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 1rt2_1_A DATA FIRST_RESID 1 DATA SEQUENCE PISPIETVPV KLKPGMDGPK VKQWPLTEEK IKALVEICTE MEKEGKISKI DATA SEQUENCE GPENPYNTPV FAIKKKDSTK WRKLVDFREL NKRTQDFWEV QLGIPHPAGL DATA SEQUENCE KKKKSVTVLD 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 0.000 177.336 177.300 0.059 0.000 1.155 1 P CA 0.000 63.125 63.100 0.042 0.000 0.800 1 P CB 0.000 31.719 31.700 0.031 0.000 0.726 2 I N -2.755 117.860 120.570 0.074 0.000 3.580 2 I HA 0.673 4.858 4.170 0.025 0.000 0.296 2 I C -0.424 175.757 176.117 0.106 0.000 1.146 2 I CA -1.114 60.244 61.300 0.098 0.000 1.051 2 I CB 1.608 39.680 38.000 0.120 0.000 1.364 2 I HN 0.148 nan 8.210 nan 0.000 0.482 3 S N 2.959 118.735 115.700 0.127 0.000 2.531 3 S HA 0.292 4.776 4.470 0.025 0.000 0.279 3 S C -2.157 172.540 174.600 0.162 0.000 1.305 3 S CA -0.601 57.695 58.200 0.160 0.000 1.058 3 S CB 0.156 63.450 63.200 0.158 0.000 0.899 3 S HN 0.485 nan 8.310 nan 0.000 0.493 4 P HA 0.383 nan 4.420 nan 0.000 0.214 4 P C -0.861 176.598 177.300 0.267 0.000 1.849 4 P CA -0.108 63.102 63.100 0.182 0.000 1.022 4 P CB -0.435 31.345 31.700 0.134 0.000 1.912 5 I N -0.907 119.776 120.570 0.187 0.000 3.067 5 I HA 0.450 4.635 4.170 0.025 0.000 0.312 5 I C 0.435 176.593 176.117 0.068 0.000 1.073 5 I CA -1.621 59.751 61.300 0.121 0.000 1.016 5 I CB 1.423 39.411 38.000 -0.020 0.000 1.227 5 I HN -0.088 nan 8.210 nan 0.000 0.456 6 E N 2.629 122.848 120.200 0.032 0.000 2.366 6 E HA 0.095 4.460 4.350 0.025 0.000 0.266 6 E C -0.494 176.119 176.600 0.022 0.000 1.015 6 E CA -0.111 56.307 56.400 0.030 0.000 0.906 6 E CB 0.508 30.218 29.700 0.016 0.000 0.979 6 E HN 0.602 nan 8.360 nan 0.000 0.443 7 T N 1.197 115.777 114.554 0.044 0.000 2.832 7 T HA 0.314 4.679 4.350 0.025 0.000 0.296 7 T C 0.222 174.952 174.700 0.051 0.000 0.968 7 T CA -0.967 61.164 62.100 0.053 0.000 1.107 7 T CB 0.869 69.782 68.868 0.075 0.000 0.916 7 T HN 0.185 nan 8.240 nan 0.000 0.517 8 V N 6.514 126.457 119.914 0.048 0.000 2.715 8 V HA 0.270 4.404 4.120 0.025 0.000 0.299 8 V C -1.599 174.549 176.094 0.090 0.000 1.054 8 V CA -1.464 60.870 62.300 0.056 0.000 1.077 8 V CB 0.543 32.395 31.823 0.048 0.000 0.972 8 V HN 0.860 nan 8.190 nan 0.000 0.484 9 P HA 0.275 nan 4.420 nan 0.000 0.286 9 P C -0.843 176.524 177.300 0.113 0.000 1.321 9 P CA -0.066 63.094 63.100 0.100 0.000 0.790 9 P CB 1.130 32.877 31.700 0.078 0.000 0.897 10 V N 5.155 125.137 119.914 0.113 0.000 2.612 10 V HA 0.434 4.569 4.120 0.025 0.000 0.301 10 V C 0.525 176.655 176.094 0.061 0.000 1.046 10 V CA -0.429 61.894 62.300 0.039 0.000 0.946 10 V CB 1.857 33.570 31.823 -0.183 0.000 1.003 10 V HN 0.450 nan 8.190 nan 0.000 0.459 11 K N 3.125 123.522 120.400 -0.004 0.000 2.426 11 K HA 0.626 4.961 4.320 0.025 0.000 0.251 11 K C -1.301 175.330 176.600 0.053 0.000 0.941 11 K CA -0.867 55.471 56.287 0.083 0.000 0.808 11 K CB 2.555 35.068 32.500 0.022 0.000 1.265 11 K HN 0.434 nan 8.250 nan 0.000 0.432 12 L N 2.186 123.462 121.223 0.089 0.000 2.426 12 L HA 0.146 4.501 4.340 0.025 0.000 0.271 12 L C 0.561 177.410 176.870 -0.036 0.000 1.169 12 L CA -0.177 54.683 54.840 0.033 0.000 0.836 12 L CB 0.197 42.147 42.059 -0.182 0.000 1.112 12 L HN 0.479 nan 8.230 nan 0.000 0.465 13 K N 4.325 124.700 120.400 -0.041 0.000 2.325 13 K HA -0.120 4.215 4.320 0.025 0.000 0.258 13 K C -2.040 174.529 176.600 -0.051 0.000 1.250 13 K CA -0.682 55.566 56.287 -0.066 0.000 1.260 13 K CB -0.057 32.419 32.500 -0.040 0.000 0.785 13 K HN 0.240 nan 8.250 nan 0.000 0.501 14 P HA -0.186 nan 4.420 nan 0.000 0.128 14 P C -0.042 177.245 177.300 -0.023 0.000 0.697 14 P CA 1.398 64.476 63.100 -0.037 0.000 1.191 14 P CB -0.208 31.467 31.700 -0.041 0.000 1.488 15 G N 0.526 109.314 108.800 -0.018 0.000 2.244 15 G HA2 -0.024 3.951 3.960 0.025 0.000 0.163 15 G HA3 -0.024 3.951 3.960 0.025 0.000 0.163 15 G C -0.318 174.578 174.900 -0.006 0.000 1.064 15 G CA -0.413 44.682 45.100 -0.008 0.000 0.757 15 G HN 0.385 nan 8.290 nan 0.000 0.484 16 M N -0.866 118.724 119.600 -0.017 0.000 3.328 16 M HA 0.736 5.231 4.480 0.025 0.000 0.423 16 M C -1.365 174.922 176.300 -0.021 0.000 1.828 16 M CA -0.621 54.672 55.300 -0.012 0.000 0.781 16 M CB 1.461 34.053 32.600 -0.014 0.000 2.952 16 M HN 0.053 nan 8.290 nan 0.000 0.476 17 D N -0.802 119.584 120.400 -0.024 0.000 2.609 17 D HA 0.523 5.178 4.640 0.025 0.000 0.239 17 D C -0.861 175.395 176.300 -0.074 0.000 1.229 17 D CA -0.079 53.916 54.000 -0.007 0.000 0.808 17 D CB 1.826 42.710 40.800 0.141 0.000 1.448 17 D HN 0.687 nan 8.370 nan 0.000 0.433 18 G N 1.426 110.093 108.800 -0.222 0.000 2.554 18 G HA2 0.369 4.344 3.960 0.025 0.000 0.238 18 G HA3 0.369 4.344 3.960 0.025 0.000 0.238 18 G C -2.146 172.855 174.900 0.168 0.000 1.259 18 G CA -0.656 44.302 45.100 -0.236 0.000 0.843 18 G HN 0.391 nan 8.290 nan 0.000 0.582 19 P HA 0.298 nan 4.420 nan 0.000 0.274 19 P C -0.889 176.554 177.300 0.238 0.000 1.256 19 P CA -0.248 62.966 63.100 0.191 0.000 0.795 19 P CB 0.974 32.775 31.700 0.168 0.000 1.038 20 K N -1.120 119.373 120.400 0.155 0.000 2.580 20 K HA 0.638 4.973 4.320 0.025 0.000 0.258 20 K C -1.929 174.702 176.600 0.052 0.000 0.936 20 K CA -0.956 55.396 56.287 0.109 0.000 0.852 20 K CB 1.607 34.162 32.500 0.091 0.000 1.329 20 K HN 0.273 nan 8.250 nan 0.000 0.430 21 V N 1.053 120.981 119.914 0.022 0.000 3.120 21 V HA 0.403 4.538 4.120 0.025 0.000 0.303 21 V C -1.394 174.670 176.094 -0.050 0.000 1.238 21 V CA -0.894 61.391 62.300 -0.025 0.000 1.008 21 V CB 2.270 34.074 31.823 -0.032 0.000 1.064 21 V HN 0.825 nan 8.190 nan 0.000 0.434 22 K N 3.206 123.552 120.400 -0.090 0.000 2.378 22 K HA 0.221 4.556 4.320 0.025 0.000 0.288 22 K C -0.084 176.456 176.600 -0.101 0.000 1.057 22 K CA -0.165 56.068 56.287 -0.090 0.000 0.971 22 K CB 0.686 33.122 32.500 -0.106 0.000 0.975 22 K HN 0.764 nan 8.250 nan 0.000 0.475 23 Q N 4.337 124.107 119.800 -0.050 0.000 2.262 23 Q HA -0.140 4.215 4.340 0.025 0.000 0.298 23 Q C -0.932 175.094 176.000 0.044 0.000 1.083 23 Q CA 0.368 56.157 55.803 -0.024 0.000 0.962 23 Q CB 0.325 29.056 28.738 -0.012 0.000 1.104 23 Q HN 0.385 nan 8.270 nan 0.000 0.376 24 W N 7.318 128.591 121.300 -0.044 0.000 2.607 24 W HA 0.107 4.782 4.660 0.025 0.000 0.336 24 W C -2.071 174.477 176.519 0.047 0.000 1.439 24 W CA -1.981 55.406 57.345 0.070 0.000 1.346 24 W CB -0.237 29.400 29.460 0.295 0.000 1.425 24 W HN 0.645 nan 8.180 nan 0.000 0.565 25 P HA -0.008 nan 4.420 nan 0.000 0.264 25 P C -0.447 176.949 177.300 0.160 0.000 1.183 25 P CA 0.715 63.923 63.100 0.181 0.000 0.763 25 P CB 0.468 32.257 31.700 0.148 0.000 0.807 26 L N 1.269 122.535 121.223 0.073 0.000 2.301 26 L HA 0.572 4.926 4.340 0.025 0.000 0.264 26 L C 0.990 177.843 176.870 -0.028 0.000 1.016 26 L CA -0.986 53.861 54.840 0.013 0.000 0.821 26 L CB 1.705 43.745 42.059 -0.030 0.000 1.346 26 L HN 0.285 nan 8.230 nan 0.000 0.429 27 T N -3.236 111.274 114.554 -0.073 0.000 2.813 27 T HA 0.073 4.437 4.350 0.025 0.000 0.297 27 T C 0.975 175.615 174.700 -0.100 0.000 1.036 27 T CA -0.091 61.967 62.100 -0.071 0.000 1.044 27 T CB 0.934 69.761 68.868 -0.068 0.000 0.993 27 T HN 0.862 nan 8.240 nan 0.000 0.535 28 E N 0.347 120.509 120.200 -0.064 0.000 2.153 28 E HA -0.246 4.119 4.350 0.025 0.000 0.194 28 E C 1.852 178.394 176.600 -0.097 0.000 0.988 28 E CA 1.341 57.704 56.400 -0.062 0.000 0.811 28 E CB -0.236 29.447 29.700 -0.028 0.000 0.746 28 E HN 0.887 nan 8.360 nan 0.000 0.466 29 E N 1.495 121.629 120.200 -0.110 0.000 2.031 29 E HA -0.222 4.142 4.350 0.025 0.000 0.193 29 E C 1.926 178.278 176.600 -0.413 0.000 0.994 29 E CA 1.458 57.777 56.400 -0.134 0.000 0.800 29 E CB 0.115 29.811 29.700 -0.006 0.000 0.752 29 E HN 0.249 nan 8.360 nan 0.000 0.447 30 K N 0.336 120.363 120.400 -0.621 0.000 1.973 30 K HA -0.140 4.195 4.320 0.025 0.000 0.212 30 K C 2.323 178.669 176.600 -0.423 0.000 1.047 30 K CA 1.697 57.468 56.287 -0.861 0.000 0.937 30 K CB -0.390 31.687 32.500 -0.705 0.000 0.721 30 K HN 0.179 nan 8.250 nan 0.000 0.440 31 I N 1.712 122.135 120.570 -0.245 0.000 2.147 31 I HA -0.395 3.790 4.170 0.025 0.000 0.245 31 I C 2.648 178.709 176.117 -0.094 0.000 1.059 31 I CA 1.293 62.519 61.300 -0.124 0.000 1.320 31 I CB -0.440 37.514 38.000 -0.077 0.000 1.021 31 I HN 0.194 nan 8.210 nan 0.000 0.415 32 K N 1.382 121.720 120.400 -0.102 0.000 1.987 32 K HA -0.218 4.116 4.320 0.025 0.000 0.216 32 K C 2.209 178.787 176.600 -0.037 0.000 1.051 32 K CA 2.209 58.465 56.287 -0.052 0.000 0.942 32 K CB -0.621 31.857 32.500 -0.037 0.000 0.722 32 K HN 0.345 nan 8.250 nan 0.000 0.444 33 A N 1.650 124.433 122.820 -0.061 0.000 1.917 33 A HA -0.169 4.166 4.320 0.025 0.000 0.219 33 A C 2.464 180.047 177.584 -0.001 0.000 1.182 33 A CA 1.696 53.738 52.037 0.008 0.000 0.633 33 A CB -0.701 18.339 19.000 0.066 0.000 0.819 33 A HN 0.378 nan 8.150 nan 0.000 0.448 34 L N -0.366 120.831 121.223 -0.042 0.000 2.127 34 L HA -0.195 4.160 4.340 0.025 0.000 0.211 34 L C 2.465 179.340 176.870 0.008 0.000 1.089 34 L CA 1.321 56.152 54.840 -0.016 0.000 0.757 34 L CB -0.600 41.446 42.059 -0.022 0.000 0.899 34 L HN 0.323 nan 8.230 nan 0.000 0.434 35 V N -0.634 119.289 119.914 0.015 0.000 2.379 35 V HA -0.197 3.938 4.120 0.025 0.000 0.245 35 V C 2.238 178.344 176.094 0.019 0.000 1.044 35 V CA 1.382 63.705 62.300 0.038 0.000 1.036 35 V CB -0.535 31.311 31.823 0.039 0.000 0.664 35 V HN 0.434 nan 8.190 nan 0.000 0.453 36 E N 0.678 120.884 120.200 0.011 0.000 2.021 36 E HA -0.240 4.124 4.350 0.025 0.000 0.200 36 E C 2.157 178.748 176.600 -0.014 0.000 1.015 36 E CA 2.052 58.456 56.400 0.007 0.000 0.824 36 E CB -0.365 29.346 29.700 0.018 0.000 0.762 36 E HN 0.537 nan 8.360 nan 0.000 0.454 37 I N 1.078 121.635 120.570 -0.021 0.000 2.068 37 I HA -0.394 3.791 4.170 0.025 0.000 0.238 37 I C 2.689 178.740 176.117 -0.110 0.000 1.046 37 I CA 1.181 62.448 61.300 -0.055 0.000 1.306 37 I CB -0.647 37.326 38.000 -0.045 0.000 1.023 37 I HN 0.268 nan 8.210 nan 0.000 0.399 38 C N 0.435 119.649 119.300 -0.144 0.000 2.403 38 C HA -0.182 4.293 4.460 0.025 0.000 0.279 38 C C 3.025 177.856 174.990 -0.266 0.000 1.269 38 C CA 1.694 60.513 59.018 -0.332 0.000 1.774 38 C CB -1.382 26.047 27.740 -0.519 0.000 1.993 38 C HN 0.579 nan 8.230 nan 0.000 0.496 39 T N 0.161 114.668 114.554 -0.079 0.000 2.857 39 T HA -0.135 4.229 4.350 0.025 0.000 0.266 39 T C 1.664 176.346 174.700 -0.028 0.000 1.048 39 T CA 1.626 63.727 62.100 0.001 0.000 1.139 39 T CB -0.236 68.653 68.868 0.035 0.000 0.874 39 T HN 0.667 nan 8.240 nan 0.000 0.455 40 E N 1.768 121.937 120.200 -0.050 0.000 2.023 40 E HA -0.121 4.244 4.350 0.025 0.000 0.196 40 E C 2.138 178.695 176.600 -0.071 0.000 1.003 40 E CA 1.515 57.884 56.400 -0.051 0.000 0.809 40 E CB -0.444 29.221 29.700 -0.058 0.000 0.755 40 E HN 0.416 nan 8.360 nan 0.000 0.449 41 M N 0.080 119.608 119.600 -0.120 0.000 2.106 41 M HA -0.215 4.280 4.480 0.025 0.000 0.259 41 M C 2.442 178.683 176.300 -0.097 0.000 1.068 41 M CA 2.173 57.384 55.300 -0.148 0.000 1.100 41 M CB -0.456 32.006 32.600 -0.230 0.000 1.351 41 M HN 0.249 nan 8.290 nan 0.000 0.404 42 E N 0.706 120.855 120.200 -0.085 0.000 2.070 42 E HA -0.230 4.134 4.350 0.025 0.000 0.197 42 E C 1.925 178.529 176.600 0.007 0.000 1.004 42 E CA 1.464 57.862 56.400 -0.004 0.000 0.805 42 E CB 0.121 29.872 29.700 0.085 0.000 0.744 42 E HN 0.191 nan 8.360 nan 0.000 0.451 43 K N 0.474 120.872 120.400 -0.003 0.000 2.103 43 K HA -0.081 4.254 4.320 0.025 0.000 0.204 43 K C 1.943 178.544 176.600 0.001 0.000 1.052 43 K CA 1.280 57.569 56.287 0.002 0.000 0.945 43 K CB -0.104 32.396 32.500 0.000 0.000 0.722 43 K HN 0.357 nan 8.250 nan 0.000 0.443 44 E N -0.313 119.879 120.200 -0.012 0.000 2.401 44 E HA -0.083 4.281 4.350 0.025 0.000 0.199 44 E C 0.761 177.370 176.600 0.015 0.000 1.023 44 E CA 0.586 56.983 56.400 -0.005 0.000 0.859 44 E CB -0.042 29.641 29.700 -0.028 0.000 0.780 44 E HN 0.482 nan 8.360 nan 0.000 0.523 45 G N 1.333 110.142 108.800 0.015 0.000 2.141 45 G HA2 -0.322 3.653 3.960 0.025 0.000 0.242 45 G HA3 -0.322 3.653 3.960 0.025 0.000 0.242 45 G C 0.790 175.722 174.900 0.054 0.000 0.982 45 G CA 0.615 45.737 45.100 0.036 0.000 0.662 45 G HN 0.231 nan 8.290 nan 0.000 0.527 46 K N -0.388 120.033 120.400 0.034 0.000 2.021 46 K HA 0.254 4.589 4.320 0.025 0.000 0.205 46 K C 1.674 178.299 176.600 0.042 0.000 1.047 46 K CA 1.428 57.760 56.287 0.074 0.000 0.943 46 K CB 0.125 32.637 32.500 0.021 0.000 0.725 46 K HN 0.783 nan 8.250 nan 0.000 0.439 47 I N -2.402 118.125 120.570 -0.073 0.000 3.023 47 I HA 0.414 4.598 4.170 0.025 0.000 0.312 47 I C -0.905 175.234 176.117 0.036 0.000 1.056 47 I CA -0.843 60.382 61.300 -0.125 0.000 1.033 47 I CB 2.387 40.187 38.000 -0.333 0.000 1.233 47 I HN -0.262 nan 8.210 nan 0.000 0.462 48 S N 1.728 117.501 115.700 0.121 0.000 2.575 48 S HA 0.354 4.838 4.470 0.025 0.000 0.278 48 S C -0.938 173.687 174.600 0.042 0.000 1.139 48 S CA -0.990 57.286 58.200 0.125 0.000 0.954 48 S CB 1.705 64.926 63.200 0.035 0.000 1.054 48 S HN 0.738 nan 8.310 nan 0.000 0.483 49 K N 2.883 123.188 120.400 -0.158 0.000 2.414 49 K HA 0.483 4.818 4.320 0.025 0.000 0.272 49 K C 0.027 176.440 176.600 -0.311 0.000 0.993 49 K CA -0.186 55.744 56.287 -0.594 0.000 0.964 49 K CB 0.090 32.259 32.500 -0.551 0.000 0.925 49 K HN 0.650 nan 8.250 nan 0.000 0.487 50 I N -2.936 117.442 120.570 -0.321 0.000 3.354 50 I HA 0.584 4.769 4.170 0.025 0.000 0.316 50 I C -0.219 175.794 176.117 -0.174 0.000 1.182 50 I CA -1.614 59.568 61.300 -0.197 0.000 0.942 50 I CB 1.789 39.697 38.000 -0.154 0.000 1.299 50 I HN 0.654 nan 8.210 nan 0.000 0.473 51 G N 0.587 109.309 108.800 -0.129 0.000 2.451 51 G HA2 0.555 4.529 3.960 0.025 0.000 0.303 51 G HA3 0.555 4.529 3.960 0.025 0.000 0.303 51 G C -1.812 173.022 174.900 -0.111 0.000 1.166 51 G CA -1.389 43.644 45.100 -0.112 0.000 0.884 51 G HN 0.647 nan 8.290 nan 0.000 0.514 52 P HA -0.037 nan 4.420 nan 0.000 0.261 52 P C 0.485 177.724 177.300 -0.102 0.000 1.297 52 P CA 0.624 63.665 63.100 -0.099 0.000 0.757 52 P CB 0.370 32.018 31.700 -0.086 0.000 1.149 53 E N 0.103 120.241 120.200 -0.103 0.000 2.463 53 E HA 0.014 4.379 4.350 0.025 0.000 0.193 53 E C 0.233 176.746 176.600 -0.146 0.000 1.041 53 E CA -0.285 56.050 56.400 -0.108 0.000 0.879 53 E CB -0.018 29.631 29.700 -0.086 0.000 0.997 53 E HN 0.029 nan 8.360 nan 0.000 0.478 54 N N 1.695 120.302 118.700 -0.155 0.000 2.500 54 N HA 0.083 4.838 4.740 0.025 0.000 0.236 54 N C -1.702 173.636 175.510 -0.287 0.000 1.022 54 N CA -1.595 51.335 53.050 -0.200 0.000 0.935 54 N CB 1.472 39.891 38.487 -0.114 0.000 1.147 54 N HN 0.080 nan 8.380 nan 0.000 0.512 55 P HA -0.036 nan 4.420 nan 0.000 0.229 55 P C -0.340 176.682 177.300 -0.465 0.000 1.160 55 P CA 0.760 63.544 63.100 -0.527 0.000 0.777 55 P CB 0.158 31.466 31.700 -0.654 0.000 0.814 56 Y N 0.485 120.782 120.300 -0.005 0.000 2.316 56 Y HA 0.556 5.121 4.550 0.025 0.000 0.324 56 Y C 1.141 177.059 175.900 0.031 0.000 1.267 56 Y CA -0.878 57.242 58.100 0.033 0.000 1.311 56 Y CB 0.403 38.898 38.460 0.058 0.000 1.267 56 Y HN -0.094 nan 8.280 nan 0.000 0.516 57 N N -0.654 118.180 118.700 0.224 0.000 2.928 57 N HA 0.187 4.942 4.740 0.025 0.000 0.247 57 N C -2.026 173.575 175.510 0.151 0.000 1.141 57 N CA -0.274 52.870 53.050 0.156 0.000 0.977 57 N CB 1.845 40.379 38.487 0.077 0.000 1.663 57 N HN 0.682 nan 8.380 nan 0.000 0.509 58 T N 2.776 117.421 114.554 0.151 0.000 2.876 58 T HA 0.542 4.907 4.350 0.025 0.000 0.289 58 T C -2.721 171.964 174.700 -0.025 0.000 1.014 58 T CA -1.006 61.133 62.100 0.065 0.000 0.986 58 T CB 2.126 71.017 68.868 0.039 0.000 1.021 58 T HN 0.346 nan 8.240 nan 0.000 0.458 59 P HA 0.188 nan 4.420 nan 0.000 0.271 59 P C -0.379 176.627 177.300 -0.490 0.000 1.233 59 P CA -0.176 62.758 63.100 -0.275 0.000 0.764 59 P CB 0.774 32.364 31.700 -0.183 0.000 0.825 60 V N 5.775 125.401 119.914 -0.479 0.000 2.743 60 V HA 0.555 4.689 4.120 0.025 0.000 0.301 60 V C -0.830 174.880 176.094 -0.641 0.000 1.057 60 V CA -0.267 61.779 62.300 -0.423 0.000 1.006 60 V CB 0.374 32.092 31.823 -0.175 0.000 1.024 60 V HN 0.311 nan 8.190 nan 0.000 0.473 61 F N 3.143 123.065 119.950 -0.047 0.000 2.591 61 F HA 0.739 5.281 4.527 0.025 0.000 0.309 61 F C 0.168 175.950 175.800 -0.031 0.000 1.098 61 F CA -0.631 57.346 58.000 -0.039 0.000 0.937 61 F CB 1.980 40.953 39.000 -0.045 0.000 1.250 61 F HN 0.593 nan 8.300 nan 0.000 0.447 62 A N 4.073 127.006 122.820 0.187 0.000 2.258 62 A HA 0.790 5.125 4.320 0.025 0.000 0.316 62 A C -0.716 177.053 177.584 0.308 0.000 1.279 62 A CA -0.531 51.592 52.037 0.144 0.000 0.876 62 A CB 0.027 18.959 19.000 -0.113 0.000 1.170 62 A HN 0.731 nan 8.150 nan 0.000 0.520 63 I N -0.053 120.718 120.570 0.336 0.000 2.433 63 I HA 0.501 4.686 4.170 0.025 0.000 0.292 63 I C 0.036 176.301 176.117 0.247 0.000 1.001 63 I CA -0.918 60.557 61.300 0.291 0.000 1.119 63 I CB 1.673 39.741 38.000 0.113 0.000 1.289 63 I HN 0.333 nan 8.210 nan 0.000 0.438 64 K N 5.927 126.344 120.400 0.029 0.000 2.294 64 K HA 0.047 4.382 4.320 0.025 0.000 0.288 64 K C -0.199 176.298 176.600 -0.171 0.000 1.072 64 K CA 0.008 56.075 56.287 -0.366 0.000 0.960 64 K CB 0.334 32.396 32.500 -0.729 0.000 1.043 64 K HN 0.749 nan 8.250 nan 0.000 0.455 65 K N 3.909 124.250 120.400 -0.100 0.000 2.405 65 K HA -0.123 4.212 4.320 0.025 0.000 0.276 65 K C 0.174 176.722 176.600 -0.087 0.000 1.099 65 K CA 0.241 56.492 56.287 -0.060 0.000 1.120 65 K CB 0.261 32.744 32.500 -0.029 0.000 0.877 65 K HN 0.228 nan 8.250 nan 0.000 0.472 66 K N 2.913 123.270 120.400 -0.072 0.000 3.322 66 K HA 0.071 4.406 4.320 0.025 0.000 0.291 66 K C -0.849 175.722 176.600 -0.049 0.000 1.131 66 K CA 0.486 56.731 56.287 -0.070 0.000 1.185 66 K CB 0.300 32.764 32.500 -0.061 0.000 1.338 66 K HN 0.633 nan 8.250 nan 0.000 0.380 67 D N -1.427 118.946 120.400 -0.045 0.000 2.464 67 D HA 0.020 4.675 4.640 0.025 0.000 0.272 67 D C 0.677 176.961 176.300 -0.027 0.000 1.224 67 D CA -0.180 53.804 54.000 -0.025 0.000 1.118 67 D CB 0.361 41.155 40.800 -0.009 0.000 1.710 67 D HN 0.096 nan 8.370 nan 0.000 0.479 68 S N -0.564 115.117 115.700 -0.032 0.000 2.524 68 S HA 0.088 4.572 4.470 0.025 0.000 0.215 68 S C 0.422 174.985 174.600 -0.061 0.000 0.986 68 S CA 0.473 58.655 58.200 -0.031 0.000 0.911 68 S CB 0.526 63.718 63.200 -0.013 0.000 0.805 68 S HN 0.211 nan 8.310 nan 0.000 0.501 69 T N 1.694 116.190 114.554 -0.097 0.000 6.885 69 T HA -0.215 4.150 4.350 0.025 0.000 0.286 69 T C 0.030 174.602 174.700 -0.214 0.000 2.119 69 T CA 1.753 63.760 62.100 -0.154 0.000 3.358 69 T CB -1.494 67.301 68.868 -0.122 0.000 1.764 69 T HN 0.740 nan 8.240 nan 0.000 1.202 70 K N -0.491 119.812 120.400 -0.160 0.000 2.139 70 K HA 0.556 4.891 4.320 0.025 0.000 0.243 70 K