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 3jyt_1_A DATA FIRST_RESID 1 DATA SEQUENCE PISPIETVPV KLKPGMDGPK VKQWPLTEEK IKALVEICTE MEKEGKISKI DATA SEQUENCE GPENPYNTPV FAIKRKDSTK WRKLVDFREL NKRTQDFWEV QLGIPHPAGL DATA SEQUENCE KKKKSVTVLD VGDAYFSVPL DEDFRKYTAF TIPSINNETP GIRYQYNVLP DATA SEQUENCE QGWKGSPAIF QSSMTKILEP FKKQNPDIVI YQYMDDLYVG SDLEIGQHRT DATA SEQUENCE KIEELRQHLL RWGLTTPDKK HQKEPPFLWM GYELHPDKWT VQPIVLPEKD DATA SEQUENCE SWTVNDICKL VGKLNWASQI YPGIKVRQLS 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 KGRQKVVPLT NTTNQKTELQ AIYLALQDSG LEVNIVTDSQ DATA SEQUENCE YALGIIQAQP DKSESELVNQ IIEQLIKKEK VYLAWVPAHK GIGGNEQVDK DATA SEQUENCE LVSA 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 0.000 177.339 177.300 0.065 0.000 1.155 1 P CA 0.000 63.128 63.100 0.046 0.000 0.800 1 P CB 0.000 31.714 31.700 0.023 0.000 0.726 2 I N 0.444 121.045 120.570 0.052 0.000 2.392 2 I HA 0.520 4.690 4.170 0.001 0.000 0.295 2 I C -0.011 176.137 176.117 0.052 0.000 0.985 2 I CA -0.294 61.045 61.300 0.065 0.000 1.221 2 I CB 1.464 39.494 38.000 0.051 0.000 1.366 2 I HN 0.279 nan 8.210 nan 0.000 0.467 3 S N 7.694 123.439 115.700 0.076 0.000 2.565 3 S HA 0.409 4.880 4.470 0.001 0.000 0.274 3 S C -1.445 173.192 174.600 0.062 0.000 1.309 3 S CA -1.327 56.920 58.200 0.078 0.000 1.043 3 S CB 1.042 64.322 63.200 0.134 0.000 0.939 3 S HN 0.577 nan 8.310 nan 0.000 0.504 4 P HA 0.108 nan 4.420 nan 0.000 0.245 4 P C 0.731 178.093 177.300 0.103 0.000 1.212 4 P CA -0.007 63.084 63.100 -0.016 0.000 0.774 4 P CB -0.039 31.547 31.700 -0.190 0.000 0.999 5 I N 1.129 121.849 120.570 0.249 0.000 2.948 5 I HA -0.046 4.124 4.170 0.001 0.000 0.290 5 I C 0.579 176.794 176.117 0.162 0.000 1.226 5 I CA 0.020 61.517 61.300 0.328 0.000 1.413 5 I CB 0.541 38.672 38.000 0.219 0.000 1.352 5 I HN -0.054 nan 8.210 nan 0.000 0.597 6 E N 4.568 124.855 120.200 0.145 0.000 2.529 6 E HA -0.066 4.284 4.350 0.001 0.000 0.259 6 E C 0.035 176.674 176.600 0.065 0.000 0.966 6 E CA 0.209 56.662 56.400 0.089 0.000 0.937 6 E CB 0.426 30.171 29.700 0.075 0.000 0.923 6 E HN 0.563 nan 8.360 nan 0.000 0.468 7 T N 1.681 116.271 114.554 0.059 0.000 2.802 7 T HA 0.151 4.502 4.350 0.001 0.000 0.305 7 T C -0.194 174.540 174.700 0.056 0.000 1.053 7 T CA -0.664 61.469 62.100 0.055 0.000 1.058 7 T CB 0.673 69.574 68.868 0.055 0.000 0.988 7 T HN 0.138 nan 8.240 nan 0.000 0.539 8 V N 5.459 125.411 119.914 0.063 0.000 2.459 8 V HA 0.410 4.530 4.120 0.001 0.000 0.295 8 V C -2.158 173.997 176.094 0.101 0.000 1.029 8 V CA -1.852 60.495 62.300 0.079 0.000 0.874 8 V CB 1.452 33.326 31.823 0.086 0.000 0.985 8 V HN 0.830 nan 8.190 nan 0.000 0.438 9 P HA 0.255 nan 4.420 nan 0.000 0.274 9 P C -0.834 176.531 177.300 0.107 0.000 1.291 9 P CA 0.024 63.182 63.100 0.097 0.000 0.815 9 P CB 0.543 32.287 31.700 0.072 0.000 0.897 10 V N 1.278 121.267 119.914 0.125 0.000 2.588 10 V HA 0.601 4.721 4.120 0.001 0.000 0.304 10 V C -0.352 175.861 176.094 0.198 0.000 1.042 10 V CA -0.848 61.510 62.300 0.097 0.000 0.877 10 V CB 2.311 34.185 31.823 0.084 0.000 0.996 10 V HN 0.225 nan 8.190 nan 0.000 0.425 11 K N 3.887 124.370 120.400 0.138 0.000 2.393 11 K HA 0.745 5.065 4.320 0.001 0.000 0.241 11 K C -0.974 175.754 176.600 0.214 0.000 1.055 11 K CA -0.965 55.438 56.287 0.193 0.000 0.951 11 K CB 1.995 34.544 32.500 0.081 0.000 1.285 11 K HN 0.597 nan 8.250 nan 0.000 0.500 12 L N 1.108 122.409 121.223 0.129 0.000 2.331 12 L HA 0.351 4.692 4.340 0.001 0.000 0.268 12 L C 0.077 176.948 176.870 0.001 0.000 1.015 12 L CA -1.165 53.704 54.840 0.047 0.000 0.807 12 L CB 1.142 43.128 42.059 -0.120 0.000 1.293 12 L HN 0.357 nan 8.230 nan 0.000 0.451 13 K N 1.493 121.883 120.400 -0.016 0.000 2.451 13 K HA 0.138 4.458 4.320 0.001 0.000 0.280 13 K C -2.281 174.311 176.600 -0.012 0.000 1.020 13 K CA -1.400 54.876 56.287 -0.018 0.000 1.008 13 K CB 0.013 32.506 32.500 -0.013 0.000 0.917 13 K HN 0.213 nan 8.250 nan 0.000 0.478 14 P HA -0.146 nan 4.420 nan 0.000 0.261 14 P C 0.132 177.434 177.300 0.002 0.000 1.158 14 P CA 0.973 64.073 63.100 -0.000 0.000 0.758 14 P CB 0.219 31.919 31.700 -0.001 0.000 0.763 15 G N 3.172 111.977 108.800 0.008 0.000 2.325 15 G HA2 -0.196 3.764 3.960 0.001 0.000 0.274 15 G HA3 -0.196 3.764 3.960 0.001 0.000 0.274 15 G C -0.273 174.632 174.900 0.009 0.000 0.921 15 G CA -0.175 44.932 45.100 0.012 0.000 1.340 15 G HN 0.444 nan 8.290 nan 0.000 0.447 16 M N 0.152 119.752 119.600 0.000 0.000 2.471 16 M HA 0.319 4.799 4.480 0.001 0.000 0.284 16 M C -0.943 175.339 176.300 -0.029 0.000 1.203 16 M CA -0.825 54.469 55.300 -0.010 0.000 0.915 16 M CB 2.355 34.941 32.600 -0.024 0.000 1.734 16 M HN 0.350 nan 8.290 nan 0.000 0.485 17 D N 0.347 120.745 120.400 -0.004 0.000 2.592 17 D HA 0.732 5.372 4.640 0.001 0.000 0.259 17 D C 0.061 176.323 176.300 -0.062 0.000 1.144 17 D CA 0.117 54.138 54.000 0.033 0.000 1.080 17 D CB 1.706 42.608 40.800 0.169 0.000 1.225 17 D HN 0.715 nan 8.370 nan 0.000 0.619 18 G N -0.204 108.604 108.800 0.013 0.000 2.634 18 G HA2 0.392 4.353 3.960 0.001 0.000 0.255 18 G HA3 0.392 4.353 3.960 0.001 0.000 0.255 18 G C -2.223 172.784 174.900 0.177 0.000 1.205 18 G CA -0.821 44.162 45.100 -0.195 0.000 0.884 18 G HN 0.414 nan 8.290 nan 0.000 0.549 19 P HA 0.233 nan 4.420 nan 0.000 0.271 19 P C -0.810 176.655 177.300 0.276 0.000 1.218 19 P CA -0.034 63.192 63.100 0.210 0.000 0.780 19 P CB 1.172 33.007 31.700 0.224 0.000 0.901 20 K N 0.974 121.492 120.400 0.197 0.000 3.257 20 K HA 0.249 4.569 4.320 0.001 0.000 0.196 20 K C -0.433 176.235 176.600 0.114 0.000 1.089 20 K CA -0.357 56.025 56.287 0.159 0.000 0.959 20 K CB 1.248 33.827 32.500 0.130 0.000 0.719 20 K HN 0.226 nan 8.250 nan 0.000 0.446 21 V N 0.774 120.760 119.914 0.119 0.000 2.617 21 V HA 0.420 4.541 4.120 0.001 0.000 0.298 21 V C -0.160 175.980 176.094 0.077 0.000 1.048 21 V CA -0.477 61.886 62.300 0.104 0.000 0.964 21 V CB 1.607 33.508 31.823 0.129 0.000 1.004 21 V HN 0.201 nan 8.190 nan 0.000 0.466 22 K N 3.688 124.129 120.400 0.068 0.000 2.140 22 K HA 0.318 4.638 4.320 0.001 0.000 0.237 22 K C -0.300 176.273 176.600 -0.044 0.000 1.045 22 K CA -0.002 56.300 56.287 0.026 0.000 0.896 22 K CB 0.657 33.179 32.500 0.036 0.000 1.122 22 K HN 0.803 nan 8.250 nan 0.000 0.503 23 Q N 2.403 122.133 119.800 -0.117 0.000 2.421 23 Q HA 0.216 4.556 4.340 0.001 0.000 0.242 23 Q C -1.140 174.706 176.000 -0.258 0.000 1.024 23 Q CA -0.335 55.272 55.803 -0.326 0.000 0.891 23 Q CB 0.213 28.814 28.738 -0.229 0.000 1.222 23 Q HN 0.475 nan 8.270 nan 0.000 0.483 24 W N 4.112 125.410 121.300 -0.003 0.000 2.591 24 W HA 0.299 4.959 4.660 0.001 0.000 0.330 24 W C -2.215 174.300 176.519 -0.005 0.000 1.435 24 W CA -2.423 54.914 57.345 -0.013 0.000 1.350 24 W CB -0.799 28.637 29.460 -0.039 0.000 1.434 24 W HN 0.479 nan 8.180 nan 0.000 0.553 25 P HA -0.124 nan 4.420 nan 0.000 0.267 25 P C -0.052 177.344 177.300 0.160 0.000 1.158 25 P CA 0.900 64.062 63.100 0.104 0.000 0.756 25 P CB 0.515 32.270 31.700 0.092 0.000 0.766 26 L N 0.417 121.698 121.223 0.097 0.000 2.279 26 L HA 0.544 4.885 4.340 0.001 0.000 0.262 26 L C 0.999 177.920 176.870 0.086 0.000 1.019 26 L CA -1.113 53.800 54.840 0.122 0.000 0.823 26 L CB 1.463 43.575 42.059 0.089 0.000 1.358 26 L HN 0.319 nan 8.230 nan 0.000 0.432 27 T N -3.106 111.506 114.554 0.096 0.000 2.791 27 T HA -0.061 4.289 4.350 0.001 0.000 0.323 27 T C 0.815 175.538 174.700 0.038 0.000 1.082 27 T CA 0.037 62.180 62.100 0.073 0.000 1.084 27 T CB 0.688 69.613 68.868 0.095 0.000 0.992 27 T HN 0.849 nan 8.240 nan 0.000 0.547 28 E N -0.111 120.108 120.200 0.032 0.000 2.478 28 E HA -0.106 4.244 4.350 0.001 0.000 0.198 28 E C 1.709 178.307 176.600 -0.003 0.000 1.046 28 E CA 0.690 57.097 56.400 0.012 0.000 0.870 28 E CB 0.039 29.750 29.700 0.017 0.000 0.818 28 E HN 0.865 nan 8.360 nan 0.000 0.527 29 E N 0.752 120.958 120.200 0.010 0.000 2.045 29 E HA -0.127 4.223 4.350 0.001 0.000 0.190 29 E C 1.717 178.223 176.600 -0.157 0.000 0.968 29 E CA 0.475 56.872 56.400 -0.004 0.000 0.813 29 E CB 0.155 29.917 29.700 0.103 0.000 0.780 29 E HN 0.106 nan 8.360 nan 0.000 0.455 30 K N 0.677 120.990 120.400 -0.144 0.000 2.026 30 K HA -0.117 4.203 4.320 0.001 0.000 0.208 30 K C 2.332 178.766 176.600 -0.276 0.000 1.048 30 K CA 1.567 57.665 56.287 -0.315 0.000 0.929 30 K CB -0.261 32.206 32.500 -0.056 0.000 0.713 30 K HN 0.223 nan 8.250 nan 0.000 0.439 31 I N 1.655 122.148 120.570 -0.129 0.000 2.113 31 I HA -0.376 3.794 4.170 0.001 0.000 0.242 31 I C 2.315 178.354 176.117 -0.130 0.000 1.064 31 I CA 1.550 62.795 61.300 -0.093 0.000 1.320 31 I CB -0.408 37.566 38.000 -0.043 0.000 1.028 31 I HN 0.196 nan 8.210 nan 0.000 0.406 32 K N 0.494 120.810 120.400 -0.139 0.000 2.127 32 K HA -0.243 4.077 4.320 0.001 0.000 0.208 32 K C 2.120 178.599 176.600 -0.201 0.000 1.047 32 K CA 1.799 58.005 56.287 -0.134 0.000 0.927 32 K CB -0.216 32.220 32.500 -0.106 0.000 0.716 32 K HN 0.433 nan 8.250 nan 0.000 0.450 33 A N 0.452 123.047 122.820 -0.375 0.000 1.911 33 A HA -0.014 4.306 4.320 0.001 0.000 0.212 33 A C 1.989 179.391 177.584 -0.304 0.000 1.189 33 A CA 0.570 52.315 52.037 -0.487 0.000 0.639 33 A CB -0.274 18.014 19.000 -1.185 0.000 0.839 33 A HN 0.089 nan 8.150 nan 0.000 0.449 34 L N -0.239 120.832 121.223 -0.254 0.000 2.079 34 L HA -0.159 4.181 4.340 0.001 0.000 0.210 34 L C 2.349 179.179 176.870 -0.066 0.000 1.081 34 L CA 1.270 56.040 54.840 -0.116 0.000 0.752 34 L CB -0.411 41.617 42.059 -0.052 0.000 0.896 34 L HN 0.215 nan 8.230 nan 0.000 0.433 35 V N -0.838 119.037 119.914 -0.065 0.000 2.809 35 V HA -0.195 3.925 4.120 0.001 0.000 0.256 35 V C 2.343 178.410 176.094 -0.045 0.000 1.080 35 V CA 1.418 63.701 62.300 -0.028 0.000 1.102 35 V CB -0.351 31.462 31.823 -0.018 0.000 0.705 35 V HN 0.535 nan 8.190 nan 0.000 0.475 36 E N -0.249 119.906 120.200 -0.074 0.000 2.385 36 E HA -0.032 4.319 4.350 0.001 0.000 0.194 36 E C 1.980 178.551 176.600 -0.048 0.000 1.013 36 E CA 0.474 56.840 56.400 -0.057 0.000 0.866 36 E CB 0.177 29.834 29.700 -0.070 0.000 0.832 36 E HN 0.617 nan 8.360 nan 0.000 0.500 37 I N -0.081 120.452 120.570 -0.062 0.000 2.594 37 I HA -0.194 3.976 4.170 0.001 0.000 0.237 37 I C 2.322 178.387 176.117 -0.087 0.000 1.071 37 I CA 0.193 61.466 61.300 -0.045 0.000 1.427 37 I CB -0.315 37.670 38.000 -0.026 0.000 1.218 37 I HN 0.216 nan 8.210 nan 0.000 0.444 38 C N 0.805 120.023 119.300 -0.137 0.000 2.398 38 C HA -0.208 4.252 4.460 0.001 0.000 0.279 38 C C 2.957 177.809 174.990 -0.231 0.000 1.250 38 C CA 1.492 60.341 59.018 -0.281 0.000 1.786 38 C CB -1.424 26.069 27.740 -0.412 0.000 2.018 38 C HN 0.545 nan 8.230 nan 0.000 0.494 39 T N 0.429 114.915 114.554 -0.114 0.000 2.635 39 T HA -0.241 4.110 4.350 0.001 0.000 0.267 39 T C 1.752 176.416 174.700 -0.060 0.000 1.040 39 T CA 2.254 64.320 62.100 -0.056 0.000 1.156 39 T CB -0.296 68.556 68.868 -0.026 0.000 0.863 39 T HN 0.643 nan 8.240 nan 0.000 0.430 40 E N 0.511 120.677 120.200 -0.056 0.000 2.046 40 E HA 0.017 4.367 4.350 0.001 0.000 0.190 40 E C 2.187 178.747 176.600 -0.065 0.000 0.982 40 E CA 1.062 57.439 56.400 -0.040 0.000 0.800 40 E CB -0.410 29.282 29.700 -0.014 0.000 0.756 40 E HN 0.420 nan 8.360 nan 0.000 0.449 41 M N 0.473 120.008 119.600 -0.108 0.000 2.082 41 M HA -0.214 4.266 4.480 0.001 0.000 0.258 41 M C 2.266 178.456 176.300 -0.183 0.000 1.069 41 M CA 2.048 57.247 55.300 -0.168 0.000 1.102 41 M CB -0.153 32.281 32.600 -0.276 0.000 1.336 41 M HN 0.166 nan 8.290 nan 0.000 0.404 42 E N 0.010 120.090 120.200 -0.200 0.000 2.072 42 E HA -0.242 4.109 4.350 0.001 0.000 0.190 42 E C 1.920 178.482 176.600 -0.063 0.000 0.982 42 E CA 0.986 57.303 56.400 -0.139 0.000 0.803 42 E CB -0.179 29.451 29.700 -0.116 0.000 0.755 42 E HN 0.304 nan 8.360 nan 0.000 0.453 43 K N 1.168 121.538 120.400 -0.051 0.000 2.152 43 K HA -0.169 4.152 4.320 0.001 0.000 0.206 43 K C 1.303 177.889 176.600 -0.024 0.000 1.048 43 K CA 1.339 57.611 56.287 -0.026 0.000 0.933 43 K CB -0.044 32.444 32.500 -0.020 0.000 0.721 43 K HN 0.240 nan 8.250 nan 0.000 0.447 44 E N -1.106 119.073 120.200 -0.035 0.000 2.479 44 E HA 0.074 4.424 4.350 0.001 0.000 0.193 44 E C 0.663 177.246 176.600 -0.029 0.000 1.049 44 E CA 0.358 56.744 56.400 -0.023 0.000 0.870 44 E CB 0.178 29.870 29.700 -0.012 0.000 0.944 44 E HN 0.529 nan 8.360 nan 0.000 0.492 45 G N 2.245 111.019 108.800 -0.044 0.000 2.162 45 G HA2 -0.327 3.634 3.960 0.001 0.000 0.260 45 G HA3 -0.327 3.634 3.960 0.001 0.000 0.260 45 G C 0.991 175.852 174.900 -0.065 0.000 0.976 