000 0.288 439 T C -0.959 173.802 174.700 0.102 0.000 0.994 439 T CA -0.417 61.761 62.100 0.130 0.000 0.951 439 T CB 0.042 69.013 68.868 0.172 0.000 0.933 439 T HN 0.229 nan 8.240 nan 0.000 0.447 440 F N 2.448 122.463 119.950 0.109 0.000 2.410 440 F HA 0.389 4.933 4.527 0.028 0.000 0.349 440 F C -0.071 175.818 175.800 0.147 0.000 1.117 440 F CA -1.080 57.009 58.000 0.148 0.000 1.104 440 F CB 0.841 39.836 39.000 -0.008 0.000 1.122 440 F HN 0.532 nan 8.300 nan 0.000 0.483 441 Y N 3.493 123.917 120.300 0.207 0.000 2.907 441 Y HA 0.347 4.913 4.550 0.028 0.000 0.332 441 Y C 0.125 176.123 175.900 0.163 0.000 1.211 441 Y CA -1.199 56.978 58.100 0.129 0.000 1.387 441 Y CB 0.242 38.736 38.460 0.058 0.000 1.396 441 Y HN 0.347 nan 8.280 nan 0.000 0.519 442 V N -0.797 119.272 119.914 0.258 0.000 2.614 442 V HA 0.517 4.653 4.120 0.027 0.000 0.291 442 V C -0.253 175.921 176.094 0.133 0.000 1.049 442 V CA -0.232 62.203 62.300 0.225 0.000 1.038 442 V CB 1.680 33.601 31.823 0.163 0.000 0.980 442 V HN 0.460 nan 8.190 nan 0.000 0.481 443 D N 2.031 122.504 120.400 0.122 0.000 2.596 443 D HA 0.831 5.488 4.640 0.027 0.000 0.234 443 D C -0.298 176.040 176.300 0.064 0.000 1.181 443 D CA 0.377 54.415 54.000 0.064 0.000 0.856 443 D CB 2.291 43.113 40.800 0.037 0.000 1.498 443 D HN 1.124 nan 8.370 nan 0.000 0.446 444 G N -0.459 108.366 108.800 0.042 0.000 2.720 444 G HA2 0.833 4.809 3.960 0.027 0.000 0.295 444 G HA3 0.833 4.809 3.960 0.027 0.000 0.295 444 G C -1.734 173.184 174.900 0.031 0.000 1.437 444 G CA -0.158 44.968 45.100 0.044 0.000 0.886 444 G HN 0.736 nan 8.290 nan 0.000 0.509 445 A N -0.805 122.034 122.820 0.032 0.000 2.590 445 A HA 1.006 5.342 4.320 0.027 0.000 0.296 445 A C -0.745 176.855 177.584 0.027 0.000 1.050 445 A CA 0.211 52.267 52.037 0.032 0.000 0.697 445 A CB 1.061 20.088 19.000 0.045 0.000 1.277 445 A HN 2.549 nan 8.150 nan 0.000 0.411 446 A N 1.104 123.938 122.820 0.023 0.000 2.539 446 A HA 0.760 5.096 4.320 0.027 0.000 0.296 446 A C -0.827 176.766 177.584 0.016 0.000 1.073 446 A CA -0.653 51.395 52.037 0.017 0.000 0.700 446 A CB 1.220 20.226 19.000 0.009 0.000 1.296 446 A HN 0.959 nan 8.150 nan 0.000 0.405 447 N N 1.154 119.862 118.700 0.013 0.000 2.399 447 N HA 0.045 4.801 4.740 0.027 0.000 0.259 447 N C 1.015 176.529 175.510 0.007 0.000 1.160 447 N CA -0.225 52.832 53.050 0.011 0.000 0.946 447 N CB 0.601 39.094 38.487 0.009 0.000 1.156 447 N HN 0.611 nan 8.380 nan 0.000 0.489 448 R N 2.416 122.920 120.500 0.006 0.000 2.139 448 R HA -0.140 4.216 4.340 0.027 0.000 0.243 448 R C 0.998 177.298 176.300 0.002 0.000 1.145 448 R CA 1.310 57.411 56.100 0.002 0.000 0.976 448 R CB 0.148 30.450 30.300 0.002 0.000 0.866 448 R HN 0.683 nan 8.270 nan 0.000 0.449 449 E N -0.712 119.490 120.200 0.003 0.000 2.008 449 E HA -0.095 4.271 4.350 0.027 0.000 0.191 449 E C 1.944 178.546 176.600 0.003 0.000 0.986 449 E CA 1.910 58.311 56.400 0.003 0.000 0.807 449 E CB -0.531 29.171 29.700 0.003 0.000 0.766 449 E HN 0.440 nan 8.360 nan 0.000 0.450 450 T N -1.218 113.338 114.554 0.004 0.000 3.055 450 T HA 0.015 4.381 4.350 0.027 0.000 0.265 450 T C 0.816 175.519 174.700 0.004 0.000 1.111 450 T CA 0.590 62.692 62.100 0.004 0.000 1.118 450 T CB -0.088 68.783 68.868 0.005 0.000 0.909 450 T HN 0.142 nan 8.240 nan 0.000 0.501 451 K N 0.308 120.711 120.400 0.004 0.000 3.129 451 K HA -0.092 4.244 4.320 0.027 0.000 0.273 451 K C -0.557 176.047 176.600 0.006 0.000 1.123 451 K CA 0.064 56.353 56.287 0.004 0.000 0.800 451 K CB -1.427 31.074 32.500 0.003 0.000 1.238 451 K HN 0.354 nan 8.250 nan 0.000 0.492 452 L N 0.356 121.583 121.223 0.008 0.000 2.334 452 L HA 0.736 5.092 4.340 0.027 0.000 0.275 452 L C 