C -0.568 175.954 176.600 -0.131 0.000 0.983 70 K CA -1.147 55.054 56.287 -0.144 0.000 0.890 70 K CB 1.244 33.728 32.500 -0.028 0.000 1.090 70 K HN 0.201 nan 8.250 nan 0.000 0.445 71 W N 1.191 122.491 121.300 -0.001 0.000 2.356 71 W HA 0.210 4.884 4.660 0.025 0.000 0.311 71 W C 0.439 176.957 176.519 -0.003 0.000 1.328 71 W CA -0.296 57.049 57.345 -0.000 0.000 1.251 71 W CB 0.805 30.267 29.460 0.004 0.000 1.280 71 W HN 0.399 nan 8.180 nan 0.000 0.524 72 R N 2.689 123.347 120.500 0.264 0.000 2.720 72 R HA 0.384 4.739 4.340 0.025 0.000 0.272 72 R C -0.519 175.866 176.300 0.141 0.000 0.991 72 R CA -1.020 55.169 56.100 0.147 0.000 1.010 72 R CB 1.143 31.498 30.300 0.092 0.000 1.141 72 R HN 0.357 nan 8.270 nan 0.000 0.494 73 K N 1.952 122.398 120.400 0.076 0.000 2.130 73 K HA 0.487 4.822 4.320 0.025 0.000 0.268 73 K C -1.330 175.302 176.600 0.053 0.000 0.983 73 K CA -0.536 55.776 56.287 0.042 0.000 0.893 73 K CB 0.738 33.226 32.500 -0.021 0.000 1.066 73 K HN 0.284 nan 8.250 nan 0.000 0.450 74 L N 4.405 125.655 121.223 0.044 0.000 2.541 74 L HA 0.264 4.619 4.340 0.025 0.000 0.266 74 L C -1.411 175.451 176.870 -0.013 0.000 0.966 74 L CA -0.508 54.365 54.840 0.055 0.000 0.871 74 L CB 2.017 44.137 42.059 0.101 0.000 1.232 74 L HN 0.389 nan 8.230 nan 0.000 0.408 75 V N 2.222 122.058 119.914 -0.130 0.000 2.465 75 V HA 0.266 4.401 4.120 0.025 0.000 0.279 75 V C -0.076 175.773 176.094 -0.409 0.000 1.045 75 V CA -0.605 61.449 62.300 -0.409 0.000 0.938 75 V CB 1.572 32.947 31.823 -0.747 0.000 0.986 75 V HN 0.728 nan 8.190 nan 0.000 0.467 76 D N 3.252 123.481 120.400 -0.286 0.000 2.422 76 D HA 0.278 4.933 4.640 0.025 0.000 0.227 76 D C 0.203 176.409 176.300 -0.156 0.000 1.190 76 D CA -0.152 53.811 54.000 -0.061 0.000 0.905 76 D CB 0.319 41.258 40.800 0.231 0.000 1.034 76 D HN 0.398 nan 8.370 nan 0.000 0.507 77 F N 2.240 122.270 119.950 0.133 0.000 2.732 77 F HA 0.255 4.796 4.527 0.025 0.000 0.303 77 F C 2.017 177.915 175.800 0.163 0.000 1.110 77 F CA -0.268 57.827 58.000 0.158 0.000 1.355 77 F CB -0.055 39.062 39.000 0.195 0.000 1.081 77 F HN 0.324 nan 8.300 nan 0.000 0.565 78 R N 0.355 121.015 120.500 0.266 0.000 2.140 78 R HA -0.210 4.145 4.340 0.025 0.000 0.250 78 R C 1.974 178.392 176.300 0.197 0.000 1.150 78 R CA 1.744 57.965 56.100 0.202 0.000 0.966 78 R CB -0.349 30.047 30.300 0.158 0.000 0.869 78 R HN 0.293 nan 8.270 nan 0.000 0.445 79 E N 0.596 120.917 120.200 0.201 0.000 2.028 79 E HA -0.160 4.205 4.350 0.025 0.000 0.191 79 E C 2.053 178.781 176.600 0.213 0.000 0.988 79 E CA 0.774 57.280 56.400 0.177 0.000 0.799 79 E CB -0.276 29.514 29.700 0.151 0.000 0.755 79 E HN 0.107 nan 8.360 nan 0.000 0.447 80 L N 2.273 123.677 121.223 0.301 0.000 2.043 80 L HA -0.217 4.138 4.340 0.025 0.000 0.212 80 L C 1.661 178.755 176.870 0.373 0.000 1.075 80 L CA 1.759 56.809 54.840 0.350 0.000 0.752 80 L CB -0.851 41.506 42.059 0.496 0.000 0.891 80 L HN 0.028 nan 8.230 nan 0.000 0.432 81 N N 0.701 119.620 118.700 0.365 0.000 2.104 81 N HA -0.218 4.537 4.740 0.025 0.000 0.190 81 N C 1.234 176.835 175.510 0.152 0.000 1.024 81 N CA 1.761 54.953 53.050 0.237 0.000 0.853 81 N CB -0.457 38.134 38.487 0.173 0.000 1.008 81 N HN 0.594 nan 8.380 nan 0.000 0.424 82 K N 0.943 121.427 120.400 0.139 0.000 2.706 82 K HA 0.090 4.425 4.320 0.025 0.000 0.217 82 K C 0.207 176.854 176.600 0.078 0.000 1.019 82 K CA 0.221 56.561 56.287 0.090 0.000 1.181 82 K CB -0.052 32.496 32.500 0.080 0.000 0.940 82 K HN 0.278 nan 8.250 nan 0.000 0.491 83 R N -1.715 118.844 120.500 0.098 0.000 2.451 83 R HA 0.113 4.468 4.340 0.025 0.000 0.320 83 R C -0.982 175.371 176.300 0.087 0.000 0.731 83 R CA -0.570 55.570 56.100 0.066 0.000 0.978 83 R CB -0.044 30.286 30.300 0.049 0.000 1.654 83 R HN -0.078 nan 8.270 nan 0.000 0.520 84 T N 2.428 117.064 114.554 0.137 0.000 2.867 84 T HA 0.168 4.533 4.350 0.025 0.000 0.282 84 T C -0.233 174.422 174.700 -0.074 0.000 1.000 84 T CA -0.565 61.639 62.100 0.173 0.000 1.042 84 T CB 1.715 70.820 68.868 0.395 0.000 0.973 84 T HN 0.316 nan 8.240 nan 0.000 0.465 85 Q N 1.836 121.492 119.800 -0.240 0.000 2.369 85 Q HA 0.068 4.422 4.340 0.025 0.000 0.295 85 Q C -1.068 174.523 176.000 -0.682 0.000 1.075 85 Q CA -0.074 55.469 55.803 -0.433 0.000 0.941 85 Q CB 0.049 28.474 28.738 -0.522 0.000 1.260 85 Q HN 0.470 nan 8.270 nan 0.000 0.417 86 D N 1.793 121.936 120.400 -0.429 0.000 2.345 86 D HA 0.331 4.985 4.640 0.025 0.000 0.247 86 D C -0.988 175.072 176.300 -0.400 0.000 1.108 86 D CA 0.080 53.907 54.000 -0.287 0.000 0.894 86 D CB 0.426 41.153 40.800 -0.121 0.000 1.203 86 D HN 0.356 nan 8.370 nan 0.000 0.430 87 F N 0.075 119.976 119.950 -0.081 0.000 2.594 87 F HA 0.324 4.865 4.527 0.024 0.000 0.335 87 F C 0.093 175.916 175.800 0.038 0.000 1.058 87 F CA -1.326 56.656 58.000 -0.030 0.000 0.981 87 F CB 0.794 39.735 39.000 -0.098 0.000 1.289 87 F HN 0.319 nan 8.300 nan 0.000 0.490 88 W N 2.704 124.083 121.300 0.131 0.000 2.565 88 W HA 0.210 4.885 4.660 0.024 0.000 0.325 88 W C -1.117 175.424 176.519 0.037 0.000 1.408 88 W CA 0.062 57.437 57.345 0.051 0.000 1.350 88 W CB 0.407 29.883 29.460 0.027 0.000 1.426 88 W HN 0.642 nan 8.180 nan 0.000 0.538 89 E N 4.839 124.672 120.200 -0.613 0.000 3.666 89 E HA 0.013 4.378 4.350 0.025 0.000 0.230 89 E C 0.247 176.455 176.600 -0.655 0.000 1.235 89 E CA -0.245 55.848 56.400 -0.510 0.000 1.096 89 E CB 1.301 30.860 29.700 -0.236 0.000 1.287 89 E HN 0.276 nan 8.360 nan 0.000 0.406 90 V N 2.302 121.628 119.914 -0.980 0.000 3.577 90 V HA -0.093 4.042 4.120 0.025 0.000 0.294 90 V C 1.730 177.680 176.094 -0.241 0.000 1.317 90 V CA 0.507 62.439 62.300 -0.613 0.000 1.169 90 V CB -0.086 31.366 31.823 -0.619 0.000 1.011 90 V HN 0.495 nan 8.190 nan 0.000 0.426 91 Q N -0.523 119.170 119.800 -0.178 0.000 2.585 91 Q HA -0.130 4.225 4.340 0.025 0.000 0.219 91 Q C 0.757 176.770 176.000 0.022 0.000 0.984 91 Q CA 0.725 56.516 55.803 -0.021 0.000 0.915 91 Q CB -0.470 28.281 28.738 0.021 0.000 0.967 91 Q HN 0.437 nan 8.270 nan 0.000 0.530 92 L N 1.827 123.031 121.223 -0.032 0.000 2.480 92 L HA 0.332 4.687 4.340 0.025 0.000 0.243 92 L C 0.331 177.201 176.870 -0.001 0.000 1.315 92 L CA 0.394 55.229 54.840 -0.008 0.000 1.231 92 L CB -0.078 41.959 42.059 -0.038 0.000 1.444 92 L HN 0.225 nan 8.230 nan 0.000 0.409 93 G N 2.271 111.091 108.800 0.033 0.000 4.184 93 G HA2 0.251 4.226 3.960 0.025 0.000 0.282 93 G HA3 0.251 4.226 3.960 0.025 0.000 0.282 93 G C -0.193 174.745 174.900 0.064 0.000 1.223 93 G CA -0.271 44.850 45.100 0.034 0.000 0.773 93 G HN 0.084 nan 8.290 nan 0.000 0.519 94 I N 2.029 122.628 120.570 0.049 0.000 2.452 94 I HA 0.216 4.400 4.170 0.025 0.000 0.287 94 I C -1.505 174.666 176.117 0.090 0.000 1.079 94 I CA -2.700 58.642 61.300 0.071 0.000 1.387 94 I CB 0.226 38.197 38.000 -0.048 0.000 1.404 94 I HN 0.145 nan 8.210 nan 0.000 0.522 95 P HA 0.034 nan 4.420 nan 0.000 0.271 95 P C -0.625 176.701 177.300 0.044 0.000 1.233 95 P CA 0.227 63.280 63.100 -0.077 0.000 0.795 95 P CB 0.383 31.825 31.700 -0.430 0.000 0.936 96 H N 0.080 119.013 119.070 -0.228 0.000 2.495 96 H HA 0.329 4.899 4.556 0.025 0.000 0.348 96 H C -1.958 173.082 175.328 -0.481 0.000 1.113 96 H CA -2.115 53.757 56.048 -0.293 0.000 1.195 96 H CB 1.316 30.887 29.762 -0.319 0.000 1.521 96 H HN 0.175 nan 8.280 nan 0.000 0.509 97 P HA -0.213 nan 4.420 nan 0.000 0.216 97 P C 1.002 177.759 177.300 -0.906 0.000 1.154 97 P CA 2.391 64.736 63.100 -1.258 0.000 0.865 97 P CB 0.009 30.456 31.700 -2.088 0.000 0.789 98 A N -0.595 121.653 122.820 -0.953 0.000 2.084 98 A HA -0.102 4.233 4.320 0.025 0.000 0.221 98 A C 2.248 180.003 177.584 0.284 0.000 1.161 98 A CA 1.975 53.998 52.037 -0.022 0.000 0.653 98 A CB -1.584 17.701 19.000 0.474 0.000 0.802 98 A HN 0.342 nan 8.150 nan 0.000 0.457 99 G N -1.320 107.434 108.800 -0.076 0.000 2.986 99 G HA2 0.376 4.351 3.960 0.025 0.000 0.213 99 G HA3 0.376 4.351 3.960 0.025 0.000 0.213 99 G C 0.431 175.395 174.900 0.106 0.000 1.156 99 G CA -0.377 44.659 45.100 -0.107 0.000 0.763 99 G HN 0.377 nan 8.290 nan 0.000 0.547 100 L N 1.182 122.440 121.223 0.058 0.000 2.367 100 L HA 0.291 4.646 4.340 0.025 0.000 0.275 100 L C -0.034 176.932 176.870 0.161 0.000 1.129 100 L CA -0.493 54.364 54.840 0.028 0.000 0.839 100 L CB 1.034 43.051 42.059 -0.070 0.000 1.133 100 L HN -0.059 nan 8.230 nan 0.000 0.453 101 K N 3.110 123.559 120.400 0.082 0.000 2.249 101 K HA 0.169 4.504 4.320 0.025 0.000 0.280 101 K C -0.173 176.370 176.600 -0.095 0.000 1.033 101 K CA -0.451 55.870 56.287 0.055 0.000 0.946 101 K CB 0.738 33.254 32.500 0.028 0.000 1.005 101 K HN 0.296 nan 8.250 nan 0.000 0.469 102 K N 2.276 122.616 120.400 -0.101 0.000 2.485 102 K HA -0.030 4.305 4.320 0.025 0.000 0.277 102 K C -0.551 175.945 176.600 -0.173 0.000 0.990 102 K CA 0.426 56.572 56.287 -0.234 0.000 0.994 102 K CB 0.455 32.912 32.500 -0.073 0.000 0.906 102 K HN 0.217 nan 8.250 nan 0.000 0.488 103 K N 3.482 123.760 120.400 -0.203 0.000 2.427 103 K HA 0.110 4.445 4.320 0.025 0.000 0.252 103 K C 0.017 176.550 176.600 -0.112 0.000 0.931 103 K CA -0.764 55.446 56.287 -0.129 0.000 0.793 103 K CB 1.740 34.171 32.500 -0.115 0.000 1.211 103 K HN 0.467 nan 8.250 nan 0.000 0.426 104 K N 0.803 121.144 120.400 -0.098 0.000 2.218 104 K HA -0.088 4.247 4.320 0.025 0.000 0.205 104 K C -0.182 176.344 176.600 -0.124 0.000 1.046 104 K CA 1.141 57.374 56.287 -0.090 0.000 0.933 104 K CB 0.161 32.615 32.500 -0.077 0.000 0.728 104 K HN 0.721 nan 8.250 nan 0.000 0.454 105 S N -2.426 113.152 115.700 -0.203 0.000 2.580 105 S HA 0.466 4.951 4.470 0.025 0.000 0.281 105 S C -1.158 173.305 174.600 -0.227 0.000 1.129 105 S CA -1.229 56.839 58.200 -0.220 0.000 0.862 105 S CB 1.508 64.534 63.200 -0.291 0.000 1.090 105 S HN -0.184 nan 8.310 nan 0.000 0.451 106 V N 1.415 121.351 119.914 0.036 0.000 2.864 106 V HA 0.865 5.000 4.120 0.025 0.000 0.314 106 V C -0.462 175.826 176.094 0.324 0.000 1.073 106 V CA -0.386 62.029 62.300 0.191 0.000 0.956 106 V CB 2.351 34.337 31.823 0.271 0.000 1.023 106 V HN 1.101 nan 8.190 nan 0.000 0.435 107 T N 2.441 117.175 114.554 0.301 0.000 2.921 107 T HA 0.425 4.790 4.350 0.025 0.000 0.297 107 T C -1.070 173.681 174.700 0.085 0.000 1.013 107 T CA -0.367 61.880 62.100 0.246 0.000 0.990 107 T CB 1.763 70.769 68.868 0.231 0.000 1.023 107 T HN 0.562 nan 8.240 nan 0.000 0.447 108 V N 5.667 125.607 119.914 0.044 0.000 2.313 108 V HA 0.497 4.632 4.120 0.025 0.000 0.278 108 V C -0.556 175.467 176.094 -0.117 0.000 1.017 108 V CA -0.822 61.378 62.300 -0.166 0.000 0.823 108 V CB 0.480 32.095 31.823 -0.347 0.000 1.010 108 V HN 0.689 nan 8.190 nan 0.000 0.443 109 L N 5.175 126.311 121.223 -0.145 0.000 2.397 109 L HA 0.501 4.855 4.340 0.025 0.000 0.271 109 L C 0.095 176.900 176.870 -0.108 0.000 1.148 109 L CA 0.506 55.288 54.840 -0.097 0.000 0.825 109 L CB 1.270 43.269 42.059 -0.099 0.000 1.117 109 L HN 0.764 nan 8.230 nan 0.000 0.456 110 D N 1.997 122.363 120.400 -0.056 0.000 2.193 110 D HA 0.397 5.052 4.640 0.025 0.000 0.244 110 D C -0.014 176.261 176.300 -0.042 0.000 1.064 110 D CA -0.158 53.812 54.000 -0.049 0.000 0.845 110 D CB 1.301 42.092 40.800 -0.015 0.000 1.148 110 D HN 0.233 nan 8.370 nan 0.000 0.464 111 V N 2.027 121.911 119.914 -0.050 0.000 2.793 111 V HA 0.517 4.652 4.120 0.025 0.000 0.361 111 V C 1.163 177.198 176.094 -0.099 0.000 1.298 111 V CA 0.039 62.317 62.300 -0.037 0.000 1.343 111 V CB 0.505 32.344 31.823 0.026 0.000 1.410 111 V HN 0.498 nan 8.190 nan 0.000 0.656 112 G N 2.439 111.197 108.800 -0.070 0.000 2.453 112 G HA2 -0.238 3.737 3.960 0.025 0.000 0.215 112 G HA3 -0.238 3.737 3.960 0.025 0.000 0.215 112 G C 0.890 175.792 174.900 0.004 0.000 1.201 112 G CA 1.424 46.489 45.100 -0.058 0.000 0.784 112 G HN 0.807 nan 8.290 nan 0.000 0.545 113 D N 1.142 121.573 120.400 0.053 0.000 2.392 113 D HA 0.260 4.915 4.640 0.025 0.000 0.228 113 D C 2.094 178.498 176.300 0.173 0.000 1.003 113 D CA 0.809 54.919 54.000 0.183 0.000 0.917 113 D CB -0.350 40.547 40.800 0.161 0.000 0.890 113 D HN 0.319 nan 8.370 nan 0.000 0.532 114 A N 0.022 122.855 122.820 0.021 0.000 1.986 114 A HA -0.237 4.098 4.320 0.025 0.000 0.220 114 A C 1.638 179.206 177.584 -0.027 0.000 1.171 114 A CA 1.066 53.091 52.037 -0.020 0.000 0.640 114 A CB -1.050 17.897 19.000 -0.088 0.000 0.811 114 A HN 0.347 nan 8.150 nan 0.000 0.451 115 Y N -1.647 118.493 120.300 -0.265 0.000 2.181 115 Y HA -0.144 4.420 4.550 0.024 0.000 0.288 115 Y C 1.962 177.790 175.900 -0.120 0.000 1.146 115 Y CA 1.506 59.465 58.100 -0.235 0.000 1.164 115 Y CB -0.632 37.554 38.460 -0.456 0.000 0.982 115 Y HN 0.340 nan 8.280 nan 0.000 0.515 116 F N -1.002 119.064 119.950 0.194 0.000 2.661 116 F HA -0.076 4.465 4.527 0.025 0.000 0.298 116 F C 2.158 178.033 175.800 0.127 0.000 1.137 116 F CA 0.788 58.884 58.000 0.161 0.000 1.454 116 F CB -0.499 38.579 39.000 0.131 0.000 1.103 116 F HN -0.133 nan 8.300 nan 0.000 0.577 117 S N -1.043 114.813 115.700 0.260 0.000 2.528 117 S HA 0.106 4.591 4.470 0.025 0.000 0.219 117 S C 0.628 175.322 174.600 0.157 0.000 0.985 117 S CA 0.119 58.429 58.200 0.183 0.000 0.914 117 S CB 0.109 63.394 63.200 0.143 0.000 0.776 117 S HN -0.090 nan 8.310 nan 0.000 0.526 118 V N 4.962 124.969 119.914 0.155 0.000 2.370 118 V HA 0.331 4.466 4.120 0.025 0.000 0.283 118 V C -2.079 174.094 176.094 0.131 0.000 1.023 118 V CA -2.297 60.073 62.300 0.117 0.000 0.857 118 V CB 1.503 33.377 31.823 0.086 0.000 0.985 118 V HN 0.120 nan 8.190 nan 0.000 0.443 119 P HA 0.108 nan 4.420 nan 0.000 0.272 119 P C -0.931 176.440 177.300 0.117 0.000 1.248 119 P CA -0.272 62.903 63.100 0.125 0.000 0.799 119 P CB 1.122 32.886 31.700 0.107 0.000 0.997 120 L N 0.669 121.966 121.223 0.122 0.000 2.362 120 L HA 0.403 4.758 4.340 0.025 0.000 0.275 120 L C -0.453 176.489 176.870 0.119 0.000 0.998 120 L CA -0.797 54.110 54.840 0.112 0.000 0.820 120 L CB 0.975 43.097 42.059 0.106 0.000 1.270 120 L HN 0.201 nan 8.230 nan 0.000 0.415 121 D N 3.663 124.139 120.400 0.126 0.000 2.503 121 D HA -0.093 4.562 4.640 0.025 0.000 0.280 121 D C 1.244 177.640 176.300 0.160 0.000 1.405 121 D CA 0.711 54.794 54.000 0.140 0.000 1.049 121 D CB 0.741 41.634 40.800 0.155 0.000 1.127 121 D HN 0.634 nan 8.370 nan 0.000 0.551 122 E N 3.098 123.368 120.200 0.118 0.000 2.315 122 E HA -0.353 4.012 4.350 0.025 0.000 0.215 122 E C 0.706 177.362 176.600 0.093 0.000 1.069 122 E CA 1.835 58.291 56.400 0.094 0.000 0.859 122 E CB -0.317 29.427 29.700 0.074 0.000 0.743 122 E HN 0.622 nan 8.360 nan 0.000 0.469 123 D N 0.005 120.484 120.400 0.131 0.000 2.123 123 D HA -0.073 4.581 4.640 0.025 0.000 0.200 123 D C 1.836 178.246 176.300 0.182 0.000 0.976 123 D CA 0.816 54.900 54.000 0.141 0.000 0.831 123 D CB -0.676 40.230 40.800 0.177 0.000 0.974 123 D HN 0.241 nan 8.370 nan 0.000 0.469 124 F N 1.915 121.936 119.950 0.120 0.000 2.325 124 F HA 0.015 4.557 4.527 0.025 0.000 0.299 124 F C 2.264 178.103 175.800 0.065 0.000 1.090 124 F CA 0.648 58.766 58.000 0.197 0.000 1.392 124 F CB 0.094 39.168 39.000 0.123 0.000 1.053 124 F HN -0.248 nan 8.300 nan 0.000 0.521 125 R N 0.944 121.490 120.500 0.078 0.000 2.165 125 R HA -0.284 4.071 4.340 0.025 0.000 0.254 125 R C 2.315 178.547 176.300 -0.112 0.000 1.153 125 R CA 2.372 58.478 56.100 0.010 0.000 0.971 125 R CB -0.651 29.681 30.300 0.054 0.000 0.878 125 R HN 0.412 nan 8.270 nan 0.000 0.449 126 K N -0.202 120.044 120.400 -0.257 0.000 2.074 126 K HA -0.221 4.114 4.320 0.025 0.000 0.209 126 K C 1.763 178.163 176.600 -0.333 0.000 1.048 126 K CA 1.979 58.075 56.287 -0.318 0.000 0.926 126 K CB -0.665 31.590 32.500 -0.407 0.000 0.713 126 K HN 0.275 nan 8.250 nan 0.000 0.444 127 Y N 2.761 122.851 120.300 -0.350 0.000 2.403 127 Y HA -0.112 4.453 4.550 0.025 0.000 0.291 127 Y C 2.554 178.363 175.900 -0.152 0.000 1.143 127 Y CA 1.465 59.291 58.100 -0.456 0.000 1.257 127 Y CB -0.831 37.077 38.460 -0.919 0.000 0.984 127 Y HN 0.350 nan 8.280 nan 0.000 0.550 128 T N -2.285 112.288 114.554 0.032 0.000 3.129 128 T HA 0.396 4.761 4.350 0.025 0.000 0.251 128 T C 0.920 175.888 174.700 0.448 0.000 1.117 128 T CA 0.081 62.353 62.100 0.286 0.000 1.034 128 T CB -0.610 68.418 68.868 0.267 0.000 0.968 128 T HN 0.243 nan 8.240 nan 0.000 0.526 129 A N 2.019 125.003 122.820 0.273 0.000 2.566 129 A HA 0.485 4.820 4.320 0.025 0.000 0.245 129 A C 0.048 177.805 177.584 0.288 0.000 1.056 129 A CA -0.424 51.741 52.037 0.213 0.000 0.757 129 A CB -0.775 18.279 19.000 0.090 0.000 0.979 129 A HN 0.712 nan 8.150 nan 0.000 0.508 130 F N 0.341 120.385 119.950 0.155 0.000 2.598 130 F HA 0.886 5.427 4.527 0.025 0.000 0.327 130 F C -0.138 175.713 175.800 0.084 0.000 1.057 130 F CA -0.887 57.173 58.000 0.099 0.000 0.957 130 F CB 1.523 40.583 39.000 0.100 0.000 1.278 130 F HN 0.301 nan 8.300 nan 0.000 0.484 131 T N 2.555 117.227 114.554 0.197 0.000 2.881 131 T HA 0.522 4.886 4.350 0.025 0.000 0.290 131 T C -0.527 174.256 174.700 0.138 0.000 1.000 131 T CA -0.459 61.678 62.100 0.063 0.000 0.978 131 T CB 1.476 70.347 68.868 0.005 0.000 0.997 131 T HN 0.571 nan 8.240 nan 0.000 0.443 132 I N 5.624 126.266 120.570 0.120 0.000 2.337 132 I HA 0.256 4.440 4.170 0.025 0.000 0.291 132 I C -1.776 174.365 176.117 0.040 0.000 1.046 132 I CA -2.243 59.125 61.300 0.113 0.000 1.324 132 I CB 0.922 39.009 38.000 0.145 0.000 1.409 132 I HN 0.313 nan 8.210 nan 0.000 0.494 133 P HA 0.047 nan 4.420 nan 0.000 0.270 133 P C -0.621 176.679 177.300 -0.001 0.000 1.223 133 P CA -0.206 62.899 63.100 0.008 0.000 0.785 133 P CB 0.766 32.474 31.700 0.013 0.000 0.923 134 S N 0.804 116.501 115.700 -0.005 0.000 2.621 134 S HA 0.450 4.935 4.470 0.025 0.000 0.302 134 S C 0.437 175.032 174.600 -0.007 0.000 1.093 134 S CA -1.042 57.152 58.200 -0.009 0.000 1.017 134 S CB 0.585 63.776 63.200 -0.015 0.000 1.077 134 S HN 0.236 nan 8.310 nan 0.000 0.517 135 I N 2.465 123.029 120.570 -0.009 0.000 2.752 135 I HA -0.007 4.178 4.170 0.025 0.000 0.286 135 I C 0.498 176.613 176.117 -0.004 0.000 1.180 135 I CA 0.562 61.857 61.300 -0.007 0.000 1.404 135 I CB -1.813 36.182 38.000 -0.008 0.000 1.389 135 I HN 0.825 nan 8.210 nan 0.000 0.549 136 N N 4.249 122.950 118.700 0.001 0.000 2.686 136 N HA -0.299 4.456 4.740 0.025 0.000 0.249 136 N C 0.316 175.825 175.510 -0.001 0.000 1.082 136 N CA 1.087 54.139 53.050 0.003 0.000 0.725 136 N CB -1.305 37.183 38.487 0.002 0.000 1.009 136 N HN 0.750 nan 8.380 nan 0.000 0.545 137 N N -1.303 117.395 118.700 -0.002 0.000 2.727 137 N HA -0.216 4.539 4.740 0.025 0.000 0.251 137 N C 0.216 175.719 175.510 -0.011 0.000 1.040 137 N CA 1.561 54.606 53.050 -0.007 0.000 0.712 137 N CB -0.729 37.754 38.487 -0.007 0.000 0.912 137 N HN 0.709 nan 8.380 nan 0.000 0.545 138 E N -0.949 119.244 120.200 -0.012 