45 G CA 0.555 45.630 45.100 -0.041 0.000 0.655 45 G HN 0.170 nan 8.290 nan 0.000 0.533 46 K N -0.104 120.226 120.400 -0.117 0.000 2.365 46 K HA 0.173 4.493 4.320 0.001 0.000 0.199 46 K C 1.340 177.781 176.600 -0.266 0.000 1.045 46 K CA 1.438 57.609 56.287 -0.193 0.000 0.962 46 K CB 0.112 32.434 32.500 -0.296 0.000 0.759 46 K HN 0.973 nan 8.250 nan 0.000 0.469 47 I N -3.061 117.382 120.570 -0.213 0.000 2.722 47 I HA 0.286 4.457 4.170 0.001 0.000 0.292 47 I C -1.125 174.979 176.117 -0.022 0.000 1.267 47 I CA -0.810 60.401 61.300 -0.150 0.000 1.036 47 I CB 2.432 40.275 38.000 -0.262 0.000 1.281 47 I HN -0.333 nan 8.210 nan 0.000 0.423 48 S N 4.256 119.992 115.700 0.060 0.000 2.509 48 S HA 0.482 4.952 4.470 0.001 0.000 0.297 48 S C -0.166 174.518 174.600 0.139 0.000 1.118 48 S CA -0.908 57.343 58.200 0.086 0.000 1.074 48 S CB 1.573 64.796 63.200 0.038 0.000 1.038 48 S HN 0.533 nan 8.310 nan 0.000 0.498 49 K N 1.729 122.190 120.400 0.102 0.000 2.234 49 K HA 0.409 4.730 4.320 0.001 0.000 0.251 49 K C 0.076 176.601 176.600 -0.125 0.000 1.011 49 K CA -0.024 56.193 56.287 -0.117 0.000 0.889 49 K CB 0.201 32.585 32.500 -0.193 0.000 1.011 49 K HN 0.652 nan 8.250 nan 0.000 0.505 50 I N -3.674 116.771 120.570 -0.208 0.000 3.102 50 I HA 0.626 4.796 4.170 0.001 0.000 0.310 50 I C -0.197 175.828 176.117 -0.154 0.000 1.246 50 I CA -1.047 60.170 61.300 -0.138 0.000 0.979 50 I CB 2.207 40.144 38.000 -0.104 0.000 1.267 50 I HN 0.625 nan 8.210 nan 0.000 0.451 51 G N 0.845 109.579 108.800 -0.110 0.000 3.212 51 G HA2 0.593 4.553 3.960 0.001 0.000 0.188 51 G HA3 0.593 4.553 3.960 0.001 0.000 0.188 51 G C -2.178 172.668 174.900 -0.089 0.000 1.254 51 G CA -0.844 44.194 45.100 -0.104 0.000 0.957 51 G HN 0.501 nan 8.290 nan 0.000 0.596 52 P HA -0.072 nan 4.420 nan 0.000 0.220 52 P C 1.236 178.490 177.300 -0.076 0.000 1.148 52 P CA 1.221 64.277 63.100 -0.074 0.000 0.803 52 P CB 0.122 31.784 31.700 -0.064 0.000 0.782 53 E N -0.225 119.933 120.200 -0.070 0.000 2.463 53 E HA -0.125 4.225 4.350 0.001 0.000 0.201 53 E C 0.456 177.006 176.600 -0.083 0.000 1.045 53 E CA 0.474 56.832 56.400 -0.070 0.000 0.872 53 E CB -1.191 28.476 29.700 -0.055 0.000 0.797 53 E HN 0.193 nan 8.360 nan 0.000 0.538 54 N N 2.305 120.956 118.700 -0.082 0.000 2.589 54 N HA 0.106 4.846 4.740 0.001 0.000 0.232 54 N C -1.683 173.744 175.510 -0.139 0.000 1.015 54 N CA -1.760 51.247 53.050 -0.071 0.000 0.931 54 N CB 1.355 39.832 38.487 -0.017 0.000 1.150 54 N HN -0.082 nan 8.380 nan 0.000 0.512 55 P HA -0.078 nan 4.420 nan 0.000 0.226 55 P C -0.412 176.655 177.300 -0.389 0.000 1.153 55 P CA 0.968 63.805 63.100 -0.438 0.000 0.777 55 P CB 0.164 31.488 31.700 -0.626 0.000 0.794 56 Y N -0.282 120.036 120.300 0.031 0.000 2.519 56 Y HA 0.635 5.185 4.550 0.001 0.000 0.324 56 Y C 0.966 176.906 175.900 0.067 0.000 1.214 56 Y CA -0.969 57.172 58.100 0.069 0.000 1.260 56 Y CB 0.730 39.265 38.460 0.124 0.000 1.311 56 Y HN -0.154 nan 8.280 nan 0.000 0.505 57 N N -0.520 118.345 118.700 0.275 0.000 2.928 57 N HA 0.224 4.964 4.740 0.001 0.000 0.247 57 N C -2.009 173.601 175.510 0.167 0.000 1.141 57 N CA -0.198 52.966 53.050 0.190 0.000 0.977 57 N CB 2.217 40.767 38.487 0.105 0.000 1.663 57 N HN 0.821 nan 8.380 nan 0.000 0.509 58 T N 1.012 115.650 114.554 0.140 0.000 2.900 58 T HA 0.642 4.992 4.350 0.001 0.000 0.303 58 T C -3.051 171.626 174.700 -0.039 0.000 1.142 58 T CA -1.253 60.879 62.100 0.052 0.000 1.007 58 T CB 1.986 70.872 68.868 0.029 0.000 1.156 58 T HN 0.337 nan 8.240 nan 0.000 0.490 59 P HA 0.498 nan 4.420 nan 0.000 0.276 59 P C -0.712 176.431 177.300 -0.262 0.000 1.252 59 P CA -0.387 62.524 63.100 -0.315 0.000 0.802 59 P CB 1.266 32.570 31.700 -0.660 0.000 1.035 60 V N -1.786 117.959 119.914 -0.281 0.000 3.181 60 V HA 0.866 4.986 4.120 0.001 0.000 0.308 60 V C -0.955 175.238 176.094 0.164 0.000 1.214 60 V CA -0.816 61.477 62.300 -0.011 0.000 1.053 60 V CB 1.709 33.440 31.823 -0.154 0.000 1.069 60 V HN 0.665 nan 8.190 nan 0.000 0.441 61 F N -0.970 118.934 119.950 -0.077 0.000 3.215 61 F HA 1.064 5.591 4.527 0.001 0.000 0.326 61 F C -0.423 175.429 175.800 0.087 0.000 1.189 61 F CA -1.367 56.654 58.000 0.034 0.000 0.905 61 F CB 0.614 39.741 39.000 0.212 0.000 1.485 61 F HN 1.161 nan 8.300 nan 0.000 0.508 62 A N 0.188 123.135 122.820 0.212 0.000 2.527 62 A HA 0.924 5.245 4.320 0.001 0.000 0.293 62 A C -1.544 176.250 177.584 0.351 0.000 1.117 62 A CA -0.852 51.310 52.037 0.208 0.000 0.723 62 A CB 1.642 20.765 19.000 0.204 0.000 1.313 62 A HN 0.784 nan 8.150 nan 0.000 0.411 63 I N 0.454 121.247 120.570 0.372 0.000 2.827 63 I HA 0.350 4.521 4.170 0.001 0.000 0.298 63 I C -0.625 175.405 176.117 -0.144 0.000 1.235 63 I CA -1.024 60.347 61.300 0.120 0.000 1.021 63 I CB 2.409 40.396 38.000 -0.022 0.000 1.259 63 I HN 0.471 nan 8.210 nan 0.000 0.427 64 K N 3.587 123.719 120.400 -0.446 0.000 2.090 64 K HA 0.663 4.983 4.320 0.001 0.000 0.249 64 K C -0.507 175.895 176.600 -0.329 0.000 0.995 64 K CA -0.664 55.227 56.287 -0.661 0.000 0.914 64 K CB 1.595 33.656 32.500 -0.731 0.000 1.057 64 K HN 0.563 nan 8.250 nan 0.000 0.462 65 R N 0.486 120.814 120.500 -0.286 0.000 2.939 65 R HA 0.305 4.646 4.340 0.001 0.000 0.254 65 R C -0.457 175.756 176.300 -0.146 0.000 1.123 65 R CA -1.094 54.898 56.100 -0.179 0.000 1.020 65 R CB 0.719 30.932 30.300 -0.145 0.000 1.206 65 R HN 0.187 nan 8.270 nan 0.000 0.491 66 K N 2.277 122.614 120.400 -0.106 0.000 2.366 66 K HA -0.110 4.210 4.320 0.001 0.000 0.272 66 K C -0.477 176.079 176.600 -0.074 0.000 1.151 66 K CA 0.829 57.068 56.287 -0.080 0.000 1.173 66 K CB -0.509 31.957 32.500 -0.057 0.000 0.853 66 K HN 0.665 nan 8.250 nan 0.000 0.473 67 D N 1.105 121.459 120.400 -0.077 0.000 2.720 67 D HA -0.208 4.432 4.640 0.001 0.000 0.229 67 D C -1.161 175.098 176.300 -0.069 0.000 1.198 67 D CA 0.907 54.868 54.000 -0.066 0.000 0.639 67 D CB -0.396 40.378 40.800 -0.043 0.000 1.003 67 D HN 0.343 nan 8.370 nan 0.000 0.411 68 S N -0.926 114.714 115.700 -0.100 0.000 2.571 68 S HA 0.459 4.930 4.470 0.001 0.000 0.284 68 S C 1.086 175.613 174.600 -0.122 0.000 1.128 68 S CA -0.178 57.966 58.200 -0.093 0.000 0.970 68 S CB 1.539 64.685 63.200 -0.091 0.000 1.039 68 S HN 0.180 nan 8.310 nan 0.000 0.485 69 T N 2.375 116.889 114.554 -0.065 0.000 3.098 69 T HA 0.022 4.373 4.350 0.001 0.000 0.266 69 T C 0.722 175.418 174.700 -0.007 0.000 1.145 69 T CA 0.825 62.906 62.100 -0.031 0.000 1.092 69 T CB -0.182 68.701 68.868 0.024 0.000 0.908 69 T HN 0.415 nan 8.240 nan 0.000 0.526 70 K N 0.368 120.743 120.400 -0.042 0.000 2.185 70 K HA 0.303 4.623 4.320 0.001 0.000 0.271 70 K C -1.281 175.275 176.600 -0.072 0.000 1.013 70 K CA -0.641 55.661 56.287 0.024 0.000 0.943 70 K CB 0.593 33.096 32.500 0.005 0.000 0.998 70 K HN 0.152 nan 8.250 nan 0.000 0.468 71 W N 2.295 123.580 121.300 -0.025 0.000 2.706 71 W HA 0.417 5.077 4.660 0.001 0.000 0.346 71 W C -0.217 176.271 176.519 -0.052 0.000 1.071 71 W CA -0.659 56.667 57.345 -0.031 0.000 1.206 71 W CB 1.240 30.692 29.460 -0.012 0.000 1.413 71 W HN 0.436 nan 8.180 nan 0.000 0.542 72 R N 2.750 123.345 120.500 0.158 0.000 2.393 72 R HA 0.376 4.716 4.340 0.001 0.000 0.310 72 R C -0.580 175.752 176.300 0.052 0.000 0.968 72 R CA -0.751 55.367 56.100 0.030 0.000 0.867 72 R CB 0.944 31.197 30.300 -0.077 0.000 1.124 72 R HN 0.493 nan 8.270 nan 0.000 0.450 73 K N 5.934 126.378 120.400 0.073 0.000 2.234 73 K HA 0.309 4.629 4.320 0.001 0.000 0.277 73 K C -1.078 175.526 176.600 0.008 0.000 1.038 73 K CA -0.439 55.883 56.287 0.058 0.000 0.888 73 K CB 0.675 33.261 32.500 0.143 0.000 1.091 73 K HN 0.515 nan 8.250 nan 0.000 0.467 74 L N 3.601 124.700 121.223 -0.208 0.000 2.319 74 L HA 0.586 4.926 4.340 0.001 0.000 0.267 74 L C -0.767 176.012 176.870 -0.151 0.000 1.011 74 L CA -1.469 53.215 54.840 -0.260 0.000 0.818 74 L CB 2.120 43.768 42.059 -0.686 0.000 1.316 74 L HN 0.329 nan 8.230 nan 0.000 0.432 75 V N -0.040 119.838 119.914 -0.060 0.000 2.487 75 V HA 0.169 4.290 4.120 0.001 0.000 0.298 75 V C -0.365 175.694 176.094 -0.059 0.000 1.028 75 V CA -0.587 61.565 62.300 -0.247 0.000 0.860 75 V CB 1.866 33.160 31.823 -0.881 0.000 0.991 75 V HN 0.658 nan 8.190 nan 0.000 0.427 76 D N 3.584 124.030 120.400 0.077 0.000 2.671 76 D HA 0.114 4.755 4.640 0.001 0.000 0.228 76 D C 0.657 177.005 176.300 0.081 0.000 1.102 76 D CA 0.019 54.144 54.000 0.208 0.000 1.044 76 D CB -0.192 40.789 40.800 0.302 0.000 1.113 76 D HN 0.527 nan 8.370 nan 0.000 0.480 77 F N 0.848 120.931 119.950 0.222 0.000 2.754 77 F HA 0.095 4.622 4.527 0.001 0.000 0.303 77 F C 2.196 178.115 175.800 0.198 0.000 1.196 77 F CA -0.279 57.848 58.000 0.213 0.000 1.416 77 F CB 0.140 39.303 39.000 0.271 0.000 1.092 77 F HN 0.091 nan 8.300 nan 0.000 0.541 78 R N 0.241 120.923 120.500 0.304 0.000 2.134 78 R HA -0.223 4.118 4.340 0.001 0.000 0.248 78 R C 2.171 178.595 176.300 0.206 0.000 1.143 78 R CA 1.701 57.932 56.100 0.219 0.000 0.957 78 R CB -0.290 30.103 30.300 0.155 0.000 0.867 78 R HN 0.251 nan 8.270 nan 0.000 0.441 79 E N 0.731 121.057 120.200 0.209 0.000 2.007 79 E HA -0.192 4.159 4.350 0.001 0.000 0.194 79 E C 1.995 178.714 176.600 0.197 0.000 0.999 79 E CA 1.015 57.522 56.400 0.178 0.000 0.811 79 E CB -0.508 29.292 29.700 0.167 0.000 0.762 79 E HN 0.112 nan 8.360 nan 0.000 0.450 80 L N 2.480 123.870 121.223 0.278 0.000 2.010 80 L HA -0.288 4.053 4.340 0.001 0.000 0.219 80 L C 1.635 178.663 176.870 0.263 0.000 1.077 80 L CA 2.069 57.073 54.840 0.272 0.000 0.773 80 L CB -1.007 41.301 42.059 0.415 0.000 0.892 80 L HN 0.100 nan 8.230 nan 0.000 0.436 81 N N 0.136 119.012 118.700 0.294 0.000 2.060 81 N HA -0.259 4.481 4.740 0.001 0.000 0.195 81 N C 1.795 177.381 175.510 0.126 0.000 1.028 81 N CA 2.062 55.231 53.050 0.198 0.000 0.861 81 N CB -0.445 38.133 38.487 0.150 0.000 1.029 81 N HN 0.522 nan 8.380 nan 0.000 0.428 82 K N 0.839 121.309 120.400 0.116 0.000 2.044 82 K HA -0.075 4.245 4.320 0.001 0.000 0.210 82 K C 1.973 178.608 176.600 0.058 0.000 1.049 82 K CA 1.241 57.573 56.287 0.075 0.000 0.927 82 K CB -0.107 32.438 32.500 0.075 0.000 0.713 82 K HN 0.262 nan 8.250 nan 0.000 0.443 83 R N 0.235 120.774 120.500 0.065 0.000 2.299 83 R HA 0.050 4.390 4.340 0.001 0.000 0.197 83 R C 0.349 176.666 176.300 0.029 0.000 0.971 83 R CA 0.342 56.456 56.100 0.024 0.000 1.030 83 R CB 0.192 30.485 30.300 -0.010 0.000 0.932 83 R HN 0.038 nan 8.270 nan 0.000 0.477 84 T N 2.235 116.850 114.554 0.102 0.000 2.889 84 T HA 0.083 4.433 4.350 0.001 0.000 0.291 84 T C 0.194 174.906 174.700 0.020 0.000 0.995 84 T CA -0.597 61.603 62.100 0.167 0.000 1.092 84 T CB 1.498 70.567 68.868 0.335 0.000 0.954 84 T HN 0.232 nan 8.240 nan 0.000 0.506 85 Q N 1.960 121.729 119.800 -0.053 0.000 2.624 85 Q HA 0.167 4.507 4.340 0.001 0.000 0.256 85 Q C -0.849 174.933 176.000 -0.364 0.000 1.119 85 Q CA -0.215 55.466 55.803 -0.203 0.000 0.995 85 Q CB 0.078 28.646 28.738 -0.283 0.000 1.318 85 Q HN 0.680 nan 8.270 nan 0.000 0.534 86 D N -0.296 119.896 120.400 -0.346 0.000 2.350 86 D HA 0.500 5.140 4.640 0.001 0.000 0.245 86 D C -1.150 174.946 176.300 -0.340 0.000 1.036 86 D CA -0.663 53.169 54.000 -0.280 0.000 0.848 86 D CB 0.715 41.478 40.800 -0.060 0.000 1.307 86 D HN 0.382 nan 8.370 nan 0.000 0.469 87 F N -0.389 119.513 119.950 -0.079 0.000 2.461 87 F HA 0.432 4.960 4.527 0.001 0.000 0.332 87 F C 0.242 176.083 175.800 0.068 0.000 1.073 87 F CA -1.471 56.514 58.000 -0.024 0.000 1.017 87 F CB 0.773 39.707 39.000 -0.109 0.000 1.301 87 F HN 0.402 nan 8.300 nan 0.000 0.492 88 W N 2.149 123.534 121.300 0.142 0.000 2.283 88 W HA 0.367 5.028 4.660 0.001 0.000 0.317 88 W C -0.632 175.904 176.519 0.028 0.000 1.042 88 W CA -0.751 56.625 57.345 0.053 0.000 1.348 88 W CB 0.941 30.416 29.460 0.025 0.000 1.216 88 W HN 0.512 nan 8.180 nan 0.000 0.404 89 E N 2.715 122.609 120.200 -0.510 0.000 2.558 89 E HA -0.082 4.269 4.350 0.001 0.000 0.255 89 E C 0.616 176.907 176.600 -0.515 0.000 0.968 89 E CA 0.338 56.462 56.400 -0.460 0.000 0.939 89 E CB 1.610 31.048 29.700 -0.438 0.000 0.921 89 E HN 0.396 nan 8.360 nan 0.000 0.477 90 V N 3.932 123.706 119.914 -0.234 0.000 3.590 90 V HA 0.047 4.167 4.120 0.001 0.000 0.265 90 V C 0.445 176.482 176.094 -0.095 0.000 1.239 90 V CA 0.344 62.580 62.300 -0.108 0.000 1.117 90 V CB 0.194 32.007 31.823 -0.018 0.000 0.818 90 V HN 0.612 nan 8.190 nan 0.000 0.451 91 Q N 1.097 120.822 119.800 -0.125 0.000 2.431 91 Q HA 0.226 4.567 4.340 0.001 0.000 0.234 91 Q C 0.851 176.804 176.000 -0.078 0.000 1.203 91 Q CA 0.351 