0.779 177.656 176.870 0.012 0.000 1.036 452 L CA 0.371 55.217 54.840 0.009 0.000 0.807 452 L CB 1.601 43.665 42.059 0.008 0.000 1.231 452 L HN 0.327 nan 8.230 nan 0.000 0.438 453 G N 3.016 111.824 108.800 0.014 0.000 2.623 453 G HA2 0.502 4.478 3.960 0.027 0.000 0.290 453 G HA3 0.502 4.478 3.960 0.027 0.000 0.290 453 G C -1.686 173.226 174.900 0.020 0.000 1.437 453 G CA -0.554 44.557 45.100 0.018 0.000 0.798 453 G HN 0.428 nan 8.290 nan 0.000 0.488 454 K N -0.723 119.691 120.400 0.023 0.000 2.435 454 K HA 0.802 5.138 4.320 0.027 0.000 0.251 454 K C -0.900 175.721 176.600 0.034 0.000 0.954 454 K CA -0.786 55.516 56.287 0.024 0.000 0.820 454 K CB 2.757 35.267 32.500 0.016 0.000 1.292 454 K HN 0.900 nan 8.250 nan 0.000 0.436 455 A N 0.710 123.556 122.820 0.043 0.000 2.549 455 A HA 0.913 5.249 4.320 0.027 0.000 0.297 455 A C -0.808 176.822 177.584 0.075 0.000 1.061 455 A CA -0.331 51.745 52.037 0.065 0.000 0.690 455 A CB 2.117 21.164 19.000 0.079 0.000 1.287 455 A HN 0.799 nan 8.150 nan 0.000 0.402 456 G N -0.630 108.235 108.800 0.109 0.000 2.428 456 G HA2 0.705 4.682 3.960 0.027 0.000 0.304 456 G HA3 0.705 4.682 3.960 0.027 0.000 0.304 456 G C -1.372 173.663 174.900 0.226 0.000 1.303 456 G CA 0.317 45.483 45.100 0.111 0.000 0.825 456 G HN 2.139 nan 8.290 nan 0.000 0.484 457 Y N -2.868 117.499 120.300 0.111 0.000 2.725 457 Y HA 0.855 5.422 4.550 0.028 0.000 0.333 457 Y C -1.225 174.741 175.900 0.110 0.000 1.242 457 Y CA -1.314 56.884 58.100 0.164 0.000 1.059 457 Y CB 1.543 40.191 38.460 0.313 0.000 1.306 457 Y HN 1.324 nan 8.280 nan 0.000 0.454 458 V N 0.980 121.042 119.914 0.246 0.000 3.120 458 V HA 0.861 4.997 4.120 0.027 0.000 0.303 458 V C -1.159 174.991 176.094 0.093 0.000 1.238 458 V CA 0.293 62.623 62.300 0.050 0.000 1.008 458 V CB 2.129 33.923 31.823 -0.047 0.000 1.064 458 V HN 1.545 nan 8.190 nan 0.000 0.434 459 T N 1.166 115.681 114.554 -0.065 0.000 2.887 459 T HA 0.415 4.781 4.350 0.027 0.000 0.292 459 T C 0.741 175.363 174.700 -0.130 0.000 1.087 459 T CA -0.126 61.872 62.100 -0.171 0.000 1.009 459 T CB 1.575 70.118 68.868 -0.541 0.000 1.203 459 T HN 0.957 nan 8.240 nan 0.000 0.518 460 N N 0.727 119.376 118.700 -0.086 0.000 2.381 460 N HA -0.115 4.641 4.740 0.027 0.000 0.182 460 N C 1.055 176.521 175.510 -0.072 0.000 1.025 460 N CA 0.609 53.620 53.050 -0.065 0.000 0.888 460 N CB -0.452 38.034 38.487 -0.001 0.000 0.965 460 N HN 0.631 nan 8.380 nan 0.000 0.438 461 R N -0.031 120.413 120.500 -0.092 0.000 2.547 461 R HA 0.190 4.546 4.340 0.027 0.000 0.258 461 R C 0.883 177.143 176.300 -0.067 0.000 1.115 461 R CA 0.376 56.433 56.100 -0.070 0.000 1.152 461 R CB -0.361 29.899 30.300 -0.068 0.000 1.221 461 R HN 0.404 nan 8.270 nan 0.000 0.539 462 G N 1.329 110.083 108.800 -0.076 0.000 2.270 462 G HA2 -0.424 3.553 3.960 0.027 0.000 0.268 462 G HA3 -0.424 3.553 3.960 0.027 0.000 0.268 462 G C 0.450 175.315 174.900 -0.058 0.000 0.982 462 G CA 0.641 45.701 45.100 -0.066 0.000 0.628 462 G HN 0.461 nan 8.290 nan 0.000 0.544 463 R N 1.143 121.613 120.500 -0.050 0.000 2.827 463 R HA 0.474 4.830 4.340 0.027 0.000 0.269 463 R C 0.580 176.870 176.300 -0.018 0.000 1.048 463 R CA 0.970 57.069 56.100 -0.003 0.000 1.173 463 R CB 0.093 30.426 30.300 0.055 0.000 1.070 463 R HN 0.658 nan 8.270 nan 0.000 0.498 464 Q N 1.131 120.897 119.800 -0.058 0.000 2.756 464 Q HA 0.380 4.736 4.340 0.027 0.000 0.295 464 Q C -1.776 173.941 176.000 -0.471 0.000 0.903 464 Q CA -1.225 54.374 55.803 -0.339 0.000 0.768 464 Q CB 1.766 30.363 28.738 -0.234 0.000 1.472 464 Q HN 0.571 nan 8.270 nan 0.000 0.416 465 K N 0.048 119.979 120.400 -0.783 0.000 2.703 465 K HA 0.645 4.981 4.320 0.027 0.000 0.285 465 K