0.000 2.041 138 E HA 0.087 4.452 4.350 0.025 0.000 0.202 138 E C 0.305 176.894 176.600 -0.018 0.000 0.945 138 E CA 1.289 57.681 56.400 -0.013 0.000 0.878 138 E CB -0.121 29.572 29.700 -0.011 0.000 0.886 138 E HN 0.604 nan 8.360 nan 0.000 0.487 139 T N 2.314 116.856 114.554 -0.020 0.000 2.739 139 T HA 0.248 4.613 4.350 0.025 0.000 0.298 139 T C -2.479 172.203 174.700 -0.031 0.000 0.929 139 T CA -1.914 60.170 62.100 -0.026 0.000 1.014 139 T CB 0.549 69.400 68.868 -0.027 0.000 0.914 139 T HN -0.064 nan 8.240 nan 0.000 0.509 140 P HA -0.035 nan 4.420 nan 0.000 0.266 140 P C 0.960 178.231 177.300 -0.048 0.000 1.162 140 P CA 0.180 63.256 63.100 -0.041 0.000 0.758 140 P CB 0.179 31.851 31.700 -0.047 0.000 0.774 141 G N 3.063 111.837 108.800 -0.043 0.000 2.464 141 G HA2 0.097 4.072 3.960 0.025 0.000 0.231 141 G HA3 0.097 4.072 3.960 0.025 0.000 0.231 141 G C 0.245 175.097 174.900 -0.080 0.000 1.267 141 G CA -0.562 44.512 45.100 -0.044 0.000 0.863 141 G HN 0.427 nan 8.290 nan 0.000 0.559 142 I N 1.967 122.490 120.570 -0.077 0.000 2.533 142 I HA 0.165 4.350 4.170 0.025 0.000 0.284 142 I C 0.742 176.701 176.117 -0.262 0.000 1.109 142 I CA -0.163 61.037 61.300 -0.166 0.000 1.412 142 I CB 0.613 38.565 38.000 -0.080 0.000 1.396 142 I HN 0.271 nan 8.210 nan 0.000 0.543 143 R N 6.300 126.559 120.500 -0.403 0.000 2.229 143 R HA 0.454 4.808 4.340 0.025 0.000 0.328 143 R C -1.176 174.710 176.300 -0.691 0.000 1.009 143 R CA -0.521 55.328 56.100 -0.418 0.000 0.864 143 R CB 1.193 31.327 30.300 -0.277 0.000 1.085 143 R HN 0.397 nan 8.270 nan 0.000 0.453 144 Y N 0.304 120.251 120.300 -0.589 0.000 2.570 144 Y HA 0.380 4.945 4.550 0.025 0.000 0.345 144 Y C 0.324 175.887 175.900 -0.562 0.000 1.014 144 Y CA -0.666 57.002 58.100 -0.719 0.000 1.063 144 Y CB 2.118 39.824 38.460 -1.258 0.000 1.272 144 Y HN 0.387 nan 8.280 nan 0.000 0.477 145 Q N 0.667 120.412 119.800 -0.092 0.000 2.416 145 Q HA 0.426 4.780 4.340 0.025 0.000 0.281 145 Q C -2.055 174.030 176.000 0.143 0.000 1.067 145 Q CA -0.858 54.993 55.803 0.080 0.000 0.809 145 Q CB 1.985 30.741 28.738 0.031 0.000 1.418 145 Q HN 0.742 nan 8.270 nan 0.000 0.411 146 Y N 1.904 122.343 120.300 0.231 0.000 2.299 146 Y HA 0.220 4.785 4.550 0.025 0.000 0.326 146 Y C 0.958 176.943 175.900 0.143 0.000 1.164 146 Y CA 0.146 58.385 58.100 0.232 0.000 1.234 146 Y CB 1.098 39.705 38.460 0.245 0.000 1.219 146 Y HN 0.682 nan 8.280 nan 0.000 0.497 147 N N 0.804 119.671 118.700 0.278 0.000 2.414 147 N HA 0.043 4.798 4.740 0.025 0.000 0.177 147 N C -0.087 175.552 175.510 0.217 0.000 1.062 147 N CA 0.549 53.716 53.050 0.195 0.000 0.890 147 N CB 0.551 39.123 38.487 0.141 0.000 1.070 147 N HN 0.400 nan 8.380 nan 0.000 0.454 148 V N -1.691 118.407 119.914 0.307 0.000 3.204 148 V HA 0.495 4.630 4.120 0.025 0.000 0.316 148 V C 0.393 176.631 176.094 0.239 0.000 1.160 148 V CA -1.124 61.343 62.300 0.278 0.000 1.044 148 V CB 1.090 33.125 31.823 0.352 0.000 1.136 148 V HN -0.128 nan 8.190 nan 0.000 0.455 149 L N 3.480 124.797 121.223 0.156 0.000 2.562 149 L HA 0.276 4.631 4.340 0.025 0.000 0.271 149 L C -2.035 174.767 176.870 -0.114 0.000 1.167 149 L CA -1.062 53.824 54.840 0.076 0.000 0.917 149 L CB 0.529 42.667 42.059 0.132 0.000 1.187 149 L HN 0.560 nan 8.230 nan 0.000 0.482 150 P HA 0.071 nan 4.420 nan 0.000 0.280 150 P C -1.116 175.886 177.300 -0.497 0.000 1.244 150 P CA -0.518 62.213 63.100 -0.615 0.000 0.784 150 P CB 0.863 31.887 31.700 -1.127 0.000 0.913 151 Q N 1.438 120.888 119.800 -0.584 0.000 2.296 151 Q HA 0.362 4.717 4.340 0.025 0.000 0.262 151 Q C 1.157 177.100 176.000 -0.095 0.000 0.981 151 Q CA 0.502 56.029 55.803 -0.459 0.000 0.905 151 Q CB 0.683 29.105 28.738 -0.527 0.000 1.186 151 Q HN 0.924 nan 8.270 nan 0.000 0.399 152 G N 2.544 111.278 108.800 -0.110 0.000 2.231 152 G HA2 -0.219 3.756 3.960 0.025 0.000 0.206 152 G HA3 -0.219 3.756 3.960 0.025 0.000 0.206 152 G C -0.581 174.384 174.900 0.109 0.000 0.996 152 G CA -0.350 44.814 45.100 0.107 0.000 0.645 152 G HN 0.617 nan 8.290 nan 0.000 0.498 153 W N 2.497 123.558 121.300 -0.400 0.000 2.316 153 W HA 0.646 5.321 4.660 0.025 0.000 0.321 153 W C 1.360 177.734 176.519 -0.241 0.000 1.203 153 W CA -0.382 56.663 57.345 -0.500 0.000 1.214 153 W CB 1.086 30.059 29.460 -0.811 0.000 1.169 153 W HN 0.114 nan 8.180 nan 0.000 0.561 154 K N 2.585 122.454 120.400 -0.885 0.000 2.052 154 K HA -0.213 4.122 4.320 0.025 0.000 0.215 154 K C 1.751 177.706 176.600 -1.074 0.000 1.053 154 K CA 2.338 58.134 56.287 -0.818 0.000 0.934 154 K CB -0.825 31.334 32.500 -0.568 0.000 0.717 154 K HN 0.766 nan 8.250 nan 0.000 0.450 155 G N -0.524 107.008 108.800 -2.113 0.000 2.744 155 G HA2 -0.091 3.884 3.960 0.025 0.000 0.211 155 G HA3 -0.091 3.884 3.960 0.025 0.000 0.211 155 G C 1.240 175.530 174.900 -1.017 0.000 1.143 155 G CA 0.453 44.329 45.100 -2.039 0.000 0.788 155 G HN 0.298 nan 8.290 nan 0.000 0.534 156 S N 1.781 117.170 115.700 -0.519 0.000 2.353 156 S HA -0.087 4.397 4.470 0.025 0.000 0.222 156 S C 0.103 174.750 174.600 0.078 0.000 1.035 156 S CA 1.473 59.678 58.200 0.009 0.000 1.025 156 S CB -0.830 62.505 63.200 0.224 0.000 0.902 156 S HN 0.295 nan 8.310 nan 0.000 0.440 157 P HA -0.046 nan 4.420 nan 0.000 0.218 157 P C 1.313 178.598 177.300 -0.025 0.000 1.148 157 P CA 1.438 64.645 63.100 0.178 0.000 0.822 157 P CB -0.079 31.674 31.700 0.088 0.000 0.784 158 A N -0.798 121.903 122.820 -0.198 0.000 1.840 158 A HA -0.133 4.201 4.320 0.025 0.000 0.214 158 A C 2.204 179.651 177.584 -0.229 0.000 1.198 158 A CA 1.289 53.189 52.037 -0.228 0.000 0.608 158 A CB -1.531 17.253 19.000 -0.360 0.000 0.839 158 A HN 0.059 nan 8.150 nan 0.000 0.443 159 I N -1.346 119.053 120.570 -0.285 0.000 2.127 159 I HA -0.258 3.927 4.170 0.025 0.000 0.241 159 I C 2.403 178.394 176.117 -0.210 0.000 1.075 159 I CA 1.917 63.093 61.300 -0.206 0.000 1.334 159 I CB -0.390 37.516 38.000 -0.156 0.000 1.040 159 I HN 0.504 nan 8.210 nan 0.000 0.405 160 F N 1.401 121.173 119.950 -0.296 0.000 2.120 160 F HA -0.306 4.236 4.527 0.024 0.000 0.300 160 F C 2.585 178.189 175.800 -0.327 0.000 1.095 160 F CA 1.847 59.608 58.000 -0.398 0.000 1.249 160 F CB -0.573 37.932 39.000 -0.825 0.000 0.995 160 F HN 0.072 nan 8.300 nan 0.000 0.480 161 Q N 0.101 119.445 119.800 -0.759 0.000 2.050 161 Q HA -0.217 4.138 4.340 0.025 0.000 0.202 161 Q C 2.545 178.244 176.000 -0.501 0.000 0.980 161 Q CA 2.018 57.418 55.803 -0.672 0.000 0.840 161 Q CB -0.625 27.965 28.738 -0.247 0.000 0.898 161 Q HN 0.518 nan 8.270 nan 0.000 0.424 162 S N -0.308 115.192 115.700 -0.334 0.000 2.382 162 S HA -0.104 4.381 4.470 0.025 0.000 0.228 162 S C 2.075 176.504 174.600 -0.285 0.000 1.027 162 S CA 1.485 59.544 58.200 -0.234 0.000 0.991 162 S CB -0.052 63.060 63.200 -0.147 0.000 0.823 162 S HN 0.399 nan 8.310 nan 0.000 0.469 163 S N 1.396 116.887 115.700 -0.349 0.000 2.348 163 S HA -0.124 4.361 4.470 0.025 0.000 0.221 163 S C 1.843 176.195 174.600 -0.414 0.000 1.033 163 S CA 1.692 59.686 58.200 -0.342 0.000 1.010 163 S CB -0.509 62.509 63.200 -0.304 0.000 0.891 163 S HN 0.544 nan 8.310 nan 0.000 0.442 164 M N 2.140 121.400 119.600 -0.568 0.000 2.106 164 M HA -0.128 4.367 4.480 0.025 0.000 0.259 164 M C 1.930 178.024 176.300 -0.344 0.000 1.068 164 M CA 1.690 56.693 55.300 -0.496 0.000 1.100 164 M CB -1.463 30.745 32.600 -0.653 0.000 1.351 164 M HN 0.246 nan 8.290 nan 0.000 0.404 165 T N 0.423 114.792 114.554 -0.309 0.000 2.684 165 T HA -0.167 4.198 4.350 0.025 0.000 0.267 165 T C 1.930 176.523 174.700 -0.179 0.000 1.036 165 T CA 1.513 63.495 62.100 -0.196 0.000 1.148 165 T CB -0.244 68.532 68.868 -0.153 0.000 0.863 165 T HN 0.366 nan 8.240 nan 0.000 0.436 166 K N 0.626 120.893 120.400 -0.222 0.000 2.063 166 K HA -0.032 4.303 4.320 0.025 0.000 0.208 166 K C 2.249 178.683 176.600 -0.277 0.000 1.048 166 K CA 1.197 57.351 56.287 -0.222 0.000 0.928 166 K CB -0.453 31.892 32.500 -0.257 0.000 0.713 166 K HN 0.417 nan 8.250 nan 0.000 0.442 167 I N 0.969 121.291 120.570 -0.413 0.000 2.394 167 I HA -0.239 3.946 4.170 0.025 0.000 0.251 167 I C 2.023 178.039 176.117 -0.168 0.000 1.136 167 I CA 0.885 61.860 61.300 -0.543 0.000 1.425 167 I CB -0.171 37.405 38.000 -0.706 0.000 1.079 167 I HN 0.069 nan 8.210 nan 0.000 0.425 168 L N 0.184 121.349 121.223 -0.096 0.000 2.418 168 L HA -0.073 4.282 4.340 0.025 0.000 0.218 168 L C 2.418 179.362 176.870 0.123 0.000 1.125 168 L CA 0.356 55.230 54.840 0.057 0.000 0.835 168 L CB -0.452 41.612 42.059 0.008 0.000 0.953 168 L HN 0.179 nan 8.230 nan 0.000 0.454 169 E N 1.329 121.554 120.200 0.042 0.000 2.068 169 E HA -0.223 4.142 4.350 0.025 0.000 0.207 169 E C -0.592 176.067 176.600 0.099 0.000 1.032 169 E CA 2.168 58.595 56.400 0.046 0.000 0.839 169 E CB -1.075 28.624 29.700 -0.001 0.000 0.758 169 E HN 0.240 nan 8.360 nan 0.000 0.457 170 P HA -0.124 nan 4.420 nan 0.000 0.211 170 P C 1.288 178.669 177.300 0.135 0.000 1.179 170 P CA 1.394 64.589 63.100 0.159 0.000 0.910 170 P CB -0.322 31.540 31.700 0.270 0.000 0.785 171 F N 0.898 120.879 119.950 0.051 0.000 2.043 171 F HA -0.299 4.242 4.527 0.024 0.000 0.297 171 F C 2.326 178.134 175.800 0.014 0.000 1.118 171 F CA 1.861 59.866 58.000 0.008 0.000 1.202 171 F CB -0.564 38.491 39.000 0.091 0.000 0.965 171 F HN -0.250 nan 8.300 nan 0.000 0.482 172 R N 0.152 120.774 120.500 0.204 0.000 2.103 172 R HA -0.226 4.129 4.340 0.025 0.000 0.242 172 R C 2.323 178.610 176.300 -0.022 0.000 1.142 172 R CA 1.842 57.996 56.100 0.089 0.000 0.960 172 R CB -0.671 29.700 30.300 0.118 0.000 0.858 172 R HN 0.338 nan 8.270 nan 0.000 0.439 173 K N 1.389 121.785 120.400 -0.008 0.000 1.987 173 K HA -0.248 4.087 4.320 0.025 0.000 0.216 173 K C 2.184 178.737 176.600 -0.078 0.000 1.051 173 K CA 1.917 58.188 56.287 -0.027 0.000 0.942 173 K CB -0.069 32.427 32.500 -0.006 0.000 0.722 173 K HN 0.221 nan 8.250 nan 0.000 0.444 174 Q N 0.217 119.943 119.800 -0.123 0.000 2.173 174 Q HA -0.167 4.188 4.340 0.025 0.000 0.208 174 Q C -0.045 175.828 176.000 -0.212 0.000 0.989 174 Q CA 1.561 57.260 55.803 -0.174 0.000 0.872 174 Q CB -0.231 28.364 28.738 -0.238 0.000 0.909 174 Q HN 0.520 nan 8.270 nan 0.000 0.420 175 N N -0.328 118.202 118.700 -0.283 0.000 2.762 175 N HA 0.166 4.921 4.740 0.025 0.000 0.252 175 N C -2.661 172.767 175.510 -0.137 0.000 1.269 175 N CA -1.214 51.692 53.050 -0.240 0.000 0.799 175 N CB 1.287 39.543 38.487 -0.385 0.000 1.173 175 N HN 0.006 nan 8.380 nan 0.000 0.516 176 P HA -0.002 nan 4.420 nan 0.000 0.258 176 P C -0.400 176.895 177.300 -0.008 0.000 1.319 176 P CA 0.596 63.680 63.100 -0.027 0.000 0.785 176 P CB 0.059 31.745 31.700 -0.023 0.000 1.252 177 D N -0.977 119.417 120.400 -0.011 0.000 2.535 177 D HA 0.105 4.760 4.640 0.025 0.000 0.229 177 D C 0.167 176.492 176.300 0.041 0.000 1.238 177 D CA -0.392 53.614 54.000 0.010 0.000 0.824 177 D CB 0.208 41.009 40.800 0.002 0.000 1.045 177 D HN 0.086 nan 8.370 nan 0.000 0.500 178 I N 1.662 122.267 120.570 0.058 0.000 2.411 178 I HA 0.259 4.444 4.170 0.025 0.000 0.284 178 I C -0.165 176.032 176.117 0.135 0.000 1.012 178 I CA -1.015 60.360 61.300 0.125 0.000 1.119 178 I CB 1.761 39.865 38.000 0.174 0.000 1.261 178 I HN -0.252 nan 8.210 nan 0.000 0.448 179 V N 7.673 127.660 119.914 0.122 0.000 2.498 179 V HA 0.408 4.542 4.120 0.025 0.000 0.279 179 V C 0.287 176.462 176.094 0.136 0.000 1.048 179 V CA -0.252 62.112 62.300 0.107 0.000 0.967 179 V CB 1.683 33.544 31.823 0.064 0.000 0.988 179 V HN 0.437 nan 8.190 nan 0.000 0.473 180 I N 5.446 126.099 120.570 0.138 0.000 2.439 180 I HA 0.330 4.514 4.170 0.025 0.000 0.285 180 I C -1.245 174.974 176.117 0.170 0.000 1.021 180 I CA -0.694 60.688 61.300 0.137 0.000 1.091 180 I CB 1.650 39.712 38.000 0.103 0.000 1.242 180 I HN 0.581 nan 8.210 nan 0.000 0.439 181 Y N 6.521 126.857 120.300 0.060 0.000 2.353 181 Y HA 0.344 4.909 4.550 0.025 0.000 0.340 181 Y C -0.219 175.774 175.900 0.154 0.000 0.972 181 Y CA -0.582 57.559 58.100 0.068 0.000 1.157 181 Y CB 0.971 39.422 38.460 -0.015 0.000 1.157 181 Y HN 0.474 nan 8.280 nan 0.000 0.495 182 Q N 6.296 125.935 119.800 -0.269 0.000 2.349 182 Q HA 0.144 4.499 4.340 0.025 0.000 0.254 182 Q C -1.999 173.795 176.000 -0.343 0.000 0.980 182 Q CA -0.280 55.381 55.803 -0.237 0.000 0.924 182 Q CB 0.661 29.319 28.738 -0.132 0.000 1.209 182 Q HN 0.789 nan 8.270 nan 0.000 0.445 183 Y N 5.665 125.762 120.300 -0.339 0.000 2.327 183 Y HA 0.197 4.762 4.550 0.025 0.000 0.325 183 Y C 0.553 176.502 175.900 0.083 0.000 0.999 183 Y CA -0.431 57.590 58.100 -0.131 0.000 1.195 183 Y CB 0.466 38.939 38.460 0.023 0.000 1.132 183 Y HN 0.898 nan 8.280 nan 0.000 0.455 184 M N 1.529 120.945 119.600 -0.308 0.000 7.319 184 M HA -0.416 4.078 4.480 0.025 0.000 0.292 184 M C 0.123 176.365 176.300 -0.097 0.000 0.480 184 M CA 2.514 57.661 55.300 -0.255 0.000 1.311 184 M CB -0.832 31.459 32.600 -0.515 0.000 0.421 184 M HN 0.603 nan 8.290 nan 0.000 0.539 185 D N 0.801 121.126 120.400 -0.124 0.000 2.363 185 D HA 0.208 4.863 4.640 0.025 0.000 0.214 185 D C -0.528 175.718 176.300 -0.091 0.000 1.093 185 D CA 0.407 54.337 54.000 -0.116 0.000 0.837 185 D CB 0.166 40.910 40.800 -0.094 0.000 0.948 185 D HN 0.370 nan 8.370 nan 0.000 0.507 186 D N 0.502 120.840 120.400 -0.103 0.000 2.419 186 D HA 0.441 5.095 4.640 0.025 0.000 0.234 186 D C -0.070 176.079 176.300 -0.251 0.000 1.014 186 D CA -0.488 53.366 54.000 -0.244 0.000 0.919 186 D CB 2.551 43.065 40.800 -0.478 0.000 1.366 186 D HN -0.119 nan 8.370 nan 0.000 0.490 187 L N 1.635 122.661 121.223 -0.329 0.000 2.406 187 L HA 0.297 4.652 4.340 0.025 0.000 0.270 187 L C -1.204 175.492 176.870 -0.291 0.000 0.982 187 L CA -0.800 53.919 54.840 -0.202 0.000 0.843 187 L CB 1.097 43.080 42.059 -0.127 0.000 1.225 187 L HN 0.230 nan 8.230 nan 0.000 0.412 188 Y N 3.110 123.365 120.300 -0.075 0.000 2.425 188 Y HA 0.394 4.959 4.550 0.025 0.000 0.347 188 Y C 0.138 176.019 175.900 -0.031 0.000 0.976 188 Y CA -0.548 57.481 58.100 -0.118 0.000 1.190 188 Y CB 1.212 39.562 38.460 -0.184 0.000 1.136 188 Y HN 0.165 nan 8.280 nan 0.000 0.517 189 V N 3.625 123.591 119.914 0.086 0.000 2.409 189 V HA 0.833 4.967 4.120 0.025 0.000 0.291 189 V C 0.288 176.521 176.094 0.231 0.000 1.020 189 V CA -0.616 61.766 62.300 0.137 0.000 0.848 189 V CB 1.399 33.275 31.823 0.089 0.000 0.990 189 V HN 0.904 nan 8.190 nan 0.000 0.430 190 G N 2.822 111.754 108.800 0.219 0.000 2.658 190 G HA2 0.877 4.852 3.960 0.025 0.000 0.292 190 G HA3 0.877 4.852 3.960 0.025 0.000 0.292 190 G C -0.773 174.232 174.900 0.174 0.000 1.320 190 G CA -0.065 45.145 45.100 0.184 0.000 0.933 190 G HN 1.024 nan 8.290 nan 0.000 0.476 191 S N -1.511 114.192 115.700 0.006 0.000 2.672 191 S HA 0.533 5.018 4.470 0.025 0.000 0.271 191 S C -1.344 173.229 174.600 -0.046 0.000 1.171 191 S CA -0.685 57.548 58.200 0.055 0.000 0.817 191 S CB 2.117 65.479 63.200 0.270 0.000 1.150 191 S HN 0.321 nan 8.310 nan 0.000 0.478 192 D N 0.652 121.050 120.400 -0.003 0.000 2.538 192 D HA 0.362 5.017 4.640 0.025 0.000 0.231 192 D C -0.011 176.291 176.300 0.004 0.000 1.229 192 D CA -0.034 53.955 54.000 -0.020 0.000 0.828 192 D CB 0.225 41.015 40.800 -0.017 0.000 1.035 192 D HN 0.400 nan 8.370 nan 0.000 0.495 193 L N 0.907 122.151 121.223 0.036 0.000 2.453 193 L HA 0.156 4.511 4.340 0.025 0.000 0.261 193 L C 0.636 177.538 176.870 0.053 0.000 1.179 193 L CA -0.531 54.348 54.840 0.065 0.000 0.813 193 L CB 0.583 42.723 42.059 0.135 0.000 1.110 193 L HN -0.204 nan 8.230 nan 0.000 0.466 194 E N 1.041 121.272 120.200 0.052 0.000 2.392 194 E HA -0.015 4.350 4.350 0.025 0.000 0.264 194 E C 1.176 177.821 176.600 0.075 0.000 1.024 194 E CA -0.104 56.323 56.400 0.044 0.000 0.903 194 E CB 0.472 30.193 29.700 0.035 0.000 0.963 194 E HN 0.518 nan 8.360 nan 0.000 0.432 195 I N -0.452 120.154 120.570 0.061 0.000 2.367 195 I HA -0.260 3.925 4.170 0.025 0.000 0.256 195 I C 1.383 177.570 176.117 0.117 0.000 1.132 195 I CA 2.051 63.406 61.300 0.091 0.000 1.397 195 I CB -0.365 37.669 38.000 0.058 0.000 1.074 195 I HN 0.511 nan 8.210 nan 0.000 0.435 196 G N 0.178 109.028 108.800 0.084 0.000 2.492 196 G HA2 -0.150 3.824 3.960 0.025 0.000 0.214 196 G HA3 -0.150 3.824 3.960 0.025 0.000 0.214 196 G C 1.531 176.474 174.900 0.072 0.000 1.147 196 G CA 0.612 45.754 45.100 0.070 0.000 0.809 196 G HN 0.426 nan 8.290 nan 0.000 0.533 197 Q N 0.147 119.994 119.800 0.079 0.000 2.096 197 Q HA -0.039 4.316 4.340 0.025 0.000 0.197 197 Q C 2.095 178.154 176.000 0.099 0.000 0.964 197 Q CA 1.653 57.498 55.803 0.071 0.000 0.838 197 Q CB -0.521 28.253 28.738 0.059 0.000 0.906 197 Q HN 0.651 nan 8.270 nan 0.000 0.444 198 H N 0.091 119.187 119.070 0.044 0.000 2.290 198 H HA -0.058 4.513 4.556 0.025 0.000 0.298 198 H C 2.003 177.372 175.328 0.068 0.000 1.087 198 H CA 2.216 58.300 56.048 0.059 0.000 1.291 198 H CB -0.053 29.742 29.762 0.055 0.000 1.369 198 H HN 0.128 nan 8.280 nan 0.000 0.492 199 R N -0.154 120.394 120.500 0.080 0.000 2.139 199 R HA -0.136 4.218 4.340 0.025 0.000 0.243 199 R C 1.701 177.991 176.300 -0.016 0.000 1.145 199 R CA 1.964 58.076 56.100 0.019 0.000 0.976 199 R CB -0.559 29.786 30.300 0.075 0.000 0.866 199 R HN 0.439 nan 8.270 nan 0.000 0.449 200 T N 1.213 115.771 114.554 0.007 0.000 2.770 200 T HA -0.031 4.334 4.350 0.025 0.000 0.263 200 T C 1.743 176.456 174.700 0.022 0.000 1.039 200 T CA 0.873 62.983 62.100 0.017 0.000 1.142 200 T CB 0.006 68.890 68.868 0.027 0.000 0.868 200 T HN 0.167 nan 8.240 nan 0.000 0.435 201 K N 0.823 121.232 120.400 0.015 0.000 2.057 201 K HA 0.017 4.351 4.320 0.025 0.000 0.207 201 K C 2.170 178.833 176.600 0.105 0.000 1.049 201 K CA 0.887 57.227 56.287 0.089 0.000 0.931 201 K CB -0.625 31.922 32.500 0.078 0.000 0.714 201 K HN 0.251 nan 8.250 nan 0.000 0.440 202 I N 1.577 122.098 120.570 -0.083 0.000 2.179 202 I HA -0.253 3.932 4.170 0.025 0.000 0.242 202 I C 2.439 178.526 176.117 -0.050 0.000 1.088 202 I CA 1.335 62.567 61.300 -0.112 0.000 1.357 202 I CB -0.703 37.182 38.000 -0.192 0.000 1.051 202 I HN 0.221 nan 8.210 nan 0.000 0.409 203 E N 0.759 120.947 120.200 -0.021 0.000 2.097 203 E HA -0.292 4.073 4.350 0.025 0.000 0.196 203 E C 2.161 178.780 176.600 0.031 0.000 1.000 203 E CA 1.955 58.359 56.400 0.006 0.000 0.804 203 E CB -0.316 29.393 29.700 0.016 0.000 0.740 203 E HN 0.536 nan 8.360 nan 0.000 0.454 204 E N -0.084 120.160 120.200 0.073 0.000 2.031 204 E HA -0.198 4.167 4.350 0.025 0.000 0.193 204 E C 2.228 178.908 176.600 0.133 0.000 0.994 204 E CA 1.246 57.730 56.400 0.140 0.000 0.800 204 E CB -0.293 29.548 29.700 0.236 0.000 0.752 204 E HN 0.417 nan 8.360 nan 0.000 0.447 205 L N 0.563 121.776 121.223 -0.017 0.000 2.042 205 L HA -0.229 4.125 4.340 0.025 0.000 0.210 205 L C 2.832 179.644 176.870 -0.097 0.000 1.076 