56.110 55.803 -0.073 0.000 0.902 91 Q CB 0.177 28.868 28.738 -0.079 0.000 1.455 91 Q HN 0.596 nan 8.270 nan 0.000 0.515 92 L N 1.238 122.431 121.223 -0.050 0.000 1.994 92 L HA 0.057 4.397 4.340 0.001 0.000 0.208 92 L C 1.317 178.162 176.870 -0.041 0.000 1.071 92 L CA 1.395 56.205 54.840 -0.051 0.000 0.745 92 L CB -0.598 41.450 42.059 -0.018 0.000 0.892 92 L HN 0.689 nan 8.230 nan 0.000 0.431 93 G N -1.152 107.638 108.800 -0.017 0.000 3.187 93 G HA2 0.605 4.565 3.960 0.001 0.000 0.175 93 G HA3 0.605 4.565 3.960 0.001 0.000 0.175 93 G C -1.120 173.776 174.900 -0.006 0.000 1.112 93 G CA -0.464 44.620 45.100 -0.027 0.000 0.821 93 G HN -0.025 nan 8.290 nan 0.000 0.636 94 I N 1.950 122.485 120.570 -0.058 0.000 2.722 94 I HA 0.355 4.525 4.170 0.001 0.000 0.295 94 I C -2.063 173.987 176.117 -0.111 0.000 1.161 94 I CA -1.615 59.609 61.300 -0.128 0.000 1.032 94 I CB 2.744 40.628 38.000 -0.194 0.000 1.244 94 I HN 0.365 nan 8.210 nan 0.000 0.421 95 P HA 0.192 nan 4.420 nan 0.000 0.274 95 P C -1.319 175.950 177.300 -0.051 0.000 1.237 95 P CA 0.019 63.148 63.100 0.048 0.000 0.793 95 P CB 1.111 33.007 31.700 0.326 0.000 0.977 96 H N 1.746 120.696 119.070 -0.201 0.000 2.840 96 H HA 0.155 4.711 4.556 0.001 0.000 0.340 96 H C -1.688 173.351 175.328 -0.481 0.000 1.004 96 H CA -2.000 53.816 56.048 -0.386 0.000 1.288 96 H CB 2.570 32.104 29.762 -0.381 0.000 1.607 96 H HN 0.171 nan 8.280 nan 0.000 0.522 97 P HA -0.316 nan 4.420 nan 0.000 0.222 97 P C 1.216 178.083 177.300 -0.721 0.000 1.159 97 P CA 2.280 64.765 63.100 -1.025 0.000 0.920 97 P CB -0.101 30.334 31.700 -2.109 0.000 0.793 98 A N -0.557 121.732 122.820 -0.884 0.000 2.194 98 A HA -0.081 4.239 4.320 0.001 0.000 0.220 98 A C 2.292 180.002 177.584 0.211 0.000 1.162 98 A CA 1.881 53.921 52.037 0.006 0.000 0.674 98 A CB -1.588 17.593 19.000 0.301 0.000 0.789 98 A HN 0.425 nan 8.150 nan 0.000 0.470 99 G N -1.288 107.422 108.800 -0.150 0.000 3.233 99 G HA2 0.432 4.392 3.960 0.001 0.000 0.234 99 G HA3 0.432 4.392 3.960 0.001 0.000 0.234 99 G C 0.290 175.164 174.900 -0.043 0.000 1.137 99 G CA -0.387 44.582 45.100 -0.219 0.000 0.763 99 G HN 0.364 nan 8.290 nan 0.000 0.549 100 L N 0.717 121.889 121.223 -0.084 0.000 2.371 100 L HA 0.398 4.738 4.340 0.001 0.000 0.272 100 L C 0.283 177.172 176.870 0.031 0.000 1.124 100 L CA -0.447 54.260 54.840 -0.222 0.000 0.816 100 L CB 1.320 43.066 42.059 -0.522 0.000 1.129 100 L HN -0.087 nan 8.230 nan 0.000 0.448 101 K N 1.454 121.870 120.400 0.026 0.000 2.098 101 K HA 0.278 4.599 4.320 0.001 0.000 0.258 101 K C -0.436 176.149 176.600 -0.026 0.000 0.973 101 K CA -1.001 55.356 56.287 0.116 0.000 0.898 101 K CB 1.275 33.862 32.500 0.145 0.000 1.057 101 K HN 0.187 nan 8.250 nan 0.000 0.447 102 K N 2.797 123.208 120.400 0.019 0.000 2.447 102 K HA 0.013 4.334 4.320 0.001 0.000 0.281 102 K C -0.680 175.895 176.600 -0.041 0.000 1.031 102 K CA 0.695 56.961 56.287 -0.036 0.000 1.019 102 K CB 0.425 32.962 32.500 0.062 0.000 0.918 102 K HN 0.248 nan 8.250 nan 0.000 0.476 103 K N 3.686 124.035 120.400 -0.085 0.000 2.267 103 K HA 0.175 4.496 4.320 0.001 0.000 0.246 103 K C 0.229 176.812 176.600 -0.028 0.000 0.954 103 K CA -0.784 55.476 56.287 -0.045 0.000 0.824 103 K CB 1.679 34.148 32.500 -0.052 0.000 1.167 103 K HN 0.425 nan 8.250 nan 0.000 0.431 104 K N 0.091 120.494 120.400 0.005 0.000 2.288 104 K HA 0.048 4.368 4.320 0.001 0.000 0.201 104 K C -0.302 176.317 176.600 0.031 0.000 1.048 104 K CA 0.921 57.222 56.287 0.022 0.000 0.956 104 K CB 0.342 32.863 32.500 0.035 0.000 0.746 104 K HN 0.404 nan 8.250 nan 0.000 0.461 105 S N -0.536 115.196 115.700 0.053 0.000 2.603 105 S HA 0.443 4.913 4.470 0.001 0.000 0.274 105 S C -1.593 173.020 174.600 0.022 0.000 1.168 105 S CA -0.986 57.246 58.200 0.054 0.000 0.963 105 S CB 2.047 65.417 63.200 0.283 0.000 1.078 105 S HN -0.105 nan 8.310 nan 0.000 0.477 106 V N 2.383 122.150 119.914 -0.246 0.000 2.864 106 V HA 0.849 4.969 4.120 0.001 0.000 0.314 106 V C -0.145 175.637 176.094 -0.520 0.000 1.073 106 V CA -0.448 61.526 62.300 -0.545 0.000 0.956 106 V CB 2.453 33.614 31.823 -1.103 0.000 1.023 106 V HN 0.915 nan 8.190 nan 0.000 0.435 107 T N 1.518 115.766 114.554 -0.510 0.000 2.868 107 T HA 0.702 5.053 4.350 0.001 0.000 0.306 107 T C -1.363 173.209 174.700 -0.215 0.000 1.224 107 T CA -0.494 61.535 62.100 -0.118 0.000 1.012 107 T CB 2.126 71.029 68.868 0.059 0.000 1.221 107 T HN 0.417 nan 8.240 nan 0.000 0.499 108 V N 2.374 122.339 119.914 0.086 0.000 2.686 108 V HA 0.637 4.758 4.120 0.001 0.000 0.306 108 V C -1.117 175.074 176.094 0.161 0.000 1.065 108 V CA -0.767 61.575 62.300 0.069 0.000 0.894 108 V CB 1.736 33.593 31.823 0.056 0.000 1.004 108 V HN 0.670 nan 8.190 nan 0.000 0.424 109 L N 3.214 124.525 121.223 0.147 0.000 2.388 109 L HA 0.720 5.060 4.340 0.001 0.000 0.264 109 L C -1.269 175.689 176.870 0.148 0.000 0.998 109 L CA -0.545 54.381 54.840 0.144 0.000 0.817 109 L CB 2.480 44.604 42.059 0.108 0.000 1.338 109 L HN 0.531 nan 8.230 nan 0.000 0.414 110 D N 1.792 122.269 120.400 0.128 0.000 2.440 110 D HA 0.296 4.936 4.640 0.001 0.000 0.252 110 D C -0.575 175.771 176.300 0.076 0.000 1.180 110 D CA -0.365 53.696 54.000 0.102 0.000 0.894 110 D CB 1.855 42.709 40.800 0.091 0.000 1.111 110 D HN 0.106 nan 8.370 nan 0.000 0.544 111 V N 2.749 122.716 119.914 0.087 0.000 2.720 111 V HA 0.269 4.389 4.120 0.001 0.000 0.307 111 V C 1.535 177.661 176.094 0.052 0.000 1.071 111 V CA 0.330 62.687 62.300 0.095 0.000 1.199 111 V CB 0.656 32.581 31.823 0.169 0.000 0.900 111 V HN 0.606 nan 8.190 nan 0.000 0.494 112 G N 2.452 111.285 108.800 0.056 0.000 2.395 112 G HA2 0.402 4.362 3.960 0.001 0.000 0.283 112 G HA3 0.402 4.362 3.960 0.001 0.000 0.283 112 G C -0.034 174.883 174.900 0.028 0.000 1.178 112 G CA -0.362 44.755 45.100 0.027 0.000 0.837 112 G HN 0.928 nan 8.290 nan 0.000 0.518 113 D N 0.564 120.942 120.400 -0.035 0.000 2.704 113 D HA -0.255 4.385 4.640 0.001 0.000 0.232 113 D C 1.623 177.924 176.300 0.003 0.000 1.183 113 D CA 0.822 54.781 54.000 -0.069 0.000 0.647 113 D CB -0.922 39.914 40.800 0.059 0.000 1.013 113 D HN 0.640 nan 8.370 nan 0.000 0.415 114 A N 0.394 123.179 122.820 -0.059 0.000 1.849 114 A HA -0.288 4.033 4.320 0.001 0.000 0.216 114 A C 1.823 179.635 177.584 0.381 0.000 1.225 114 A CA 1.618 53.710 52.037 0.091 0.000 0.653 114 A CB -0.769 18.047 19.000 -0.306 0.000 0.844 114 A HN 0.392 nan 8.150 nan 0.000 0.453 115 Y N -0.451 119.831 120.300 -0.030 0.000 2.069 115 Y HA -0.226 4.324 4.550 0.001 0.000 0.278 115 Y C 2.303 178.478 175.900 0.460 0.000 1.175 115 Y CA 0.834 59.082 58.100 0.247 0.000 1.134 115 Y CB -1.402 37.131 38.460 0.123 0.000 0.965 115 Y HN 0.413 nan 8.280 nan 0.000 0.498 116 F N -0.876 119.269 119.950 0.325 0.000 2.605 116 F HA -0.166 4.362 4.527 0.001 0.000 0.296 116 F C 1.813 177.712 175.800 0.165 0.000 1.146 116 F CA 0.433 58.556 58.000 0.205 0.000 1.478 116 F CB -0.240 38.828 39.000 0.115 0.000 1.107 116 F HN 0.004 nan 8.300 nan 0.000 0.600 117 S N -0.688 115.246 115.700 0.390 0.000 2.512 117 S HA 0.110 4.580 4.470 0.001 0.000 0.216 117 S C 0.453 175.179 174.600 0.210 0.000 1.006 117 S CA -0.097 58.258 58.200 0.258 0.000 0.915 117 S CB 0.530 63.874 63.200 0.239 0.000 0.824 117 S HN -0.075 nan 8.310 nan 0.000 0.497 118 V N 5.106 125.167 119.914 0.246 0.000 2.350 118 V HA 0.334 4.454 4.120 0.001 0.000 0.276 118 V C -2.441 173.735 176.094 0.136 0.000 1.028 118 V CA -2.421 59.965 62.300 0.144 0.000 0.860 118 V CB 0.949 32.828 31.823 0.094 0.000 0.990 118 V HN 0.107 nan 8.190 nan 0.000 0.453 119 P HA 0.073 nan 4.420 nan 0.000 0.267 119 P C -0.536 176.805 177.300 0.068 0.000 1.209 119 P CA -0.202 62.945 63.100 0.079 0.000 0.763 119 P CB 1.253 32.991 31.700 0.064 0.000 0.816 120 L N 4.328 125.588 121.223 0.062 0.000 2.395 120 L HA 0.246 4.586 4.340 0.001 0.000 0.269 120 L C 0.580 177.472 176.870 0.037 0.000 1.133 120 L CA -0.190 54.664 54.840 0.024 0.000 0.812 120 L CB 0.196 42.249 42.059 -0.010 0.000 1.125 120 L HN 0.403 nan 8.230 nan 0.000 0.452 121 D N 2.982 123.406 120.400 0.041 0.000 2.458 121 D HA -0.117 4.524 4.640 0.001 0.000 0.243 121 D C 0.755 177.102 176.300 0.080 0.000 1.146 121 D CA 0.144 54.186 54.000 0.070 0.000 0.877 121 D CB 0.984 41.840 40.800 0.092 0.000 1.176 121 D HN 0.786 nan 8.370 nan 0.000 0.461 122 E N 2.689 122.924 120.200 0.060 0.000 2.208 122 E HA -0.278 4.073 4.350 0.001 0.000 0.202 122 E C 0.791 177.411 176.600 0.034 0.000 1.014 122 E CA 2.143 58.568 56.400 0.042 0.000 0.819 122 E CB 0.166 29.886 29.700 0.033 0.000 0.735 122 E HN 0.529 nan 8.360 nan 0.000 0.469 123 D N -0.981 119.456 120.400 0.062 0.000 2.162 123 D HA -0.087 4.553 4.640 0.001 0.000 0.205 123 D C 1.660 177.968 176.300 0.012 0.000 0.964 123 D CA 0.649 54.673 54.000 0.040 0.000 0.847 123 D CB -0.464 40.386 40.800 0.082 0.000 0.988 123 D HN 0.249 nan 8.370 nan 0.000 0.480 124 F N 2.296 122.224 119.950 -0.036 0.000 2.234 124 F HA -0.072 4.455 4.527 0.001 0.000 0.299 124 F C 2.303 177.996 175.800 -0.179 0.000 1.087 124 F CA 0.963 58.948 58.000 -0.026 0.000 1.340 124 F CB 0.107 39.113 39.000 0.009 0.000 1.031 124 F HN -0.241 nan 8.300 nan 0.000 0.500 125 R N 0.479 121.014 120.500 0.058 0.000 2.208 125 R HA -0.299 4.041 4.340 0.001 0.000 0.262 125 R C 1.932 178.156 176.300 -0.127 0.000 1.166 125 R CA 2.247 58.348 56.100 0.002 0.000 0.987 125 R CB -0.548 29.764 30.300 0.020 0.000 0.887 125 R HN 0.318 nan 8.270 nan 0.000 0.459 126 K N -0.664 119.536 120.400 -0.333 0.000 2.218 126 K HA -0.197 4.123 4.320 0.001 0.000 0.205 126 K C 1.522 177.811 176.600 -0.518 0.000 1.046 126 K CA 1.634 57.662 56.287 -0.432 0.000 0.933 126 K CB -0.156 31.995 32.500 -0.581 0.000 0.728 126 K HN 0.336 nan 8.250 nan 0.000 0.454 127 Y N 0.293 120.341 120.300 -0.421 0.000 2.490 127 Y HA -0.035 4.515 4.550 0.001 0.000 0.285 127 Y C 2.142 177.988 175.900 -0.091 0.000 1.117 127 Y CA 0.749 58.546 58.100 -0.504 0.000 1.262 127 Y CB -0.691 37.254 38.460 -0.858 0.000 1.043 127 Y HN 0.047 nan 8.280 nan 0.000 0.553 128 T N -0.925 113.699 114.554 0.116 0.000 3.650 128 T HA 0.307 4.657 4.350 0.001 0.000 0.254 128 T C 0.704 175.687 174.700 0.472 0.000 1.130 128 T CA 0.058 62.365 62.100 0.345 0.000 0.984 128 T CB -1.128 67.856 68.868 0.194 0.000 1.039 128 T HN 0.247 nan 8.240 nan 0.000 0.586 129 A N 1.648 124.679 122.820 0.351 0.000 2.450 129 A HA 0.591 4.911 4.320 0.001 0.000 0.255 129 A C -0.010 177.811 177.584 0.396 0.000 1.096 129 A CA -0.713 51.518 52.037 0.323 0.000 0.778 129 A CB -0.285 18.854 19.000 0.232 0.000 1.031 129 A HN 0.764 nan 8.150 nan 0.000 0.494 130 F N -0.477 119.550 119.950 0.129 0.000 2.726 130 F HA 0.870 5.397 4.527 0.001 0.000 0.324 130 F C -0.439 175.398 175.800 0.061 0.000 1.140 130 F CA -0.973 57.068 58.000 0.069 0.000 0.964 130 F CB 1.239 40.274 39.000 0.059 0.000 1.399 130 F HN 0.318 nan 8.300 nan 0.000 0.491 131 T N 2.238 116.898 114.554 0.177 0.000 2.928 131 T HA 0.520 4.870 4.350 0.001 0.000 0.296 131 T C -0.916 173.852 174.700 0.113 0.000 1.000 131 T CA -0.362 61.742 62.100 0.006 0.000 0.989 131 T CB 1.359 70.210 68.868 -0.028 0.000 1.005 131 T HN 0.581 nan 8.240 nan 0.000 0.442 132 I N 4.936 125.559 120.570 0.089 0.000 2.306 132 I HA 0.270 4.440 4.170 0.001 0.000 0.288 132 I C -2.089 174.052 176.117 0.039 0.000 1.036 132 I CA -2.298 59.078 61.300 0.127 0.000 1.221 132 I CB 1.354 39.486 38.000 0.221 0.000 1.385 132 I HN 0.290 nan 8.210 nan 0.000 0.472 133 P HA -0.062 nan 4.420 nan 0.000 0.271 133 P C -0.271 177.026 177.300 -0.005 0.000 1.228 133 P CA 0.206 63.301 63.100 -0.008 0.000 0.797 133 P CB 0.571 32.262 31.700 -0.015 0.000 0.914 134 S N -0.074 115.620 115.700 -0.010 0.000 2.638 134 S HA 0.355 4.826 4.470 0.001 0.000 0.298 134 S C 0.788 175.384 174.600 -0.006 0.000 1.111 134 S CA -0.601 57.593 58.200 -0.009 0.000 1.027 134 S CB 0.352 63.544 63.200 -0.014 0.000 1.064 134 S HN 0.329 nan 8.310 nan 0.000 0.525 135 I N 3.621 124.188 120.570 -0.006 0.000 2.339 135 I HA 0.072 4.243 4.170 0.001 0.000 0.245 135 I C 1.542 177.659 176.117 -0.000 0.000 1.096 135 I CA 1.558 62.857 61.300 -0.003 0.000 1.408 135 I CB -0.753 37.244 38.000 -0.005 0.000 1.092 135 I HN 0.904 nan 8.210 nan 0.000 0.423 136 N N 0.413 119.111 118.700 -0.002 0.000 2.626 136 N HA -0.143 4.597 4.740 0.001 0.000 0.193 136 N C 0.182 175.691 175.510 -0.001 0.000 1.213 136 N CA 0.536 53.585 53.050 -0.001 0.000 0.914 136 N CB -0.668 37.817 38.487 -0.003 0.000 0.994 136 N HN 0.279 nan 8.380 nan 0.000 0.447 137 N N -0.083 118.616 