C -2.338 174.037 176.600 -0.375 0.000 1.014 465 K CA -0.571 55.434 56.287 -0.469 0.000 0.858 465 K CB 2.737 35.075 32.500 -0.270 0.000 1.467 465 K HN 0.577 nan 8.250 nan 0.000 0.383 466 V N 1.919 121.744 119.914 -0.148 0.000 3.178 466 V HA 0.757 4.893 4.120 0.027 0.000 0.302 466 V C -2.013 174.071 176.094 -0.017 0.000 1.262 466 V CA -0.462 61.796 62.300 -0.069 0.000 1.030 466 V CB 2.365 34.149 31.823 -0.066 0.000 1.074 466 V HN 0.567 nan 8.190 nan 0.000 0.438 467 V N 2.926 122.846 119.914 0.010 0.000 2.851 467 V HA 0.558 4.694 4.120 0.027 0.000 0.307 467 V C -0.300 175.806 176.094 0.021 0.000 1.129 467 V CA -0.497 61.815 62.300 0.019 0.000 0.932 467 V CB 2.519 34.364 31.823 0.037 0.000 1.024 467 V HN 0.977 nan 8.190 nan 0.000 0.426 468 T N 5.435 119.998 114.554 0.016 0.000 2.837 468 T HA 0.742 5.109 4.350 0.027 0.000 0.285 468 T C -0.450 174.262 174.700 0.020 0.000 0.984 468 T CA -0.314 61.796 62.100 0.016 0.000 1.049 468 T CB 0.934 69.808 68.868 0.010 0.000 0.947 468 T HN 0.383 nan 8.240 nan 0.000 0.472 469 L N 2.448 123.684 121.223 0.021 0.000 2.362 469 L HA 0.499 4.855 4.340 0.027 0.000 0.275 469 L C 0.274 177.155 176.870 0.017 0.000 0.998 469 L CA -0.829 54.025 54.840 0.023 0.000 0.820 469 L CB 2.142 44.218 42.059 0.028 0.000 1.270 469 L HN 0.603 nan 8.230 nan 0.000 0.415 470 T N 0.270 114.833 114.554 0.016 0.000 2.902 470 T HA 0.178 4.544 4.350 0.027 0.000 0.283 470 T C -0.249 174.458 174.700 0.011 0.000 1.009 470 T CA -0.170 61.937 62.100 0.012 0.000 1.051 470 T CB 1.076 69.951 68.868 0.011 0.000 0.999 470 T HN 0.684 nan 8.240 nan 0.000 0.474 471 D N 1.069 121.474 120.400 0.008 0.000 2.737 471 D HA -0.152 4.504 4.640 0.027 0.000 0.238 471 D C -0.166 176.138 176.300 0.006 0.000 1.157 471 D CA 1.198 55.202 54.000 0.007 0.000 0.694 471 D CB -0.683 40.120 40.800 0.007 0.000 1.021 471 D HN 0.575 nan 8.370 nan 0.000 0.420 472 T N -0.992 113.565 114.554 0.006 0.000 2.831 472 T HA 0.758 5.124 4.350 0.027 0.000 0.287 472 T C -0.536 174.163 174.700 -0.003 0.000 1.070 472 T CA 0.213 62.315 62.100 0.003 0.000 1.010 472 T CB 2.044 70.918 68.868 0.010 0.000 1.264 472 T HN 0.130 nan 8.240 nan 0.000 0.532 473 T N 0.275 114.822 114.554 -0.011 0.000 2.930 473 T HA 0.372 4.739 4.350 0.027 0.000 0.290 473 T C 1.094 175.777 174.700 -0.029 0.000 1.052 473 T CA -0.414 61.672 62.100 -0.024 0.000 1.017 473 T CB 1.624 70.468 68.868 -0.040 0.000 1.137 473 T HN 0.660 nan 8.240 nan 0.000 0.511 474 N N 0.780 119.459 118.700 -0.034 0.000 2.018 474 N HA -0.190 4.566 4.740 0.027 0.000 0.196 474 N C 2.132 177.610 175.510 -0.053 0.000 1.043 474 N CA 2.600 55.633 53.050 -0.029 0.000 0.856 474 N CB -0.141 38.332 38.487 -0.023 0.000 1.042 474 N HN 0.754 nan 8.380 nan 0.000 0.423 475 Q N 0.103 119.828 119.800 -0.125 0.000 2.135 475 Q HA -0.187 4.169 4.340 0.027 0.000 0.204 475 Q C 1.521 177.465 176.000 -0.094 0.000 0.981 475 Q CA 1.302 56.989 55.803 -0.193 0.000 0.856 475 Q CB -0.328 28.111 28.738 -0.498 0.000 0.902 475 Q HN 0.342 nan 8.270 nan 0.000 0.425 476 K N 0.499 120.862 120.400 -0.062 0.000 2.283 476 K HA -0.044 4.292 4.320 0.027 0.000 0.202 476 K C 2.016 178.625 176.600 0.016 0.000 1.048 476 K CA 1.520 57.800 56.287 -0.012 0.000 0.948 476 K CB 0.050 32.546 32.500 -0.007 0.000 0.742 476 K HN 0.297 nan 8.250 nan 0.000 0.458 477 T N 1.044 115.604 114.554 0.010 0.000 2.732 477 T HA -0.106 4.260 4.350 0.027 0.000 0.261 477 T C 1.547 176.276 174.700 0.047 0.000 1.040 477 T CA 1.081 63.200 62.100 0.032 0.000 1.145 477 T CB -0.175 68.708 68.868 0.025 0.000 0.866 477 T HN 0.282 nan 8.240 nan 0.000 0.427 478 E N 1.017 121.240 120.200 0.038 0.000 2.097 478 E HA -0.111 4.255 4.350 0.027 0.000 0.196 478 