205 L CA 1.378 56.003 54.840 -0.359 0.000 0.749 205 L CB -0.229 41.346 42.059 -0.808 0.000 0.893 205 L HN 0.150 nan 8.230 nan 0.000 0.432 206 R N -0.418 120.046 120.500 -0.061 0.000 2.083 206 R HA -0.229 4.126 4.340 0.025 0.000 0.237 206 R C 2.254 178.571 176.300 0.027 0.000 1.137 206 R CA 1.833 57.920 56.100 -0.020 0.000 0.951 206 R CB -0.136 30.156 30.300 -0.014 0.000 0.851 206 R HN 0.449 nan 8.270 nan 0.000 0.434 207 Q N -1.473 118.360 119.800 0.054 0.000 2.364 207 Q HA -0.175 4.179 4.340 0.025 0.000 0.207 207 Q C 1.695 177.769 176.000 0.123 0.000 0.970 207 Q CA 1.096 56.941 55.803 0.069 0.000 0.888 207 Q CB 0.028 28.804 28.738 0.063 0.000 0.951 207 Q HN 0.596 nan 8.270 nan 0.000 0.469 208 H N -0.018 119.072 119.070 0.033 0.000 2.399 208 H HA 0.032 4.603 4.556 0.025 0.000 0.300 208 H C 1.916 177.328 175.328 0.141 0.000 1.048 208 H CA 0.451 56.551 56.048 0.087 0.000 1.370 208 H CB 0.323 30.163 29.762 0.129 0.000 1.428 208 H HN 0.177 nan 8.280 nan 0.000 0.534 209 L N 0.662 121.903 121.223 0.030 0.000 2.083 209 L HA -0.173 4.182 4.340 0.025 0.000 0.209 209 L C 2.690 179.586 176.870 0.044 0.000 1.083 209 L CA 0.612 55.448 54.840 -0.007 0.000 0.752 209 L CB -0.275 41.765 42.059 -0.031 0.000 0.899 209 L HN 0.312 nan 8.230 nan 0.000 0.433 210 L N -0.508 120.735 121.223 0.034 0.000 2.056 210 L HA -0.172 4.182 4.340 0.025 0.000 0.207 210 L C 2.990 179.862 176.870 0.004 0.000 1.078 210 L CA 0.860 55.716 54.840 0.027 0.000 0.749 210 L CB -0.349 41.722 42.059 0.020 0.000 0.901 210 L HN 0.262 nan 8.230 nan 0.000 0.433 211 R N -0.093 120.391 120.500 -0.027 0.000 2.103 211 R HA -0.245 4.110 4.340 0.025 0.000 0.242 211 R C 1.707 177.859 176.300 -0.248 0.000 1.142 211 R CA 1.927 57.938 56.100 -0.148 0.000 0.960 211 R CB -0.730 29.480 30.300 -0.150 0.000 0.858 211 R HN 0.450 nan 8.270 nan 0.000 0.439 212 W N -0.321 120.922 121.300 -0.095 0.000 3.204 212 W HA 0.119 4.794 4.660 0.025 0.000 0.249 212 W C 1.242 177.726 176.519 -0.057 0.000 1.322 212 W CA 0.491 57.772 57.345 -0.106 0.000 1.593 212 W CB 0.294 29.623 29.460 -0.218 0.000 1.122 212 W HN 0.515 nan 8.180 nan 0.000 0.710 213 G N -0.029 108.863 108.800 0.154 0.000 2.194 213 G HA2 -0.289 3.685 3.960 0.025 0.000 0.236 213 G HA3 -0.289 3.685 3.960 0.025 0.000 0.236 213 G C -0.022 174.940 174.900 0.103 0.000 0.987 213 G CA -0.370 44.804 45.100 0.123 0.000 0.635 213 G HN 0.091 nan 8.290 nan 0.000 0.520 214 L N 2.786 124.068 121.223 0.099 0.000 2.261 214 L HA 0.433 4.788 4.340 0.025 0.000 0.289 214 L C 0.803 177.703 176.870 0.049 0.000 1.059 214 L CA -0.582 54.302 54.840 0.073 0.000 0.816 214 L CB 1.158 43.253 42.059 0.061 0.000 1.191 214 L HN 0.070 nan 8.230 nan 0.000 0.431 215 T N 1.130 115.711 114.554 0.045 0.000 2.926 215 T HA 0.005 4.370 4.350 0.025 0.000 0.307 215 T C 0.516 175.229 174.700 0.022 0.000 1.059 215 T CA -0.100 62.019 62.100 0.031 0.000 1.122 215 T CB 0.931 69.816 68.868 0.029 0.000 0.972 215 T HN 0.568 nan 8.240 nan 0.000 0.545 216 T N 4.371 118.937 114.554 0.019 0.000 2.851 216 T HA 0.245 4.610 4.350 0.025 0.000 0.298 216 T C -2.097 172.616 174.700 0.022 0.000 0.977 216 T CA -1.634 60.477 62.100 0.018 0.000 1.126 216 T CB 0.104 68.984 68.868 0.020 0.000 0.916 216 T HN 0.341 nan 8.240 nan 0.000 0.529 217 P HA 0.192 nan 4.420 nan 0.000 0.275 217 P C -0.376 176.971 177.300 0.079 0.000 1.276 217 P CA -0.431 62.692 63.100 0.038 0.000 0.782 217 P CB 0.399 32.117 31.700 0.029 0.000 0.851 218 D N 3.095 123.567 120.400 0.120 0.000 2.478 218 D HA -0.110 4.545 4.640 0.025 0.000 0.234 218 D C 1.021 177.397 176.300 0.126 0.000 1.154 218 D CA 0.274 54.353 54.000 0.132 0.000 0.874 218 D CB 0.777 41.683 40.800 0.177 0.000 1.198 218 D HN 0.021 nan 8.370 nan 0.000 0.455 219 K N 1.924 122.363 120.400 0.066 0.000 2.665 219 K HA -0.025 4.310 4.320 0.025 0.000 0.196 219 K C 1.002 177.602 176.600 0.000 0.000 1.021 219 K CA 0.625 56.935 56.287 0.039 0.000 1.066 219 K CB 0.038 32.554 32.500 0.028 0.000 0.849 219 K HN 0.225 nan 8.250 nan 0.000 0.500 220 K N -0.865 119.509 120.400 -0.043 0.000 2.190 220 K HA 0.055 4.389 4.320 0.025 0.000 0.202 220 K C 0.365 176.810 176.600 -0.258 0.000 1.045 220 K CA 0.850 57.014 56.287 -0.206 0.000 0.976 220 K CB 0.241 32.508 32.500 -0.388 0.000 0.849 220 K HN 0.299 nan 8.250 nan 0.000 0.468 221 H N 0.715 119.800 119.070 0.024 0.000 2.660 221 H HA 0.185 4.756 4.556 0.025 0.000 0.310 221 H C -0.162 175.186 175.328 0.034 0.000 1.080 221 H CA -0.131 55.934 56.048 0.028 0.000 1.145 221 H CB 0.105 29.880 29.762 0.022 0.000 1.432 221 H HN -0.089 nan 8.280 nan 0.000 0.542 222 Q N 1.855 121.713 119.800 0.097 0.000 2.295 222 Q HA 0.145 4.500 4.340 0.025 0.000 0.259 222 Q C -0.182 175.878 176.000 0.099 0.000 0.976 222 Q CA -0.154 55.703 55.803 0.090 0.000 0.923 222 Q CB 0.981 29.760 28.738 0.069 0.000 1.185 222 Q HN 0.516 nan 8.270 nan 0.000 0.410 223 K N 2.472 122.946 120.400 0.123 0.000 2.249 223 K HA 0.302 4.637 4.320 0.025 0.000 0.280 223 K C 0.038 176.769 176.600 0.217 0.000 1.033 223 K CA -0.378 56.012 56.287 0.173 0.000 0.946 223 K CB 1.136 33.754 32.500 0.198 0.000 1.005 223 K HN 0.352 nan 8.250 nan 0.000 0.469 224 E N 2.318 122.626 120.200 0.180 0.000 2.392 224 E HA 0.368 4.733 4.350 0.025 0.000 0.269 224 E C -2.506 174.025 176.600 -0.114 0.000 0.924 224 E CA -2.147 54.315 56.400 0.103 0.000 0.784 224 E CB 1.397 31.120 29.700 0.038 0.000 1.292 224 E HN 0.417 nan 8.360 nan 0.000 0.447 225 P HA 0.259 nan 4.420 nan 0.000 0.272 225 P C -2.405 174.658 177.300 -0.395 0.000 1.230 225 P CA -1.004 61.631 63.100 -0.776 0.000 0.788 225 P CB -0.578 30.692 31.700 -0.716 0.000 0.949 226 P HA 0.241 nan 4.420 nan 0.000 0.274 226 P C -0.760 176.316 177.300 -0.373 0.000 1.231 226 P CA 0.055 62.806 63.100 -0.583 0.000 0.790 226 P CB 0.124 31.369 31.700 -0.758 0.000 0.951 227 F N 1.183 121.180 119.950 0.078 0.000 2.411 227 F HA 0.238 4.779 4.527 0.024 0.000 0.350 227 F C 0.248 176.197 175.800 0.250 0.000 1.114 227 F CA -0.527 57.588 58.000 0.192 0.000 1.135 227 F CB 0.131 39.261 39.000 0.217 0.000 1.120 227 F HN 0.005 nan 8.300 nan 0.000 0.495 228 L N 4.178 125.666 121.223 0.442 0.000 2.302 228 L HA 0.128 4.483 4.340 0.025 0.000 0.285 228 L C -0.952 176.222 176.870 0.506 0.000 1.090 228 L CA -0.179 54.896 54.840 0.391 0.000 0.866 228 L CB -0.247 41.979 42.059 0.277 0.000 1.244 228 L HN 0.601 nan 8.230 nan 0.000 0.435 229 W N 6.577 128.064 121.300 0.312 0.000 2.363 229 W HA 0.534 5.209 4.660 0.024 0.000 0.314 229 W C -0.430 176.281 176.519 0.320 0.000 0.994 229 W CA -1.806 55.706 57.345 0.278 0.000 1.449 229 W CB 0.655 30.210 29.460 0.159 0.000 1.248 229 W HN 0.487 nan 8.180 nan 0.000 0.409 230 M N 5.548 125.182 119.600 0.056 0.000 3.865 230 M HA -0.028 4.467 4.480 0.025 0.000 0.224 230 M C 1.177 177.428 176.300 -0.082 0.000 1.514 230 M CA 1.818 57.079 55.300 -0.066 0.000 1.048 230 M CB -1.597 30.863 32.600 -0.233 0.000 1.392 230 M HN 0.946 nan 8.290 nan 0.000 0.276 231 G N 0.210 108.974 108.800 -0.059 0.000 2.299 231 G HA2 -0.251 3.723 3.960 0.025 0.000 0.237 231 G HA3 -0.251 3.723 3.960 0.025 0.000 0.237 231 G C -0.239 174.508 174.900 -0.255 0.000 1.027 231 G CA 0.099 45.060 45.100 -0.232 0.000 0.619 231 G HN 1.056 nan 8.290 nan 0.000 0.513 232 Y N 0.013 120.486 120.300 0.288 0.000 2.638 232 Y HA 0.763 5.327 4.550 0.024 0.000 0.339 232 Y C -0.007 176.111 175.900 0.362 0.000 1.084 232 Y CA -1.659 56.656 58.100 0.359 0.000 1.068 232 Y CB 1.021 39.729 38.460 0.413 0.000 1.294 232 Y HN 0.074 nan 8.280 nan 0.000 0.480 233 E N 1.783 122.336 120.200 0.589 0.000 2.182 233 E HA 0.363 4.727 4.350 0.025 0.000 0.258 233 E C -1.490 175.434 176.600 0.540 0.000 0.879 233 E CA -0.799 55.882 56.400 0.468 0.000 0.754 233 E CB 1.492 31.474 29.700 0.470 0.000 1.162 233 E HN 0.275 nan 8.360 nan 0.000 0.419 234 L N 4.450 125.940 121.223 0.444 0.000 2.282 234 L HA 0.272 4.627 4.340 0.025 0.000 0.287 234 L C 0.034 177.096 176.870 0.320 0.000 1.075 234 L CA -0.127 55.003 54.840 0.483 0.000 0.839 234 L CB -0.995 41.355 42.059 0.485 0.000 1.219 234 L HN 0.524 nan 8.230 nan 0.000 0.434 235 H N 4.481 123.719 119.070 0.280 0.000 2.499 235 H HA 0.355 4.926 4.556 0.025 0.000 0.352 235 H C -1.255 174.224 175.328 0.251 0.000 1.237 235 H CA -1.473 54.671 56.048 0.158 0.000 1.343 235 H CB 0.292 30.121 29.762 0.113 0.000 1.578 235 H HN 0.298 nan 8.280 nan 0.000 0.577 236 P HA -0.141 nan 4.420 nan 0.000 0.217 236 P C 0.338 177.795 177.300 0.262 0.000 1.150 236 P CA 1.616 64.825 63.100 0.183 0.000 0.832 236 P CB 0.534 32.289 31.700 0.091 0.000 0.787 237 D N -1.019 119.570 120.400 0.315 0.000 2.392 237 D HA 0.043 4.698 4.640 0.025 0.000 0.206 237 D C 0.688 177.236 176.300 0.413 0.000 1.046 237 D CA 0.291 54.484 54.000 0.321 0.000 0.865 237 D CB 0.382 41.280 40.800 0.163 0.000 0.969 237 D HN 0.253 nan 8.370 nan 0.000 0.509 238 K N -0.417 120.189 120.400 0.343 0.000 2.509 238 K HA 0.385 4.720 4.320 0.025 0.000 0.266 238 K C -1.268 175.362 176.600 0.050 0.000 0.987 238 K CA -1.107 55.194 56.287 0.024 0.000 0.868 238 K CB 1.503 33.959 32.500 -0.075 0.000 1.421 238 K HN -0.012 nan 8.250 nan 0.000 0.444 239 W N 0.721 121.870 121.300 -0.252 0.000 2.819 239 W HA 0.510 5.185 4.660 0.024 0.000 0.337 239 W C -1.210 175.332 176.519 0.038 0.000 1.077 239 W CA -0.902 56.395 57.345 -0.081 0.000 1.226 239 W CB 1.173 30.457 29.460 -0.293 0.000 1.419 239 W HN 0.785 nan 8.180 nan 0.000 0.502 240 T N -0.985 113.760 114.554 0.319 0.000 2.926 240 T HA 0.621 4.986 4.350 0.025 0.000 0.289 240 T C -1.025 173.943 174.700 0.446 0.000 1.054 240 T CA -0.737 61.453 62.100 0.149 0.000 1.015 240 T CB 1.974 70.858 68.868 0.027 0.000 1.167 240 T HN 0.344 nan 8.240 nan 0.000 0.526 241 V N 2.314 122.397 119.914 0.282 0.000 2.350 241 V HA 0.273 4.408 4.120 0.025 0.000 0.276 241 V C 0.556 176.782 176.094 0.220 0.000 1.028 241 V CA -0.722 61.764 62.300 0.309 0.000 0.860 241 V CB 0.927 32.852 31.823 0.170 0.000 0.990 241 V HN 0.904 nan 8.190 nan 0.000 0.453 242 Q N 6.763 126.697 119.800 0.223 0.000 2.308 242 Q HA 0.039 4.394 4.340 0.025 0.000 0.313 242 Q C -1.982 174.127 176.000 0.180 0.000 1.075 242 Q CA -0.784 55.135 55.803 0.193 0.000 0.995 242 Q CB 0.331 29.174 28.738 0.175 0.000 1.107 242 Q HN 0.520 nan 8.270 nan 0.000 0.380 243 P HA 0.006 nan 4.420 nan 0.000 0.267 243 P C -0.901 176.487 177.300 0.146 0.000 1.205 243 P CA 0.313 63.502 63.100 0.149 0.000 0.765 243 P CB 0.432 32.198 31.700 0.110 0.000 0.828 244 I N 4.068 124.735 120.570 0.161 0.000 2.336 244 I HA 0.236 4.421 4.170 0.025 0.000 0.292 244 I C 0.748 176.922 176.117 0.096 0.000 0.991 244 I CA -0.837 60.557 61.300 0.157 0.000 1.227 244 I CB 1.440 39.574 38.000 0.223 0.000 1.366 244 I HN 0.181 nan 8.210 nan 0.000 0.466 245 V N 4.720 124.684 119.914 0.083 0.000 2.732 245 V HA 0.608 4.743 4.120 0.025 0.000 0.310 245 V C -0.505 175.632 176.094 0.072 0.000 1.053 245 V CA -0.831 61.506 62.300 0.062 0.000 0.957 245 V CB 1.841 33.695 31.823 0.051 0.000 1.018 245 V HN 0.401 nan 8.190 nan 0.000 0.452 246 L N 4.969 126.238 121.223 0.076 0.000 2.265 246 L HA 0.523 4.878 4.340 0.025 0.000 0.289 246 L C -2.094 174.852 176.870 0.127 0.000 1.033 246 L CA -1.810 53.103 54.840 0.122 0.000 0.814 246 L CB 0.790 42.929 42.059 0.133 0.000 1.203 246 L HN 0.645 nan 8.230 nan 0.000 0.423 247 P HA 0.140 nan 4.420 nan 0.000 0.273 247 P C -0.233 177.036 177.300 -0.051 0.000 1.319 247 P CA -0.326 62.775 63.100 0.001 0.000 0.885 247 P CB 0.358 32.023 31.700 -0.059 0.000 1.015 248 E N 3.704 123.913 120.200 0.016 0.000 2.343 248 E HA 0.432 4.797 4.350 0.025 0.000 0.269 248 E C -0.518 175.973 176.600 -0.183 0.000 1.047 248 E CA -0.667 55.777 56.400 0.073 0.000 0.874 248 E CB 1.123 30.925 29.700 0.171 0.000 1.033 248 E HN 0.318 nan 8.360 nan 0.000 0.409 249 K N 1.008 121.265 120.400 -0.239 0.000 2.499 249 K HA 0.218 4.553 4.320 0.025 0.000 0.284 249 K C -0.821 175.757 176.600 -0.037 0.000 1.039 249 K CA -0.849 55.244 56.287 -0.323 0.000 0.873 249 K CB 1.256 33.320 32.500 -0.725 0.000 1.545 249 K HN 0.397 nan 8.250 nan 0.000 0.402 250 D N 0.358 120.733 120.400 -0.042 0.000 2.501 250 D HA 0.210 4.865 4.640 0.025 0.000 0.224 250 D C -1.047 175.319 176.300 0.109 0.000 1.202 250 D CA 0.359 54.419 54.000 0.101 0.000 0.829 250 D CB 0.683 41.516 40.800 0.055 0.000 1.023 250 D HN 0.333 nan 8.370 nan 0.000 0.499 251 S N 0.315 116.021 115.700 0.010 0.000 2.614 251 S HA 0.265 4.750 4.470 0.025 0.000 0.259 251 S C -1.450 173.127 174.600 -0.039 0.000 1.118 251 S CA -0.725 57.507 58.200 0.055 0.000 1.065 251 S CB 0.626 63.819 63.200 -0.012 0.000 1.121 251 S HN 0.079 nan 8.310 nan 0.000 0.458 252 W N 2.452 123.751 121.300 -0.002 0.000 2.475 252 W HA 0.549 5.225 4.660 0.026 0.000 0.317 252 W C 0.783 177.302 176.519 -0.001 0.000 1.046 252 W CA -0.680 56.665 57.345 -0.001 0.000 1.215 252 W CB 1.033 30.493 29.460 -0.001 0.000 1.335 252 W HN 0.576 nan 8.180 nan 0.000 0.471 253 T N -1.593 113.073 114.554 0.187 0.000 2.881 253 T HA 0.325 4.689 4.350 0.025 0.000 0.278 253 T C 0.972 175.744 174.700 0.121 0.000 0.982 253 T CA -0.678 61.491 62.100 0.115 0.000 0.989 253 T CB 1.171 70.073 68.868 0.056 0.000 1.058 253 T HN 0.192 nan 8.240 nan 0.000 0.529 254 V N 1.811 121.772 119.914 0.079 0.000 2.220 254 V HA -0.272 3.863 4.120 0.025 0.000 0.250 254 V C 2.805 178.940 176.094 0.069 0.000 1.056 254 V CA 2.582 64.921 62.300 0.064 0.000 1.016 254 V CB -1.366 30.482 31.823 0.042 0.000 0.639 254 V HN 0.981 nan 8.190 nan 0.000 0.446 255 N N -0.353 118.380 118.700 0.055 0.000 2.060 255 N HA -0.256 4.499 4.740 0.025 0.000 0.195 255 N C 1.512 177.066 175.510 0.072 0.000 1.028 255 N CA 1.713 54.792 53.050 0.048 0.000 0.861 255 N CB -0.167 38.337 38.487 0.030 0.000 1.029 255 N HN 0.544 nan 8.380 nan 0.000 0.428 256 D N 0.695 121.156 120.400 0.102 0.000 2.087 256 D HA -0.128 4.527 4.640 0.025 0.000 0.192 256 D C 1.940 178.384 176.300 0.240 0.000 0.993 256 D CA 0.943 55.044 54.000 0.167 0.000 0.828 256 D CB -0.373 40.558 40.800 0.219 0.000 0.968 256 D HN 0.324 nan 8.370 nan 0.000 0.448 257 I N 0.708 121.412 120.570 0.223 0.000 2.286 257 I HA -0.279 3.906 4.170 0.025 0.000 0.248 257 I C 2.439 178.608 176.117 0.087 0.000 1.115 257 I CA 1.067 62.452 61.300 0.142 0.000 1.392 257 I CB -0.255 37.789 38.000 0.074 0.000 1.065 257 I HN 0.038 nan 8.210 nan 0.000 0.418 258 Q N 0.839 120.684 119.800 0.076 0.000 2.016 258 Q HA -0.208 4.147 4.340 0.025 0.000 0.200 258 Q C 2.269 178.304 176.000 0.059 0.000 0.978 258 Q CA 1.403 57.239 55.803 0.055 0.000 0.833 258 Q CB -0.159 28.605 28.738 0.043 0.000 0.895 258 Q HN 0.473 nan 8.270 nan 0.000 0.427 259 K N 0.535 120.974 120.400 0.065 0.000 2.044 259 K HA -0.202 4.133 4.320 0.025 0.000 0.210 259 K C 2.156 178.803 176.600 0.078 0.000 1.049 259 K CA 1.163 57.484 56.287 0.057 0.000 0.927 259 K CB -0.361 32.169 32.500 0.051 0.000 0.713 259 K HN 0.063 nan 8.250 nan 0.000 0.443 260 L N 1.338 122.631 121.223 0.118 0.000 1.944 260 L HA -0.228 4.126 4.340 0.025 0.000 0.218 260 L C 2.155 179.079 176.870 0.090 0.000 1.075 260 L CA 1.631 56.551 54.840 0.134 0.000 0.767 260 L CB -0.693 41.475 42.059 0.182 0.000 0.890 260 L HN -0.063 nan 8.230 nan 0.000 0.434 261 V N 0.468 120.421 119.914 0.065 0.000 2.313 261 V HA -0.355 3.779 4.120 0.025 0.000 0.253 261 V C 2.583 178.720 176.094 0.072 0.000 1.070 261 V CA 2.107 64.437 62.300 0.051 0.000 1.057 261 V CB -1.760 30.083 31.823 0.033 0.000 0.653 261 V HN 0.730 nan 8.190 nan 0.000 0.450 262 G N -0.975 107.868 108.800 0.072 0.000 2.418 262 G HA2 -0.307 3.668 3.960 0.025 0.000 0.217 262 G HA3 -0.307 3.668 3.960 0.025 0.000 0.217 262 G C 1.637 176.609 174.900 0.119 0.000 1.158 262 G CA 1.013 46.161 45.100 0.079 0.000 0.771 262 G HN 0.519 nan 8.290 nan 0.000 0.545 263 K N -0.345 120.122 120.400 0.112 0.000 2.148 263 K HA 0.095 4.430 4.320 0.025 0.000 0.204 263 K C 2.244 178.996 176.600 0.254 0.000 1.050 263 K CA 0.456 56.843 56.287 0.167 0.000 0.942 263 K CB -0.129 32.442 32.500 0.118 0.000 0.724 263 K HN 0.166 nan 8.250 nan 0.000 0.446 264 L N 1.586 122.906 121.223 0.162 0.000 2.179 264 L HA -0.104 4.251 4.340 0.025 0.000 0.208 264 L C 2.171 179.122 176.870 0.135 0.000 1.096 264 L CA 1.266 56.182 54.840 0.126 0.000 0.779 264 L CB -1.342 40.754 42.059 0.061 0.000 0.922 264 L HN 0.413 nan 8.230 nan 0.000 0.443 265 N N -0.052 118.738 118.700 0.149 0.000 2.084 265 N HA -0.248 4.507 4.740 0.025 0.000 0.190 265 N C 1.953 177.578 175.510 0.191 0.000 1.030 265 N CA 1.378 54.512 53.050 0.141 0.000 0.849 265 N CB -0.139 38.427 38.487 0.132 0.000 1.012 265 N HN 0.509 nan 8.380 nan 0.000 0.423 266 W N 2.129 123.461 121.300 0.053 0.000 2.318 266 W HA -0.214 4.462 4.660 0.027 0.000 0.313 266 W C 1.844 178.413 176.519 0.083 0.000 1.221 266 W CA 1.906 59.285 57.345 0.057 0.000 1.266 266 W CB -0.631 28.855 29.460 0.043 0.000 1.150 266 W HN 0.068 nan 8.180 nan 0.000 0.496 267 A N 1.030 123.861 122.820 0.018 0.000 1.978 267 A HA -0.200 4.135 4.320 0.025 0.000 0.220 267 A C 2.048 179.662 177.584 0.050 0.000 1.170 267 A CA 2.149 54.173 52.037 -0.022 0.000 0.636 267 A CB -1.174 17.909 19.000 0.137 0.000 0.810 267 A HN 0.369 nan 8.150 nan 0.000 0.448 268 S N -0.113 115.611 115.700 0.040 0.000 2.440 268 S HA -0.204 4.281 4.470 0.025 0.000 0.240 268 S C 2.050 176.628 174.600 -0.035 0.000 1.014 268 S CA 1.405 59.626 58.200 0.034 0.000 0.980 268 S CB -0.272 62.951 63.200 0.039 0.000 0.775 268 S HN 0.648 nan 8.310 nan 0.000 0.499 269 Q N 0.622 120.351 119.800 -0.118 0.000 1.990 269 Q HA 0.011 4.366 4.340 0.025 0.000 0.200 269 Q C 2.289 178.135 176.000 -0.256 0.000 0.980 269 Q CA 1.081 56.772 55.803 -0.186 0.000 0.832 269 Q CB -0.686 27.918 28.738 -0.223 0.000 0.897 269 Q HN 0.615 nan 8.270 nan 0.000 0.427 270 I N -0.841 119.528 120.570 -0.335 0.000 3.111 270 I HA -0.124 4.061 4.170 0.025 0.000 0.272 270 I C -0.311 175.439 176.117 -0.611 0.000 1.268 270 I CA 0.622 61.646 61.300 -0.461 0.000 1.467 270 I CB 0.159 37.847 38.000 -0.521 0.000 1.087 270 I HN -0.024 nan 8.210 nan 0.000 0.467 271 Y N 0.689 120.901 120.300 -0.146 0.000 2.705 271 Y HA 0.438 5.001 4.550 0.023 0.000 0.355 271 Y C -1.970 173.872 175.900 -0.097 0.000 1.039 271 Y CA -2.561 55.475 58.100 -0.107 0.000 1.233 271 Y CB 0.474 38.883 38.460 -0.085 0.000 1.103 271 Y HN 0.017 nan 8.280 nan 0.000 0.624 272 P HA -0.105 nan 4.420 nan 0.000 0.229 272 P C 1.345 178.649 177.300 0.006 0.000 1.150 272 P CA 1.334 64.422 63.100 -0.020 0.000 0.765 272 P CB 0.388 32.050 31.700 -0.063 0.000 0.783 273 G N -1.429 107.392 108.800 0.035 0.000 3.337 273 G HA2 0.101 4.076 3.960 0.025 0.000 0.246 273 G HA3 0.101 4.076 3.960 0.025 0.000 0.246 273 G C 0.273 175.175 174.900 0.003 0.000 1.131 273 G CA -0.089 45.019 45.100 0.014 0.000 