118.700 -0.001 0.000 2.701 137 N HA -0.252 4.488 4.740 0.001 0.000 0.250 137 N C 0.095 175.603 175.510 -0.004 0.000 1.046 137 N CA 1.255 54.305 53.050 -0.001 0.000 0.733 137 N CB -0.630 37.859 38.487 0.004 0.000 0.973 137 N HN 0.780 nan 8.380 nan 0.000 0.541 138 E N -0.394 119.801 120.200 -0.008 0.000 2.694 138 E HA 0.107 4.458 4.350 0.001 0.000 0.224 138 E C -0.297 176.294 176.600 -0.016 0.000 1.068 138 E CA -0.047 56.347 56.400 -0.010 0.000 1.043 138 E CB 0.101 29.795 29.700 -0.010 0.000 2.367 138 E HN 0.142 nan 8.360 nan 0.000 0.565 139 T N 4.359 118.902 114.554 -0.019 0.000 2.819 139 T HA 0.027 4.377 4.350 0.001 0.000 0.282 139 T C -2.419 172.263 174.700 -0.031 0.000 1.013 139 T CA -0.545 61.540 62.100 -0.026 0.000 1.159 139 T CB 0.416 69.267 68.868 -0.027 0.000 1.007 139 T HN 0.134 nan 8.240 nan 0.000 0.514 140 P HA 0.193 nan 4.420 nan 0.000 0.265 140 P C 0.745 178.011 177.300 -0.058 0.000 1.193 140 P CA -0.077 62.997 63.100 -0.045 0.000 0.765 140 P CB 0.335 32.006 31.700 -0.049 0.000 0.823 141 G N 3.094 111.860 108.800 -0.056 0.000 2.670 141 G HA2 0.079 4.039 3.960 0.001 0.000 0.233 141 G HA3 0.079 4.039 3.960 0.001 0.000 0.233 141 G C -0.114 174.717 174.900 -0.116 0.000 1.251 141 G CA -0.435 44.625 45.100 -0.066 0.000 0.849 141 G HN 0.448 nan 8.290 nan 0.000 0.588 142 I N 0.364 120.850 120.570 -0.139 0.000 2.440 142 I HA 0.393 4.564 4.170 0.001 0.000 0.294 142 I C 0.515 176.372 176.117 -0.434 0.000 0.995 142 I CA -0.454 60.670 61.300 -0.294 0.000 1.306 142 I CB 1.350 39.177 38.000 -0.290 0.000 1.407 142 I HN 0.383 nan 8.210 nan 0.000 0.501 143 R N 5.161 125.297 120.500 -0.607 0.000 2.637 143 R HA 0.737 5.078 4.340 0.001 0.000 0.291 143 R C -1.562 174.233 176.300 -0.840 0.000 0.963 143 R CA -0.787 54.957 56.100 -0.594 0.000 0.901 143 R CB 1.797 31.896 30.300 -0.335 0.000 1.160 143 R HN 0.452 nan 8.270 nan 0.000 0.457 144 Y N -0.426 119.498 120.300 -0.627 0.000 2.829 144 Y HA 0.333 4.883 4.550 0.001 0.000 0.322 144 Y C -0.656 175.053 175.900 -0.318 0.000 1.357 144 Y CA -1.171 56.650 58.100 -0.465 0.000 1.081 144 Y CB 1.818 40.002 38.460 -0.461 0.000 1.339 144 Y HN 0.503 nan 8.280 nan 0.000 0.469 145 Q N -0.550 119.366 119.800 0.194 0.000 2.377 145 Q HA 0.503 4.843 4.340 0.001 0.000 0.279 145 Q C -2.149 174.081 176.000 0.385 0.000 1.049 145 Q CA -1.119 54.899 55.803 0.358 0.000 0.825 145 Q CB 2.026 30.876 28.738 0.186 0.000 1.401 145 Q HN 0.543 nan 8.270 nan 0.000 0.404 146 Y N 1.393 121.821 120.300 0.213 0.000 2.397 146 Y HA 0.162 4.712 4.550 0.001 0.000 0.335 146 Y C 0.928 176.843 175.900 0.024 0.000 1.213 146 Y CA -0.072 58.076 58.100 0.079 0.000 1.391 146 Y CB 0.683 39.172 38.460 0.047 0.000 1.293 146 Y HN 0.734 nan 8.280 nan 0.000 0.557 147 N N 0.741 119.497 118.700 0.094 0.000 2.171 147 N HA 0.135 4.876 4.740 0.001 0.000 0.212 147 N C -0.981 174.573 175.510 0.074 0.000 1.184 147 N CA 0.323 53.410 53.050 0.062 0.000 0.888 147 N CB 1.121 39.619 38.487 0.018 0.000 1.038 147 N HN 0.349 nan 8.380 nan 0.000 0.517 148 V N -2.269 117.715 119.914 0.117 0.000 3.078 148 V HA 0.521 4.641 4.120 0.001 0.000 0.311 148 V C 0.161 176.416 176.094 0.268 0.000 1.138 148 V CA -1.202 61.199 62.300 0.167 0.000 1.007 148 V CB 1.805 33.732 31.823 0.174 0.000 1.045 148 V HN -0.124 nan 8.190 nan 0.000 0.432 149 L N 4.138 125.510 121.223 0.247 0.000 2.706 149 L HA 0.164 4.505 4.340 0.001 0.000 0.282 149 L C -1.879 175.253 176.870 0.437 0.000 1.219 149 L CA -0.349 54.619 54.840 0.213 0.000 0.935 149 L CB 0.260 42.362 42.059 0.071 0.000 1.204 149 L HN 0.589 nan 8.230 nan 0.000 0.491 150 P HA 0.065 nan 4.420 nan 0.000 0.282 150 P C -1.181 176.400 177.300 0.467 0.000 1.249 150 P CA -0.764 62.441 63.100 0.174 0.000 0.806 150 P CB 1.070 32.476 31.700 -0.490 0.000 0.984 151 Q N 1.204 121.352 119.800 0.581 0.000 2.381 151 Q HA 0.421 4.761 4.340 0.001 0.000 0.243 151 Q C 0.901 177.106 176.000 0.341 0.000 1.154 151 Q CA 0.879 56.958 55.803 0.460 0.000 0.899 151 Q CB -0.874 28.048 28.738 0.308 0.000 1.396 151 Q HN 0.850 nan 8.270 nan 0.000 0.485 152 G N 3.179 112.206 108.800 0.378 0.000 2.183 152 G HA2 -0.209 3.752 3.960 0.001 0.000 0.168 152 G HA3 -0.209 3.752 3.960 0.001 0.000 0.168 152 G C -0.852 174.321 174.900 0.456 0.000 1.008 152 G CA -0.502 44.807 45.100 0.349 0.000 0.677 152 G HN 0.583 nan 8.290 nan 0.000 0.498 153 W N 2.523 123.911 121.300 0.148 0.000 2.272 153 W HA 0.621 5.281 4.660 0.001 0.000 0.318 153 W C 1.208 177.686 176.519 -0.070 0.000 1.255 153 W CA -0.798 56.495 57.345 -0.088 0.000 1.200 153 W CB 1.009 30.246 29.460 -0.372 0.000 1.170 153 W HN -0.006 nan 8.180 nan 0.000 0.549 154 K N 2.686 122.830 120.400 -0.426 0.000 2.189 154 K HA -0.203 4.117 4.320 0.001 0.000 0.207 154 K C 1.626 177.727 176.600 -0.832 0.000 1.046 154 K CA 2.018 58.020 56.287 -0.474 0.000 0.928 154 K CB -0.467 31.853 32.500 -0.301 0.000 0.720 154 K HN 0.788 nan 8.250 nan 0.000 0.458 155 G N -0.834 106.952 108.800 -1.690 0.000 2.595 155 G HA2 -0.082 3.879 3.960 0.001 0.000 0.213 155 G HA3 -0.082 3.879 3.960 0.001 0.000 0.213 155 G C 1.368 175.580 174.900 -1.147 0.000 1.141 155 G CA 0.312 44.211 45.100 -2.001 0.000 0.806 155 G HN 0.212 nan 8.290 nan 0.000 0.530 156 S N 2.011 117.370 115.700 -0.568 0.000 2.406 156 S HA -0.180 4.290 4.470 0.001 0.000 0.242 156 S C 0.108 174.400 174.600 -0.514 0.000 1.079 156 S CA 2.029 59.987 58.200 -0.403 0.000 1.133 156 S CB -1.014 61.957 63.200 -0.381 0.000 1.005 156 S HN 0.297 nan 8.310 nan 0.000 0.443 157 P HA -0.148 nan 4.420 nan 0.000 0.208 157 P C 1.648 178.828 177.300 -0.200 0.000 1.180 157 P CA 1.802 64.795 63.100 -0.177 0.000 0.935 157 P CB -0.235 31.368 31.700 -0.161 0.000 0.785 158 A N -1.350 121.278 122.820 -0.320 0.000 2.032 158 A HA -0.215 4.105 4.320 0.001 0.000 0.221 158 A C 2.262 179.715 177.584 -0.219 0.000 1.165 158 A CA 1.631 53.508 52.037 -0.266 0.000 0.645 158 A CB -1.702 17.101 19.000 -0.328 0.000 0.807 158 A HN 0.133 nan 8.150 nan 0.000 0.453 159 I N -2.411 117.981 120.570 -0.297 0.000 2.162 159 I HA -0.169 4.002 4.170 0.001 0.000 0.238 159 I C 2.285 178.328 176.117 -0.122 0.000 1.076 159 I CA 1.430 62.617 61.300 -0.190 0.000 1.353 159 I CB -0.370 37.520 38.000 -0.183 0.000 1.063 159 I HN 0.454 nan 8.210 nan 0.000 0.408 160 F N 1.932 121.744 119.950 -0.230 0.000 2.043 160 F HA -0.370 4.157 4.527 0.001 0.000 0.297 160 F C 2.721 178.475 175.800 -0.077 0.000 1.121 160 F CA 2.050 59.969 58.000 -0.135 0.000 1.199 160 F CB -0.429 38.505 39.000 -0.109 0.000 0.968 160 F HN 0.086 nan 8.300 nan 0.000 0.478 161 Q N -0.540 119.383 119.800 0.205 0.000 2.062 161 Q HA -0.297 4.043 4.340 0.001 0.000 0.209 161 Q C 2.421 178.398 176.000 -0.038 0.000 0.996 161 Q CA 2.170 58.036 55.803 0.105 0.000 0.859 161 Q CB -0.836 27.917 28.738 0.025 0.000 0.920 161 Q HN 0.474 nan 8.270 nan 0.000 0.415 162 S N 0.085 115.743 115.700 -0.070 0.000 2.348 162 S HA -0.172 4.298 4.470 0.001 0.000 0.221 162 S C 2.135 176.659 174.600 -0.128 0.000 1.033 162 S CA 1.501 59.655 58.200 -0.077 0.000 1.010 162 S CB -0.234 62.932 63.200 -0.056 0.000 0.891 162 S HN 0.358 nan 8.310 nan 0.000 0.442 163 S N 1.312 116.898 115.700 -0.189 0.000 2.365 163 S HA -0.211 4.259 4.470 0.001 0.000 0.225 163 S C 1.848 176.268 174.600 -0.300 0.000 1.039 163 S CA 1.941 59.996 58.200 -0.242 0.000 1.033 163 S CB -0.553 62.460 63.200 -0.312 0.000 0.887 163 S HN 0.614 nan 8.310 nan 0.000 0.447 164 M N 1.993 121.357 119.600 -0.393 0.000 2.065 164 M HA -0.123 4.357 4.480 0.001 0.000 0.259 164 M C 2.009 178.209 176.300 -0.166 0.000 1.069 164 M CA 1.919 57.038 55.300 -0.301 0.000 1.110 164 M CB -1.466 31.013 32.600 -0.202 0.000 1.328 164 M HN 0.211 nan 8.290 nan 0.000 0.405 165 T N 0.443 114.930 114.554 -0.113 0.000 2.699 165 T HA -0.228 4.122 4.350 0.001 0.000 0.268 165 T C 1.846 176.482 174.700 -0.107 0.000 1.036 165 T CA 1.910 63.964 62.100 -0.077 0.000 1.147 165 T CB -0.411 68.427 68.868 -0.051 0.000 0.862 165 T HN 0.487 nan 8.240 nan 0.000 0.446 166 K N 0.587 120.902 120.400 -0.142 0.000 2.148 166 K HA 0.033 4.353 4.320 0.001 0.000 0.204 166 K C 2.210 178.640 176.600 -0.284 0.000 1.050 166 K CA 0.870 57.054 56.287 -0.171 0.000 0.942 166 K CB -0.193 32.214 32.500 -0.154 0.000 0.724 166 K HN 0.348 nan 8.250 nan 0.000 0.446 167 I N 0.987 121.349 120.570 -0.347 0.000 2.315 167 I HA -0.254 3.916 4.170 0.001 0.000 0.248 167 I C 1.830 177.790 176.117 -0.260 0.000 1.117 167 I CA 1.046 62.019 61.300 -0.545 0.000 1.404 167 I CB -0.121 37.599 38.000 -0.466 0.000 1.071 167 I HN 0.158 nan 8.210 nan 0.000 0.419 168 L N 0.142 121.296 121.223 -0.115 0.000 2.418 168 L HA -0.047 4.294 4.340 0.001 0.000 0.218 168 L C 2.365 179.235 176.870 0.001 0.000 1.125 168 L CA 0.449 55.293 54.840 0.008 0.000 0.835 168 L CB -0.499 41.572 42.059 0.020 0.000 0.953 168 L HN 0.203 nan 8.230 nan 0.000 0.454 169 E N 1.224 121.388 120.200 -0.061 0.000 2.136 169 E HA -0.258 4.092 4.350 0.001 0.000 0.208 169 E C -0.566 176.008 176.600 -0.044 0.000 1.035 169 E CA 2.143 58.510 56.400 -0.054 0.000 0.838 169 E CB -0.604 29.051 29.700 -0.075 0.000 0.748 169 E HN 0.346 nan 8.360 nan 0.000 0.459 170 P HA -0.142 nan 4.420 nan 0.000 0.218 170 P C 1.387 178.635 177.300 -0.087 0.000 1.152 170 P CA 1.043 64.112 63.100 -0.050 0.000 0.826 170 P CB -0.232 31.465 31.700 -0.006 0.000 0.790 171 F N 1.810 121.586 119.950 -0.289 0.000 2.113 171 F HA -0.033 4.494 4.527 0.001 0.000 0.297 171 F C 2.328 178.037 175.800 -0.152 0.000 1.103 171 F CA 1.598 59.425 58.000 -0.288 0.000 1.248 171 F CB -0.475 38.315 39.000 -0.351 0.000 0.999 171 F HN -0.286 nan 8.300 nan 0.000 0.475 172 K N 0.231 120.646 120.400 0.026 0.000 2.103 172 K HA -0.239 4.082 4.320 0.001 0.000 0.207 172 K C 2.234 178.760 176.600 -0.123 0.000 1.048 172 K CA 1.553 57.816 56.287 -0.041 0.000 0.930 172 K CB -0.227 32.282 32.500 0.014 0.000 0.716 172 K HN 0.222 nan 8.250 nan 0.000 0.444 173 K N 1.053 121.390 120.400 -0.106 0.000 2.097 173 K HA -0.191 4.129 4.320 0.001 0.000 0.205 173 K C 1.932 178.449 176.600 -0.139 0.000 1.050 173 K CA 1.389 57.616 56.287 -0.100 0.000 0.938 173 K CB 0.116 32.575 32.500 -0.069 0.000 0.718 173 K HN 0.099 nan 8.250 nan 0.000 0.442 174 Q N -0.258 119.420 119.800 -0.204 0.000 2.360 174 Q HA 0.041 4.381 4.340 0.001 0.000 0.202 174 Q C -0.249 175.568 176.000 -0.305 0.000 0.915 174 Q CA 0.218 55.888 55.803 -0.221 0.000 0.943 174 Q CB 0.548 29.160 28.738 -0.209 0.000 1.064 174 Q HN 0.230 nan 8.270 nan 0.000 0.511 175 N N 0.641 119.110 118.700 -0.384 0.000 2.571 175 N HA 0.112 4.852 4.740 0.001 0.000 0.298 175 N C -2.228 173.142 175.510 -0.233 0.000 1.671 175 N CA -0.760 52.054 53.050 -0.393 0.000 0.900 175 N CB 1.243 39.286 38.487 -0.739 0.000 1.365 175 N HN 0.214 nan 8.380 nan 0.000 0.493 176 P HA -0.184 nan 4.420 nan 0.000 0.219 176 P C 0.275 177.528 177.300 -0.078 0.000 1.149 176 P CA 1.370 64.411 63.100 -0.099 0.000 0.835 176 P CB 0.345 31.997 31.700 -0.081 0.000 0.778 177 D N -0.544 119.803 120.400 -0.088 0.000 2.349 177 D HA 0.109 4.749 4.640 0.001 0.000 0.224 177 D C 0.936 177.201 176.300 -0.060 0.000 1.029 177 D CA 0.420 54.381 54.000 -0.065 0.000 0.879 177 D CB 0.322 41.082 40.800 -0.065 0.000 0.906 177 D HN 0.353 nan 8.370 nan 0.000 0.528 178 I N 1.573 122.105 120.570 -0.063 0.000 2.355 178 I HA 0.107 4.277 4.170 0.001 0.000 0.288 178 I C 0.096 176.221 176.117 0.013 0.000 0.999 178 I CA -0.703 60.575 61.300 -0.036 0.000 1.163 178 I CB 2.370 40.356 38.000 -0.023 0.000 1.316 178 I HN -0.367 nan 8.210 nan 0.000 0.454 179 V N 7.818 127.753 119.914 0.035 0.000 2.715 179 V HA 0.211 4.331 4.120 0.001 0.000 0.299 179 V C 0.319 176.488 176.094 0.125 0.000 1.054 179 V CA 0.238 62.579 62.300 0.069 0.000 1.077 179 V CB 1.261 33.154 31.823 0.117 0.000 0.972 179 V HN 0.479 nan 8.190 nan 0.000 0.484 180 I N 5.394 126.022 120.570 0.096 0.000 2.641 180 I HA 0.243 4.413 4.170 0.001 0.000 0.275 180 I C -1.124 175.061 176.117 0.112 0.000 1.129 180 I CA -0.501 60.886 61.300 0.145 0.000 1.094 180 I CB 0.883 38.954 38.000 0.119 0.000 1.232 180 I HN 0.483 nan 8.210 nan 0.000 0.503 181 Y N 4.805 125.110 120.300 0.010 0.000 2.605 181 Y HA 0.076 4.626 4.550 0.001 0.000 0.336 181 Y C 0.863 176.858 175.900 0.158 0.000 1.111 181 Y CA 0.138 58.233 58.100 -0.007 0.000 1.422 181 Y CB 0.481 38.787 38.460 -0.257 0.000 1.193 181 Y HN 0.491 nan 8.280 nan 0.000 0.526 182 Q N 3.340 123.275 119.800 0.225 0.000 2.333 182 Q HA 0.455 4.795 4.340 0.001 0.000 0.267 182 Q C -1.957 174.233 176.000 0.318 0.000 1.012 182 Q CA -1.117 54.839 