E C 2.207 178.852 176.600 0.076 0.000 1.000 478 E CA 1.014 57.449 56.400 0.059 0.000 0.804 478 E CB -0.401 29.335 29.700 0.060 0.000 0.740 478 E HN 0.393 nan 8.360 nan 0.000 0.454 479 L N 0.641 121.907 121.223 0.073 0.000 2.027 479 L HA -0.208 4.148 4.340 0.027 0.000 0.206 479 L C 2.775 179.704 176.870 0.099 0.000 1.074 479 L CA 0.870 55.759 54.840 0.083 0.000 0.745 479 L CB -0.411 41.693 42.059 0.075 0.000 0.898 479 L HN 0.153 nan 8.230 nan 0.000 0.433 480 Q N 0.177 120.038 119.800 0.102 0.000 2.077 480 Q HA -0.248 4.108 4.340 0.027 0.000 0.206 480 Q C 2.322 178.414 176.000 0.154 0.000 0.989 480 Q CA 2.118 58.013 55.803 0.153 0.000 0.853 480 Q CB -0.386 28.424 28.738 0.120 0.000 0.907 480 Q HN 0.519 nan 8.270 nan 0.000 0.418 481 A N 0.968 123.858 122.820 0.117 0.000 1.869 481 A HA -0.240 4.097 4.320 0.027 0.000 0.218 481 A C 2.171 179.810 177.584 0.093 0.000 1.203 481 A CA 2.027 54.136 52.037 0.121 0.000 0.638 481 A CB -1.008 18.058 19.000 0.109 0.000 0.831 481 A HN 0.451 nan 8.150 nan 0.000 0.450 482 I N -2.131 118.485 120.570 0.077 0.000 2.361 482 I HA -0.239 3.947 4.170 0.027 0.000 0.251 482 I C 2.486 178.619 176.117 0.027 0.000 1.133 482 I CA 1.552 62.869 61.300 0.028 0.000 1.413 482 I CB -0.494 37.529 38.000 0.039 0.000 1.073 482 I HN 0.524 nan 8.210 nan 0.000 0.424 483 Y N 2.159 122.421 120.300 -0.063 0.000 2.145 483 Y HA -0.221 4.345 4.550 0.027 0.000 0.286 483 Y C 2.246 178.074 175.900 -0.119 0.000 1.145 483 Y CA 1.406 59.458 58.100 -0.081 0.000 1.148 483 Y CB -0.630 37.806 38.460 -0.039 0.000 0.981 483 Y HN 0.026 nan 8.280 nan 0.000 0.507 484 L N -0.175 120.944 121.223 -0.173 0.000 1.970 484 L HA -0.244 4.112 4.340 0.027 0.000 0.212 484 L C 2.822 179.411 176.870 -0.468 0.000 1.071 484 L CA 1.501 56.174 54.840 -0.278 0.000 0.751 484 L CB -1.373 40.688 42.059 0.005 0.000 0.889 484 L HN 0.221 nan 8.230 nan 0.000 0.432 485 A N -0.046 122.458 122.820 -0.527 0.000 1.997 485 A HA -0.218 4.118 4.320 0.027 0.000 0.221 485 A C 2.284 179.288 177.584 -0.967 0.000 1.172 485 A CA 1.869 53.287 52.037 -1.031 0.000 0.645 485 A CB -0.786 17.836 19.000 -0.630 0.000 0.813 485 A HN 0.417 nan 8.150 nan 0.000 0.454 486 L N -1.550 119.368 121.223 -0.509 0.000 2.162 486 L HA -0.147 4.209 4.340 0.027 0.000 0.205 486 L C 2.867 179.541 176.870 -0.327 0.000 1.086 486 L CA 0.980 55.610 54.840 -0.351 0.000 0.778 486 L CB -0.391 41.582 42.059 -0.143 0.000 0.928 486 L HN 0.486 nan 8.230 nan 0.000 0.446 487 Q N 0.124 119.691 119.800 -0.387 0.000 1.941 487 Q HA -0.184 4.172 4.340 0.027 0.000 0.201 487 Q C 1.073 176.924 176.000 -0.250 0.000 0.982 487 Q CA 1.530 57.136 55.803 -0.328 0.000 0.839 487 Q CB -0.112 28.358 28.738 -0.446 0.000 0.904 487 Q HN 0.394 nan 8.270 nan 0.000 0.427 488 D N 0.146 120.382 120.400 -0.273 0.000 2.379 488 D HA -0.066 4.590 4.640 0.027 0.000 0.243 488 D C 1.421 177.667 176.300 -0.091 0.000 1.088 488 D CA 0.616 54.537 54.000 -0.132 0.000 0.925 488 D CB -0.084 40.699 40.800 -0.028 0.000 0.888 488 D HN 0.205 nan 8.370 nan 0.000 0.529 489 S N -0.641 114.912 115.700 -0.245 0.000 2.370 489 S HA 0.403 4.890 4.470 0.027 0.000 0.214 489 S C 1.256 175.876 174.600 0.034 0.000 1.033 489 S CA 0.345 58.473 58.200 -0.120 0.000 0.941 489 S CB 0.181 63.127 63.200 -0.424 0.000 0.886 489 S HN 0.374 nan 8.310 nan 0.000 0.521 490 G N 0.436 109.222 108.800 -0.022 0.000 2.539 490 G HA2 0.087 4.064 3.960 0.027 0.000 0.686 490 G HA3 0.087 4.064 3.960 0.027 0.000 0.686 490 G C -0.125 174.783 174.900 0.013 0.000 1.258 490 G CA -0.425 44.683 45.100 0.013 0.000 0.846 490 G HN 0.482 nan 8.290 nan 0.000 0.647 491 L N 0.218 121.452 121.223 0.019 0.000 2.149 491 L HA -0.139 4.218 4.340 0.027 