0.773 273 G HN 0.090 nan 8.290 nan 0.000 0.544 274 I N 1.637 122.216 120.570 0.016 0.000 2.471 274 I HA 0.289 4.474 4.170 0.025 0.000 0.286 274 I C -0.122 175.991 176.117 -0.006 0.000 1.079 274 I CA -0.224 61.072 61.300 -0.007 0.000 1.398 274 I CB 0.944 38.952 38.000 0.012 0.000 1.403 274 I HN -0.097 nan 8.210 nan 0.000 0.530 275 K N 5.592 125.980 120.400 -0.020 0.000 2.259 275 K HA 0.533 4.868 4.320 0.025 0.000 0.249 275 K C 0.258 176.844 176.600 -0.022 0.000 0.942 275 K CA -0.459 55.817 56.287 -0.019 0.000 0.816 275 K CB 3.027 35.511 32.500 -0.027 0.000 1.155 275 K HN 0.444 nan 8.250 nan 0.000 0.428 276 V N -0.505 119.399 119.914 -0.016 0.000 3.415 276 V HA 0.221 4.355 4.120 0.025 0.000 0.315 276 V C 1.273 177.353 176.094 -0.023 0.000 1.516 276 V CA -0.194 62.094 62.300 -0.020 0.000 1.122 276 V CB 0.268 32.090 31.823 -0.002 0.000 0.988 276 V HN 0.648 nan 8.190 nan 0.000 0.474 277 R N 0.168 120.654 120.500 -0.023 0.000 2.094 277 R HA -0.194 4.161 4.340 0.025 0.000 0.239 277 R C 2.259 178.541 176.300 -0.030 0.000 1.137 277 R CA 2.692 58.779 56.100 -0.022 0.000 0.943 277 R CB -0.234 30.053 30.300 -0.022 0.000 0.850 277 R HN 0.545 nan 8.270 nan 0.000 0.433 278 Q N 0.027 119.802 119.800 -0.042 0.000 2.016 278 Q HA -0.013 4.342 4.340 0.025 0.000 0.200 278 Q C 0.641 176.602 176.000 -0.066 0.000 0.978 278 Q CA 0.969 56.740 55.803 -0.053 0.000 0.833 278 Q CB -0.077 28.623 28.738 -0.062 0.000 0.895 278 Q HN 0.058 nan 8.270 nan 0.000 0.427 282 L N 2.134 123.340 121.223 -0.027 0.000 2.642 282 L HA -0.007 4.348 4.340 0.025 0.000 0.236 282 L C 1.425 178.292 176.870 -0.005 0.000 1.169 282 L CA 0.965 55.792 54.840 -0.022 0.000 0.851 282 L CB -0.372 41.664 42.059 -0.039 0.000 0.968 282 L HN 0.248 nan 8.230 nan 0.000 0.453 283 L N -1.114 120.107 121.223 -0.002 0.000 2.249 283 L HA 0.091 4.446 4.340 0.025 0.000 0.207 283 L C 1.173 178.046 176.870 0.006 0.000 1.090 283 L CA 0.492 55.336 54.840 0.006 0.000 0.802 283 L CB -0.523 41.541 42.059 0.009 0.000 0.947 283 L HN 0.131 nan 8.230 nan 0.000 0.453 284 R N 0.828 121.330 120.500 0.002 0.000 2.730 284 R HA 0.061 4.416 4.340 0.025 0.000 0.327 284 R C 1.145 177.448 176.300 0.005 0.000 0.825 284 R CA 0.838 56.940 56.100 0.003 0.000 1.130 284 R CB -0.850 29.450 30.300 -0.000 0.000 0.883 284 R HN 0.447 nan 8.270 nan 0.000 0.407 285 G N 2.685 111.489 108.800 0.007 0.000 2.198 285 G HA2 -0.349 3.626 3.960 0.025 0.000 0.260 285 G HA3 -0.349 3.626 3.960 0.025 0.000 0.260 285 G C 0.442 175.347 174.900 0.009 0.000 1.025 285 G CA 0.476 45.580 45.100 0.007 0.000 0.769 285 G HN 0.746 nan 8.290 nan 0.000 0.507 286 T N -1.904 112.657 114.554 0.011 0.000 2.716 286 T HA 0.364 4.729 4.350 0.025 0.000 0.335 286 T C 1.294 176.002 174.700 0.013 0.000 1.081 286 T CA 0.890 62.998 62.100 0.014 0.000 1.073 286 T CB 0.980 69.858 68.868 0.017 0.000 0.993 286 T HN 0.955 nan 8.240 nan 0.000 0.547 287 K N -1.108 119.301 120.400 0.014 0.000 2.517 287 K HA 0.614 4.948 4.320 0.025 0.000 0.210 287 K C -0.082 176.526 176.600 0.013 0.000 1.166 287 K CA -0.339 55.956 56.287 0.013 0.000 1.030 287 K CB 0.786 33.294 32.500 0.012 0.000 0.974 287 K HN 0.877 nan 8.250 nan 0.000 0.585 288 A N 0.756 123.585 122.820 0.015 0.000 2.601 288 A HA 0.243 4.578 4.320 0.025 0.000 0.303 288 A C -0.065 177.529 177.584 0.018 0.000 1.004 288 A CA -0.796 51.249 52.037 0.014 0.000 0.742 288 A CB 0.010 19.017 19.000 0.013 0.000 1.250 288 A HN 0.109 nan 8.150 nan 0.000 0.406 289 L N 0.890 122.123 121.223 0.017 0.000 2.191 289 L HA -0.124 4.231 4.340 0.025 0.000 0.212 289 L C 2.725 179.609 176.870 0.022 0.000 1.103 289 L CA 2.062 56.915 54.840 0.021 0.000 0.769 289 L CB -0.640 41.429 42.059 0.017 0.000 0.908 289 L HN 1.010 nan 8.230 nan 0.000 0.438 290 T N -3.256 111.308 114.554 0.017 0.000 3.035 290 T HA -0.149 4.216 4.350 0.025 0.000 0.268 290 T C 0.849 175.561 174.700 0.020 0.000 1.109 290 T CA 0.001 62.109 62.100 0.014 0.000 1.119 290 T CB -0.304 68.570 68.868 0.009 0.000 0.900 290 T HN 0.331 nan 8.240 nan 0.000 0.503 291 E N 1.421 121.635 120.200 0.024 0.000 2.465 291 E HA 0.160 4.525 4.350 0.025 0.000 0.260 291 E C -0.959 175.665 176.600 0.040 0.000 0.980 291 E CA -0.290 56.127 56.400 0.028 0.000 0.927 291 E CB 0.524 30.239 29.700 0.026 0.000 0.934 291 E HN 0.160 nan 8.360 nan 0.000 0.459 292 V N 6.924 126.863 119.914 0.042 0.000 2.407 292 V HA 0.319 4.454 4.120 0.025 0.000 0.278 292 V C 0.298 176.431 176.094 0.065 0.000 1.037 292 V CA -0.413 61.923 62.300 0.060 0.000 0.900 292 V CB 0.915 32.768 31.823 0.050 0.000 0.983 292 V HN 0.549 nan 8.190 nan 0.000 0.459 293 I N 7.086 127.710 120.570 0.089 0.000 2.474 293 I HA 0.468 4.652 4.170 0.025 0.000 0.294 293 I C -2.351 173.814 176.117 0.079 0.000 1.005 293 I CA -1.987 59.354 61.300 0.069 0.000 1.113 293 I CB 2.856 40.885 38.000 0.049 0.000 1.289 293 I HN 0.439 nan 8.210 nan 0.000 0.436 294 P HA 0.305 nan 4.420 nan 0.000 0.297 294 P C -0.905 176.386 177.300 -0.016 0.000 1.319 294 P CA -0.607 62.514 63.100 0.035 0.000 0.810 294 P CB 1.431 33.148 31.700 0.029 0.000 0.947 295 L N 3.375 124.561 121.223 -0.062 0.000 2.485 295 L HA 0.134 4.489 4.340 0.025 0.000 0.275 295 L C 1.859 178.683 176.870 -0.076 0.000 1.207 295 L CA 0.816 55.582 54.840 -0.123 0.000 0.855 295 L CB -0.370 41.554 42.059 -0.225 0.000 1.114 295 L HN 0.515 nan 8.230 nan 0.000 0.485 296 T N -1.139 113.370 114.554 -0.075 0.000 2.652 296 T HA 0.045 4.409 4.350 0.025 0.000 0.319 296 T C 1.032 175.700 174.700 -0.054 0.000 1.029 296 T CA -0.014 62.055 62.100 -0.052 0.000 0.990 296 T CB 0.374 69.213 68.868 -0.047 0.000 1.098 296 T HN 0.709 nan 8.240 nan 0.000 0.520 297 E N 0.179 120.355 120.200 -0.040 0.000 2.046 297 E HA -0.154 4.211 4.350 0.025 0.000 0.190 297 E C 1.996 178.569 176.600 -0.046 0.000 0.982 297 E CA 1.061 57.439 56.400 -0.037 0.000 0.800 297 E CB -0.114 29.570 29.700 -0.026 0.000 0.756 297 E HN 0.744 nan 8.360 nan 0.000 0.449 298 E N 0.623 120.796 120.200 -0.045 0.000 2.110 298 E HA -0.166 4.199 4.350 0.025 0.000 0.193 298 E C 1.771 178.332 176.600 -0.065 0.000 0.988 298 E CA 1.231 57.602 56.400 -0.048 0.000 0.804 298 E CB -0.320 29.356 29.700 -0.041 0.000 0.745 298 E HN 0.378 nan 8.360 nan 0.000 0.458 299 A N 0.825 123.596 122.820 -0.082 0.000 1.898 299 A HA -0.207 4.128 4.320 0.025 0.000 0.216 299 A C 2.182 179.682 177.584 -0.141 0.000 1.181 299 A CA 1.664 53.631 52.037 -0.116 0.000 0.620 299 A CB -0.484 18.433 19.000 -0.138 0.000 0.819 299 A HN 0.192 nan 8.150 nan 0.000 0.442 300 E N -0.162 119.963 120.200 -0.126 0.000 2.085 300 E HA -0.179 4.186 4.350 0.025 0.000 0.194 300 E C 1.795 178.343 176.600 -0.087 0.000 0.994 300 E CA 1.320 57.650 56.400 -0.118 0.000 0.801 300 E CB -0.391 29.263 29.700 -0.076 0.000 0.743 300 E HN 0.508 nan 8.360 nan 0.000 0.453 301 L N 0.837 122.019 121.223 -0.069 0.000 1.961 301 L HA -0.194 4.161 4.340 0.025 0.000 0.210 301 L C 2.430 179.264 176.870 -0.061 0.000 1.072 301 L CA 2.477 57.285 54.840 -0.053 0.000 0.749 301 L CB -0.635 41.397 42.059 -0.044 0.000 0.889 301 L HN 0.270 nan 8.230 nan 0.000 0.432 302 E N -0.601 119.558 120.200 -0.069 0.000 2.065 302 E HA -0.337 4.027 4.350 0.025 0.000 0.201 302 E C 2.212 178.763 176.600 -0.082 0.000 1.016 302 E CA 2.163 58.520 56.400 -0.071 0.000 0.818 302 E CB -0.392 29.263 29.700 -0.076 0.000 0.749 302 E HN 0.426 nan 8.360 nan 0.000 0.453 303 L N 0.956 122.112 121.223 -0.111 0.000 1.990 303 L HA -0.203 4.151 4.340 0.025 0.000 0.213 303 L C 2.352 179.178 176.870 -0.073 0.000 1.072 303 L CA 2.498 57.266 54.840 -0.119 0.000 0.755 303 L CB -1.118 40.826 42.059 -0.192 0.000 0.889 303 L HN 0.266 nan 8.230 nan 0.000 0.432 304 A N -0.421 122.362 122.820 -0.061 0.000 1.869 304 A HA -0.323 4.012 4.320 0.025 0.000 0.218 304 A C 2.056 179.615 177.584 -0.041 0.000 1.203 304 A CA 2.283 54.297 52.037 -0.037 0.000 0.638 304 A CB -0.957 18.024 19.000 -0.031 0.000 0.831 304 A HN 0.672 nan 8.150 nan 0.000 0.450 305 E N -0.002 120.170 120.200 -0.046 0.000 2.070 305 E HA -0.244 4.120 4.350 0.025 0.000 0.197 305 E C 1.800 178.362 176.600 -0.064 0.000 1.004 305 E CA 1.354 57.725 56.400 -0.048 0.000 0.805 305 E CB -0.398 29.275 29.700 -0.046 0.000 0.744 305 E HN 0.587 nan 8.360 nan 0.000 0.451 306 N N 0.812 119.469 118.700 -0.071 0.000 2.205 306 N HA -0.139 4.616 4.740 0.025 0.000 0.186 306 N C 1.632 177.075 175.510 -0.111 0.000 1.015 306 N CA 0.978 53.970 53.050 -0.096 0.000 0.862 306 N CB -0.198 38.241 38.487 -0.079 0.000 0.986 306 N HN 0.196 nan 8.380 nan 0.000 0.429 307 R N 0.571 121.029 120.500 -0.070 0.000 2.073 307 R HA -0.075 4.280 4.340 0.025 0.000 0.234 307 R C 1.930 178.188 176.300 -0.070 0.000 1.134 307 R CA 1.073 57.141 56.100 -0.053 0.000 0.952 307 R CB -0.178 30.112 30.300 -0.017 0.000 0.850 307 R HN 0.155 nan 8.270 nan 0.000 0.433 308 E N 1.022 121.185 120.200 -0.062 0.000 2.031 308 E HA -0.166 4.199 4.350 0.025 0.000 0.193 308 E C 1.797 178.349 176.600 -0.080 0.000 0.994 308 E CA 1.008 57.375 56.400 -0.054 0.000 0.800 308 E CB -0.239 29.438 29.700 -0.039 0.000 0.752 308 E HN 0.249 nan 8.360 nan 0.000 0.447 309 I N 0.184 120.685 120.570 -0.115 0.000 2.208 309 I HA -0.272 3.913 4.170 0.025 0.000 0.245 309 I C 1.672 177.590 176.117 -0.333 0.000 1.097 309 I CA 1.198 62.403 61.300 -0.158 0.000 1.363 309 I CB 0.010 37.913 38.000 -0.161 0.000 1.051 309 I HN 0.139 nan 8.210 nan 0.000 0.413 310 L N 0.666 121.629 121.223 -0.434 0.000 2.450 310 L HA -0.185 4.169 4.340 0.025 0.000 0.224 310 L C 2.321 179.079 176.870 -0.187 0.000 1.149 310 L CA 0.816 55.327 54.840 -0.548 0.000 0.816 310 L CB -0.650 41.208 42.059 -0.334 0.000 0.932 310 L HN 0.275 nan 8.230 nan 0.000 0.449 311 K N 0.830 121.174 120.400 -0.094 0.000 2.098 311 K HA -0.065 4.269 4.320 0.025 0.000 0.203 311 K C 0.594 177.222 176.600 0.047 0.000 1.051 311 K CA 0.444 56.726 56.287 -0.007 0.000 0.957 311 K CB -0.032 32.463 32.500 -0.008 0.000 0.738 311 K HN -0.098 nan 8.250 nan 0.000 0.447 312 E N 2.237 122.473 120.200 0.059 0.000 2.694 312 E HA -0.026 4.339 4.350 0.025 0.000 0.250 312 E C -2.391 174.316 176.600 0.177 0.000 0.963 312 E CA -1.550 54.916 56.400 0.110 0.000 0.949 312 E CB 0.135 29.905 29.700 0.116 0.000 0.911 312 E HN 0.105 nan 8.360 nan 0.000 0.500 313 P HA -0.066 nan 4.420 nan 0.000 0.256 313 P C -0.940 176.468 177.300 0.179 0.000 1.189 313 P CA 0.112 63.276 63.100 0.108 0.000 0.808 313 P CB 0.144 31.861 31.700 0.028 0.000 0.793 314 V N 3.095 123.085 119.914 0.128 0.000 2.483 314 V HA 0.797 4.932 4.120 0.025 0.000 0.295 314 V C -0.054 176.024 176.094 -0.027 0.000 1.035 314 V CA -0.413 61.871 62.300 -0.027 0.000 0.896 314 V CB 1.541 33.191 31.823 -0.287 0.000 0.986 314 V HN 0.724 nan 8.190 nan 0.000 0.447 315 H N 2.193 120.975 119.070 -0.480 0.000 2.863 315 H HA 0.840 5.412 4.556 0.026 0.000 0.274 315 H C -0.443 174.239 175.328 -1.076 0.000 1.457 315 H CA -0.396 55.141 56.048 -0.852 0.000 1.151 315 H CB 1.358 30.775 29.762 -0.574 0.000 1.844 315 H HN 1.193 nan 8.280 nan 0.000 0.562 316 G N -0.344 107.515 108.800 -1.567 0.000 2.677 316 G HA2 0.468 4.443 3.960 0.025 0.000 0.291 316 G HA3 0.468 4.443 3.960 0.025 0.000 0.291 316 G C -1.327 173.199 174.900 -0.624 0.000 1.435 316 G CA -0.080 44.434 45.100 -0.977 0.000 0.826 316 G HN 0.523 nan 8.290 nan 0.000 0.491 317 V N -0.435 119.401 119.914 -0.129 0.000 3.441 317 V HA 0.667 4.801 4.120 0.025 0.000 0.300 317 V C -0.100 176.104 176.094 0.183 0.000 1.062 317 V CA -0.493 61.818 62.300 0.018 0.000 1.064 317 V CB 1.059 32.937 31.823 0.092 0.000 1.197 317 V HN 0.620 nan 8.190 nan 0.000 0.451 318 Y N 0.517 120.999 120.300 0.303 0.000 2.564 318 Y HA 0.387 4.952 4.550 0.026 0.000 0.347 318 Y C -0.500 175.582 175.900 0.303 0.000 1.284 318 Y CA -0.017 58.264 58.100 0.301 0.000 1.449 318 Y CB 0.288 38.868 38.460 0.201 0.000 1.606 318 Y HN 0.552 nan 8.280 nan 0.000 0.594 319 Y N 1.792 122.301 120.300 0.349 0.000 2.383 319 Y HA 0.229 4.794 4.550 0.024 0.000 0.344 319 Y C -0.781 175.188 175.900 0.116 0.000 0.986 319 Y CA -1.684 56.545 58.100 0.214 0.000 1.175 319 Y CB 0.181 38.828 38.460 0.312 0.000 1.152 319 Y HN 0.428 nan 8.280 nan 0.000 0.511 320 D N 8.419 128.567 120.400 -0.419 0.000 2.443 320 D HA 0.337 4.992 4.640 0.025 0.000 0.221 320 D C -2.228 173.604 176.300 -0.780 0.000 1.097 320 D CA -2.627 51.108 54.000 -0.440 0.000 0.865 320 D CB 1.812 42.504 40.800 -0.180 0.000 1.034 320 D HN 0.285 nan 8.370 nan 0.000 0.511 321 P HA -0.113 nan 4.420 nan 0.000 0.223 321 P C 0.983 178.130 177.300 -0.256 0.000 1.144 321 P CA 0.847 63.599 63.100 -0.581 0.000 0.783 321 P CB 0.148 31.678 31.700 -0.284 0.000 0.771 322 S N -2.488 113.085 115.700 -0.211 0.000 2.607 322 S HA 0.063 4.548 4.470 0.025 0.000 0.224 322 S C 0.724 175.264 174.600 -0.100 0.000 0.969 322 S CA 0.309 58.438 58.200 -0.118 0.000 0.927 322 S CB -0.540 62.605 63.200 -0.091 0.000 0.772 322 S HN 0.089 nan 8.310 nan 0.000 0.533 323 K N 1.070 121.395 120.400 -0.126 0.000 2.395 323 K HA 0.385 4.720 4.320 0.025 0.000 0.247 323 K C -1.429 175.123 176.600 -0.079 0.000 0.973 323 K CA -0.911 55.324 56.287 -0.087 0.000 0.828 323 K CB 1.085 33.541 32.500 -0.073 0.000 1.272 323 K HN 0.162 nan 8.250 nan 0.000 0.439 324 D N 1.011 121.361 120.400 -0.084 0.000 2.419 324 D HA 0.034 4.688 4.640 0.025 0.000 0.236 324 D C -0.424 175.768 176.300 -0.179 0.000 1.165 324 D CA 0.092 54.022 54.000 -0.117 0.000 0.882 324 D CB 0.604 41.327 40.800 -0.128 0.000 1.201 324 D HN 0.105 nan 8.370 nan 0.000 0.443 325 L N 2.163 123.239 121.223 -0.246 0.000 2.277 325 L HA 0.417 4.772 4.340 0.025 0.000 0.284 325 L C -0.907 175.675 176.870 -0.480 0.000 1.028 325 L CA -0.477 54.115 54.840 -0.413 0.000 0.835 325 L CB 0.262 42.052 42.059 -0.449 0.000 1.215 325 L HN 0.315 nan 8.230 nan 0.000 0.425 326 I N 3.461 123.658 120.570 -0.621 0.000 2.493 326 I HA 0.654 4.839 4.170 0.025 0.000 0.298 326 I C -0.127 175.529 176.117 -0.768 0.000 0.998 326 I CA -0.581 60.305 61.300 -0.690 0.000 1.137 326 I CB 2.117 39.672 38.000 -0.740 0.000 1.310 326 I HN 0.563 nan 8.210 nan 0.000 0.445 327 A N 4.869 127.351 122.820 -0.562 0.000 2.381 327 A HA 0.599 4.934 4.320 0.025 0.000 0.299 327 A C -0.987 176.557 177.584 -0.066 0.000 1.049 327 A CA -0.495 51.341 52.037 -0.334 0.000 0.715 327 A CB 1.525 20.233 19.000 -0.487 0.000 1.222 327 A HN 0.752 nan 8.150 nan 0.000 0.428 328 E N 2.386 122.653 120.200 0.112 0.000 2.199 328 E HA 0.686 5.051 4.350 0.025 0.000 0.269 328 E C -1.360 175.360 176.600 0.201 0.000 0.899 328 E CA -0.504 55.995 56.400 0.165 0.000 0.772 328 E CB 1.325 31.123 29.700 0.163 0.000 1.155 328 E HN 0.644 nan 8.360 nan 0.000 0.408 329 I N 2.978 123.663 120.570 0.192 0.000 2.569 329 I HA 0.284 4.469 4.170 0.025 0.000 0.296 329 I C -0.776 175.459 176.117 0.196 0.000 1.028 329 I CA -0.844 60.586 61.300 0.216 0.000 1.082 329 I CB 1.999 40.110 38.000 0.185 0.000 1.264 329 I HN 0.444 nan 8.210 nan 0.000 0.429 330 Q N 4.186 124.113 119.800 0.211 0.000 2.413 330 Q HA 0.442 4.796 4.340 0.025 0.000 0.276 330 Q C -0.909 175.188 176.000 0.161 0.000 1.099 330 Q CA -0.863 55.027 55.803 0.144 0.000 0.814 330 Q CB 2.601 31.369 28.738 0.050 0.000 1.379 330 Q HN 0.327 nan 8.270 nan 0.000 0.436 331 K N 1.727 122.112 120.400 -0.025 0.000 2.263 331 K HA 0.141 4.475 4.320 0.025 0.000 0.272 331 K C -0.069 176.343 176.600 -0.313 0.000 1.033 331 K CA -0.105 55.895 56.287 -0.478 0.000 0.884 331 K CB 0.748 32.783 32.500 -0.775 0.000 1.107 331 K HN 0.769 nan 8.250 nan 0.000 0.460 332 Q N 2.412 122.033 119.800 -0.299 0.000 2.246 332 Q HA 0.248 4.603 4.340 0.025 0.000 0.202 332 Q C 0.213 176.105 176.000 -0.179 0.000 0.883 332 Q CA -0.325 55.373 55.803 -0.174 0.000 0.952 332 Q CB 0.637 29.311 28.738 -0.107 0.000 1.078 332 Q HN 0.703 nan 8.270 nan 0.000 0.493 333 G N 0.527 109.167 108.800 -0.268 0.000 2.336 333 G HA2 -0.049 3.925 3.960 0.025 0.000 0.300 333 G HA3 -0.049 3.925 3.960 0.025 0.000 0.300 333 G C -2.018 172.730 174.900 -0.254 0.000 1.375 333 G CA -1.038 43.949 45.100 -0.189 0.000 0.885 333 G HN 0.185 nan 8.290 nan 0.000 0.599 334 Q N -0.033 119.686 119.800 -0.136 0.000 2.247 334 Q HA 0.407 4.762 4.340 0.025 0.000 0.288 334 Q C 1.378 177.325 176.000 -0.088 0.000 1.079 334 Q CA 1.612 57.361 55.803 -0.089 0.000 0.932 334 Q CB 0.050 28.767 28.738 -0.036 0.000 1.133 334 Q HN 2.476 nan 8.270 nan 0.000 0.377 335 G N 3.408 112.174 108.800 -0.056 0.000 2.160 335 G HA2 -0.289 3.686 3.960 0.025 0.000 0.251 335 G HA3 -0.289 3.686 3.960 0.025 0.000 0.251 335 G C -0.600 174.333 174.900 0.055 0.000 1.008 335 G CA 0.602 45.769 45.100 0.112 0.000 0.724 335 G HN 0.689 nan 8.290 nan 0.000 0.514 336 Q N -1.841 117.763 119.800 -0.327 0.000 2.289 336 Q HA 0.696 5.051 4.340 0.025 0.000 0.270 336 Q C -1.210 174.481 176.000 -0.515 0.000 1.038 336 Q CA -1.195 54.506 55.803 -0.169 0.000 0.812 336 Q CB 1.595 30.281 28.738 -0.086 0.000 1.300 336 Q HN 0.315 nan 8.270 nan 0.000 0.427 337 W N 0.815 122.168 121.300 0.088 0.000 3.033 337 W HA 0.618 5.296 4.660 0.030 0.000 0.336 337 W C -0.715 175.824 176.519 0.033 0.000 1.173 337 W CA -0.608 56.783 57.345 0.076 0.000 1.185 337 W CB 2.188 31.729 29.460 0.136 0.000 1.425 337 W HN 0.622 nan 8.180 nan 0.000 0.536 338 T N -0.312 114.377 114.554 0.225 0.000 2.841 338 T HA 0.772 5.137 4.350 0.025 0.000 0.283 338 T C -1.202 173.577 174.700 0.133 0.000 1.000 338 T CA -0.719 61.415 62.100 0.058 0.000 0.977 338 T CB 1.355 70.202 68.868 -0.034 0.000 0.979 338 T HN 0.426 nan 8.240 nan 0.000 0.446 339 Y N 0.114 120.387 120.300 -0.046 0.000 2.576 339 Y HA 0.791 5.355 4.550 0.023 0.000 0.346 339 Y C -0.960 174.933 175.900 -0.011 0.000 1.018 339 Y CA -1.376 56.717 58.100 -0.011 0.000 1.050 339 Y CB 1.830 40.276 38.460 -0.023 0.000 1.280 339 Y HN 0.728 nan 8.280 nan 0.000 0.474 340 Q N 2.968 122.864 119.800 0.159 0.000 2.334 340 Q HA 0.422 4.777 4.340 0.025 0.000 0.249 340 Q C -1.902 174.249 176.000 0.252 0.000 0.909 340 Q CA -0.471 55.400 55.803 0.113 0.000 0.823 340 Q CB 1.561 30.305 28.738 0.011 0.000 1.353 340 Q HN 0.956 nan 8.270 nan 0.000 0.433 341 I N 4.261 124.959 120.570 0.214 0.000 2.365 341 I HA 0.528 4.713 4.170 0.025 0.000 0.291 341 I C -0.600 175.538 176.117 0.035 0.000 1.004 341 I CA -0.838 60.467 61.300 0.007 0.000 1.311 341 I CB 0.456 38.479 38.000 0.038 0.000 1.401 341 I HN 0.661 nan 8.210 nan 0.000 0.491 342 Y N 2.656 122.876 120.300 -0.133 0.000 2.624 342 Y HA 0.392 4.956 4.550 0.024 0.000 0.334 342 Y C -0.142 175.674 175.900 -0.140 0.000 1.155 342 Y CA -1.032 57.004 58.100 -0.106 0.000 1.046 342 Y CB 0.916 39.321 38.460 -0.092 0.000 1.316 342 Y HN 0.438 nan 8.280 nan 0.000 0.457 343 Q N 0.629 120.407 119.800 -0.036 0.000 2.304 343 Q HA 0.199 4.553 4.340 0.025 0.000 0.204 343 Q C -0.593 175.451 176.000 0.073 