55.803 0.255 0.000 0.824 182 Q CB 1.943 30.771 28.738 0.151 0.000 1.290 182 Q HN 0.641 nan 8.270 nan 0.000 0.449 183 Y N 5.036 125.444 120.300 0.179 0.000 2.402 183 Y HA 0.387 4.938 4.550 0.001 0.000 0.325 183 Y C 0.019 175.967 175.900 0.081 0.000 1.009 183 Y CA -0.730 57.436 58.100 0.109 0.000 1.278 183 Y CB 1.081 39.590 38.460 0.082 0.000 1.105 183 Y HN 1.092 nan 8.280 nan 0.000 0.476 184 M N 2.321 121.782 119.600 -0.232 0.000 7.319 184 M HA -0.337 4.144 4.480 0.001 0.000 0.289 184 M C 0.468 176.806 176.300 0.063 0.000 0.480 184 M CA 2.773 57.955 55.300 -0.196 0.000 1.311 184 M CB -1.081 31.250 32.600 -0.448 0.000 0.421 184 M HN 0.686 nan 8.290 nan 0.000 0.505 185 D N -0.468 119.883 120.400 -0.082 0.000 2.369 185 D HA 0.241 4.881 4.640 0.001 0.000 0.211 185 D C -0.264 176.109 176.300 0.121 0.000 1.077 185 D CA 0.404 54.452 54.000 0.081 0.000 0.842 185 D CB -0.512 40.201 40.800 -0.145 0.000 0.947 185 D HN 0.541 nan 8.370 nan 0.000 0.509 186 D N 0.831 121.314 120.400 0.138 0.000 2.339 186 D HA 0.219 4.859 4.640 0.001 0.000 0.241 186 D C -0.359 176.118 176.300 0.295 0.000 1.183 186 D CA -0.220 53.912 54.000 0.220 0.000 0.859 186 D CB 0.581 41.540 40.800 0.265 0.000 1.067 186 D HN 0.101 nan 8.370 nan 0.000 0.484 187 L N 3.797 125.169 121.223 0.248 0.000 2.309 187 L HA 0.354 4.695 4.340 0.001 0.000 0.282 187 L C -0.829 176.189 176.870 0.247 0.000 1.036 187 L CA -1.156 53.829 54.840 0.241 0.000 0.806 187 L CB 1.180 43.334 42.059 0.158 0.000 1.220 187 L HN 0.436 nan 8.230 nan 0.000 0.429 188 Y N 3.493 123.827 120.300 0.057 0.000 2.332 188 Y HA 0.479 5.029 4.550 0.001 0.000 0.326 188 Y C -1.054 174.786 175.900 -0.099 0.000 0.978 188 Y CA -1.009 57.000 58.100 -0.152 0.000 1.205 188 Y CB 1.405 39.552 38.460 -0.523 0.000 1.131 188 Y HN 0.209 nan 8.280 nan 0.000 0.462 189 V N 6.450 126.336 119.914 -0.047 0.000 2.364 189 V HA 0.640 4.760 4.120 0.001 0.000 0.272 189 V C 0.505 176.544 176.094 -0.092 0.000 1.036 189 V CA -0.156 62.163 62.300 0.032 0.000 0.880 189 V CB 1.047 32.903 31.823 0.054 0.000 0.991 189 V HN 0.987 nan 8.190 nan 0.000 0.460 190 G N 3.153 112.002 108.800 0.081 0.000 2.379 190 G HA2 0.625 4.586 3.960 0.001 0.000 0.327 190 G HA3 0.625 4.586 3.960 0.001 0.000 0.327 190 G C -0.526 174.370 174.900 -0.007 0.000 1.145 190 G CA -0.265 44.864 45.100 0.049 0.000 0.905 190 G HN 0.792 nan 8.290 nan 0.000 0.466 191 S N 0.284 115.971 115.700 -0.022 0.000 2.618 191 S HA 0.477 4.947 4.470 0.001 0.000 0.277 191 S C -0.781 173.824 174.600 0.008 0.000 1.138 191 S CA -0.694 57.452 58.200 -0.090 0.000 0.844 191 S CB 2.400 65.358 63.200 -0.403 0.000 1.127 191 S HN 0.401 nan 8.310 nan 0.000 0.474 192 D N 1.442 121.838 120.400 -0.006 0.000 2.440 192 D HA 0.313 4.953 4.640 0.001 0.000 0.216 192 D C 0.136 176.452 176.300 0.027 0.000 1.150 192 D CA 0.041 54.051 54.000 0.017 0.000 0.832 192 D CB 0.302 41.105 40.800 0.005 0.000 0.992 192 D HN 0.454 nan 8.370 nan 0.000 0.502 193 L N 1.035 122.279 121.223 0.035 0.000 2.468 193 L HA 0.152 4.492 4.340 0.001 0.000 0.254 193 L C 1.038 177.961 176.870 0.087 0.000 1.171 193 L CA -0.541 54.328 54.840 0.049 0.000 0.809 193 L CB 0.650 42.734 42.059 0.041 0.000 1.155 193 L HN -0.169 nan 8.230 nan 0.000 0.473 194 E N 0.535 120.777 120.200 0.070 0.000 2.373 194 E HA 0.124 4.475 4.350 0.001 0.000 0.263 194 E C 1.244 177.892 176.600 0.080 0.000 1.073 194 E CA -0.179 56.258 56.400 0.061 0.000 0.894 194 E CB 1.039 30.763 29.700 0.040 0.000 1.008 194 E HN 0.443 nan 8.360 nan 0.000 0.420 195 I N 1.427 122.024 120.570 0.046 0.000 2.103 195 I HA -0.390 3.780 4.170 0.001 0.000 0.241 195 I C 2.109 178.255 176.117 0.049 0.000 1.036 195 I CA 2.019 63.331 61.300 0.019 0.000 1.300 195 I CB -0.773 37.225 38.000 -0.002 0.000 1.010 195 I HN 0.694 nan 8.210 nan 0.000 0.406 196 G N 0.241 109.068 108.800 0.045 0.000 2.777 196 G HA2 -0.343 3.618 3.960 0.001 0.000 0.217 196 G HA3 -0.343 3.618 3.960 0.001 0.000 0.217 196 G C 1.368 176.312 174.900 0.073 0.000 1.295 196 G CA 1.189 46.318 45.100 0.048 0.000 0.800 196 G HN 0.505 nan 8.290 nan 0.000 0.637 197 Q N -0.822 119.023 119.800 0.074 0.000 2.234 197 Q HA -0.126 4.214 4.340 0.001 0.000 0.206 197 Q C 2.192 178.267 176.000 0.124 0.000 0.980 197 Q CA 1.494 57.344 55.803 0.078 0.000 0.869 197 Q CB -0.294 28.474 28.738 0.051 0.000 0.912 197 Q HN 0.878 nan 8.270 nan 0.000 0.436 198 H N 0.490 119.575 119.070 0.025 0.000 2.276 198 H HA -0.032 4.524 4.556 0.001 0.000 0.301 198 H C 2.037 177.389 175.328 0.041 0.000 1.073 198 H CA 1.064 57.129 56.048 0.030 0.000 1.311 198 H CB 0.280 30.051 29.762 0.015 0.000 1.379 198 H HN -0.050 nan 8.280 nan 0.000 0.494 199 R N -0.030 120.628 120.500 0.263 0.000 2.154 199 R HA -0.120 4.221 4.340 0.001 0.000 0.248 199 R C 2.352 178.746 176.300 0.157 0.000 1.155 199 R CA 2.044 58.241 56.100 0.161 0.000 0.979 199 R CB -0.428 29.905 30.300 0.055 0.000 0.869 199 R HN 0.469 nan 8.270 nan 0.000 0.452 200 T N 0.356 114.993 114.554 0.137 0.000 2.770 200 T HA -0.052 4.298 4.350 0.001 0.000 0.263 200 T C 1.577 176.354 174.700 0.128 0.000 1.039 200 T CA 0.776 62.941 62.100 0.108 0.000 1.142 200 T CB -0.029 68.889 68.868 0.082 0.000 0.868 200 T HN 0.052 nan 8.240 nan 0.000 0.435 201 K N 0.843 121.324 120.400 0.135 0.000 2.147 201 K HA 0.077 4.398 4.320 0.001 0.000 0.205 201 K C 2.181 178.902 176.600 0.201 0.000 1.049 201 K CA 0.687 57.072 56.287 0.163 0.000 0.936 201 K CB -0.665 31.886 32.500 0.086 0.000 0.722 201 K HN 0.259 nan 8.250 nan 0.000 0.446 202 I N 1.546 122.231 120.570 0.192 0.000 2.361 202 I HA -0.247 3.923 4.170 0.001 0.000 0.251 202 I C 2.265 178.441 176.117 0.097 0.000 1.133 202 I CA 1.322 62.720 61.300 0.162 0.000 1.413 202 I CB -0.127 38.007 38.000 0.225 0.000 1.073 202 I HN 0.125 nan 8.210 nan 0.000 0.424 203 E N 0.644 120.908 120.200 0.107 0.000 2.046 203 E HA -0.183 4.167 4.350 0.001 0.000 0.190 203 E C 2.037 178.686 176.600 0.082 0.000 0.982 203 E CA 1.435 57.883 56.400 0.081 0.000 0.800 203 E CB -0.175 29.573 29.700 0.080 0.000 0.756 203 E HN 0.483 nan 8.360 nan 0.000 0.449 204 E N 0.013 120.290 120.200 0.129 0.000 2.048 204 E HA -0.256 4.094 4.350 0.001 0.000 0.202 204 E C 2.086 178.734 176.600 0.080 0.000 1.021 204 E CA 1.492 58.005 56.400 0.187 0.000 0.825 204 E CB -0.389 29.504 29.700 0.321 0.000 0.756 204 E HN 0.199 nan 8.360 nan 0.000 0.454 205 L N 1.445 122.572 121.223 -0.160 0.000 2.013 205 L HA -0.224 4.116 4.340 0.001 0.000 0.212 205 L C 2.223 178.951 176.870 -0.237 0.000 1.073 205 L CA 1.808 56.211 54.840 -0.728 0.000 0.753 205 L CB -0.339 41.252 42.059 -0.780 0.000 0.890 205 L HN -0.020 nan 8.230 nan 0.000 0.432 206 R N -0.980 119.472 120.500 -0.081 0.000 2.082 206 R HA -0.196 4.144 4.340 0.001 0.000 0.234 206 R C 2.329 178.647 176.300 0.030 0.000 1.136 206 R CA 2.176 58.271 56.100 -0.008 0.000 0.935 206 R CB -0.499 29.816 30.300 0.024 0.000 0.842 206 R HN 0.548 nan 8.270 nan 0.000 0.430 207 Q N -0.894 118.940 119.800 0.057 0.000 2.077 207 Q HA -0.270 4.070 4.340 0.001 0.000 0.206 207 Q C 2.059 178.125 176.000 0.111 0.000 0.989 207 Q CA 2.016 57.866 55.803 0.078 0.000 0.853 207 Q CB -0.315 28.477 28.738 0.090 0.000 0.907 207 Q HN 0.458 nan 8.270 nan 0.000 0.418 208 H N 0.759 119.863 119.070 0.057 0.000 2.252 208 H HA -0.179 4.378 4.556 0.001 0.000 0.292 208 H C 1.877 177.322 175.328 0.196 0.000 1.082 208 H CA 2.129 58.258 56.048 0.135 0.000 1.229 208 H CB -0.494 29.303 29.762 0.059 0.000 1.353 208 H HN 0.135 nan 8.280 nan 0.000 0.488 209 L N -0.631 120.557 121.223 -0.058 0.000 1.997 209 L HA -0.217 4.123 4.340 0.001 0.000 0.216 209 L C 2.679 179.562 176.870 0.021 0.000 1.074 209 L CA 1.474 56.277 54.840 -0.063 0.000 0.763 209 L CB -0.654 41.402 42.059 -0.005 0.000 0.890 209 L HN 0.369 nan 8.230 nan 0.000 0.434 210 L N -0.004 121.237 121.223 0.030 0.000 2.042 210 L HA -0.223 4.117 4.340 0.001 0.000 0.210 210 L C 2.600 179.479 176.870 0.014 0.000 1.076 210 L CA 1.740 56.600 54.840 0.035 0.000 0.749 210 L CB -0.738 41.340 42.059 0.032 0.000 0.893 210 L HN 0.117 nan 8.230 nan 0.000 0.432 211 R N -1.748 118.750 120.500 -0.004 0.000 2.200 211 R HA -0.215 4.126 4.340 0.001 0.000 0.234 211 R C 1.167 177.336 176.300 -0.217 0.000 1.127 211 R CA 1.697 57.747 56.100 -0.083 0.000 0.989 211 R CB -0.348 29.920 30.300 -0.052 0.000 0.869 211 R HN 0.542 nan 8.270 nan 0.000 0.459 212 W N -0.649 120.551 121.300 -0.168 0.000 3.223 212 W HA 0.300 4.961 4.660 0.001 0.000 0.389 212 W C 0.914 177.381 176.519 -0.088 0.000 1.118 212 W CA 0.582 57.836 57.345 -0.151 0.000 1.902 212 W CB 0.795 30.108 29.460 -0.246 0.000 1.094 212 W HN 0.278 nan 8.180 nan 0.000 0.666 213 G N 0.628 109.473 108.800 0.076 0.000 2.141 213 G HA2 -0.283 3.678 3.960 0.001 0.000 0.242 213 G HA3 -0.283 3.678 3.960 0.001 0.000 0.242 213 G C -0.208 174.751 174.900 0.098 0.000 0.982 213 G CA -0.352 44.792 45.100 0.073 0.000 0.662 213 G HN 0.153 nan 8.290 nan 0.000 0.527 214 L N 2.416 123.698 121.223 0.098 0.000 2.295 214 L HA 0.436 4.776 4.340 0.001 0.000 0.281 214 L C 1.011 177.928 176.870 0.078 0.000 1.018 214 L CA -0.264 54.636 54.840 0.100 0.000 0.841 214 L CB 1.419 43.536 42.059 0.098 0.000 1.218 214 L HN 0.354 nan 8.230 nan 0.000 0.424 215 T N -0.912 113.690 114.554 0.080 0.000 2.884 215 T HA 0.269 4.619 4.350 0.001 0.000 0.298 215 T C 0.502 175.241 174.700 0.065 0.000 0.998 215 T CA -0.557 61.581 62.100 0.063 0.000 1.124 215 T CB 0.993 69.897 68.868 0.059 0.000 0.931 215 T HN 0.615 nan 8.240 nan 0.000 0.531 216 T N 1.424 116.012 114.554 0.056 0.000 3.331 216 T HA 0.437 4.788 4.350 0.001 0.000 0.381 216 T C -2.198 172.533 174.700 0.052 0.000 1.656 216 T CA -1.545 60.590 62.100 0.059 0.000 1.453 216 T CB 0.205 69.106 68.868 0.056 0.000 1.066 216 T HN 0.610 nan 8.240 nan 0.000 0.655 217 P HA 0.203 nan 4.420 nan 0.000 0.271 217 P C -0.769 176.555 177.300 0.040 0.000 1.233 217 P CA -0.199 62.925 63.100 0.039 0.000 0.789 217 P CB 0.618 32.339 31.700 0.034 0.000 0.951 218 D N 1.157 121.575 120.400 0.028 0.000 2.441 218 D HA 0.135 4.775 4.640 0.001 0.000 0.243 218 D C 0.839 177.148 176.300 0.014 0.000 1.257 218 D CA 0.634 54.647 54.000 0.021 0.000 1.027 218 D CB -0.339 40.466 40.800 0.010 0.000 1.084 218 D HN 0.358 nan 8.370 nan 0.000 0.514 219 K N 2.199 122.619 120.400 0.033 0.000 3.253 219 K HA -0.009 4.311 4.320 0.001 0.000 0.171 219 K C -1.044 175.621 176.600 0.109 0.000 1.035 219 K CA -0.600 55.712 56.287 0.043 0.000 1.013 219 K CB 0.154 32.683 32.500 0.049 0.000 0.674 219 K HN 0.256 nan 8.250 nan 0.000 0.407 220 K N 0.999 121.453 120.400 0.090 0.000 2.389 220 K HA 0.274 4.595 4.320 0.001 0.000 0.261 220 K C -0.888 175.801 176.600 0.148 0.000 1.014 220 K CA -0.716 55.661 56.287 0.150 0.000 0.920 220 K CB 0.620 33.182 32.500 0.104 0.000 1.149 220 K HN 0.112 nan 8.250 nan 0.000 0.444 221 H N 3.174 122.290 119.070 0.077 0.000 3.107 221 H HA -0.055 4.501 4.556 0.001 0.000 0.301 221 H C 0.086 175.442 175.328 0.045 0.000 0.981 221 H CA 0.657 56.712 56.048 0.012 0.000 1.443 221 H CB 1.047 30.901 29.762 0.153 0.000 1.479 221 H HN 0.738 nan 8.280 nan 0.000 0.564 222 Q N 2.562 122.343 119.800 -0.032 0.000 2.514 222 Q HA 0.006 4.347 4.340 0.001 0.000 0.191 222 Q C 0.863 176.844 176.000 -0.032 0.000 0.968 222 Q CA 0.267 56.073 55.803 0.004 0.000 0.852 222 Q CB 0.362 29.081 28.738 -0.031 0.000 1.051 222 Q HN 0.227 nan 8.270 nan 0.000 0.604 223 K N 0.941 121.264 120.400 -0.128 0.000 2.861 223 K HA 0.133 4.453 4.320 0.001 0.000 0.210 223 K C -0.168 176.289 176.600 -0.239 0.000 1.112 223 K CA 0.157 56.379 56.287 -0.109 0.000 1.076 223 K CB 0.422 32.882 32.500 -0.067 0.000 0.853 223 K HN 0.017 nan 8.250 nan 0.000 0.463 224 E N 0.612 120.505 120.200 -0.512 0.000 2.494 224 E HA 0.097 4.447 4.350 0.001 0.000 0.193 224 E C -2.113 174.082 176.600 -0.675 0.000 1.074 224 E CA -1.464 54.570 56.400 -0.609 0.000 0.867 224 E CB -0.156 29.149 29.700 -0.657 0.000 0.924 224 E HN 0.307 nan 8.360 nan 0.000 0.502 225 P HA -0.067 nan 4.420 nan 0.000 0.260 225 P C -2.542 174.753 177.300 -0.008 0.000 1.172 225 P CA -0.347 62.696 63.100 -0.095 0.000 0.760 225 P CB 0.150 31.957 31.700 0.180 0.000 0.773 226 P HA 0.157 nan 4.420 nan 0.000 0.281 226 P C -0.790 176.565 177.300 0.092 0.000 1.252 226 P CA -0.027 63.153 63.100 0.133 0.000 0.778 226 P CB 0.452 32.208 31.700 0.093 0.000 0.895 227 F N 1.974 122.005 119.950 0.136 0.000 2.382 227 F HA 0.284 4.812 4.527 0.001 0.000 0.331 227 F C 1.057 176.958 175.800 0.168 0.000 1.121 227 F CA -0.359 57.775 58.000 0.224 0.000 1.183 227 F