0.000 0.223 491 L C 1.666 178.556 176.870 0.034 0.000 1.089 491 L CA 2.595 57.450 54.840 0.025 0.000 0.800 491 L CB -0.453 41.624 42.059 0.030 0.000 0.897 491 L HN 0.742 nan 8.230 nan 0.000 0.443 492 E N -1.562 118.666 120.200 0.047 0.000 2.222 492 E HA 0.643 5.009 4.350 0.027 0.000 0.267 492 E C -1.143 175.508 176.600 0.086 0.000 0.884 492 E CA -0.548 55.889 56.400 0.063 0.000 0.764 492 E CB 2.494 32.231 29.700 0.062 0.000 1.169 492 E HN -0.109 nan 8.360 nan 0.000 0.413 493 V N 0.974 120.945 119.914 0.095 0.000 3.120 493 V HA 0.432 4.568 4.120 0.027 0.000 0.303 493 V C -0.904 175.292 176.094 0.169 0.000 1.238 493 V CA -1.276 61.107 62.300 0.138 0.000 1.008 493 V CB 2.250 34.108 31.823 0.058 0.000 1.064 493 V HN 0.588 nan 8.190 nan 0.000 0.434 494 N N 2.487 121.320 118.700 0.221 0.000 2.372 494 N HA 0.736 5.492 4.740 0.027 0.000 0.285 494 N C -1.249 174.388 175.510 0.213 0.000 1.008 494 N CA -0.251 52.949 53.050 0.249 0.000 0.880 494 N CB 2.466 41.078 38.487 0.209 0.000 1.239 494 N HN 0.694 nan 8.380 nan 0.000 0.484 495 I N 1.446 122.092 120.570 0.127 0.000 2.447 495 I HA 0.279 4.465 4.170 0.027 0.000 0.287 495 I C -0.181 175.921 176.117 -0.026 0.000 1.023 495 I CA -1.158 60.179 61.300 0.063 0.000 1.083 495 I CB 2.206 40.207 38.000 0.003 0.000 1.245 495 I HN 0.101 nan 8.210 nan 0.000 0.434 496 V N 4.639 124.493 119.914 -0.101 0.000 2.483 496 V HA 0.794 4.930 4.120 0.027 0.000 0.295 496 V C -0.494 175.528 176.094 -0.119 0.000 1.035 496 V CA 0.269 62.460 62.300 -0.182 0.000 0.896 496 V CB 1.879 33.445 31.823 -0.428 0.000 0.986 496 V HN 0.858 nan 8.190 nan 0.000 0.447 497 T N 2.654 117.153 114.554 -0.092 0.000 2.883 497 T HA 0.498 4.864 4.350 0.027 0.000 0.296 497 T C -0.269 174.313 174.700 -0.196 0.000 1.117 497 T CA 0.163 62.232 62.100 -0.051 0.000 1.006 497 T CB 1.968 70.871 68.868 0.059 0.000 1.191 497 T HN 0.946 nan 8.240 nan 0.000 0.508 498 D N 0.620 120.909 120.400 -0.185 0.000 2.433 498 D HA 0.180 4.836 4.640 0.027 0.000 0.211 498 D C 0.549 176.935 176.300 0.143 0.000 1.114 498 D CA -0.200 53.567 54.000 -0.389 0.000 0.837 498 D CB 0.099 40.719 40.800 -0.299 0.000 0.984 498 D HN 0.292 nan 8.370 nan 0.000 0.505 499 S N 0.251 116.109 115.700 0.263 0.000 2.523 499 S HA 0.111 4.597 4.470 0.027 0.000 0.275 499 S C 0.995 175.843 174.600 0.414 0.000 1.281 499 S CA -0.306 58.083 58.200 0.315 0.000 1.050 499 S CB 1.349 64.665 63.200 0.194 0.000 0.937 499 S HN 0.116 nan 8.310 nan 0.000 0.492 500 Q N 3.345 123.309 119.800 0.275 0.000 2.204 500 Q HA -0.035 4.321 4.340 0.027 0.000 0.198 500 Q C 1.034 177.031 176.000 -0.005 0.000 0.946 500 Q CA 0.816 56.610 55.803 -0.015 0.000 0.859 500 Q CB -0.228 28.465 28.738 -0.074 0.000 0.946 500 Q HN 0.913 nan 8.270 nan 0.000 0.474 501 Y N 1.840 122.117 120.300 -0.037 0.000 2.014 501 Y HA -0.380 4.186 4.550 0.027 0.000 0.272 501 Y C 2.418 178.272 175.900 -0.077 0.000 1.164 501 Y CA 1.854 59.919 58.100 -0.060 0.000 1.114 501 Y CB -0.662 37.789 38.460 -0.015 0.000 0.961 501 Y HN 0.138 nan 8.280 nan 0.000 0.489 502 A N -0.079 122.835 122.820 0.156 0.000 1.842 502 A HA -0.297 4.039 4.320 0.027 0.000 0.217 502 A C 2.213 179.786 177.584 -0.019 0.000 1.206 502 A CA 2.073 54.150 52.037 0.067 0.000 0.630 502 A CB -1.554 17.510 19.000 0.106 0.000 0.839 502 A HN 0.553 nan 8.150 nan 0.000 0.447 503 L N -0.070 121.153 121.223 -0.000 0.000 2.113 503 L HA -0.243 4.113 4.340 0.027 0.000 0.221 503 L C 2.352 179.142 176.870 -0.134 0.000 1.084 503 L CA 2.669 57.472 54.840 -0.061 0.000 0.787 503 L CB -1.062 40.916 42.059 -0.135 0.000 0.893 503 L HN 0.433 nan 8.230 nan 0.000 0.440 504 G N -0.787 107.891 108.800 -0.202 0.000 2.575 504 G HA2 -0.248 3.729 3.960 