0.000 0.936 343 Q CA 0.661 56.420 55.803 -0.074 0.000 0.878 343 Q CB 0.721 29.446 28.738 -0.022 0.000 0.983 343 Q HN 0.776 nan 8.270 nan 0.000 0.516 344 E N 1.198 121.509 120.200 0.185 0.000 2.202 344 E HA 0.312 4.677 4.350 0.025 0.000 0.272 344 E C -2.592 174.153 176.600 0.242 0.000 0.951 344 E CA -2.381 54.127 56.400 0.180 0.000 0.813 344 E CB 1.607 31.370 29.700 0.106 0.000 1.151 344 E HN -0.084 nan 8.360 nan 0.000 0.398 345 P HA -0.032 nan 4.420 nan 0.000 0.265 345 P C -0.528 176.725 177.300 -0.077 0.000 1.193 345 P CA 0.527 63.500 63.100 -0.212 0.000 0.765 345 P CB 0.163 31.822 31.700 -0.069 0.000 0.823 346 F N -0.213 119.496 119.950 -0.402 0.000 2.549 346 F HA -0.272 4.270 4.527 0.025 0.000 0.616 346 F C 0.955 176.635 175.800 -0.198 0.000 0.500 346 F CA 1.294 59.133 58.000 -0.270 0.000 0.948 346 F CB -1.354 37.538 39.000 -0.179 0.000 1.754 346 F HN 0.299 nan 8.300 nan 0.000 0.260 347 K N 2.770 123.195 120.400 0.041 0.000 2.155 347 K HA 0.164 4.499 4.320 0.025 0.000 0.240 347 K C -0.201 176.442 176.600 0.072 0.000 1.193 347 K CA 0.055 56.367 56.287 0.041 0.000 1.104 347 K CB -0.660 31.888 32.500 0.080 0.000 1.558 347 K HN 0.275 nan 8.250 nan 0.000 0.313 348 N N 2.491 121.190 118.700 -0.002 0.000 2.497 348 N HA 0.052 4.806 4.740 0.025 0.000 0.268 348 N C 1.293 176.878 175.510 0.126 0.000 1.171 348 N CA 0.012 53.105 53.050 0.073 0.000 0.948 348 N CB 1.177 39.644 38.487 -0.034 0.000 1.069 348 N HN 0.249 nan 8.380 nan 0.000 0.460 349 L N 1.838 123.204 121.223 0.239 0.000 2.102 349 L HA 0.004 4.359 4.340 0.025 0.000 0.202 349 L C 0.891 178.106 176.870 0.575 0.000 1.076 349 L CA 1.026 56.103 54.840 0.396 0.000 0.761 349 L CB -0.118 42.139 42.059 0.330 0.000 0.921 349 L HN 0.606 nan 8.230 nan 0.000 0.444 350 K N -0.885 119.779 120.400 0.440 0.000 2.597 350 K HA 0.438 4.773 4.320 0.025 0.000 0.282 350 K C -0.890 175.833 176.600 0.206 0.000 0.975 350 K CA -0.688 55.866 56.287 0.445 0.000 0.867 350 K CB 1.895 34.707 32.500 0.520 0.000 1.465 350 K HN -0.062 nan 8.250 nan 0.000 0.417 351 T N -1.838 112.736 114.554 0.034 0.000 2.742 351 T HA 0.943 5.307 4.350 0.025 0.000 0.282 351 T C 0.159 174.494 174.700 -0.608 0.000 1.025 351 T CA -0.350 61.590 62.100 -0.267 0.000 1.020 351 T CB 1.657 70.377 68.868 -0.246 0.000 1.317 351 T HN 1.257 nan 8.240 nan 0.000 0.538 352 G N -0.167 107.988 108.800 -1.074 0.000 2.317 352 G HA2 0.540 4.515 3.960 0.025 0.000 0.293 352 G HA3 0.540 4.515 3.960 0.025 0.000 0.293 352 G C -2.196 172.163 174.900 -0.901 0.000 1.287 352 G CA -0.559 43.935 45.100 -1.010 0.000 0.850 352 G HN 1.078 nan 8.290 nan 0.000 0.515 353 K N -1.113 119.046 120.400 -0.402 0.000 2.546 353 K HA 0.701 5.036 4.320 0.025 0.000 0.264 353 K C -1.999 174.611 176.600 0.017 0.000 0.937 353 K CA -1.034 55.165 56.287 -0.146 0.000 0.833 353 K CB 2.051 34.516 32.500 -0.060 0.000 1.378 353 K HN 0.431 nan 8.250 nan 0.000 0.432 354 Y N 0.446 120.928 120.300 0.302 0.000 2.528 354 Y HA 0.746 5.310 4.550 0.024 0.000 0.335 354 Y C 0.193 176.247 175.900 0.256 0.000 1.093 354 Y CA -0.768 57.482 58.100 0.250 0.000 1.134 354 Y CB 2.243 40.829 38.460 0.211 0.000 1.253 354 Y HN 0.925 nan 8.280 nan 0.000 0.478 355 A N 1.709 124.761 122.820 0.386 0.000 2.437 355 A HA 0.887 5.222 4.320 0.025 0.000 0.288 355 A C -0.347 177.378 177.584 0.234 0.000 1.201 355 A CA -1.028 51.168 52.037 0.265 0.000 0.795 355 A CB 1.441 20.546 19.000 0.175 0.000 1.359 355 A HN 0.843 nan 8.150 nan 0.000 0.435 356 R N -1.097 119.512 120.500 0.181 0.000 2.603 356 R HA 0.763 5.118 4.340 0.025 0.000 0.225 356 R C -0.185 176.175 176.300 0.100 0.000 1.300 356 R CA -0.400 55.790 56.100 0.151 0.000 1.075 356 R CB 0.219 30.602 30.300 0.138 0.000 1.663 356 R HN 0.645 nan 8.270 nan 0.000 0.546 357 M N 0.104 119.752 119.600 0.079 0.000 4.590 357 M HA 0.245 4.740 4.480 0.025 0.000 0.545 357 M C -0.614 175.715 176.300 0.048 0.000 2.120 357 M CA -0.594 54.739 55.300 0.056 0.000 0.513 357 M CB 0.716 33.342 32.600 0.043 0.000 1.450 357 M HN 0.835 nan 8.290 nan 0.000 0.599 358 R N -0.147 120.385 120.500 0.053 0.000 3.211 358 R HA -0.148 4.207 4.340 0.025 0.000 0.240 358 R C 0.044 176.372 176.300 0.046 0.000 0.915 358 R CA 1.193 57.321 56.100 0.047 0.000 0.621 358 R CB -3.222 27.099 30.300 0.035 0.000 1.008 358 R HN 0.807 nan 8.270 nan 0.000 0.471 359 G N 0.473 109.307 108.800 0.057 0.000 2.109 359 G HA2 0.198 4.172 3.960 0.025 0.000 0.249 359 G HA3 0.198 4.172 3.960 0.025 0.000 0.249 359 G C 1.447 176.370 174.900 0.038 0.000 1.126 359 G CA 0.310 45.437 45.100 0.045 0.000 0.923 359 G HN 0.719 nan 8.290 nan 0.000 0.439 360 A N 3.079 125.879 122.820 -0.034 0.000 2.042 360 A HA 0.050 4.385 4.320 0.025 0.000 0.222 360 A C 1.103 178.729 177.584 0.069 0.000 1.167 360 A CA 2.243 54.256 52.037 -0.040 0.000 0.649 360 A CB -0.507 18.387 19.000 -0.177 0.000 0.809 360 A HN 1.926 nan 8.150 nan 0.000 0.457 361 H N -4.646 114.512 119.070 0.146 0.000 3.098 361 H HA 0.508 5.078 4.556 0.024 0.000 0.293 361 H C -0.731 174.724 175.328 0.212 0.000 1.231 361 H CA -0.624 55.534 56.048 0.183 0.000 1.592 361 H CB -0.338 29.557 29.762 0.223 0.000 2.251 361 H HN 0.260 nan 8.280 nan 0.000 0.415 362 T N 1.045 115.813 114.554 0.357 0.000 2.718 362 T HA 0.506 4.870 4.350 0.025 0.000 0.306 362 T C -0.800 174.046 174.700 0.245 0.000 1.485 362 T CA -0.909 61.380 62.100 0.315 0.000 0.997 362 T CB 1.317 70.323 68.868 0.230 0.000 1.504 362 T HN 0.939 nan 8.240 nan 0.000 0.497 363 N N -0.991 117.812 118.700 0.171 0.000 2.471 363 N HA 0.490 5.245 4.740 0.025 0.000 0.288 363 N C -0.130 175.382 175.510 0.002 0.000 1.220 363 N CA -0.955 52.147 53.050 0.086 0.000 0.893 363 N CB 0.953 39.431 38.487 -0.016 0.000 1.256 363 N HN 0.473 nan 8.380 nan 0.000 0.534 364 D N -0.274 120.152 120.400 0.043 0.000 2.348 364 D HA -0.039 4.616 4.640 0.025 0.000 0.216 364 D C 1.373 177.613 176.300 -0.100 0.000 0.970 364 D CA 0.623 54.701 54.000 0.129 0.000 0.889 364 D CB 0.167 41.122 40.800 0.257 0.000 0.912 364 D HN 0.345 nan 8.370 nan 0.000 0.524 365 V N 0.836 120.454 119.914 -0.495 0.000 2.407 365 V HA -0.176 3.959 4.120 0.025 0.000 0.245 365 V C 2.372 177.957 176.094 -0.848 0.000 1.041 365 V CA 1.089 62.930 62.300 -0.766 0.000 1.040 365 V CB -0.229 30.815 31.823 -1.298 0.000 0.671 365 V HN 0.020 nan 8.190 nan 0.000 0.455 366 K N 0.864 120.704 120.400 -0.933 0.000 1.991 366 K HA -0.220 4.115 4.320 0.025 0.000 0.212 366 K C 2.212 178.644 176.600 -0.279 0.000 1.049 366 K CA 1.878 57.905 56.287 -0.434 0.000 0.932 366 K CB -0.604 31.843 32.500 -0.088 0.000 0.717 366 K HN 0.419 nan 8.250 nan 0.000 0.441 367 Q N -0.307 119.372 119.800 -0.201 0.000 2.152 367 Q HA -0.164 4.191 4.340 0.025 0.000 0.206 367 Q C 1.888 177.476 176.000 -0.686 0.000 0.985 367 Q CA 1.524 57.200 55.803 -0.212 0.000 0.863 367 Q CB -0.256 28.578 28.738 0.161 0.000 0.904 367 Q HN 0.388 nan 8.270 nan 0.000 0.422 368 L N 0.394 121.142 121.223 -0.791 0.000 2.056 368 L HA -0.149 4.206 4.340 0.025 0.000 0.207 368 L C 1.840 178.251 176.870 -0.765 0.000 1.078 368 L CA 1.956 56.140 54.840 -1.092 0.000 0.749 368 L CB -1.131 40.529 42.059 -0.665 0.000 0.901 368 L HN 0.213 nan 8.230 nan 0.000 0.433 369 T N 0.435 114.665 114.554 -0.541 0.000 2.788 369 T HA -0.172 4.193 4.350 0.025 0.000 0.268 369 T C 1.679 176.141 174.700 -0.395 0.000 1.044 369 T CA 1.645 63.490 62.100 -0.425 0.000 1.139 369 T CB -0.086 68.705 68.868 -0.128 0.000 0.867 369 T HN 0.493 nan 8.240 nan 0.000 0.454 370 E N 0.934 120.915 120.200 -0.364 0.000 2.150 370 E HA -0.011 4.354 4.350 0.025 0.000 0.193 370 E C 2.539 178.871 176.600 -0.447 0.000 0.985 370 E CA 0.896 57.098 56.400 -0.331 0.000 0.814 370 E CB -0.151 29.390 29.700 -0.264 0.000 0.752 370 E HN 0.497 nan 8.360 nan 0.000 0.466 371 A N 1.226 123.723 122.820 -0.540 0.000 1.854 371 A HA -0.089 4.246 4.320 0.025 0.000 0.214 371 A C 2.535 179.941 177.584 -0.297 0.000 1.192 371 A CA 0.799 52.594 52.037 -0.404 0.000 0.611 371 A CB -0.758 18.005 19.000 -0.395 0.000 0.832 371 A HN 0.075 nan 8.150 nan 0.000 0.442 372 V N 1.276 120.883 119.914 -0.510 0.000 2.215 372 V HA -0.421 3.714 4.120 0.025 0.000 0.249 372 V C 2.964 178.745 176.094 -0.521 0.000 1.054 372 V CA 2.890 64.731 62.300 -0.766 0.000 1.012 372 V CB -1.159 29.973 31.823 -1.150 0.000 0.639 372 V HN 0.925 nan 8.190 nan 0.000 0.448 373 Q N 0.648 120.179 119.800 -0.448 0.000 2.135 373 Q HA -0.274 4.080 4.340 0.025 0.000 0.204 373 Q C 1.944 177.845 176.000 -0.164 0.000 0.981 373 Q CA 2.458 58.111 55.803 -0.250 0.000 0.856 373 Q CB -0.589 28.030 28.738 -0.199 0.000 0.902 373 Q HN 0.546 nan 8.270 nan 0.000 0.425 374 K N 0.496 120.749 120.400 -0.245 0.000 2.057 374 K HA -0.050 4.285 4.320 0.025 0.000 0.207 374 K C 1.836 178.381 176.600 -0.092 0.000 1.049 374 K CA 1.614 57.748 56.287 -0.255 0.000 0.931 374 K CB -0.221 31.895 32.500 -0.641 0.000 0.714 374 K HN 0.361 nan 8.250 nan 0.000 0.440 375 I N 0.216 120.774 120.570 -0.020 0.000 2.142 375 I HA -0.322 3.863 4.170 0.025 0.000 0.240 375 I C 1.957 178.117 176.117 0.073 0.000 1.078 375 I CA 1.630 62.928 61.300 -0.003 0.000 1.343 375 I CB -0.613 37.391 38.000 0.007 0.000 1.046 375 I HN 0.222 nan 8.210 nan 0.000 0.405 376 T N 0.207 114.857 114.554 0.159 0.000 2.680 376 T HA -0.241 4.124 4.350 0.025 0.000 0.268 376 T C 1.826 176.566 174.700 0.066 0.000 1.033 376 T CA 2.260 64.453 62.100 0.155 0.000 1.152 376 T CB -0.602 68.340 68.868 0.122 0.000 0.859 376 T HN 0.432 nan 8.240 nan 0.000 0.452 377 T N 1.954 116.519 114.554 0.019 0.000 2.777 377 T HA -0.101 4.264 4.350 0.025 0.000 0.266 377 T C 2.028 176.715 174.700 -0.022 0.000 1.040 377 T CA 1.497 63.596 62.100 -0.002 0.000 1.141 377 T CB -0.285 68.569 68.868 -0.024 0.000 0.868 377 T HN 0.788 nan 8.240 nan 0.000 0.444 378 E N 1.250 121.432 120.200 -0.030 0.000 2.208 378 E HA -0.053 4.312 4.350 0.025 0.000 0.193 378 E C 2.027 178.546 176.600 -0.134 0.000 0.988 378 E CA 1.114 57.462 56.400 -0.087 0.000 0.828 378 E CB -0.235 29.420 29.700 -0.075 0.000 0.763 378 E HN 0.291 nan 8.360 nan 0.000 0.478 379 S N 0.843 116.553 115.700 0.017 0.000 2.371 379 S HA -0.004 4.481 4.470 0.025 0.000 0.224 379 S C 1.928 176.590 174.600 0.103 0.000 1.029 379 S CA 0.848 59.173 58.200 0.209 0.000 0.978 379 S CB -0.169 63.206 63.200 0.293 0.000 0.833 379 S HN 0.269 nan 8.310 nan 0.000 0.466 380 I N 1.232 121.826 120.570 0.040 0.000 2.226 380 I HA -0.143 4.042 4.170 0.025 0.000 0.245 380 I C 2.144 178.233 176.117 -0.046 0.000 1.100 380 I CA 0.859 62.172 61.300 0.022 0.000 1.374 380 I CB -0.395 37.620 38.000 0.026 0.000 1.057 380 I HN 0.142 nan 8.210 nan 0.000 0.413 381 V N 1.194 121.049 119.914 -0.097 0.000 2.295 381 V HA -0.285 3.850 4.120 0.025 0.000 0.246 381 V C 2.213 178.160 176.094 -0.245 0.000 1.049 381 V CA 1.996 64.214 62.300 -0.136 0.000 1.024 381 V CB -0.391 31.351 31.823 -0.136 0.000 0.648 381 V HN 0.341 nan 8.190 nan 0.000 0.447 382 I N -1.953 118.338 120.570 -0.464 0.000 2.480 382 I HA -0.118 4.067 4.170 0.025 0.000 0.251 382 I C 1.746 177.325 176.117 -0.896 0.000 1.124 382 I CA 1.227 62.020 61.300 -0.845 0.000 1.444 382 I CB -0.130 36.914 38.000 -1.594 0.000 1.098 382 I HN 0.393 nan 8.210 nan 0.000 0.428 383 W N 0.287 121.461 121.300 -0.210 0.000 2.518 383 W HA 0.409 5.083 4.660 0.024 0.000 0.352 383 W C 1.299 177.735 176.519 -0.138 0.000 0.952 383 W CA 0.266 57.430 57.345 -0.301 0.000 1.624 383 W CB -0.288 28.828 29.460 -0.574 0.000 1.135 383 W HN 0.252 nan 8.180 nan 0.000 0.540 384 G N 2.640 111.485 108.800 0.074 0.000 2.187 384 G HA2 -0.340 3.634 3.960 0.025 0.000 0.261 384 G HA3 -0.340 3.634 3.960 0.025 0.000 0.261 384 G C 0.215 175.168 174.900 0.089 0.000 1.000 384 G CA 1.374 46.518 45.100 0.073 0.000 0.718 384 G HN 0.414 nan 8.290 nan 0.000 0.519 385 K N -2.309 118.155 120.400 0.107 0.000 2.617 385 K HA 0.729 5.064 4.320 0.025 0.000 0.293 385 K C -0.466 176.173 176.600 0.065 0.000 1.034 385 K CA -0.536 55.797 56.287 0.076 0.000 0.884 385 K CB 0.512 33.049 32.500 0.061 0.000 1.541 385 K HN 0.594 nan 8.250 nan 0.000 0.409 386 T N -1.002 113.564 114.554 0.019 0.000 2.895 386 T HA 0.621 4.985 4.350 0.025 0.000 0.283 386 T C -2.547 172.058 174.700 -0.158 0.000 1.014 386 T CA -1.866 60.220 62.100 -0.024 0.000 1.037 386 T CB 1.203 70.091 68.868 0.035 0.000 1.006 386 T HN 0.364 nan 8.240 nan 0.000 0.468 387 P HA 0.317 nan 4.420 nan 0.000 0.276 387 P C -0.686 176.276 177.300 -0.564 0.000 1.244 387 P CA -0.781 61.990 63.100 -0.548 0.000 0.801 387 P CB 0.441 31.657 31.700 -0.808 0.000 1.006 388 K N 2.187 122.335 120.400 -0.419 0.000 2.312 388 K HA 0.295 4.630 4.320 0.025 0.000 0.287 388 K C -0.202 176.206 176.600 -0.321 0.000 1.062 388 K CA -0.009 56.124 56.287 -0.257 0.000 0.934 388 K CB -0.143 32.248 32.500 -0.182 0.000 1.027 388 K HN 0.368 nan 8.250 nan 0.000 0.478 389 F N 1.746 121.655 119.950 -0.069 0.000 2.389 389 F HA 0.204 4.745 4.527 0.022 0.000 0.337 389 F C 1.095 176.919 175.800 0.040 0.000 1.112 389 F CA 0.005 57.982 58.000 -0.038 0.000 1.192 389 F CB 0.884 39.842 39.000 -0.070 0.000 1.185 389 F HN 0.053 nan 8.300 nan 0.000 0.552 390 K N 4.714 125.252 120.400 0.231 0.000 2.626 390 K HA 0.419 4.754 4.320 0.025 0.000 0.223 390 K C -1.325 175.392 176.600 0.195 0.000 0.992 390 K CA -0.206 56.185 56.287 0.172 0.000 1.024 390 K CB 1.163 33.704 32.500 0.069 0.000 1.225 390 K HN 0.547 nan 8.250 nan 0.000 0.498 391 L N 3.515 124.899 121.223 0.269 0.000 2.331 391 L HA 0.503 4.857 4.340 0.025 0.000 0.275 391 L C -1.671 175.343 176.870 0.240 0.000 1.022 391 L CA -2.088 52.849 54.840 0.163 0.000 0.812 391 L CB 1.702 43.708 42.059 -0.089 0.000 1.257 391 L HN 0.206 nan 8.230 nan 0.000 0.435 392 P HA 0.131 nan 4.420 nan 0.000 0.237 392 P C -0.585 176.892 177.300 0.295 0.000 1.723 392 P CA 0.520 63.758 63.100 0.231 0.000 0.882 392 P CB 0.081 31.870 31.700 0.148 0.000 1.810 393 I N -1.062 119.746 120.570 0.396 0.000 2.722 393 I HA 0.266 4.451 4.170 0.025 0.000 0.295 393 I C -0.640 175.592 176.117 0.192 0.000 1.161 393 I CA -1.055 60.373 61.300 0.214 0.000 1.032 393 I CB 2.700 40.709 38.000 0.016 0.000 1.244 393 I HN -0.218 nan 8.210 nan 0.000 0.421 394 Q N 5.858 125.603 119.800 -0.091 0.000 2.311 394 Q HA 0.124 4.479 4.340 0.025 0.000 0.272 394 Q C 0.544 176.604 176.000 0.100 0.000 1.012 394 Q CA 0.032 55.641 55.803 -0.324 0.000 0.891 394 Q CB 1.528 30.106 28.738 -0.268 0.000 1.201 394 Q HN 0.648 nan 8.270 nan 0.000 0.391 395 K N 2.168 122.660 120.400 0.153 0.000 2.152 395 K HA -0.241 4.093 4.320 0.025 0.000 0.206 395 K C 1.708 178.513 176.600 0.341 0.000 1.048 395 K CA 1.399 57.936 56.287 0.416 0.000 0.933 395 K CB 0.127 32.689 32.500 0.104 0.000 0.721 395 K HN 0.661 nan 8.250 nan 0.000 0.447 396 E N 0.886 121.171 120.200 0.141 0.000 2.058 396 E HA -0.197 4.168 4.350 0.025 0.000 0.194 396 E C 1.494 178.170 176.600 0.127 0.000 0.997 396 E CA 1.853 58.315 56.400 0.104 0.000 0.801 396 E CB -0.005 29.707 29.700 0.020 0.000 0.746 396 E HN 0.201 nan 8.360 nan 0.000 0.450 397 T N 0.996 115.621 114.554 0.118 0.000 2.737 397 T HA -0.177 4.187 4.350 0.025 0.000 0.265 397 T C 1.331 176.145 174.700 0.190 0.000 1.038 397 T CA 1.189 63.351 62.100 0.102 0.000 1.144 397 T CB -0.615 68.277 68.868 0.041 0.000 0.866 397 T HN 0.455 nan 8.240 nan 0.000 0.434 398 W N 2.409 123.801 121.300 0.154 0.000 2.354 398 W HA -0.203 4.469 4.660 0.020 0.000 0.315 398 W C 2.185 178.956 176.519 0.419 0.000 1.206 398 W CA 1.853 59.335 57.345 0.229 0.000 1.290 398 W CB -0.377 29.213 29.460 0.218 0.000 1.152 398 W HN 0.278 nan 8.180 nan 0.000 0.489 399 E N 0.349 120.712 120.200 0.272 0.000 2.049 399 E HA -0.239 4.126 4.350 0.025 0.000 0.198 399 E C 2.161 178.779 176.600 0.029 0.000 1.007 399 E CA 3.129 59.694 56.400 0.276 0.000 0.809 399 E CB -0.883 29.001 29.700 0.306 0.000 0.749 399 E HN 0.034 nan 8.360 nan 0.000 0.450 400 T N -0.475 114.105 114.554 0.043 0.000 2.665 400 T HA -0.205 4.160 4.350 0.025 0.000 0.268 400 T C 1.134 175.817 174.700 -0.030 0.000 1.035 400 T CA 1.743 63.841 62.100 -0.005 0.000 1.151 400 T CB -0.552 68.336 68.868 0.034 0.000 0.862 400 T HN 0.462 nan 8.240 nan 0.000 0.438 401 W N 0.272 121.440 121.300 -0.220 0.000 2.381 401 W HA -0.070 4.609 4.660 0.031 0.000 0.321 401 W C 2.148 178.499 176.519 -0.279 0.000 1.196 401 W CA 1.258 58.451 57.345 -0.252 0.000 1.304 401 W CB -0.943 28.350 29.460 -0.279 0.000 1.166 401 W HN 0.454 nan 8.180 nan 0.000 0.473 402 W N 1.795 122.750 121.300 -0.574 0.000 2.341 402 W HA -0.207 4.466 4.660 0.022 0.000 0.283 402 W C 2.060 178.314 176.519 -0.442 0.000 1.215 402 W CA 2.655 59.576 57.345 -0.707 0.000 1.211 402 W CB -0.978 27.958 29.460 -0.874 0.000 1.131 402 W HN -0.206 nan 8.180 nan 0.000 0.552 403 T N 0.721 114.739 114.554 -0.893 0.000 2.624 403 T HA -0.310 4.055 4.350 0.025 0.000 0.268 403 T C 1.236 175.563 174.700 -0.623 0.000 1.041 403 T CA 2.295 63.832 62.100 -0.938 0.000 1.159 403 T CB -0.243 68.283 68.868 -0.570 0.000 0.863 403 T HN 0.230 nan 8.240 nan 0.000 0.434 404 E N -0.532 119.399 120.200 -0.449 0.000 2.562 404 E HA 0.158 4.523 4.350 0.025 0.000 0.214 404 E C -0.450 175.980 176.600 -0.284 0.000 0.979 404 E CA -0.475 55.739 56.400 -0.309 0.000 1.002 404 E CB -0.058 29.519 29.700 -0.204 0.000 1.048 404 E HN 0.459 nan 8.360 nan 0.000 0.488 405 Y N 1.777 121.703 120.300 -0.623 0.000 2.632 405 Y HA -0.050 4.516 4.550 0.028 0.000 0.329 405 Y C 1.280 176.906 175.900 -0.457 0.000 1.174 405 Y CA -0.212 57.476 58.100 -0.687 0.000 1.469 405 Y CB 0.346 37.982 38.460 -1.374 0.000 1.242 405 Y HN 0.260 nan 8.280 nan 0.000 0.540 406 W N 4.763 125.670 121.300 -0.654 0.000 2.359 406 W HA -0.146 4.528 4.660 0.024 0.000 0.275 406 W C -0.401 175.829 176.519 -0.481 0.000 1.217 406 W CA 0.662 57.710 57.345 -0.496 0.000 1.196 406 W CB -0.404 28.811 29.460 -0.408 0.000 1.129 406 W HN 0.573 nan 8.180 nan 0.000 0.566 407 Q N 1.154 119.683 119.800 -2.118 0.000 2.235 407 Q HA 0.514 4.868 4.340 0.025 0.000 0.256 407 Q C -0.210 175.394 176.000 -0.661 0.000 0.951 407 Q CA -0.415 54.375 55.803 -1.689 0.000 0.890 407 Q CB 1.966 29.515 28.738 -1.981 0.000 1.279 407 Q HN 0.030 nan 8.270 nan 0.000 0.444 408 A N 2.283 124.883 122.820 -0.367 0.000 2.462 408 A HA 0.434 4.768 4.320 0.025 0.000 0.243 408 A C -0.129 177.469 177.584 0.023 0.000 1.076 408 A CA 0.361 52.338 52.037 -0.099 0.000 0.773 408 A CB 0.815 19.776 19.000 -0.065 0.000 1.010 408 A HN 0.658 nan 8.150 nan 0.000 0.493 409 T N 2.581 117.249 114.554 0.191 0.000 2.886 409 T HA 0.587 4.952 4.350 0.025 0.000 0.330 409 T C -1.957 172.982 174.700 0.398 0.000 1.488 409 T CA -0.280 62.000 62.100 0.300 0.000 1.054 409 T CB 0.981 70.093 68.868 0.407 0.000 1.348 409 T HN 1.711 nan 8.240 nan 0.000 0.489 410 W N 5.172 126.525 121.300 0.088 0.000 3.298 410 