CB 0.486 39.492 39.000 0.010 0.000 1.207 227 F HN 0.071 nan 8.300 nan 0.000 0.555 228 L N 1.933 123.316 121.223 0.266 0.000 2.272 228 L HA 0.335 4.675 4.340 0.001 0.000 0.289 228 L C -1.347 175.629 176.870 0.176 0.000 1.032 228 L CA -0.521 54.472 54.840 0.255 0.000 0.810 228 L CB 1.281 43.552 42.059 0.353 0.000 1.205 228 L HN 0.710 nan 8.230 nan 0.000 0.422 229 W N 6.298 127.644 121.300 0.077 0.000 3.439 229 W HA 0.353 5.013 4.660 0.001 0.000 0.323 229 W C -0.223 176.387 176.519 0.152 0.000 1.174 229 W CA -0.768 56.624 57.345 0.078 0.000 1.224 229 W CB 1.200 30.722 29.460 0.103 0.000 1.348 229 W HN 0.393 nan 8.180 nan 0.000 0.498 230 M N 4.957 124.200 119.600 -0.595 0.000 2.436 230 M HA -0.198 4.282 4.480 0.001 0.000 0.197 230 M C 1.108 177.183 176.300 -0.374 0.000 0.442 230 M CA 2.031 56.940 55.300 -0.652 0.000 0.473 230 M CB -2.309 29.545 32.600 -1.243 0.000 1.685 230 M HN 1.583 nan 8.290 nan 0.000 0.835 231 G N -1.387 107.280 108.800 -0.222 0.000 2.149 231 G HA2 -0.285 3.675 3.960 0.001 0.000 0.235 231 G HA3 -0.285 3.675 3.960 0.001 0.000 0.235 231 G C -0.290 174.427 174.900 -0.304 0.000 1.018 231 G CA 0.602 45.573 45.100 -0.215 0.000 0.728 231 G HN 0.594 nan 8.290 nan 0.000 0.508 232 Y N -1.004 119.383 120.300 0.146 0.000 2.944 232 Y HA 0.766 5.316 4.550 0.001 0.000 0.312 232 Y C 0.496 176.523 175.900 0.211 0.000 1.417 232 Y CA -1.189 57.033 58.100 0.203 0.000 1.105 232 Y CB 1.195 39.749 38.460 0.158 0.000 1.364 232 Y HN 0.051 nan 8.280 nan 0.000 0.540 233 E N 0.994 121.448 120.200 0.424 0.000 2.343 233 E HA 0.411 4.761 4.350 0.001 0.000 0.260 233 E C -1.883 174.787 176.600 0.116 0.000 0.908 233 E CA -0.242 56.272 56.400 0.189 0.000 0.814 233 E CB 0.949 30.688 29.700 0.065 0.000 1.302 233 E HN 0.402 nan 8.360 nan 0.000 0.408 234 L N 4.584 125.928 121.223 0.202 0.000 2.268 234 L HA 0.378 4.719 4.340 0.001 0.000 0.289 234 L C -0.044 176.948 176.870 0.204 0.000 1.064 234 L CA -0.250 54.759 54.840 0.283 0.000 0.824 234 L CB 0.153 42.377 42.059 0.275 0.000 1.202 234 L HN 0.518 nan 8.230 nan 0.000 0.433 235 H N 3.305 122.614 119.070 0.398 0.000 2.508 235 H HA 0.223 4.779 4.556 0.001 0.000 0.344 235 H C -1.517 173.996 175.328 0.309 0.000 1.192 235 H CA -1.647 54.566 56.048 0.276 0.000 1.290 235 H CB 1.036 30.878 29.762 0.132 0.000 1.571 235 H HN 0.294 nan 8.280 nan 0.000 0.555 236 P HA -0.221 nan 4.420 nan 0.000 0.218 236 P C 0.203 177.687 177.300 0.307 0.000 1.154 236 P CA 1.751 65.004 63.100 0.255 0.000 0.872 236 P CB 0.286 32.083 31.700 0.161 0.000 0.790 237 D N -2.586 117.974 120.400 0.267 0.000 2.539 237 D HA 0.105 4.746 4.640 0.001 0.000 0.232 237 D C 0.571 176.839 176.300 -0.054 0.000 1.256 237 D CA 0.209 54.334 54.000 0.208 0.000 0.810 237 D CB 0.854 41.703 40.800 0.082 0.000 1.090 237 D HN 0.372 nan 8.370 nan 0.000 0.519 238 K N -0.266 120.063 120.400 -0.119 0.000 2.533 238 K HA 0.557 4.877 4.320 0.001 0.000 0.284 238 K C -1.312 175.180 176.600 -0.181 0.000 1.025 238 K CA -1.084 54.940 56.287 -0.438 0.000 0.900 238 K CB 2.100 34.227 32.500 -0.623 0.000 1.519 238 K HN -0.039 nan 8.250 nan 0.000 0.432 239 W N -0.364 120.779 121.300 -0.261 0.000 3.042 239 W HA 0.693 5.353 4.660 0.000 0.000 0.342 239 W C -1.844 174.672 176.519 -0.005 0.000 1.240 239 W CA -0.901 56.397 57.345 -0.079 0.000 1.166 239 W CB 1.360 30.770 29.460 -0.083 0.000 1.469 239 W HN 0.825 nan 8.180 nan 0.000 0.579 240 T N 0.250 115.090 114.554 0.477 0.000 2.886 240 T HA 0.364 4.714 4.350 0.001 0.000 0.330 240 T C -1.004 174.013 174.700 0.528 0.000 1.488 240 T CA -0.292 61.970 62.100 0.271 0.000 1.054 240 T CB 1.179 70.076 68.868 0.049 0.000 1.348 240 T HN 1.168 nan 8.240 nan 0.000 0.489 241 V N 3.258 123.416 119.914 0.406 0.000 2.740 241 V HA 0.479 4.599 4.120 0.001 0.000 0.303 241 V C 0.530 176.746 176.094 0.204 0.000 1.054 241 V CA -0.042 62.410 62.300 0.252 0.000 1.106 241 V CB 0.417 32.195 31.823 -0.075 0.000 0.957 241 V HN 1.002 nan 8.190 nan 0.000 0.486 242 Q N 3.992 123.907 119.800 0.193 0.000 2.492 242 Q HA 0.259 4.599 4.340 0.001 0.000 0.238 242 Q C -2.207 173.904 176.000 0.184 0.000 1.045 242 Q CA -1.415 54.496 55.803 0.181 0.000 0.934 242 Q CB -0.311 28.519 28.738 0.153 0.000 1.276 242 Q HN 0.659 nan 8.270 nan 0.000 0.521 243 P HA -0.137 nan 4.420 nan 0.000 0.249 243 P C -0.744 176.641 177.300 0.142 0.000 1.140 243 P CA 1.015 64.194 63.100 0.133 0.000 0.803 243 P CB -0.077 31.682 31.700 0.098 0.000 0.745 244 I N 4.381 125.042 120.570 0.152 0.000 2.417 244 I HA 0.164 4.334 4.170 0.001 0.000 0.283 244 I C -0.566 175.605 176.117 0.090 0.000 1.121 244 I CA -0.922 60.476 61.300 0.164 0.000 1.211 244 I CB 0.425 38.560 38.000 0.225 0.000 1.492 244 I HN -0.150 nan 8.210 nan 0.000 0.522 245 V N 7.097 127.055 119.914 0.074 0.000 2.485 245 V HA 0.078 4.198 4.120 0.001 0.000 0.287 245 V C 0.686 176.810 176.094 0.050 0.000 1.022 245 V CA 0.152 62.480 62.300 0.047 0.000 1.067 245 V CB 0.796 32.643 31.823 0.039 0.000 0.967 245 V HN 0.556 nan 8.190 nan 0.000 0.479 246 L N 7.517 128.767 121.223 0.045 0.000 2.399 246 L HA 0.486 4.826 4.340 0.001 0.000 0.265 246 L C -1.786 175.133 176.870 0.082 0.000 1.089 246 L CA -1.653 53.229 54.840 0.071 0.000 0.802 246 L CB 1.558 43.658 42.059 0.068 0.000 1.180 246 L HN 0.490 nan 8.230 nan 0.000 0.454 247 P HA 0.124 nan 4.420 nan 0.000 0.286 247 P C -0.947 176.407 177.300 0.090 0.000 1.321 247 P CA -0.357 62.782 63.100 0.065 0.000 0.790 247 P CB 0.860 32.571 31.700 0.017 0.000 0.897 248 E N 4.572 124.793 120.200 0.037 0.000 2.070 248 E HA 0.180 4.530 4.350 0.001 0.000 0.282 248 E C -0.162 176.398 176.600 -0.065 0.000 1.104 248 E CA -0.466 55.967 56.400 0.055 0.000 0.876 248 E CB 0.309 30.034 29.700 0.041 0.000 1.055 248 E HN 0.410 nan 8.360 nan 0.000 0.401 249 K N 2.228 122.551 120.400 -0.128 0.000 2.469 249 K HA 0.348 4.669 4.320 0.001 0.000 0.268 249 K C -0.663 175.822 176.600 -0.192 0.000 1.027 249 K CA -0.637 55.450 56.287 -0.333 0.000 0.893 249 K CB 1.218 33.263 32.500 -0.757 0.000 1.460 249 K HN 0.232 nan 8.250 nan 0.000 0.449 250 D N 0.222 120.489 120.400 -0.222 0.000 2.648 250 D HA -0.042 4.598 4.640 0.001 0.000 0.261 250 D C 0.102 176.377 176.300 -0.042 0.000 1.261 250 D CA 0.400 54.370 54.000 -0.050 0.000 1.011 250 D CB -0.504 40.271 40.800 -0.041 0.000 1.092 250 D HN 0.508 nan 8.370 nan 0.000 0.417 251 S N -0.565 115.059 115.700 -0.126 0.000 2.452 251 S HA 0.394 4.865 4.470 0.001 0.000 0.284 251 S C -1.049 173.454 174.600 -0.163 0.000 1.171 251 S CA -0.958 57.224 58.200 -0.031 0.000 1.064 251 S CB 0.026 63.215 63.200 -0.019 0.000 0.967 251 S HN 0.262 nan 8.310 nan 0.000 0.484 252 W N 2.665 123.964 121.300 -0.001 0.000 2.335 252 W HA 0.446 5.106 4.660 0.001 0.000 0.307 252 W C 1.132 177.650 176.519 -0.001 0.000 1.117 252 W CA -0.573 56.772 57.345 -0.001 0.000 1.228 252 W CB 0.951 30.410 29.460 -0.001 0.000 1.240 252 W HN 0.847 nan 8.180 nan 0.000 0.468 253 T N -1.325 113.314 114.554 0.142 0.000 2.824 253 T HA 0.233 4.583 4.350 0.001 0.000 0.277 253 T C 0.883 175.662 174.700 0.132 0.000 0.975 253 T CA -0.670 61.489 62.100 0.097 0.000 0.966 253 T CB 1.101 69.991 68.868 0.036 0.000 1.054 253 T HN 0.193 nan 8.240 nan 0.000 0.533 254 V N 2.397 122.362 119.914 0.086 0.000 2.379 254 V HA -0.125 3.995 4.120 0.001 0.000 0.245 254 V C 2.748 178.888 176.094 0.077 0.000 1.044 254 V CA 2.180 64.527 62.300 0.078 0.000 1.036 254 V CB -1.400 30.452 31.823 0.049 0.000 0.664 254 V HN 1.014 nan 8.190 nan 0.000 0.453 255 N N -0.192 118.544 118.700 0.061 0.000 2.396 255 N HA -0.173 4.567 4.740 0.001 0.000 0.180 255 N C 1.371 176.929 175.510 0.081 0.000 1.028 255 N CA 1.496 54.577 53.050 0.053 0.000 0.893 255 N CB -0.521 37.984 38.487 0.029 0.000 0.967 255 N HN 0.393 nan 8.380 nan 0.000 0.440 256 D N 0.780 121.248 120.400 0.113 0.000 2.092 256 D HA -0.104 4.536 4.640 0.001 0.000 0.193 256 D C 1.829 178.293 176.300 0.272 0.000 0.994 256 D CA 1.091 55.200 54.000 0.181 0.000 0.828 256 D CB -0.035 40.888 40.800 0.205 0.000 0.963 256 D HN 0.206 nan 8.370 nan 0.000 0.450 257 I N 1.018 121.741 120.570 0.255 0.000 2.335 257 I HA -0.247 3.923 4.170 0.001 0.000 0.251 257 I C 2.731 178.903 176.117 0.091 0.000 1.129 257 I CA 0.573 61.961 61.300 0.146 0.000 1.402 257 I CB -1.423 36.618 38.000 0.069 0.000 1.069 257 I HN 0.135 nan 8.210 nan 0.000 0.424 258 C N 0.876 120.226 119.300 0.084 0.000 2.432 258 C HA -0.148 4.313 4.460 0.001 0.000 0.277 258 C C 2.865 177.889 174.990 0.058 0.000 1.249 258 C CA 0.707 59.758 59.018 0.055 0.000 1.725 258 C CB -0.731 27.034 27.740 0.042 0.000 2.028 258 C HN 0.455 nan 8.230 nan 0.000 0.477 259 K N -0.018 120.427 120.400 0.075 0.000 2.097 259 K HA -0.149 4.171 4.320 0.001 0.000 0.206 259 K C 1.753 178.404 176.600 0.086 0.000 1.049 259 K CA 1.170 57.498 56.287 0.068 0.000 0.933 259 K CB -0.291 32.251 32.500 0.070 0.000 0.717 259 K HN 0.295 nan 8.250 nan 0.000 0.442 260 L N 0.437 121.732 121.223 0.120 0.000 1.961 260 L HA -0.209 4.131 4.340 0.001 0.000 0.210 260 L C 2.305 179.211 176.870 0.060 0.000 1.072 260 L CA 1.475 56.374 54.840 0.099 0.000 0.749 260 L CB -0.933 41.169 42.059 0.072 0.000 0.889 260 L HN -0.069 nan 8.230 nan 0.000 0.432 261 V N -0.083 119.856 119.914 0.042 0.000 2.380 261 V HA -0.295 3.825 4.120 0.001 0.000 0.251 261 V C 2.534 178.663 176.094 0.058 0.000 1.063 261 V CA 1.901 64.224 62.300 0.039 0.000 1.055 261 V CB -1.806 30.034 31.823 0.029 0.000 0.657 261 V HN 0.617 nan 8.190 nan 0.000 0.455 262 G N 0.025 108.858 108.800 0.055 0.000 2.480 262 G HA2 -0.252 3.708 3.960 0.001 0.000 0.216 262 G HA3 -0.252 3.708 3.960 0.001 0.000 0.216 262 G C 1.617 176.577 174.900 0.100 0.000 1.200 262 G CA 1.017 46.150 45.100 0.056 0.000 0.782 262 G HN 0.481 nan 8.290 nan 0.000 0.554 263 K N 0.011 120.473 120.400 0.102 0.000 2.020 263 K HA -0.053 4.268 4.320 0.001 0.000 0.212 263 K C 2.590 179.310 176.600 0.200 0.000 1.050 263 K CA 1.178 57.566 56.287 0.168 0.000 0.929 263 K CB -0.475 32.100 32.500 0.125 0.000 0.714 263 K HN 0.249 nan 8.250 nan 0.000 0.443 264 L N 1.526 122.818 121.223 0.116 0.000 2.127 264 L HA -0.195 4.145 4.340 0.001 0.000 0.211 264 L C 2.143 179.085 176.870 0.119 0.000 1.089 264 L CA 1.012 55.902 54.840 0.083 0.000 0.757 264 L CB -0.438 41.645 42.059 0.040 0.000 0.899 264 L HN 0.241 nan 8.230 nan 0.000 0.434 265 N N -0.864 117.920 118.700 0.141 0.000 2.309 265 N HA -0.235 4.506 4.740 0.001 0.000 0.182 265 N C 1.587 177.246 175.510 0.248 0.000 1.018 265 N CA 1.182 54.326 53.050 0.156 0.000 0.876 265 N CB -0.130 38.434 38.487 0.129 0.000 0.972 265 N HN 0.570 nan 8.380 nan 0.000 0.434 266 W N 1.650 122.975 121.300 0.041 0.000 2.418 266 W HA -0.068 4.592 4.660 0.001 0.000 0.292 266 W C 1.970 178.559 176.519 0.117 0.000 1.213 266 W CA 0.995 58.372 57.345 0.053 0.000 1.283 266 W CB 0.101 29.576 29.460 0.025 0.000 1.119 266 W HN -0.004 nan 8.180 nan 0.000 0.542 267 A N 1.025 123.917 122.820 0.120 0.000 1.898 267 A HA -0.246 4.075 4.320 0.001 0.000 0.216 267 A C 1.858 179.500 177.584 0.096 0.000 1.181 267 A CA 2.170 54.242 52.037 0.058 0.000 0.620 267 A CB -1.406 17.613 19.000 0.030 0.000 0.819 267 A HN 0.359 nan 8.150 nan 0.000 0.442 268 S N 0.604 116.359 115.700 0.091 0.000 2.547 268 S HA -0.262 4.208 4.470 0.001 0.000 0.255 268 S C 1.596 176.220 174.600 0.039 0.000 0.977 268 S CA 1.375 59.620 58.200 0.076 0.000 0.960 268 S CB -0.708 62.543 63.200 0.086 0.000 0.746 268 S HN 0.885 nan 8.310 nan 0.000 0.532 269 Q N -0.791 119.030 119.800 0.034 0.000 2.402 269 Q HA 0.323 4.663 4.340 0.001 0.000 0.206 269 Q C 1.476 177.542 176.000 0.110 0.000 0.919 269 Q CA 0.259 56.100 55.803 0.063 0.000 0.923 269 Q CB -0.049 28.744 28.738 0.092 0.000 1.048 269 Q HN 0.562 nan 8.270 nan 0.000 0.515 270 I N -1.240 119.349 120.570 0.032 0.000 4.317 270 I HA 0.193 4.363 4.170 0.001 0.000 0.289 270 I C -0.597 175.405 176.117 -0.192 0.000 1.164 270 I CA -0.584 60.653 61.300 -0.105 0.000 1.312 270 I CB 0.717 38.573 38.000 -0.240 0.000 1.569 270 I HN -0.013 nan 8.210 nan 0.000 0.450 271 Y N 4.995 125.238 120.300 -0.096 0.000 2.496 271 Y HA 0.281 4.832 4.550 0.001 0.000 0.334 271 Y C -1.976 173.882 175.900 -0.070 0.000 1.080 271 Y CA -1.800 56.247 58.100 -0.088 0.000 1.355 271 Y CB -0.251 38.169 38.460 -0.067 0.000 1.193 271 Y HN 0.096 nan 8.280 nan 0.000 0.523 272 P HA 0.163 nan 4.420 nan 0.000 0.282 272 P C 0.379 177.703 177.300 0.039 0.000 1.249 272 P CA 0.044 63.153 63.100 0.014 0.000 0.806 272 P CB 1.543 33.231 31.700 -0.019 0.000 0.984 273 G N 2.362 111.185 108.800 0.039 