0.027 0.000 0.215 504 G HA3 -0.248 3.729 3.960 0.027 0.000 0.215 504 G C 1.581 176.348 174.900 -0.222 0.000 1.262 504 G CA 0.988 45.925 45.100 -0.271 0.000 0.807 504 G HN 0.445 nan 8.290 nan 0.000 0.567 505 I N 0.765 121.156 120.570 -0.299 0.000 2.093 505 I HA -0.316 3.871 4.170 0.027 0.000 0.239 505 I C 2.807 178.888 176.117 -0.059 0.000 1.026 505 I CA 1.612 62.741 61.300 -0.285 0.000 1.295 505 I CB -0.296 37.526 38.000 -0.295 0.000 1.007 505 I HN 0.204 nan 8.210 nan 0.000 0.401 506 I N -0.363 120.204 120.570 -0.005 0.000 2.202 506 I HA -0.300 3.886 4.170 0.027 0.000 0.242 506 I C 2.608 178.802 176.117 0.127 0.000 1.091 506 I CA 1.192 62.549 61.300 0.096 0.000 1.368 506 I CB -0.504 37.539 38.000 0.073 0.000 1.058 506 I HN 0.344 nan 8.210 nan 0.000 0.410 507 Q N 1.101 120.933 119.800 0.053 0.000 2.308 507 Q HA -0.182 4.174 4.340 0.027 0.000 0.209 507 Q C 1.546 177.621 176.000 0.125 0.000 0.985 507 Q CA 1.421 57.257 55.803 0.055 0.000 0.881 507 Q CB -0.046 28.680 28.738 -0.020 0.000 0.917 507 Q HN 0.565 nan 8.270 nan 0.000 0.443 508 A N 0.387 123.305 122.820 0.164 0.000 2.648 508 A HA 0.063 4.399 4.320 0.027 0.000 0.269 508 A C -0.118 177.641 177.584 0.292 0.000 1.392 508 A CA -0.269 51.957 52.037 0.315 0.000 1.019 508 A CB -0.244 18.977 19.000 0.368 0.000 1.009 508 A HN 0.443 nan 8.150 nan 0.000 0.565 509 Q N 0.363 120.281 119.800 0.196 0.000 2.328 509 Q HA -0.165 4.191 4.340 0.027 0.000 0.362 509 Q C -1.996 174.060 176.000 0.095 0.000 1.267 509 Q CA 0.374 56.196 55.803 0.032 0.000 1.121 509 Q CB -1.174 27.471 28.738 -0.155 0.000 1.351 509 Q HN 0.629 nan 8.270 nan 0.000 0.390 510 P HA -0.027 nan 4.420 nan 0.000 0.275 510 P C -0.417 177.018 177.300 0.226 0.000 1.227 510 P CA 0.218 63.440 63.100 0.204 0.000 0.781 510 P CB 0.944 32.775 31.700 0.218 0.000 0.906 511 D N 0.623 121.111 120.400 0.146 0.000 2.571 511 D HA 0.113 4.770 4.640 0.027 0.000 0.239 511 D C 0.140 176.425 176.300 -0.025 0.000 1.267 511 D CA -0.234 53.818 54.000 0.086 0.000 0.823 511 D CB 0.121 40.974 40.800 0.089 0.000 1.056 511 D HN 0.514 nan 8.370 nan 0.000 0.494 512 Q N -1.812 118.005 119.800 0.028 0.000 2.574 512 Q HA 0.496 4.852 4.340 0.027 0.000 0.265 512 Q C -1.941 174.079 176.000 0.033 0.000 0.975 512 Q CA -0.860 54.941 55.803 -0.002 0.000 0.923 512 Q CB 1.251 29.981 28.738 -0.013 0.000 1.518 512 Q HN -0.031 nan 8.270 nan 0.000 0.401 513 S N -0.070 115.633 115.700 0.006 0.000 2.638 513 S HA 0.318 4.805 4.470 0.027 0.000 0.274 513 S C -0.151 174.432 174.600 -0.029 0.000 1.157 513 S CA 0.133 58.334 58.200 0.002 0.000 0.826 513 S CB 1.758 64.986 63.200 0.046 0.000 1.139 513 S HN 0.802 nan 8.310 nan 0.000 0.474 514 E N 0.643 120.810 120.200 -0.056 0.000 2.112 514 E HA 0.127 4.493 4.350 0.027 0.000 0.190 514 E C 0.591 177.172 176.600 -0.031 0.000 0.979 514 E CA 0.516 56.887 56.400 -0.049 0.000 0.814 514 E CB -0.157 29.501 29.700 -0.071 0.000 0.762 514 E HN 0.284 nan 8.360 nan 0.000 0.460 515 S N 0.670 116.359 115.700 -0.018 0.000 2.455 515 S HA 0.034 4.520 4.470 0.027 0.000 0.278 515 S C 0.862 175.449 174.600 -0.022 0.000 1.216 515 S CA -0.458 57.741 58.200 -0.001 0.000 1.055 515 S CB 0.885 64.113 63.200 0.046 0.000 0.939 515 S HN 0.251 nan 8.310 nan 0.000 0.494 516 E N 4.744 124.921 120.200 -0.037 0.000 2.086 516 E HA -0.191 4.175 4.350 0.027 0.000 0.200 516 E C 1.689 178.225 176.600 -0.107 0.000 1.012 516 E CA 1.908 58.270 56.400 -0.064 0.000 0.812 516 E CB -0.459 29.208 29.700 -0.055 0.000 0.743 516 E HN 0.827 nan 8.360 nan 0.000 0.453 517 L N -0.467 120.695 121.223 -0.102 0.000 2.013 517 L HA -0.244 4.113 4.340 0.027 0.000 0.212 517 L C 2.304 179.061 176.870 -0.188 0.000 1.073 517 L CA 1.625 