W HA 0.604 5.281 4.660 0.027 0.000 0.302 410 W C -2.881 173.506 176.519 -0.219 0.000 1.255 410 W CA -1.451 55.877 57.345 -0.030 0.000 1.196 410 W CB 0.080 29.471 29.460 -0.114 0.000 1.364 410 W HN 0.733 nan 8.180 nan 0.000 0.566 411 I N 3.943 123.973 120.570 -0.900 0.000 2.433 411 I HA 0.338 4.522 4.170 0.025 0.000 0.292 411 I C -1.789 173.432 176.117 -1.493 0.000 1.001 411 I CA -2.142 58.404 61.300 -1.256 0.000 1.119 411 I CB 2.088 39.107 38.000 -1.635 0.000 1.289 411 I HN 0.011 nan 8.210 nan 0.000 0.438 412 P HA 0.013 nan 4.420 nan 0.000 0.296 412 P C -0.953 176.096 177.300 -0.417 0.000 1.295 412 P CA -0.530 61.939 63.100 -1.052 0.000 0.754 412 P CB 0.220 31.703 31.700 -0.363 0.000 1.311 413 E N 0.998 121.094 120.200 -0.175 0.000 2.480 413 E HA 0.055 4.420 4.350 0.025 0.000 0.258 413 E C -0.719 175.940 176.600 0.099 0.000 0.984 413 E CA -0.204 56.167 56.400 -0.049 0.000 0.930 413 E CB -0.237 29.436 29.700 -0.044 0.000 0.936 413 E HN 0.374 nan 8.360 nan 0.000 0.466 414 W N 1.931 123.138 121.300 -0.156 0.000 3.118 414 W HA 0.605 5.276 4.660 0.019 0.000 0.328 414 W C -1.437 175.040 176.519 -0.070 0.000 1.239 414 W CA -1.050 56.237 57.345 -0.095 0.000 1.176 414 W CB 0.683 30.033 29.460 -0.184 0.000 1.433 414 W HN 0.405 nan 8.180 nan 0.000 0.562 415 E N 1.150 121.349 120.200 -0.001 0.000 2.359 415 E HA 0.527 4.892 4.350 0.025 0.000 0.266 415 E C -1.496 175.201 176.600 0.162 0.000 0.920 415 E CA -0.958 55.356 56.400 -0.145 0.000 0.788 415 E CB 2.362 32.015 29.700 -0.078 0.000 1.279 415 E HN 0.289 nan 8.360 nan 0.000 0.438 416 F N 1.712 121.640 119.950 -0.037 0.000 2.394 416 F HA 0.560 5.092 4.527 0.008 0.000 0.340 416 F C -0.838 175.014 175.800 0.087 0.000 1.105 416 F CA -0.945 57.134 58.000 0.131 0.000 1.124 416 F CB 0.858 39.913 39.000 0.092 0.000 1.145 416 F HN 0.165 nan 8.300 nan 0.000 0.505 417 V N 7.365 126.900 119.914 -0.632 0.000 2.409 417 V HA 0.321 4.456 4.120 0.025 0.000 0.290 417 V C -0.669 174.902 176.094 -0.871 0.000 1.017 417 V CA -0.727 61.182 62.300 -0.651 0.000 0.841 417 V CB 1.100 32.792 31.823 -0.218 0.000 1.003 417 V HN 0.836 nan 8.190 nan 0.000 0.426 418 N N 4.524 122.658 118.700 -0.943 0.000 3.103 418 N HA 0.150 4.905 4.740 0.025 0.000 0.305 418 N C -0.198 175.224 175.510 -0.147 0.000 1.232 418 N CA 0.131 52.927 53.050 -0.423 0.000 1.190 418 N CB -0.020 38.387 38.487 -0.134 0.000 1.461 418 N HN 0.715 nan 8.380 nan 0.000 0.538 419 T N 3.119 117.610 114.554 -0.105 0.000 3.149 419 T HA 0.306 4.671 4.350 0.025 0.000 0.373 419 T C -2.363 172.335 174.700 -0.003 0.000 1.364 419 T CA -1.148 60.922 62.100 -0.051 0.000 1.110 419 T CB 1.051 69.883 68.868 -0.060 0.000 1.127 419 T HN 0.263 nan 8.240 nan 0.000 0.576 420 P HA 0.054 nan 4.420 nan 0.000 0.269 420 P C -2.195 175.111 177.300 0.010 0.000 1.200 420 P CA -0.772 62.344 63.100 0.027 0.000 0.779 420 P CB -0.080 31.635 31.700 0.025 0.000 0.841 421 P HA 0.190 nan 4.420 nan 0.000 0.279 421 P C -0.668 176.644 177.300 0.022 0.000 1.239 421 P CA -0.061 63.047 63.100 0.013 0.000 0.789 421 P CB 0.742 32.446 31.700 0.008 0.000 0.933 422 L N 2.028 123.268 121.223 0.029 0.000 2.436 422 L HA 0.270 4.624 4.340 0.025 0.000 0.265 422 L C 0.469 177.320 176.870 -0.031 0.000 1.168 422 L CA -1.035 53.836 54.840 0.050 0.000 0.815 422 L CB 0.787 42.894 42.059 0.080 0.000 1.109 422 L HN 0.148 nan 8.230 nan 0.000 0.462 423 V N 2.606 122.519 119.914 -0.001 0.000 2.498 423 V HA 0.349 4.483 4.120 0.025 0.000 0.279 423 V C 0.166 176.167 176.094 -0.156 0.000 1.048 423 V CA -0.405 61.859 62.300 -0.059 0.000 0.967 423 V CB 0.984 32.843 31.823 0.060 0.000 0.988 423 V HN 0.868 nan 8.190 nan 0.000 0.473 424 K N 4.133 124.337 120.400 -0.327 0.000 2.466 424 K HA 0.693 5.028 4.320 0.025 0.000 0.277 424 K C -1.530 174.799 176.600 -0.452 0.000 1.039 424 K CA -1.125 54.950 56.287 -0.353 0.000 0.904 424 K CB 1.814 34.096 32.500 -0.363 0.000 1.506 424 K HN 0.339 nan 8.250 nan 0.000 0.441 425 L N 2.204 123.240 121.223 -0.312 0.000 2.268 425 L HA 0.255 4.610 4.340 0.025 0.000 0.289 425 L C 0.244 177.010 176.870 -0.173 0.000 1.064 425 L CA -0.742 53.962 54.840 -0.227 0.000 0.824 425 L CB 0.075 42.068 42.059 -0.109 0.000 1.202 425 L HN 0.692 nan 8.230 nan 0.000 0.433 426 W N 3.097 124.392 121.300 -0.009 0.000 2.359 426 W HA -0.181 4.489 4.660 0.016 0.000 0.275 426 W C 0.537 177.184 176.519 0.214 0.000 1.217 426 W CA 0.605 58.014 57.345 0.105 0.000 1.196 426 W CB -0.286 29.279 29.460 0.175 0.000 1.129 426 W HN 0.544 nan 8.180 nan 0.000 0.566 427 Y N -3.718 116.717 120.300 0.225 0.000 2.713 427 Y HA 0.569 5.132 4.550 0.022 0.000 0.335 427 Y C -1.231 174.744 175.900 0.124 0.000 1.222 427 Y CA -2.286 55.905 58.100 0.153 0.000 1.061 427 Y CB 0.529 39.076 38.460 0.144 0.000 1.314 427 Y HN -0.169 nan 8.280 nan 0.000 0.453 428 Q N 2.138 122.084 119.800 0.244 0.000 2.334 428 Q HA 0.476 4.830 4.340 0.025 0.000 0.249 428 Q C -1.558 174.574 176.000 0.221 0.000 0.909 428 Q CA -0.645 55.235 55.803 0.129 0.000 0.823 428 Q CB 2.602 31.386 28.738 0.076 0.000 1.353 428 Q HN 0.712 nan 8.270 nan 0.000 0.433 429 L N 1.950 123.319 121.223 0.244 0.000 2.483 429 L HA 0.086 4.441 4.340 0.025 0.000 0.276 429 L C 0.756 177.733 176.870 0.178 0.000 1.213 429 L CA -0.032 54.943 54.840 0.225 0.000 0.843 429 L CB 0.248 42.429 42.059 0.203 0.000 1.107 429 L HN 0.433 nan 8.230 nan 0.000 0.487 430 E N 2.153 122.472 120.200 0.198 0.000 2.398 430 E HA 0.015 4.380 4.350 0.025 0.000 0.263 430 E C 0.626 177.322 176.600 0.160 0.000 1.046 430 E CA -0.217 56.272 56.400 0.147 0.000 0.908 430 E CB 0.833 30.603 29.700 0.116 0.000 0.963 430 E HN 0.334 nan 8.360 nan 0.000 0.431 431 K N 1.239 121.676 120.400 0.063 0.000 2.103 431 K HA 0.012 4.347 4.320 0.025 0.000 0.204 431 K C 0.552 177.146 176.600 -0.011 0.000 1.052 431 K CA 1.102 57.418 56.287 0.048 0.000 0.945 431 K CB 0.281 32.787 32.500 0.010 0.000 0.722 431 K HN 0.407 nan 8.250 nan 0.000 0.443 432 E N 0.082 120.174 120.200 -0.180 0.000 2.359 432 E HA 0.311 4.676 4.350 0.025 0.000 0.266 432 E C -2.587 173.477 176.600 -0.892 0.000 0.920 432 E CA -2.413 53.742 56.400 -0.408 0.000 0.788 432 E CB 2.046 31.615 29.700 -0.217 0.000 1.279 432 E HN -0.124 nan 8.360 nan 0.000 0.438 433 P HA 0.064 nan 4.420 nan 0.000 0.265 433 P C -0.082 176.994 177.300 -0.373 0.000 1.187 433 P CA 0.405 62.903 63.100 -1.003 0.000 0.766 433 P CB 0.373 31.840 31.700 -0.390 0.000 0.820 434 I N 2.978 123.453 120.570 -0.158 0.000 2.379 434 I HA 0.057 4.242 4.170 0.025 0.000 0.290 434 I C 1.183 177.292 176.117 -0.014 0.000 1.063 434 I CA -0.651 60.621 61.300 -0.047 0.000 1.351 434 I CB 0.915 38.933 38.000 0.029 0.000 1.410 434 I HN 0.133 nan 8.210 nan 0.000 0.505 435 V N 7.888 127.787 119.914 -0.024 0.000 2.572 435 V HA 0.494 4.628 4.120 0.025 0.000 0.291 435 V C 1.025 177.127 176.094 0.012 0.000 1.039 435 V CA 1.377 63.674 62.300 -0.005 0.000 1.055 435 V CB 0.285 32.101 31.823 -0.013 0.000 0.969 435 V HN 1.099 nan 8.190 nan 0.000 0.482 436 G N 4.767 113.581 108.800 0.023 0.000 3.922 436 G HA2 -0.132 3.843 3.960 0.025 0.000 0.208 436 G HA3 -0.132 3.843 3.960 0.025 0.000 0.208 436 G C 0.815 175.742 174.900 0.045 0.000 1.491 436 G CA 0.021 45.138 45.100 0.029 0.000 1.017 436 G HN 2.237 nan 8.290 nan 0.000 0.603 437 A N 1.409 124.260 122.820 0.050 0.000 2.613 437 A HA 0.409 4.744 4.320 0.025 0.000 0.230 437 A C 0.647 178.290 177.584 0.100 0.000 1.051 437 A CA 1.516 53.596 52.037 0.071 0.000 0.754 437 A CB -0.096 18.946 19.000 0.070 0.000 0.979 437 A HN 1.119 nan 8.150 nan 0.000 0.510 438 E N 0.356 120.633 120.200 0.129 0.000 2.436 438 E HA 0.184 4.548 4.350 0.025 0.000 0.262 438 E C -0.561 176.169 176.600 0.217 0.000 1.063 438 E CA 0.465 56.963 56.400 0.162 0.000 0.944 438 E CB 0.368 30.200 29.700 0.220 0.000 0.950 438 E HN 0.575 nan 8.360 nan 0.000 0.444 439 T N 4.211 118.879 114.554 0.191 0.000 2.809 439 T HA 0.294 4.659 4.350 0.025 0.000 0.296 439 T C -0.993 173.835 174.700 0.213 0.000 1.015 439 T CA -0.447 61.778 62.100 0.209 0.000 0.954 439 T CB 0.033 69.031 68.868 0.217 0.000 0.950 439 T HN 0.232 nan 8.240 nan 0.000 0.450 440 F N 3.165 123.104 119.950 -0.018 0.000 2.413 440 F HA 0.344 4.887 4.527 0.026 0.000 0.359 440 F C -0.008 175.774 175.800 -0.029 0.000 1.122 440 F CA -1.121 56.873 58.000 -0.010 0.000 1.160 440 F CB 0.278 39.183 39.000 -0.159 0.000 1.146 440 F HN 0.524 nan 8.300 nan 0.000 0.514 441 Y N 3.640 124.003 120.300 0.104 0.000 2.535 441 Y HA 0.391 4.956 4.550 0.025 0.000 0.349 441 Y C 0.278 176.257 175.900 0.132 0.000 0.992 441 Y CA -1.008 57.142 58.100 0.084 0.000 1.248 441 Y CB 0.385 38.865 38.460 0.033 0.000 1.124 441 Y HN 0.347 nan 8.280 nan 0.000 0.520 442 V N -0.013 120.013 119.914 0.187 0.000 2.716 442 V HA 0.763 4.897 4.120 0.025 0.000 0.304 442 V C -0.633 175.536 176.094 0.126 0.000 1.053 442 V CA -0.609 61.806 62.300 0.191 0.000 0.984 442 V CB 2.047 33.960 31.823 0.151 0.000 1.021 442 V HN 0.594 nan 8.190 nan 0.000 0.467 443 D N 1.191 121.664 120.400 0.122 0.000 2.886 443 D HA 0.704 5.359 4.640 0.025 0.000 0.216 443 D C -0.416 175.929 176.300 0.074 0.000 1.256 443 D CA 0.371 54.419 54.000 0.079 0.000 0.844 443 D CB 2.008 42.848 40.800 0.066 0.000 1.669 443 D HN 1.157 nan 8.370 nan 0.000 0.513 444 G N 0.625 109.461 108.800 0.060 0.000 2.620 444 G HA2 0.848 4.823 3.960 0.025 0.000 0.301 444 G HA3 0.848 4.823 3.960 0.025 0.000 0.301 444 G C -1.469 173.462 174.900 0.051 0.000 1.347 444 G CA -0.369 44.766 45.100 0.059 0.000 0.971 444 G HN 0.660 nan 8.290 nan 0.000 0.488 445 A N -0.285 122.565 122.820 0.049 0.000 2.594 445 A HA 1.041 5.376 4.320 0.025 0.000 0.295 445 A C -0.694 176.917 177.584 0.045 0.000 1.071 445 A CA -0.101 51.965 52.037 0.048 0.000 0.685 445 A CB 1.698 20.726 19.000 0.046 0.000 1.285 445 A HN 2.447 nan 8.150 nan 0.000 0.405 446 A N 1.208 124.055 122.820 0.046 0.000 2.540 446 A HA 0.645 4.979 4.320 0.025 0.000 0.297 446 A C -1.047 176.560 177.584 0.038 0.000 1.056 446 A CA -0.569 51.492 52.037 0.040 0.000 0.700 446 A CB 1.115 20.140 19.000 0.041 0.000 1.280 446 A HN 0.969 nan 8.150 nan 0.000 0.398 447 N N 2.071 120.790 118.700 0.031 0.000 2.448 447 N HA 0.024 4.779 4.740 0.025 0.000 0.250 447 N C 0.789 176.315 175.510 0.027 0.000 1.136 447 N CA -0.384 52.682 53.050 0.027 0.000 0.953 447 N CB 0.465 38.965 38.487 0.022 0.000 1.251 447 N HN 0.606 nan 8.380 nan 0.000 0.502 448 R N 2.020 122.538 120.500 0.029 0.000 2.244 448 R HA -0.165 4.190 4.340 0.025 0.000 0.252 448 R C 0.932 177.246 176.300 0.022 0.000 1.177 448 R CA 1.210 57.327 56.100 0.027 0.000 1.004 448 R CB 0.088 30.405 30.300 0.029 0.000 0.873 448 R HN 0.700 nan 8.270 nan 0.000 0.469 449 E N -0.908 119.303 120.200 0.019 0.000 2.075 449 E HA -0.056 4.308 4.350 0.025 0.000 0.190 449 E C 1.935 178.544 176.600 0.016 0.000 0.969 449 E CA 1.639 58.049 56.400 0.016 0.000 0.815 449 E CB -0.248 29.460 29.700 0.014 0.000 0.776 449 E HN 0.459 nan 8.360 nan 0.000 0.457 450 T N -1.210 113.354 114.554 0.016 0.000 2.978 450 T HA 0.031 4.396 4.350 0.025 0.000 0.262 450 T C 1.035 175.745 174.700 0.017 0.000 1.063 450 T CA 0.657 62.766 62.100 0.015 0.000 1.140 450 T CB -0.001 68.875 68.868 0.015 0.000 0.886 450 T HN 0.073 nan 8.240 nan 0.000 0.470 451 K N 0.063 120.475 120.400 0.020 0.000 3.339 451 K HA -0.080 4.254 4.320 0.025 0.000 0.299 451 K C -0.829 175.785 176.600 0.023 0.000 1.270 451 K CA 0.088 56.388 56.287 0.023 0.000 0.875 451 K CB -1.451 31.062 32.500 0.021 0.000 1.298 451 K HN 0.303 nan 8.250 nan 0.000 0.485 452 L N 1.712 122.948 121.223 0.021 0.000 2.375 452 L HA 0.208 4.563 4.340 0.025 0.000 0.276 452 L C 1.289 178.173 176.870 0.024 0.000 1.162 452 L CA 0.780 55.633 54.840 0.020 0.000 0.991 452 L CB -0.157 41.913 42.059 0.017 0.000 1.315 452 L HN 0.255 nan 8.230 nan 0.000 0.431 453 G N 3.066 111.883 108.800 0.027 0.000 2.504 453 G HA2 0.517 4.492 3.960 0.025 0.000 0.288 453 G HA3 0.517 4.492 3.960 0.025 0.000 0.288 453 G C -0.520 174.399 174.900 0.031 0.000 1.182 453 G CA -0.396 44.724 45.100 0.032 0.000 0.894 453 G HN 0.481 nan 8.290 nan 0.000 0.521 454 K N -0.691 119.730 120.400 0.035 0.000 2.550 454 K HA 0.609 4.944 4.320 0.025 0.000 0.252 454 K C -1.075 175.550 176.600 0.041 0.000 0.943 454 K CA -0.438 55.868 56.287 0.032 0.000 0.806 454 K CB 2.334 34.849 32.500 0.024 0.000 1.289 454 K HN 0.805 nan 8.250 nan 0.000 0.435 455 A N 1.738 124.585 122.820 0.046 0.000 2.488 455 A HA 0.907 5.242 4.320 0.025 0.000 0.298 455 A C -0.846 176.779 177.584 0.069 0.000 1.044 455 A CA -0.237 51.838 52.037 0.064 0.000 0.693 455 A CB 1.841 20.888 19.000 0.078 0.000 1.272 455 A HN 0.786 nan 8.150 nan 0.000 0.402 456 G N -0.302 108.551 108.800 0.089 0.000 2.650 456 G HA2 0.782 4.757 3.960 0.025 0.000 0.310 456 G HA3 0.782 4.757 3.960 0.025 0.000 0.310 456 G C -1.355 173.665 174.900 0.201 0.000 1.270 456 G CA 0.244 45.397 45.100 0.089 0.000 0.810 456 G HN 2.079 nan 8.290 nan 0.000 0.493 457 Y N -2.617 117.722 120.300 0.065 0.000 2.689 457 Y HA 0.788 5.353 4.550 0.026 0.000 0.333 457 Y C -1.456 174.448 175.900 0.006 0.000 1.208 457 Y CA -1.592 56.555 58.100 0.078 0.000 1.055 457 Y CB 1.553 40.121 38.460 0.180 0.000 1.304 457 Y HN 0.647 nan 8.280 nan 0.000 0.455 458 V N 1.993 122.051 119.914 0.239 0.000 2.612 458 V HA 0.550 4.685 4.120 0.025 0.000 0.301 458 V C -0.367 175.774 176.094 0.078 0.000 1.059 458 V CA -0.173 62.167 62.300 0.067 0.000 0.886 458 V CB 1.708 33.520 31.823 -0.017 0.000 1.007 458 V HN 1.104 nan 8.190 nan 0.000 0.426 459 T N 0.261 114.779 114.554 -0.061 0.000 2.934 459 T HA 0.274 4.639 4.350 0.025 0.000 0.283 459 T C 1.191 175.847 174.700 -0.074 0.000 1.005 459 T CA -0.309 61.677 62.100 -0.190 0.000 1.041 459 T CB 1.273 69.831 68.868 -0.516 0.000 1.042 459 T HN 0.675 nan 8.240 nan 0.000 0.505 460 N N 1.777 120.474 118.700 -0.005 0.000 2.364 460 N HA -0.158 4.597 4.740 0.025 0.000 0.183 460 N C 1.057 176.546 175.510 -0.035 0.000 1.022 460 N CA 0.745 53.784 53.050 -0.019 0.000 0.883 460 N CB -0.473 38.045 38.487 0.052 0.000 0.965 460 N HN 0.672 nan 8.380 nan 0.000 0.438 461 R N 0.208 120.684 120.500 -0.041 0.000 2.823 461 R HA 0.176 4.531 4.340 0.025 0.000 0.250 461 R C 0.976 177.253 176.300 -0.038 0.000 1.332 461 R CA 0.369 56.451 56.100 -0.031 0.000 1.259 461 R CB -0.489 29.801 30.300 -0.016 0.000 1.225 461 R HN 0.429 nan 8.270 nan 0.000 0.545 462 G N 1.484 110.253 108.800 -0.051 0.000 2.451 462 G HA2 -0.441 3.534 3.960 0.025 0.000 0.253 462 G HA3 -0.441 3.534 3.960 0.025 0.000 0.253 462 G C 0.467 175.335 174.900 -0.052 0.000 1.033 462 G CA 0.663 45.733 45.100 -0.050 0.000 0.633 462 G HN 0.497 nan 8.290 nan 0.000 0.537 463 R N 1.506 121.981 120.500 -0.041 0.000 2.679 463 R HA 0.462 4.816 4.340 0.025 0.000 0.268 463 R C 0.586 176.860 176.300 -0.042 0.000 1.044 463 R CA 1.064 57.159 56.100 -0.009 0.000 1.105 463 R CB 0.127 30.461 30.300 0.058 0.000 0.989 463 R HN 0.727 nan 8.270 nan 0.000 0.447 464 Q N 1.590 121.293 119.800 -0.162 0.000 2.738 464 Q HA 0.475 4.830 4.340 0.025 0.000 0.301 464 Q C -1.751 173.851 176.000 -0.663 0.000 0.901 464 Q CA -1.307 54.207 55.803 -0.482 0.000 0.756 464 Q CB 1.828 30.404 28.738 -0.271 0.000 1.463 464 Q HN 0.573 nan 8.270 nan 0.000 0.432 465 K N 0.004 119.915 120.400 -0.814 0.000 2.675 465 K HA 0.564 4.899 4.320 0.025 0.000 0.280 465 K C -2.265 174.129 176.600 -0.344 0.000 0.993 465 K CA -0.591 55.387 56.287 -0.516 0.000 0.863 465 K CB 2.474 34.678 32.500 -0.493 0.000 1.438 465 K HN 0.482 nan 8.250 nan 0.000 0.389 466 V N 2.527 122.345 119.914 -0.160 0.000 2.711 466 V HA 0.401 4.536 4.120 0.025 0.000 0.304 466 V C -1.027 175.049 176.094 -0.031 0.000 1.097 466 V CA -0.855 61.399 62.300 -0.075 0.000 0.906 466 V CB 1.926 33.711 31.823 -0.063 0.000 1.015 466 V HN 0.533 nan 8.190 nan 0.000 0.427 467 V N 2.983 122.899 119.914 0.003 0.000 2.547 467 V HA 0.539 4.673 4.120 0.025 0.000 0.299 467 V C 0.385 176.491 176.094 0.020 0.000 1.040 467 V CA -0.373 61.937 62.300 0.016 0.000 0.913 467 V CB 2.150 33.996 31.823 0.037 0.000 0.992 467 V HN 0.907 nan 8.190 nan 0.000 0.449 468 T N 5.950 120.514 114.554 0.016 0.000 2.845 468 T HA 0.707 5.072 4.350 0.025 0.000 0.288 468 T C -0.821 173.894 174.700 0.024 0.000 0.980 468 T CA -0.177 61.934 62.100 0.017 0.000 1.071 468 T CB -0.022 68.852 68.868 0.011 0.000 0.941 468 T HN 0.441 nan 8.240 nan 0.000 0.487 469 L N 4.328 125.567 121.223 0.027 0.000 2.431 469 L HA 0.592 4.946 4.340 0.025 0.000 0.266 469 L C -0.118 176.767 176.870 0.026 0.000 0.978 469 L CA -1.108 53.750 54.840 0.030 0.000 0.822 469 L CB 2.686 44.768 42.059 0.038 0.000 1.310 469 L HN 0.648 nan 8.230 nan 0.000 0.409 470 T N -2.444 112.124 114.554 0.024 0.000 2.824 470 T HA 0.486 4.851 4.350 0.025 0.000 0.282 470 T C -0.228 174.484 174.700 0.021 0.000 0.993 470 T CA -0.539 61.573 62.100 0.021 0.000 0.967 470 T CB 1.855 70.733 68.868 0.017 0.000 0.960 470 T HN 0.718 nan 8.240 nan 0.000 0.441 471 D N -0.138 120.274 120.400 0.021 0.000 2.914 471 D HA -0.157 4.498 4.640 0.025 0.000 0.226 471 D C -0.209 176.105 176.300 0.024 0.000 1.112 471 D CA 1.487 55.500 54.000 0.021 0.000 0.778 471 D CB -1.153 39.658 40.800 0.018 0.000 1.095 471 D HN 0.821 nan 8.370 nan 0.000 0.436 472 T N -0.680 113.891 114.554 0.028 0.000 2.940 472 T HA 0.692 5.056 4.350 0.025 0.000 0.288 472 T C 0.293 175.014 174.700 0.035 0.000 1.033 472 T CA 0.278 62.397 62.100 0.032 0.000 1.033 472 T CB 1.307 70.197 68.868 0.037 0.000 1.079 472 T HN 0.254 nan 8.240 nan 0.000 0.496 473 T N 1.033 115.610 114.554 0.039 0.000 2.927 473 T HA 0.325 4.690 4.350 0.025 0.000 0.281 473 T C 1.322 176.052 174.700 0.050 0.000 0.998 473 T CA -0.486 61.639 62.100 0.042 0.000 1.019 473 T CB 0.832 69.727 68.868 0.044 0.000 1.061 473 T HN 0.716 nan 8.240 nan 0.000 0.518 474 N N 0.172 118.903 118.700 0.052 0.000 2.036 474 N HA -0.264 4.490 4.740 0.025 0.000 0.195 474 N C 2.061 177.612 175.510 0.069 0.000 1.037 474 N CA 1.606 54.691 53.050 0.059 0.000 0.855 474 N CB -0.176 38.348 38.487 0.061 0.000 1.033 474 N HN 0.796 nan 8.380 nan 0.000 0.423 475 Q N 0.824 120.672 119.800 0.079 0.000 2.045 475 Q HA -0.258 4.097 4.340 0.025 0.000 0.206 475 Q C 1.776 177.828 176.000 0.087 0.000 0.991 475 Q CA 1.675 57.542 55.803 0.107 0.000 0.851 475 Q CB 0.002 28.821 28.738 0.135 0.000 0.911 475 Q HN 0.354 nan 8.270 nan 0.000 0.418 476 K N -0.267 120.175 120.400 0.069 0.000 2.020 476 K HA -0.183 4.152 4.320 0.025 0.000 0.212 476 K C 2.342 178.973 176.600 0.051 0.000 1.050 476 K CA 2.183 58.500 56.287 0.050 0.000 0.929 476 K CB -0.453 32.072 32.500 0.042 0.000 0.714 476 K HN 0.527 nan 8.250 nan 0.000 0.443 477 T N -0.556 114.032 114.554 0.057 0.000 2.684 477 T HA -0.192 4.173 4.350 0.025 0.000 0.267 477 T C 1.749 176.488 174.700 