0.000 2.221 273 G HA2 -0.201 3.759 3.960 0.001 0.000 0.265 273 G HA3 -0.201 3.759 3.960 0.001 0.000 0.265 273 G C 0.274 175.200 174.900 0.043 0.000 1.041 273 G CA -0.441 44.688 45.100 0.047 0.000 0.807 273 G HN 0.456 nan 8.290 nan 0.000 0.502 274 I N 0.238 120.837 120.570 0.050 0.000 2.696 274 I HA 0.273 4.443 4.170 0.001 0.000 0.284 274 I C 0.926 177.068 176.117 0.042 0.000 1.129 274 I CA 0.448 61.769 61.300 0.035 0.000 1.410 274 I CB 0.746 38.769 38.000 0.038 0.000 1.399 274 I HN 0.387 nan 8.210 nan 0.000 0.579 275 K N 4.131 124.546 120.400 0.024 0.000 2.375 275 K HA 0.651 4.971 4.320 0.001 0.000 0.249 275 K C -0.131 176.479 176.600 0.018 0.000 0.942 275 K CA -0.727 55.577 56.287 0.029 0.000 0.806 275 K CB 2.420 34.928 32.500 0.013 0.000 1.227 275 K HN 0.341 nan 8.250 nan 0.000 0.430 276 V N -2.327 117.604 119.914 0.028 0.000 3.426 276 V HA 0.119 4.239 4.120 0.001 0.000 0.271 276 V C 1.965 178.065 176.094 0.009 0.000 1.530 276 V CA 0.002 62.311 62.300 0.015 0.000 1.021 276 V CB 0.145 31.986 31.823 0.031 0.000 0.824 276 V HN 0.793 nan 8.190 nan 0.000 0.432 277 R N 1.970 122.482 120.500 0.020 0.000 2.196 277 R HA -0.257 4.084 4.340 0.001 0.000 0.244 277 R C 2.176 178.474 176.300 -0.003 0.000 1.121 277 R CA 2.834 58.943 56.100 0.015 0.000 0.930 277 R CB -0.802 29.506 30.300 0.014 0.000 0.890 277 R HN 0.564 nan 8.270 nan 0.000 0.435 278 Q N -0.536 119.255 119.800 -0.015 0.000 2.500 278 Q HA -0.069 4.271 4.340 0.001 0.000 0.213 278 Q C 1.645 177.619 176.000 -0.044 0.000 0.974 278 Q CA 0.744 56.530 55.803 -0.028 0.000 0.918 278 Q CB -0.039 28.678 28.738 -0.035 0.000 0.980 278 Q HN 0.305 nan 8.270 nan 0.000 0.505 279 L N -0.157 121.039 121.223 -0.045 0.000 2.388 279 L HA 0.027 4.367 4.340 0.001 0.000 0.209 279 L C 2.215 179.062 176.870 -0.038 0.000 1.061 279 L CA 1.329 56.130 54.840 -0.066 0.000 0.834 279 L CB -0.486 41.524 42.059 -0.082 0.000 1.029 279 L HN 0.137 nan 8.230 nan 0.000 0.473 280 S N -0.897 114.793 115.700 -0.015 0.000 2.387 280 S HA -0.220 4.251 4.470 0.001 0.000 0.226 280 S C 2.101 176.701 174.600 -0.000 0.000 1.026 280 S CA 1.180 59.380 58.200 0.000 0.000 0.972 280 S CB -0.510 62.699 63.200 0.015 0.000 0.814 280 S HN 0.426 nan 8.310 nan 0.000 0.477 281 K N 0.681 121.079 120.400 -0.004 0.000 2.074 281 K HA -0.114 4.206 4.320 0.001 0.000 0.209 281 K C 1.974 178.570 176.600 -0.007 0.000 1.048 281 K CA 1.529 57.814 56.287 -0.003 0.000 0.926 281 K CB -0.503 31.993 32.500 -0.006 0.000 0.713 281 K HN 0.420 nan 8.250 nan 0.000 0.444 282 L N 1.502 122.714 121.223 -0.017 0.000 2.651 282 L HA -0.048 4.293 4.340 0.001 0.000 0.236 282 L C 0.768 177.635 176.870 -0.005 0.000 1.173 282 L CA 1.329 56.157 54.840 -0.020 0.000 0.843 282 L CB -0.075 41.957 42.059 -0.045 0.000 0.964 282 L HN 0.212 nan 8.230 nan 0.000 0.454 283 L N -1.210 120.014 121.223 0.001 0.000 3.255 283 L HA 0.254 4.594 4.340 0.001 0.000 0.293 283 L C 1.470 178.346 176.870 0.011 0.000 1.302 283 L CA -0.191 54.654 54.840 0.009 0.000 0.977 283 L CB -0.067 42.000 42.059 0.013 0.000 1.390 283 L HN 0.138 nan 8.230 nan 0.000 0.588 284 R N 0.297 120.802 120.500 0.009 0.000 2.090 284 R HA 0.101 4.441 4.340 0.001 0.000 0.219 284 R C 1.415 177.721 176.300 0.010 0.000 1.100 284 R CA 0.671 56.777 56.100 0.009 0.000 0.991 284 R CB -0.088 30.216 30.300 0.008 0.000 0.893 284 R HN 0.293 nan 8.270 nan 0.000 0.443 285 G N 3.287 112.094 108.800 0.010 0.000 2.789 285 G HA2 0.002 3.962 3.960 0.001 0.000 0.281 285 G HA3 0.002 3.962 3.960 0.001 0.000 0.281 285 G C 0.013 174.920 174.900 0.012 0.000 0.708 285 G CA -0.326 44.781 45.100 0.011 0.000 2.067 285 G HN 0.228 nan 8.290 nan 0.000 0.554 286 T N 0.432 114.993 114.554 0.012 0.000 2.750 286 T HA 0.250 4.601 4.350 0.001 0.000 0.277 286 T C 0.256 174.963 174.700 0.012 0.000 0.996 286 T CA 0.082 62.189 62.100 0.012 0.000 1.195 286 T CB 1.408 70.282 68.868 0.010 0.000 0.963 286 T HN 0.349 nan 8.240 nan 0.000 0.516 287 K N 1.005 121.413 120.400 0.013 0.000 2.228 287 K HA 0.704 5.025 4.320 0.001 0.000 0.261 287 K C -0.416 176.192 176.600 0.012 0.000 0.941 287 K CA -0.864 55.430 56.287 0.013 0.000 0.792 287 K CB 1.232 33.740 32.500 0.015 0.000 1.495 287 K HN 0.667 nan 8.250 nan 0.000 0.387 288 A N 1.301 124.128 122.820 0.012 0.000 2.488 288 A HA 0.252 4.573 4.320 0.001 0.000 0.249 288 A C 0.468 178.061 177.584 0.015 0.000 1.083 288 A CA 0.050 52.093 52.037 0.010 0.000 0.768 288 A CB -0.352 18.652 19.000 0.008 0.000 1.017 288 A HN 0.395 nan 8.150 nan 0.000 0.496 289 L N 2.991 124.221 121.223 0.012 0.000 2.747 289 L HA 0.086 4.426 4.340 0.001 0.000 0.248 289 L C 1.702 178.581 176.870 0.014 0.000 1.191 289 L CA 1.756 56.606 54.840 0.016 0.000 1.003 289 L CB -0.772 41.294 42.059 0.012 0.000 1.235 289 L HN 0.937 nan 8.230 nan 0.000 0.426 290 T N -6.256 108.305 114.554 0.012 0.000 3.130 290 T HA 0.108 4.458 4.350 0.001 0.000 0.288 290 T C 0.496 175.203 174.700 0.011 0.000 0.936 290 T CA -0.442 61.662 62.100 0.006 0.000 0.897 290 T CB -0.025 68.842 68.868 -0.002 0.000 1.178 290 T HN 0.238 nan 8.240 nan 0.000 0.543 291 E N 2.357 122.568 120.200 0.018 0.000 2.223 291 E HA 0.404 4.755 4.350 0.001 0.000 0.282 291 E C -0.546 176.076 176.600 0.035 0.000 1.046 291 E CA -0.499 55.914 56.400 0.022 0.000 0.857 291 E CB 1.014 30.726 29.700 0.021 0.000 1.055 291 E HN 0.138 nan 8.360 nan 0.000 0.409 292 V N 6.805 126.740 119.914 0.035 0.000 2.540 292 V HA 0.033 4.154 4.120 0.001 0.000 0.297 292 V C 0.561 176.690 176.094 0.059 0.000 1.024 292 V CA 0.443 62.775 62.300 0.053 0.000 1.105 292 V CB 0.374 32.223 31.823 0.043 0.000 0.938 292 V HN 0.662 nan 8.190 nan 0.000 0.482 293 I N 7.793 128.413 120.570 0.084 0.000 2.530 293 I HA 0.601 4.772 4.170 0.001 0.000 0.297 293 I C -2.071 174.095 176.117 0.082 0.000 1.011 293 I CA -2.368 58.974 61.300 0.070 0.000 1.107 293 I CB 2.717 40.756 38.000 0.065 0.000 1.285 293 I HN 0.507 nan 8.210 nan 0.000 0.436 294 P HA 0.254 nan 4.420 nan 0.000 0.276 294 P C -1.425 175.885 177.300 0.016 0.000 1.244 294 P CA -0.372 62.755 63.100 0.046 0.000 0.801 294 P CB 1.176 32.893 31.700 0.029 0.000 1.006 295 L N 1.208 122.431 121.223 0.000 0.000 2.282 295 L HA 0.349 4.689 4.340 0.001 0.000 0.288 295 L C 1.426 178.267 176.870 -0.048 0.000 1.033 295 L CA -0.595 54.206 54.840 -0.066 0.000 0.807 295 L CB 1.543 43.531 42.059 -0.118 0.000 1.209 295 L HN 0.482 nan 8.230 nan 0.000 0.423 296 T N -1.289 113.230 114.554 -0.058 0.000 2.816 296 T HA 0.128 4.478 4.350 0.001 0.000 0.282 296 T C 0.877 175.550 174.700 -0.045 0.000 0.993 296 T CA -0.265 61.810 62.100 -0.041 0.000 0.994 296 T CB 1.568 70.414 68.868 -0.036 0.000 1.025 296 T HN 0.764 nan 8.240 nan 0.000 0.529 297 E N 0.239 120.421 120.200 -0.031 0.000 2.001 297 E HA -0.166 4.185 4.350 0.001 0.000 0.193 297 E C 1.873 178.451 176.600 -0.037 0.000 0.994 297 E CA 1.387 57.769 56.400 -0.029 0.000 0.815 297 E CB -0.201 29.487 29.700 -0.019 0.000 0.770 297 E HN 0.808 nan 8.360 nan 0.000 0.453 298 E N 0.545 120.725 120.200 -0.032 0.000 2.208 298 E HA -0.244 4.106 4.350 0.001 0.000 0.202 298 E C 1.518 178.089 176.600 -0.048 0.000 1.014 298 E CA 1.393 57.772 56.400 -0.034 0.000 0.819 298 E CB -0.353 29.331 29.700 -0.027 0.000 0.735 298 E HN 0.399 nan 8.360 nan 0.000 0.469 299 A N 0.819 123.602 122.820 -0.062 0.000 1.831 299 A HA -0.118 4.203 4.320 0.001 0.000 0.213 299 A C 1.994 179.512 177.584 -0.110 0.000 1.223 299 A CA 0.937 52.919 52.037 -0.092 0.000 0.604 299 A CB -0.433 18.500 19.000 -0.111 0.000 0.878 299 A HN 0.047 nan 8.150 nan 0.000 0.450 300 E N 0.199 120.333 120.200 -0.109 0.000 2.233 300 E HA -0.249 4.101 4.350 0.001 0.000 0.210 300 E C 1.986 178.538 176.600 -0.080 0.000 1.046 300 E CA 1.545 57.883 56.400 -0.104 0.000 0.844 300 E CB -0.504 29.156 29.700 -0.066 0.000 0.741 300 E HN 0.649 nan 8.360 nan 0.000 0.465 301 L N -0.009 121.177 121.223 -0.062 0.000 2.034 301 L HA -0.108 4.232 4.340 0.001 0.000 0.203 301 L C 2.677 179.516 176.870 -0.053 0.000 1.074 301 L CA 1.259 56.071 54.840 -0.047 0.000 0.748 301 L CB -0.858 41.179 42.059 -0.036 0.000 0.905 301 L HN 0.155 nan 8.230 nan 0.000 0.439 302 E N 0.819 120.985 120.200 -0.057 0.000 2.208 302 E HA -0.302 4.049 4.350 0.001 0.000 0.202 302 E C 2.189 178.749 176.600 -0.067 0.000 1.014 302 E CA 1.672 58.040 56.400 -0.055 0.000 0.819 302 E CB -0.060 29.607 29.700 -0.055 0.000 0.735 302 E HN 0.355 nan 8.360 nan 0.000 0.469 303 L N 0.733 121.899 121.223 -0.094 0.000 1.961 303 L HA -0.070 4.270 4.340 0.001 0.000 0.209 303 L C 2.497 179.325 176.870 -0.070 0.000 1.075 303 L CA 2.396 57.170 54.840 -0.110 0.000 0.749 303 L CB -0.859 41.096 42.059 -0.173 0.000 0.890 303 L HN 0.126 nan 8.230 nan 0.000 0.433 304 A N -0.785 122.000 122.820 -0.058 0.000 1.948 304 A HA -0.281 4.040 4.320 0.001 0.000 0.220 304 A C 2.118 179.682 177.584 -0.034 0.000 1.177 304 A CA 2.123 54.139 52.037 -0.035 0.000 0.636 304 A CB -0.864 18.121 19.000 -0.025 0.000 0.815 304 A HN 0.713 nan 8.150 nan 0.000 0.449 305 E N -0.229 119.949 120.200 -0.037 0.000 2.012 305 E HA -0.213 4.137 4.350 0.001 0.000 0.197 305 E C 1.929 178.507 176.600 -0.036 0.000 1.007 305 E CA 1.309 57.690 56.400 -0.032 0.000 0.816 305 E CB -0.282 29.401 29.700 -0.029 0.000 0.762 305 E HN 0.609 nan 8.360 nan 0.000 0.451 306 N N 0.810 119.485 118.700 -0.041 0.000 2.036 306 N HA -0.213 4.527 4.740 0.001 0.000 0.195 306 N C 1.800 177.267 175.510 -0.072 0.000 1.037 306 N CA 0.949 53.968 53.050 -0.052 0.000 0.855 306 N CB -0.511 37.946 38.487 -0.050 0.000 1.033 306 N HN 0.115 nan 8.380 nan 0.000 0.423 307 R N 1.029 121.492 120.500 -0.061 0.000 2.226 307 R HA -0.147 4.193 4.340 0.001 0.000 0.246 307 R C 1.548 177.813 176.300 -0.059 0.000 1.161 307 R CA 1.188 57.254 56.100 -0.058 0.000 0.997 307 R CB 0.164 30.448 30.300 -0.028 0.000 0.870 307 R HN 0.211 nan 8.270 nan 0.000 0.465 308 E N 0.417 120.589 120.200 -0.048 0.000 2.030 308 E HA -0.090 4.261 4.350 0.001 0.000 0.189 308 E C 2.031 178.606 176.600 -0.042 0.000 0.974 308 E CA 1.039 57.418 56.400 -0.036 0.000 0.807 308 E CB -0.198 29.487 29.700 -0.024 0.000 0.771 308 E HN 0.372 nan 8.360 nan 0.000 0.451 309 I N 1.462 122.006 120.570 -0.043 0.000 2.181 309 I HA -0.322 3.848 4.170 0.001 0.000 0.247 309 I C 2.302 178.383 176.117 -0.060 0.000 1.081 309 I CA 1.151 62.440 61.300 -0.018 0.000 1.340 309 I CB -0.472 37.523 38.000 -0.008 0.000 1.036 309 I HN 0.067 nan 8.210 nan 0.000 0.417 310 L N 0.304 121.380 121.223 -0.246 0.000 2.549 310 L HA -0.132 4.208 4.340 0.001 0.000 0.229 310 L C 2.356 179.120 176.870 -0.177 0.000 1.158 310 L CA 0.881 55.410 54.840 -0.518 0.000 0.842 310 L CB -0.528 41.239 42.059 -0.486 0.000 0.952 310 L HN 0.262 nan 8.230 nan 0.000 0.452 311 K N 0.835 121.203 120.400 -0.053 0.000 2.067 311 K HA -0.052 4.268 4.320 0.001 0.000 0.203 311 K C 0.587 177.222 176.600 0.058 0.000 1.048 311 K CA 0.374 56.663 56.287 0.004 0.000 0.954 311 K CB 0.002 32.499 32.500 -0.005 0.000 0.737 311 K HN 0.419 nan 8.250 nan 0.000 0.444 312 E N 4.109 124.351 120.200 0.070 0.000 2.351 312 E HA 0.079 4.430 4.350 0.001 0.000 0.266 312 E C -2.368 174.308 176.600 0.127 0.000 1.031 312 E CA -1.867 54.572 56.400 0.066 0.000 0.911 312 E CB 0.015 29.735 29.700 0.033 0.000 0.986 312 E HN 0.015 nan 8.360 nan 0.000 0.446 313 P HA -0.025 nan 4.420 nan 0.000 0.271 313 P C -0.302 176.935 177.300 -0.103 0.000 1.218 313 P CA -0.234 62.891 63.100 0.042 0.000 0.780 313 P CB 1.208 32.924 31.700 0.026 0.000 0.901 314 V N -0.232 119.505 119.914 -0.296 0.000 3.160 314 V HA 0.869 4.989 4.120 0.001 0.000 0.310 314 V C -0.856 174.942 176.094 -0.492 0.000 1.181 314 V CA -0.850 61.155 62.300 -0.491 0.000 1.047 314 V CB 1.767 33.189 31.823 -0.667 0.000 1.068 314 V HN 0.997 nan 8.190 nan 0.000 0.441 315 H N -0.586 118.199 119.070 -0.475 0.000 2.948 315 H HA 0.914 5.471 4.556 0.001 0.000 0.315 315 H C -0.444 174.424 175.328 -0.766 0.000 1.360 315 H CA -0.272 55.409 56.048 -0.612 0.000 1.125 315 H CB 1.287 30.798 29.762 -0.418 0.000 1.844 315 H HN 1.274 nan 8.280 nan 0.000 0.529 316 G N -0.357 107.877 108.800 -0.944 0.000 2.658 316 G HA2 0.597 4.557 3.960 0.001 0.000 0.292 316 G HA3 0.597 4.557 3.960 0.001 0.000 0.292 316 G C -1.163 173.287 174.900 -0.751 0.000 1.320 316 G CA -0.580 43.979 45.100 -0.901 0.000 0.933 316 G HN 0.569 nan 8.290 nan 0.000 0.476 317 V N -0.860 118.907 119.914 -0.245 0.000 3.284 317 V HA 0.577 4.697 4.120 0.001 0.000 0.309 317 V C -0.578 175.530 176.094 0.025 0.000 1.190 317 V CA -0.877 61.300 62.300 -0.205 0.000 1.038 317 V CB 1.240 