56.364 54.840 -0.169 0.000 0.753 517 L CB -0.329 41.678 42.059 -0.086 0.000 0.890 517 L HN 0.144 nan 8.230 nan 0.000 0.432 518 V N 0.312 120.181 119.914 -0.074 0.000 2.255 518 V HA -0.329 3.807 4.120 0.027 0.000 0.247 518 V C 2.293 178.334 176.094 -0.087 0.000 1.051 518 V CA 2.118 64.397 62.300 -0.035 0.000 1.018 518 V CB -0.882 30.982 31.823 0.068 0.000 0.641 518 V HN 0.545 nan 8.190 nan 0.000 0.445 519 N N 0.017 118.664 118.700 -0.089 0.000 2.060 519 N HA -0.221 4.535 4.740 0.027 0.000 0.195 519 N C 1.888 177.298 175.510 -0.167 0.000 1.028 519 N CA 1.599 54.584 53.050 -0.109 0.000 0.861 519 N CB -0.405 38.022 38.487 -0.099 0.000 1.029 519 N HN 0.525 nan 8.380 nan 0.000 0.428 520 Q N 0.960 120.607 119.800 -0.256 0.000 1.985 520 Q HA -0.107 4.250 4.340 0.027 0.000 0.207 520 Q C 2.453 178.238 176.000 -0.359 0.000 0.996 520 Q CA 1.032 56.593 55.803 -0.403 0.000 0.851 520 Q CB -0.768 27.474 28.738 -0.826 0.000 0.921 520 Q HN 0.481 nan 8.270 nan 0.000 0.418 521 I N 0.772 121.109 120.570 -0.388 0.000 2.087 521 I HA -0.339 3.847 4.170 0.027 0.000 0.240 521 I C 2.507 178.543 176.117 -0.135 0.000 1.054 521 I CA 1.314 62.515 61.300 -0.165 0.000 1.311 521 I CB -0.576 37.359 38.000 -0.107 0.000 1.024 521 I HN 0.164 nan 8.210 nan 0.000 0.402 522 I N 0.377 120.863 120.570 -0.139 0.000 2.113 522 I HA -0.346 3.841 4.170 0.027 0.000 0.242 522 I C 2.682 178.700 176.117 -0.165 0.000 1.057 522 I CA 1.528 62.738 61.300 -0.150 0.000 1.314 522 I CB -0.657 37.300 38.000 -0.073 0.000 1.022 522 I HN 0.322 nan 8.210 nan 0.000 0.408 523 E N 0.400 120.523 120.200 -0.128 0.000 2.038 523 E HA -0.294 4.072 4.350 0.027 0.000 0.195 523 E C 2.076 178.637 176.600 -0.065 0.000 1.000 523 E CA 1.422 57.765 56.400 -0.095 0.000 0.803 523 E CB -0.440 29.215 29.700 -0.075 0.000 0.750 523 E HN 0.423 nan 8.360 nan 0.000 0.448 524 Q N 0.620 120.399 119.800 -0.036 0.000 2.152 524 Q HA -0.107 4.249 4.340 0.027 0.000 0.206 524 Q C 2.244 178.193 176.000 -0.084 0.000 0.985 524 Q CA 1.097 56.895 55.803 -0.008 0.000 0.863 524 Q CB -0.356 28.438 28.738 0.092 0.000 0.904 524 Q HN 0.276 nan 8.270 nan 0.000 0.422 525 L N -0.858 120.252 121.223 -0.188 0.000 2.072 525 L HA -0.108 4.248 4.340 0.027 0.000 0.205 525 L C 2.153 178.884 176.870 -0.233 0.000 1.079 525 L CA 0.841 55.484 54.840 -0.328 0.000 0.752 525 L CB -0.314 41.293 42.059 -0.753 0.000 0.906 525 L HN 0.262 nan 8.230 nan 0.000 0.436 526 I N -0.644 119.842 120.570 -0.140 0.000 2.286 526 I HA -0.285 3.902 4.170 0.027 0.000 0.248 526 I C 2.513 178.677 176.117 0.079 0.000 1.115 526 I CA 1.122 62.474 61.300 0.087 0.000 1.392 526 I CB -0.429 37.674 38.000 0.172 0.000 1.065 526 I HN 0.213 nan 8.210 nan 0.000 0.418 527 K N 0.995 121.410 120.400 0.026 0.000 2.057 527 K HA -0.088 4.248 4.320 0.027 0.000 0.207 527 K C 0.928 177.544 176.600 0.026 0.000 1.049 527 K CA 0.822 57.127 56.287 0.030 0.000 0.931 527 K CB -0.151 32.356 32.500 0.011 0.000 0.714 527 K HN 0.198 nan 8.250 nan 0.000 0.440 528 K N 1.042 121.444 120.400 0.003 0.000 2.285 528 K HA -0.091 4.245 4.320 0.027 0.000 0.255 528 K C 1.330 177.955 176.600 0.042 0.000 1.000 528 K CA 0.420 56.713 56.287 0.010 0.000 0.887 528 K CB 0.648 33.142 32.500 -0.011 0.000 0.997 528 K HN 0.082 nan 8.250 nan 0.000 0.510 529 E N 1.003 121.229 120.200 0.043 0.000 2.079 529 E HA 0.014 4.380 4.350 0.027 0.000 0.191 529 E C -0.539 176.101 176.600 0.067 0.000 0.961 529 E CA 1.129 57.562 56.400 0.054 0.000 0.823 529 E CB 0.458 30.186 29.700 0.045 0.000 0.789 529 E HN 0.379 nan 8.360 nan 0.000 0.459 530 K N -0.043 120.397 120.400 0.066 0.000 2.535 530 K HA 0.487 4.823 4.320 0.027 0.000 0.250 530 K C -1.856 174.797 176.600 0.089 0.000 0.948 