0.065 0.000 1.036 477 T CA 1.430 63.567 62.100 0.062 0.000 1.148 477 T CB -0.391 68.511 68.868 0.057 0.000 0.863 477 T HN 0.286 nan 8.240 nan 0.000 0.436 478 E N 1.110 121.348 120.200 0.062 0.000 2.070 478 E HA -0.093 4.272 4.350 0.025 0.000 0.197 478 E C 2.275 178.903 176.600 0.047 0.000 1.004 478 E CA 1.542 57.979 56.400 0.061 0.000 0.805 478 E CB -0.384 29.361 29.700 0.074 0.000 0.744 478 E HN 0.524 nan 8.360 nan 0.000 0.451 479 L N 0.275 121.514 121.223 0.027 0.000 2.068 479 L HA -0.170 4.185 4.340 0.025 0.000 0.204 479 L C 2.720 179.618 176.870 0.046 0.000 1.076 479 L CA 0.816 55.647 54.840 -0.014 0.000 0.753 479 L CB -0.354 41.654 42.059 -0.083 0.000 0.910 479 L HN 0.093 nan 8.230 nan 0.000 0.439 480 Q N 0.735 120.581 119.800 0.077 0.000 2.096 480 Q HA -0.259 4.096 4.340 0.025 0.000 0.208 480 Q C 2.175 178.270 176.000 0.157 0.000 0.993 480 Q CA 2.391 58.289 55.803 0.158 0.000 0.862 480 Q CB -0.351 28.464 28.738 0.129 0.000 0.915 480 Q HN 0.442 nan 8.270 nan 0.000 0.416 481 A N 0.302 123.191 122.820 0.114 0.000 1.869 481 A HA -0.236 4.099 4.320 0.025 0.000 0.218 481 A C 2.168 179.811 177.584 0.099 0.000 1.203 481 A CA 1.981 54.092 52.037 0.123 0.000 0.638 481 A CB -1.031 18.034 19.000 0.109 0.000 0.831 481 A HN 0.525 nan 8.150 nan 0.000 0.450 482 I N -2.095 118.512 120.570 0.061 0.000 2.286 482 I HA -0.262 3.923 4.170 0.025 0.000 0.248 482 I C 2.483 178.601 176.117 0.002 0.000 1.115 482 I CA 1.673 62.975 61.300 0.004 0.000 1.392 482 I CB -0.422 37.565 38.000 -0.022 0.000 1.065 482 I HN 0.537 nan 8.210 nan 0.000 0.418 483 Y N 1.683 121.934 120.300 -0.082 0.000 2.224 483 Y HA -0.175 4.389 4.550 0.024 0.000 0.289 483 Y C 2.181 178.031 175.900 -0.083 0.000 1.146 483 Y CA 1.410 59.455 58.100 -0.092 0.000 1.182 483 Y CB -0.363 38.058 38.460 -0.064 0.000 0.983 483 Y HN 0.047 nan 8.280 nan 0.000 0.524 484 L N -0.695 120.451 121.223 -0.128 0.000 2.109 484 L HA -0.115 4.240 4.340 0.025 0.000 0.207 484 L C 2.764 179.500 176.870 -0.224 0.000 1.086 484 L CA 0.894 55.650 54.840 -0.140 0.000 0.760 484 L CB -0.988 41.145 42.059 0.122 0.000 0.910 484 L HN 0.232 nan 8.230 nan 0.000 0.437 485 A N 0.581 123.246 122.820 -0.258 0.000 1.883 485 A HA -0.201 4.133 4.320 0.025 0.000 0.217 485 A C 2.257 179.300 177.584 -0.901 0.000 1.186 485 A CA 1.678 53.330 52.037 -0.643 0.000 0.624 485 A CB -0.770 18.000 19.000 -0.383 0.000 0.822 485 A HN 0.354 nan 8.150 nan 0.000 0.444 486 L N -1.139 119.774 121.223 -0.516 0.000 2.056 486 L HA -0.221 4.134 4.340 0.025 0.000 0.207 486 L C 2.881 179.535 176.870 -0.361 0.000 1.078 486 L CA 1.479 56.073 54.840 -0.410 0.000 0.749 486 L CB -0.579 41.344 42.059 -0.227 0.000 0.901 486 L HN 0.476 nan 8.230 nan 0.000 0.433 487 Q N -0.268 119.302 119.800 -0.384 0.000 2.170 487 Q HA -0.191 4.164 4.340 0.025 0.000 0.203 487 Q C 0.861 176.732 176.000 -0.215 0.000 0.976 487 Q CA 1.266 56.880 55.803 -0.315 0.000 0.858 487 Q CB 0.050 28.537 28.738 -0.419 0.000 0.907 487 Q HN 0.460 nan 8.270 nan 0.000 0.433 488 D N -0.327 119.932 120.400 -0.235 0.000 2.369 488 D HA 0.033 4.687 4.640 0.025 0.000 0.211 488 D C -0.155 176.092 176.300 -0.087 0.000 1.077 488 D CA 0.148 54.092 54.000 -0.093 0.000 0.842 488 D CB 0.430 41.278 40.800 0.079 0.000 0.947 488 D HN 0.083 nan 8.370 nan 0.000 0.509 489 S N -0.917 114.603 115.700 -0.301 0.000 2.651 489 S HA 0.716 5.201 4.470 0.025 0.000 0.291 489 S C 0.898 175.435 174.600 -0.107 0.000 1.141 489 S CA -0.846 57.213 58.200 -0.236 0.000 1.027 489 S CB 2.008 64.826 63.200 -0.636 0.000 1.043 489 S HN 0.059 nan 8.310 nan 0.000 0.530 490 G N 0.397 109.185 108.800 -0.020 0.000 2.466 490 G HA2 0.246 4.221 3.960 0.025 0.000 0.279 490 G HA3 0.246 4.221 3.960 0.025 0.000 0.279 490 G C 0.607 175.489 174.900 -0.030 0.000 1.410 490 G CA -0.673 44.422 45.100 -0.007 0.000 1.065 490 G HN 0.627 nan 8.290 nan 0.000 0.547 491 L N -0.246 120.972 121.223 -0.009 0.000 2.549 491 L HA 0.140 4.495 4.340 0.025 0.000 0.229 491 L C 0.814 177.681 176.870 -0.005 0.000 1.158 491 L CA 1.416 56.251 54.840 -0.009 0.000 0.842 491 L CB -1.292 40.770 42.059 0.005 0.000 0.952 491 L HN 0.516 nan 8.230 nan 0.000 0.452 492 E N -1.165 119.035 120.200 -0.001 0.000 2.308 492 E HA 0.591 4.956 4.350 0.025 0.000 0.275 492 E C -1.183 175.425 176.600 0.013 0.000 0.890 492 E CA -0.381 56.026 56.400 0.012 0.000 0.754 492 E CB 2.683 32.401 29.700 0.030 0.000 1.207 492 E HN -0.163 nan 8.360 nan 0.000 0.426 493 V N 0.156 120.075 119.914 0.007 0.000 3.159 493 V HA 0.596 4.731 4.120 0.025 0.000 0.308 493 V C -0.818 175.316 176.094 0.066 0.000 1.190 493 V CA -1.170 61.138 62.300 0.013 0.000 1.037 493 V CB 2.352 34.086 31.823 -0.148 0.000 1.060 493 V HN 0.601 nan 8.190 nan 0.000 0.437 494 N N 1.051 119.815 118.700 0.107 0.000 2.258 494 N HA 0.780 5.535 4.740 0.025 0.000 0.299 494 N C -1.531 174.004 175.510 0.041 0.000 1.047 494 N CA -0.294 52.833 53.050 0.129 0.000 0.814 494 N CB 2.627 41.224 38.487 0.185 0.000 1.413 494 N HN 0.719 nan 8.380 nan 0.000 0.478 495 I N 1.162 121.690 120.570 -0.070 0.000 2.534 495 I HA 0.314 4.499 4.170 0.025 0.000 0.288 495 I C -0.327 175.679 176.117 -0.185 0.000 1.077 495 I CA -1.152 60.091 61.300 -0.096 0.000 1.051 495 I CB 2.327 40.265 38.000 -0.104 0.000 1.234 495 I HN 0.122 nan 8.210 nan 0.000 0.425 496 V N 3.367 123.130 119.914 -0.251 0.000 2.555 496 V HA 0.890 5.024 4.120 0.025 0.000 0.302 496 V C -0.652 175.348 176.094 -0.158 0.000 1.038 496 V CA 0.246 62.386 62.300 -0.267 0.000 0.887 496 V CB 1.909 33.462 31.823 -0.450 0.000 0.991 496 V HN 0.900 nan 8.190 nan 0.000 0.434 497 T N 2.258 116.746 114.554 -0.111 0.000 2.762 497 T HA 0.461 4.826 4.350 0.025 0.000 0.301 497 T C -0.176 174.430 174.700 -0.156 0.000 1.299 497 T CA 0.375 62.436 62.100 -0.065 0.000 1.005 497 T CB 1.965 70.841 68.868 0.014 0.000 1.377 497 T HN 0.997 nan 8.240 nan 0.000 0.504 498 D N -0.024 120.297 120.400 -0.132 0.000 2.389 498 D HA 0.234 4.889 4.640 0.025 0.000 0.206 498 D C 0.741 177.148 176.300 0.178 0.000 1.055 498 D CA -0.108 53.746 54.000 -0.244 0.000 0.856 498 D CB 0.149 40.805 40.800 -0.241 0.000 0.957 498 D HN 0.352 nan 8.370 nan 0.000 0.509 499 S N 0.574 116.400 115.700 0.210 0.000 2.737 499 S HA -0.109 4.376 4.470 0.025 0.000 0.315 499 S C 1.311 176.115 174.600 0.340 0.000 1.236 499 S CA -0.208 58.137 58.200 0.242 0.000 1.093 499 S CB 0.447 63.739 63.200 0.153 0.000 0.832 499 S HN 0.165 nan 8.310 nan 0.000 0.507 500 Q N 3.671 123.623 119.800 0.254 0.000 2.167 500 Q HA -0.119 4.236 4.340 0.025 0.000 0.202 500 Q C 1.267 177.301 176.000 0.058 0.000 0.970 500 Q CA 1.369 57.226 55.803 0.091 0.000 0.855 500 Q CB -0.293 28.477 28.738 0.055 0.000 0.911 500 Q HN 0.985 nan 8.270 nan 0.000 0.438 501 Y N 0.998 121.286 120.300 -0.021 0.000 2.200 501 Y HA -0.119 4.446 4.550 0.025 0.000 0.290 501 Y C 2.194 178.056 175.900 -0.063 0.000 1.137 501 Y CA 0.822 58.897 58.100 -0.043 0.000 1.163 501 Y CB -0.693 37.764 38.460 -0.005 0.000 0.988 501 Y HN 0.069 nan 8.280 nan 0.000 0.518 502 A N 0.181 123.068 122.820 0.112 0.000 1.917 502 A HA -0.241 4.094 4.320 0.025 0.000 0.219 502 A C 2.295 179.869 177.584 -0.017 0.000 1.182 502 A CA 1.935 53.978 52.037 0.010 0.000 0.633 502 A CB -1.301 17.737 19.000 0.064 0.000 0.819 502 A HN 0.493 nan 8.150 nan 0.000 0.448 503 L N 0.004 121.180 121.223 -0.079 0.000 2.083 503 L HA 0.003 4.358 4.340 0.025 0.000 0.209 503 L C 2.282 179.036 176.870 -0.193 0.000 1.083 503 L CA 2.171 56.853 54.840 -0.263 0.000 0.752 503 L CB -0.822 40.819 42.059 -0.697 0.000 0.899 503 L HN 0.288 nan 8.230 nan 0.000 0.433 504 G N -0.889 107.848 108.800 -0.105 0.000 2.625 504 G HA2 -0.132 3.842 3.960 0.025 0.000 0.214 504 G HA3 -0.132 3.842 3.960 0.025 0.000 0.214 504 G C 1.410 176.256 174.900 -0.090 0.000 1.132 504 G CA 0.967 46.001 45.100 -0.110 0.000 0.782 504 G HN 0.519 nan 8.290 nan 0.000 0.538 505 I N -0.492 120.058 120.570 -0.033 0.000 3.339 505 I HA 0.187 4.372 4.170 0.025 0.000 0.285 505 I C 2.260 178.388 176.117 0.019 0.000 1.201 505 I CA -0.026 61.263 61.300 -0.018 0.000 1.434 505 I CB 0.142 38.121 38.000 -0.035 0.000 1.152 505 I HN 0.052 nan 8.210 nan 0.000 0.443 506 I N 0.905 121.463 120.570 -0.020 0.000 2.286 506 I HA -0.325 3.860 4.170 0.025 0.000 0.248 506 I C 2.651 178.774 176.117 0.010 0.000 1.115 506 I CA 1.628 62.925 61.300 -0.003 0.000 1.392 506 I CB -0.224 37.744 38.000 -0.053 0.000 1.065 506 I HN 0.352 nan 8.210 nan 0.000 0.418 507 Q N 0.762 120.538 119.800 -0.039 0.000 2.083 507 Q HA -0.146 4.209 4.340 0.025 0.000 0.198 507 Q C 2.221 178.291 176.000 0.116 0.000 0.969 507 Q CA 1.641 57.429 55.803 -0.025 0.000 0.838 507 Q CB 0.012 28.643 28.738 -0.178 0.000 0.900 507 Q HN 0.521 nan 8.270 nan 0.000 0.436 508 A N -0.184 122.714 122.820 0.129 0.000 1.984 508 A HA -0.005 4.330 4.320 0.025 0.000 0.214 508 A C 0.507 178.280 177.584 0.315 0.000 1.173 508 A CA 0.494 52.730 52.037 0.332 0.000 0.673 508 A CB 0.106 19.261 19.000 0.259 0.000 0.830 508 A HN 0.522 nan 8.150 nan 0.000 0.453 509 Q N -0.651 119.272 119.800 0.205 0.000 2.452 509 Q HA -0.124 4.230 4.340 0.025 0.000 0.318 509 Q C -2.206 173.910 176.000 0.195 0.000 1.386 509 Q CA 0.485 56.398 55.803 0.184 0.000 0.872 509 Q CB -1.754 26.974 28.738 -0.017 0.000 1.151 509 Q HN 0.597 nan 8.270 nan 0.000 0.417 510 P HA -0.021 nan 4.420 nan 0.000 0.271 510 P C 0.057 177.561 177.300 0.339 0.000 1.233 510 P CA 0.572 63.845 63.100 0.288 0.000 0.789 510 P CB 0.562 32.426 31.700 0.274 0.000 0.951 511 D N -2.418 118.151 120.400 0.281 0.000 2.538 511 D HA 0.066 4.721 4.640 0.025 0.000 0.241 511 D C -0.208 176.163 176.300 0.117 0.000 1.297 511 D CA -0.013 54.133 54.000 0.245 0.000 0.804 511 D CB 0.064 41.065 40.800 0.334 0.000 1.122 511 D HN 0.333 nan 8.370 nan 0.000 0.519 512 Q N 0.148 120.038 119.800 0.150 0.000 2.289 512 Q HA 0.642 4.997 4.340 0.025 0.000 0.270 512 Q C -1.428 174.657 176.000 0.143 0.000 1.038 512 Q CA -0.786 55.083 55.803 0.110 0.000 0.812 512 Q CB 2.611 31.425 28.738 0.127 0.000 1.300 512 Q HN 0.041 nan 8.270 nan 0.000 0.427 513 S N 0.297 116.058 115.700 0.102 0.000 2.618 513 S HA 0.242 4.727 4.470 0.025 0.000 0.277 513 S C 0.150 174.802 174.600 0.086 0.000 1.138 513 S CA -0.394 57.884 58.200 0.131 0.000 0.844 513 S CB 1.429 64.713 63.200 0.141 0.000 1.127 513 S HN 0.775 nan 8.310 nan 0.000 0.474 514 E N 0.998 121.257 120.200 0.099 0.000 2.051 514 E HA 0.139 4.504 4.350 0.025 0.000 0.189 514 E C 0.605 177.239 176.600 0.058 0.000 0.979 514 E CA 0.704 57.143 56.400 0.065 0.000 0.803 514 E CB -0.271 29.464 29.700 0.059 0.000 0.761 514 E HN 0.276 nan 8.360 nan 0.000 0.451 515 S N 0.511 116.262 115.700 0.085 0.000 2.455 515 S HA 0.013 4.498 4.470 0.025 0.000 0.278 515 S C 0.750 175.350 174.600 -0.000 0.000 1.216 515 S CA -0.333 57.900 58.200 0.056 0.000 1.055 515 S CB 0.749 64.012 63.200 0.105 0.000 0.939 515 S HN 0.420 nan 8.310 nan 0.000 0.494 516 E N 4.325 124.508 120.200 -0.028 0.000 2.204 516 E HA -0.130 4.235 4.350 0.025 0.000 0.195 516 E C 1.682 178.200 176.600 -0.137 0.000 0.990 516 E CA 0.851 57.209 56.400 -0.070 0.000 0.821 516 E CB -0.043 29.619 29.700 -0.064 0.000 0.750 516 E HN 0.842 nan 8.360 nan 0.000 0.477 517 L N 0.141 121.279 121.223 -0.142 0.000 2.017 517 L HA -0.183 4.172 4.340 0.025 0.000 0.208 517 L C 2.288 178.995 176.870 -0.272 0.000 1.073 517 L CA 1.127 55.821 54.840 -0.243 0.000 0.745 517 L CB -0.145 41.816 42.059 -0.163 0.000 0.894 517 L HN 0.138 nan 8.230 nan 0.000 0.432 518 V N 0.227 120.033 119.914 -0.179 0.000 2.720 518 V HA -0.244 3.890 4.120 0.025 0.000 0.256 518 V C 2.068 178.079 176.094 -0.138 0.000 1.082 518 V CA 1.512 63.705 62.300 -0.179 0.000 1.101 518 V CB -0.795 30.946 31.823 -0.137 0.000 0.693 518 V HN 0.522 nan 8.190 nan 0.000 0.479 519 N N 0.088 118.714 118.700 -0.123 0.000 2.250 519 N HA -0.103 4.651 4.740 0.025 0.000 0.181 519 N C 1.922 177.337 175.510 -0.159 0.000 1.017 519 N CA 0.982 53.968 53.050 -0.108 0.000 0.866 519 N CB -0.124 38.313 38.487 -0.083 0.000 0.985 519 N HN 0.592 nan 8.380 nan 0.000 0.429 520 Q N 0.403 120.059 119.800 -0.239 0.000 2.172 520 Q HA 0.119 4.474 4.340 0.025 0.000 0.200 520 Q C 2.010 177.854 176.000 -0.259 0.000 0.964 520 Q CA 0.659 56.283 55.803 -0.298 0.000 0.855 520 Q CB 0.124 28.537 28.738 -0.542 0.000 0.918 520 Q HN 0.367 nan 8.270 nan 0.000 0.444 521 I N 0.474 120.871 120.570 -0.289 0.000 2.202 521 I HA -0.260 3.925 4.170 0.025 0.000 0.242 521 I C 2.091 178.116 176.117 -0.154 0.000 1.091 521 I CA 1.101 62.314 61.300 -0.145 0.000 1.368 521 I CB -0.259 37.641 38.000 -0.167 0.000 1.058 521 I HN 0.194 nan 8.210 nan 0.000 0.410 522 I N 0.631 121.099 120.570 -0.170 0.000 2.264 522 I HA -0.277 3.907 4.170 0.025 0.000 0.248 522 I C 2.567 178.573 176.117 -0.184 0.000 1.111 522 I CA 1.144 62.332 61.300 -0.187 0.000 1.382 522 I CB -0.417 37.536 38.000 -0.078 0.000 1.060 522 I HN 0.267 nan 8.210 nan 0.000 0.418 523 E N 0.629 120.747 120.200 -0.135 0.000 2.012 523 E HA -0.238 4.126 4.350 0.025 0.000 0.197 523 E C 2.163 178.714 176.600 -0.082 0.000 1.007 523 E CA 1.195 57.534 56.400 -0.102 0.000 0.816 523 E CB -0.568 29.091 29.700 -0.067 0.000 0.762 523 E HN 0.468 nan 8.360 nan 0.000 0.451 524 Q N 0.500 120.271 119.800 -0.049 0.000 2.112 524 Q HA -0.126 4.229 4.340 0.025 0.000 0.206 524 Q C 2.555 178.482 176.000 -0.121 0.000 0.987 524 Q CA 0.923 56.692 55.803 -0.056 0.000 0.858 524 Q CB -0.564 28.166 28.738 -0.013 0.000 0.905 524 Q HN 0.353 nan 8.270 nan 0.000 0.420 525 L N -0.004 121.095 121.223 -0.207 0.000 2.012 525 L HA -0.200 4.155 4.340 0.025 0.000 0.210 525 L C 2.408 179.147 176.870 -0.217 0.000 1.073 525 L CA 1.162 55.806 54.840 -0.328 0.000 0.748 525 L CB -0.566 41.059 42.059 -0.724 0.000 0.891 525 L HN 0.216 nan 8.230 nan 0.000 0.431 526 I N -0.678 119.809 120.570 -0.139 0.000 2.493 526 I HA -0.224 3.961 4.170 0.025 0.000 0.254 526 I C 2.507 178.656 176.117 0.053 0.000 1.160 526 I CA 0.777 62.114 61.300 0.061 0.000 1.445 526 I CB -0.363 37.712 38.000 0.125 0.000 1.086 526 I HN 0.248 nan 8.210 nan 0.000 0.433 527 K N 1.336 121.733 120.400 -0.004 0.000 2.026 527 K HA -0.037 4.297 4.320 0.025 0.000 0.208 527 K C 0.883 177.486 176.600 0.005 0.000 1.048 527 K CA 0.832 57.121 56.287 0.002 0.000 0.929 527 K CB -0.348 32.139 32.500 -0.022 0.000 0.713 527 K HN 0.245 nan 8.250 nan 0.000 0.439 528 K N 1.504 121.893 120.400 -0.019 0.000 2.397 528 K HA -0.051 4.283 4.320 0.025 0.000 0.265 528 K C 1.284 177.897 176.600 0.022 0.000 0.982 528 K CA 0.481 56.759 56.287 -0.015 0.000 0.931 528 K CB 0.367 32.840 32.500 -0.044 0.000 0.943 528 K HN 0.193 nan 8.250 nan 0.000 0.501 529 E N 0.673 120.886 120.200 0.023 0.000 2.166 529 E HA 0.004 4.369 4.350 0.025 0.000 0.192 529 E C -0.228 176.401 176.600 0.049 0.000 0.967 529 E CA 0.725 57.148 56.400 0.039 0.000 0.840 529 E CB 0.469 30.187 29.700 0.030 0.000 0.795 529 E HN 0.227 nan 8.360 nan 0.000 0.470 530 K N 1.002 121.427 120.400 0.041 0.000 2.535 530 K HA 0.413 4.748 4.320 0.025 0.000 0.250 530 K C -1.314 175.319 176.600 0.055 0.000 0.948 530 K CA -0.506 55.816 56.287 0.057 0.000 0.796 530 K CB 2.727 35.256 32.500 0.049 0.000 1.216 530 K HN -0.173 nan 8.250 nan 0.000 0.432 531 V N 2.930 122.895 119.914 0.084 0.000 2.577 531 V HA 0.365 4.499 4.120 0.025 0.000 0.303 531 V C -1.417 174.769 176.094 0.153 0.000 1.042 531 V CA -0.993 61.349 62.300 0.070 0.000 0.872 531 V CB 1.761 33.599 31.823 0.024 0.000 0.998 531 V HN 0.724 nan 8.190 nan 0.000 0.423 532 Y N 5.353 125.653 120.300 0.001 0.000 2.426 532 Y HA 0.612 5.176 4.550 0.024 0.000 0.325 532 Y C -0.963 174.938 175.900 0.002 0.000 0.989 532 Y CA -0.868 57.239 58.100 0.013 0.000 1.284 532 Y CB 1.348 39.816 38.460 0.013 0.000 1.104 532 Y HN 0.635 nan 8.280 nan 0.000 0.481 533 L N 6.075 127.048 121.223 -0.418 0.000 2.260 533 L HA 0.755 5.109 4.340 0.025 0.000 0.289 533 L C -0.347 176.157 176.870 -0.610 0.000 1.057 533 L CA -0.486 54.123 54.840 -0.384 0.000 0.811 533 L CB 0.560 42.519 42.059 -0.167 0.000 1.184 533 L HN 0.846 nan 8.230 nan 0.000 0.429 534 A N 4.915 127.414 122.820 -0.535 0.000 2.350 534 A HA 0.530 4.864 4.320 0.025 0.000 0.324 534 A C -1.729 175.835 177.584 -0.033 0.000 1.118 534 A CA -0.486 51.342 52.037 -0.349 0.000 0.783 534 A CB 1.114 19.920 19.000 -0.322 0.000 1.236 534 A HN 0.804 nan 8.150 nan 0.000 0.457 535 W N 2.457 123.671 121.300 -0.144 0.000 2.761 535 W HA 0.622 5.297 4.660 0.025 0.000 0.340 535 W C -0.964 175.522 176.519 -0.055 0.000 1.072 535 W CA -0.499 56.790 57.345 -0.094 0.000 1.215 535 W CB 1.941 31.355 29.460 -0.078 0.000 1.420 535 W HN 0.981 nan 8.180 nan 0.000 0.519 536 V N 2.681 122.017 119.914 -0.964 0.000 3.087 536 V HA 0.692 4.827 4.120 0.025 0.000 0.306 536 V C -2.930 172.221 176.094 -1.572 0.000 1.187 536 V CA -2.994 58.709 62.300 -0.995 0.000 0.999 536 V CB 1.658 33.227 31.823 -0.424 0.000 1.049 536 V HN 0.485 nan 8.190 nan 0.000 0.431 537 P HA 0.430 nan 4.420 nan 0.000 0.271 537 P C 0.075 177.140 177.300 -0.390 0.000 1.216 537 P CA 0.598 63.299 63.100 -0.666 0.000 0.771 537 P CB 0.866 32.376 31.700 -0.316 0.000 0.864 538 A N 3.527 126.153 122.820 -0.324 0.000 2.267 538 A HA 0.207 4.542 4.320 0.025 0.000 0.276 538 A C 0.536 177.999 177.584 -0.202 0.000 1.336 538 A CA 0.205 52.056 52.037 -0.309 0.000 0.815 538 A CB -0.771 17.952 19.000 -0.462 0.000 1.256 538 A HN 0.752 nan 8.150 nan 0.000 0.512 539 H N -2.468 116.586 119.070 -0.026 0.000 3.329 539 H HA -0.132 4.439 4.556 0.025 0.000 0.245 539 H C -0.773 174.542 175.328 -0.022 0.000 1.099 539 H CA 1.655 57.693 56.048 -0.015 0.000 1.186 539 H CB -1.680 28.080 29.762 -0.005 0.000 1.243 539 H HN 0.513 nan 8.280 nan 0.000 0.319 540 K N 0.241 120.668 120.400 0.045 0.000 2.613 540 K HA 0.528 4.863 4.320 0.025 0.000 0.248 540 K C 0.427 177.023 176.600 -0.008 0.000 0.959 540 K CA 0.275 56.570 56.287 0.014 0.000 0.855 540 K CB 2.046 34.541 32.500 -0.008 0.000 1.143 540 K HN 0.296 nan 8.250 nan 0.000 0.437 541 G N 2.366 111.167 108.800 0.002 0.000 2.354 541 G HA2 0.316 4.291 3.960 0.025 0.000 0.266 541 G HA3 0.316 4.291 3.960 0.025 0.000 0.266 541 G C 0.266 175.161 174.900 -0.008 0.000 1.242 541 G CA -0.202 44.897 45.100 -0.002 0.000 0.923 541 G HN 0.596 nan 8.290 nan 0.000 0.476 542 I N 1.852 122.423 120.570 0.002 0.000 4.139 542 I HA 0.313 4.497 4.170 0.025 0.000 0.320 542 I C 1.515 177.609 176.117 -0.039 0.000 1.290 542 I CA 0.442 61.747 61.300 0.008 0.000 1.253 542 I CB 0.346 38.392 38.000 0.076 0.000 1.122 542 I HN 0.544 nan 8.210 nan 0.000 0.421 543 G N 0.000 108.789 108.800 -0.018 0.000 5.446 543 G HA2 0.000 3.975 3.960 0.025 0.000 0.244 543 G HA3 0.000 3.975 3.960 0.025 0.000 0.244 543 G CA 0.000 45.057 45.100 -0.071 0.000 0.502 543 G HN 0.000 nan 8.290 nan 0.000 0.925