530 K CA -0.675 55.662 56.287 0.083 0.000 0.796 530 K CB 2.916 35.462 32.500 0.077 0.000 1.216 530 K HN -0.116 nan 8.250 nan 0.000 0.432 531 V N 3.330 123.309 119.914 0.108 0.000 2.531 531 V HA 0.331 4.467 4.120 0.027 0.000 0.301 531 V C -1.398 174.790 176.094 0.156 0.000 1.034 531 V CA -0.922 61.439 62.300 0.102 0.000 0.865 531 V CB 1.296 33.145 31.823 0.044 0.000 0.995 531 V HN 0.683 nan 8.190 nan 0.000 0.424 532 Y N 5.839 126.164 120.300 0.042 0.000 2.352 532 Y HA 0.777 5.343 4.550 0.027 0.000 0.339 532 Y C -1.059 174.863 175.900 0.037 0.000 0.992 532 Y CA -1.160 56.966 58.100 0.043 0.000 1.100 532 Y CB 1.733 40.214 38.460 0.035 0.000 1.192 532 Y HN 0.569 nan 8.280 nan 0.000 0.458 533 L N 6.402 127.214 121.223 -0.685 0.000 2.343 533 L HA 0.870 5.226 4.340 0.027 0.000 0.278 533 L C -1.143 175.350 176.870 -0.628 0.000 0.996 533 L CA -0.620 53.946 54.840 -0.456 0.000 0.831 533 L CB 0.826 42.762 42.059 -0.205 0.000 1.232 533 L HN 0.765 nan 8.230 nan 0.000 0.413 534 A N 4.220 126.828 122.820 -0.352 0.000 2.356 534 A HA 0.753 5.089 4.320 0.027 0.000 0.323 534 A C -1.894 175.707 177.584 0.028 0.000 1.119 534 A CA -0.564 51.384 52.037 -0.148 0.000 0.790 534 A CB 0.934 19.969 19.000 0.058 0.000 1.273 534 A HN 0.794 nan 8.150 nan 0.000 0.452 535 W N 1.806 123.050 121.300 -0.094 0.000 2.689 535 W HA 0.615 5.291 4.660 0.027 0.000 0.340 535 W C -0.996 175.499 176.519 -0.039 0.000 1.060 535 W CA -0.429 56.877 57.345 -0.067 0.000 1.218 535 W CB 1.932 31.354 29.460 -0.064 0.000 1.410 535 W HN 0.914 nan 8.180 nan 0.000 0.528 536 V N 2.576 121.781 119.914 -1.182 0.000 3.049 536 V HA 0.658 4.794 4.120 0.027 0.000 0.309 536 V C -2.829 172.214 176.094 -1.752 0.000 1.148 536 V CA -3.066 58.558 62.300 -1.126 0.000 0.990 536 V CB 1.526 33.048 31.823 -0.501 0.000 1.039 536 V HN 0.482 nan 8.190 nan 0.000 0.430 537 P HA 0.342 nan 4.420 nan 0.000 0.265 537 P C -0.173 176.898 177.300 -0.381 0.000 1.193 537 P CA 0.702 63.432 63.100 -0.617 0.000 0.765 537 P CB 0.582 32.171 31.700 -0.185 0.000 0.823 538 A N 3.281 125.963 122.820 -0.228 0.000 2.286 538 A HA 0.359 4.695 4.320 0.027 0.000 0.286 538 A C 0.283 177.783 177.584 -0.140 0.000 1.097 538 A CA -0.254 51.626 52.037 -0.263 0.000 0.821 538 A CB -0.317 18.493 19.000 -0.316 0.000 1.076 538 A HN 0.783 nan 8.150 nan 0.000 0.490 539 H N -0.936 118.120 119.070 -0.023 0.000 2.820 539 H HA -0.132 4.441 4.556 0.027 0.000 0.295 539 H C 0.374 175.694 175.328 -0.014 0.000 1.187 539 H CA 1.449 57.491 56.048 -0.010 0.000 1.144 539 H CB -1.153 28.612 29.762 0.005 0.000 1.354 539 H HN 0.704 nan 8.280 nan 0.000 0.395 540 K N 0.039 120.457 120.400 0.031 0.000 2.402 540 K HA 0.284 4.620 4.320 0.027 0.000 0.204 540 K C 0.986 177.587 176.600 0.002 0.000 1.056 540 K CA 0.746 57.042 56.287 0.014 0.000 1.069 540 K CB 0.858 33.345 32.500 -0.023 0.000 0.888 540 K HN 0.465 nan 8.250 nan 0.000 0.546 541 G N 2.340 111.140 108.800 -0.001 0.000 2.354 541 G HA2 -0.207 3.769 3.960 0.027 0.000 0.278 541 G HA3 -0.207 3.769 3.960 0.027 0.000 0.278 541 G C 0.328 175.223 174.900 -0.008 0.000 0.953 541 G CA 0.391 45.489 45.100 -0.003 0.000 1.346 541 G HN 0.154 nan 8.290 nan 0.000 0.467 542 I N 0.464 121.028 120.570 -0.010 0.000 3.313 542 I HA 0.385 4.571 4.170 0.027 0.000 0.233 542 I C 1.778 177.917 176.117 0.036 0.000 1.050 542 I CA 1.708 63.016 61.300 0.013 0.000 1.499 542 I CB -1.244 36.760 38.000 0.005 0.000 1.373 542 I HN 0.563 nan 8.210 nan 0.000 0.458 543 G N 0.000 108.858 108.800 0.097 0.000 5.446 543 G HA2 0.000 3.976 3.960 0.027 0.000 0.244 543 G HA3 0.000 3.976 3.960 0.027 0.000 0.244 543 G CA 0.000 45.072 45.100 -0.047 0.000 0.502 543 G HN 0.000 nan 8.290 nan 0.000 0.925