33.029 31.823 -0.058 0.000 1.198 317 V HN 0.607 nan 8.190 nan 0.000 0.465 318 Y N -0.900 119.568 120.300 0.279 0.000 2.496 318 Y HA 0.512 5.062 4.550 0.001 0.000 0.325 318 Y C -0.300 175.771 175.900 0.286 0.000 1.271 318 Y CA -1.106 57.159 58.100 0.275 0.000 1.368 318 Y CB 0.408 38.975 38.460 0.178 0.000 1.415 318 Y HN 0.545 nan 8.280 nan 0.000 0.527 319 Y N 1.180 121.692 120.300 0.353 0.000 2.330 319 Y HA 0.361 4.912 4.550 0.001 0.000 0.336 319 Y C -0.903 175.077 175.900 0.132 0.000 1.036 319 Y CA -1.126 57.110 58.100 0.227 0.000 1.125 319 Y CB 0.964 39.646 38.460 0.370 0.000 1.194 319 Y HN 0.523 nan 8.280 nan 0.000 0.469 320 D N 8.421 128.447 120.400 -0.623 0.000 2.462 320 D HA 0.304 4.944 4.640 0.001 0.000 0.245 320 D C -2.118 173.607 176.300 -0.958 0.000 1.122 320 D CA -2.608 51.055 54.000 -0.561 0.000 0.864 320 D CB 1.966 42.606 40.800 -0.266 0.000 1.098 320 D HN 0.340 nan 8.370 nan 0.000 0.541 321 P HA -0.104 nan 4.420 nan 0.000 0.223 321 P C 0.802 177.976 177.300 -0.210 0.000 1.151 321 P CA 0.542 63.390 63.100 -0.420 0.000 0.787 321 P CB 0.138 31.842 31.700 0.006 0.000 0.788 322 S N -1.398 114.191 115.700 -0.185 0.000 2.840 322 S HA 0.159 4.629 4.470 0.001 0.000 0.235 322 S C 0.462 174.987 174.600 -0.125 0.000 0.968 322 S CA -0.285 57.849 58.200 -0.111 0.000 1.026 322 S CB -0.864 62.289 63.200 -0.078 0.000 0.788 322 S HN 0.079 nan 8.310 nan 0.000 0.487 323 K N 0.835 121.127 120.400 -0.180 0.000 2.561 323 K HA 0.186 4.506 4.320 0.001 0.000 0.254 323 K C -1.626 174.865 176.600 -0.182 0.000 0.942 323 K CA -0.546 55.644 56.287 -0.161 0.000 0.818 323 K CB 1.204 33.607 32.500 -0.161 0.000 1.306 323 K HN 0.093 nan 8.250 nan 0.000 0.435 324 D N 2.236 122.553 120.400 -0.138 0.000 2.515 324 D HA -0.093 4.548 4.640 0.001 0.000 0.232 324 D C -0.427 175.748 176.300 -0.209 0.000 1.157 324 D CA 0.539 54.452 54.000 -0.145 0.000 0.871 324 D CB 0.683 41.406 40.800 -0.128 0.000 1.200 324 D HN 0.240 nan 8.370 nan 0.000 0.466 325 L N 4.661 125.751 121.223 -0.220 0.000 2.264 325 L HA 0.243 4.584 4.340 0.001 0.000 0.287 325 L C -0.745 175.873 176.870 -0.419 0.000 1.039 325 L CA -0.381 54.261 54.840 -0.331 0.000 0.829 325 L CB 0.438 42.316 42.059 -0.300 0.000 1.211 325 L HN 0.162 nan 8.230 nan 0.000 0.427 326 I N 4.093 124.320 120.570 -0.571 0.000 2.577 326 I HA 0.761 4.931 4.170 0.001 0.000 0.305 326 I C 0.184 175.865 176.117 -0.726 0.000 0.986 326 I CA -0.742 60.137 61.300 -0.703 0.000 1.189 326 I CB 1.421 38.824 38.000 -0.995 0.000 1.355 326 I HN 0.701 nan 8.210 nan 0.000 0.476 327 A N 4.338 126.801 122.820 -0.594 0.000 2.488 327 A HA 0.682 5.002 4.320 0.001 0.000 0.298 327 A C -0.823 176.689 177.584 -0.119 0.000 1.044 327 A CA -0.549 51.277 52.037 -0.352 0.000 0.693 327 A CB 2.096 20.809 19.000 -0.478 0.000 1.272 327 A HN 0.772 nan 8.150 nan 0.000 0.402 328 E N 1.534 121.812 120.200 0.131 0.000 2.312 328 E HA 0.774 5.125 4.350 0.001 0.000 0.267 328 E C -1.600 175.165 176.600 0.276 0.000 0.894 328 E CA -0.619 55.911 56.400 0.216 0.000 0.773 328 E CB 2.041 31.877 29.700 0.228 0.000 1.241 328 E HN 0.766 nan 8.360 nan 0.000 0.432 329 I N 1.513 122.240 120.570 0.262 0.000 2.894 329 I HA 0.395 4.566 4.170 0.001 0.000 0.302 329 I C -1.965 174.294 176.117 0.237 0.000 1.188 329 I CA -0.463 61.014 61.300 0.296 0.000 1.014 329 I CB 2.080 40.257 38.000 0.296 0.000 1.242 329 I HN 0.620 nan 8.210 nan 0.000 0.430 330 Q N 4.524 124.457 119.800 0.223 0.000 2.456 330 Q HA 0.429 4.769 4.340 0.001 0.000 0.283 330 Q C -1.399 174.603 176.000 0.003 0.000 1.084 330 Q CA -0.841 55.022 55.803 0.099 0.000 0.801 330 Q CB 2.016 30.782 28.738 0.046 0.000 1.434 330 Q HN 0.471 nan 8.270 nan 0.000 0.419 331 K N 0.925 121.183 120.400 -0.236 0.000 2.218 331 K HA 0.153 4.473 4.320 0.001 0.000 0.276 331 K C -0.124 176.273 176.600 -0.337 0.000 1.022 331 K CA 0.078 56.015 56.287 -0.583 0.000 0.946 331 K CB 0.674 32.720 32.500 -0.758 0.000 1.000 331 K HN 0.622 nan 8.250 nan 0.000 0.468 332 Q N 2.067 121.661 119.800 -0.345 0.000 2.217 332 Q HA 0.138 4.479 4.340 0.001 0.000 0.217 332 Q C 0.076 175.957 176.000 -0.198 0.000 0.844 332 Q CA 0.284 55.979 55.803 -0.180 0.000 0.957 332 Q CB 1.073 29.762 28.738 -0.081 0.000 1.127 332 Q HN 1.063 nan 8.270 nan 0.000 0.503 333 G N 2.394 111.002 108.800 -0.320 0.000 2.814 333 G HA2 -0.328 3.632 3.960 0.001 0.000 0.677 333 G HA3 -0.328 3.632 3.960 0.001 0.000 0.677 333 G C -0.150 174.636 174.900 -0.189 0.000 1.429 333 G CA -0.164 44.785 45.100 -0.252 0.000 0.868 333 G HN 0.474 nan 8.290 nan 0.000 0.553 334 Q N -1.652 118.070 119.800 -0.131 0.000 2.435 334 Q HA -0.073 4.267 4.340 0.001 0.000 0.286 334 Q C 1.564 177.529 176.000 -0.058 0.000 1.229 334 Q CA 2.228 57.988 55.803 -0.072 0.000 0.884 334 Q CB -2.018 26.694 28.738 -0.044 0.000 1.245 334 Q HN 3.016 nan 8.270 nan 0.000 0.488 335 G N -1.164 107.586 108.800 -0.083 0.000 2.199 335 G HA2 -0.343 3.617 3.960 0.001 0.000 0.254 335 G HA3 -0.343 3.617 3.960 0.001 0.000 0.254 335 G C 0.076 175.046 174.900 0.116 0.000 0.982 335 G CA 0.482 45.599 45.100 0.029 0.000 0.632 335 G HN 0.616 nan 8.290 nan 0.000 0.529 336 Q N -1.140 118.653 119.800 -0.012 0.000 2.260 336 Q HA 0.637 4.977 4.340 0.001 0.000 0.238 336 Q C -0.680 175.325 176.000 0.009 0.000 0.948 336 Q CA -0.277 55.586 55.803 0.100 0.000 0.895 336 Q CB 1.103 29.860 28.738 0.031 0.000 1.218 336 Q HN 0.375 nan 8.270 nan 0.000 0.470 337 W N -0.225 121.067 121.300 -0.013 0.000 3.256 337 W HA 0.384 5.045 4.660 0.000 0.000 0.324 337 W C -0.880 175.723 176.519 0.141 0.000 1.196 337 W CA -0.363 56.995 57.345 0.023 0.000 1.206 337 W CB 1.693 31.133 29.460 -0.034 0.000 1.385 337 W HN 0.393 nan 8.180 nan 0.000 0.522 338 T N 1.859 116.629 114.554 0.360 0.000 2.930 338 T HA 0.781 5.131 4.350 0.001 0.000 0.290 338 T C -1.438 173.539 174.700 0.463 0.000 1.052 338 T CA -0.612 61.700 62.100 0.353 0.000 1.017 338 T CB 1.987 70.961 68.868 0.177 0.000 1.137 338 T HN 0.353 nan 8.240 nan 0.000 0.511 339 Y N -1.250 119.142 120.300 0.154 0.000 2.741 339 Y HA 0.668 5.218 4.550 0.001 0.000 0.339 339 Y C -1.880 174.101 175.900 0.135 0.000 1.226 339 Y CA -1.384 56.806 58.100 0.151 0.000 1.072 339 Y CB 1.004 39.567 38.460 0.172 0.000 1.331 339 Y HN 0.592 nan 8.280 nan 0.000 0.453 340 Q N 2.060 121.964 119.800 0.174 0.000 2.482 340 Q HA 0.672 5.012 4.340 0.001 0.000 0.286 340 Q C -1.816 174.308 176.000 0.207 0.000 1.007 340 Q CA -0.826 55.029 55.803 0.086 0.000 0.801 340 Q CB 3.071 31.858 28.738 0.081 0.000 1.455 340 Q HN 0.900 nan 8.270 nan 0.000 0.398 341 I N 1.967 122.635 120.570 0.164 0.000 2.465 341 I HA 0.623 4.794 4.170 0.001 0.000 0.291 341 I C -0.913 175.252 176.117 0.080 0.000 1.014 341 I CA -0.951 60.370 61.300 0.036 0.000 1.093 341 I CB 1.338 39.352 38.000 0.024 0.000 1.267 341 I HN 0.736 nan 8.210 nan 0.000 0.431 342 Y N 2.936 123.164 120.300 -0.121 0.000 2.896 342 Y HA 0.591 5.142 4.550 0.001 0.000 0.317 342 Y C -0.181 175.628 175.900 -0.152 0.000 1.444 342 Y CA -0.831 57.202 58.100 -0.113 0.000 1.084 342 Y CB 1.087 39.491 38.460 -0.094 0.000 1.382 342 Y HN 0.446 nan 8.280 nan 0.000 0.471 343 Q N -1.074 118.774 119.800 0.079 0.000 2.104 343 Q HA 0.256 4.596 4.340 0.001 0.000 0.240 343 Q C -0.979 175.069 176.000 0.080 0.000 0.743 343 Q CA -0.033 55.734 55.803 -0.061 0.000 0.920 343 Q CB 1.641 30.305 28.738 -0.123 0.000 1.198 343 Q HN 0.503 nan 8.270 nan 0.000 0.465 344 E N 1.596 121.901 120.200 0.175 0.000 2.244 344 E HA 0.323 4.674 4.350 0.001 0.000 0.260 344 E C -2.720 173.887 176.600 0.011 0.000 0.884 344 E CA -2.218 54.231 56.400 0.082 0.000 0.777 344 E CB 1.859 31.577 29.700 0.031 0.000 1.197 344 E HN -0.087 nan 8.360 nan 0.000 0.416 345 P HA -0.096 nan 4.420 nan 0.000 0.259 345 P C -0.167 176.883 177.300 -0.417 0.000 1.155 345 P CA 0.487 63.239 63.100 -0.580 0.000 0.759 345 P CB 0.019 31.376 31.700 -0.572 0.000 0.753 346 F N 0.567 120.292 119.950 -0.375 0.000 2.619 346 F HA -0.245 4.283 4.527 0.001 0.000 0.425 346 F C 0.682 176.373 175.800 -0.182 0.000 0.575 346 F CA 1.052 58.902 58.000 -0.249 0.000 1.289 346 F CB -1.804 37.091 39.000 -0.176 0.000 1.859 346 F HN 0.366 nan 8.300 nan 0.000 0.280 347 K N 1.900 122.308 120.400 0.012 0.000 2.533 347 K HA 0.293 4.614 4.320 0.001 0.000 0.207 347 K C -0.108 176.517 176.600 0.041 0.000 1.052 347 K CA -0.444 55.861 56.287 0.029 0.000 1.030 347 K CB 0.507 33.034 32.500 0.045 0.000 1.522 347 K HN 0.218 nan 8.250 nan 0.000 0.543 348 N N 1.418 120.130 118.700 0.019 0.000 2.508 348 N HA 0.150 4.890 4.740 0.001 0.000 0.285 348 N C 0.637 176.200 175.510 0.089 0.000 1.144 348 N CA -0.586 52.524 53.050 0.100 0.000 0.978 348 N CB 0.919 39.463 38.487 0.096 0.000 1.180 348 N HN 0.056 nan 8.380 nan 0.000 0.484 349 L N -0.739 120.589 121.223 0.175 0.000 2.102 349 L HA 0.202 4.542 4.340 0.001 0.000 0.202 349 L C 1.124 178.246 176.870 0.420 0.000 1.076 349 L CA 1.243 56.272 54.840 0.314 0.000 0.761 349 L CB -0.342 41.946 42.059 0.381 0.000 0.921 349 L HN 0.702 nan 8.230 nan 0.000 0.444 350 K N -1.077 119.529 120.400 0.342 0.000 2.556 350 K HA 0.459 4.779 4.320 0.001 0.000 0.274 350 K C -1.279 175.387 176.600 0.109 0.000 0.966 350 K CA -0.439 56.051 56.287 0.338 0.000 0.865 350 K CB 1.962 34.749 32.500 0.478 0.000 1.444 350 K HN 0.016 nan 8.250 nan 0.000 0.433 351 T N -1.204 113.349 114.554 -0.002 0.000 2.888 351 T HA 0.919 5.269 4.350 0.001 0.000 0.288 351 T C 0.082 174.541 174.700 -0.402 0.000 1.063 351 T CA -0.576 61.400 62.100 -0.207 0.000 1.010 351 T CB 1.962 70.757 68.868 -0.123 0.000 1.214 351 T HN 0.773 nan 8.240 nan 0.000 0.533 352 G N 0.020 108.398 108.800 -0.703 0.000 2.430 352 G HA2 0.618 4.579 3.960 0.001 0.000 0.300 352 G HA3 0.618 4.579 3.960 0.001 0.000 0.300 352 G C -2.012 172.814 174.900 -0.123 0.000 1.330 352 G CA -0.908 43.846 45.100 -0.577 0.000 0.813 352 G HN 1.013 nan 8.290 nan 0.000 0.487 353 K N -2.055 118.572 120.400 0.379 0.000 2.469 353 K HA 0.789 5.109 4.320 0.001 0.000 0.268 353 K C -2.011 174.891 176.600 0.504 0.000 1.027 353 K CA -1.132 55.439 56.287 0.474 0.000 0.893 353 K CB 2.637 35.299 32.500 0.270 0.000 1.460 353 K HN 0.697 nan 8.250 nan 0.000 0.449 354 Y N 0.209 120.650 120.300 0.235 0.000 2.325 354 Y HA 0.524 5.074 4.550 0.001 0.000 0.336 354 Y C -1.467 174.513 175.900 0.134 0.000 1.130 354 Y CA -1.270 56.888 58.100 0.097 0.000 1.264 354 Y CB 1.299 39.715 38.460 -0.073 0.000 1.128 354 Y HN 0.854 nan 8.280 nan 0.000 0.469 355 A N 5.378 128.479 122.820 0.469 0.000 2.503 355 A HA 0.317 4.637 4.320 0.001 0.000 0.263 355 A C 0.622 178.323 177.584 0.195 0.000 1.258 355 A CA -0.416 51.767 52.037 0.243 0.000 0.936 355 A CB 0.040 19.144 19.000 0.174 0.000 1.070 355 A HN 0.487 nan 8.150 nan 0.000 0.522 356 R N 0.836 121.550 120.500 0.356 0.000 2.234 356 R HA 0.401 4.741 4.340 0.001 0.000 0.324 356 R C -0.603 175.757 176.300 0.100 0.000 1.054 356 R CA -0.258 56.002 56.100 0.267 0.000 0.912 356 R CB 0.267 30.781 30.300 0.357 0.000 1.030 356 R HN 0.352 nan 8.270 nan 0.000 0.455 357 M N 5.308 124.932 119.600 0.040 0.000 2.923 357 M HA 0.210 4.691 4.480 0.001 0.000 0.311 357 M C 0.125 176.427 176.300 0.003 0.000 1.376 357 M CA 0.063 55.357 55.300 -0.011 0.000 1.468 357 M CB 0.406 33.003 32.600 -0.005 0.000 1.151 357 M HN 0.233 nan 8.290 nan 0.000 0.517 358 R N 2.289 122.795 120.500 0.010 0.000 2.399 358 R HA 0.365 4.705 4.340 0.001 0.000 0.324 358 R C 0.511 176.811 176.300 -0.000 0.000 1.030 358 R CA 0.546 56.658 56.100 0.020 0.000 0.984 358 R CB 0.159 30.482 30.300 0.038 0.000 0.961 358 R HN 0.924 nan 8.270 nan 0.000 0.433 359 G N 1.228 110.027 108.800 -0.002 0.000 2.498 359 G HA2 -0.046 3.914 3.960 0.001 0.000 0.651 359 G HA3 -0.046 3.914 3.960 0.001 0.000 0.651 359 G C -0.288 174.573 174.900 -0.065 0.000 1.284 359 G CA -0.296 44.795 45.100 -0.016 0.000 0.950 359 G HN 0.561 nan 8.290 nan 0.000 0.511 360 A N -1.337 121.392 122.820 -0.151 0.000 2.390 360 A HA 0.557 4.877 4.320 0.001 0.000 0.225 360 A C 0.538 177.864 177.584 -0.429 0.000 1.232 360 A CA 0.896 52.742 52.037 -0.317 0.000 0.964 360 A CB 0.397 19.119 19.000 -0.463 0.000 1.064 360 A HN 1.057 nan 8.150 nan 0.000 0.525 361 H N 1.137 120.236 119.070 0.049 0.000 2.429 361 H HA 0.374 4.931 4.556 0.001 0.000 0.231 361 H C -0.396 174.969 175.328 0.062 0.000 1.416 361 H CA 0.389 56.470 56.048 0.055 0.000 1.443 361 H CB 0.161 29.957 29.762 0.057 0.000 1.591 361 H HN 0.417 nan 8.280 nan 0.000 0.507 362 T N -0.759 113.865 114.554 0.117 0.000 2.831 362 T HA 0.575 4.926 4.350 0.001 0.000 0.287 362 T C 0.290 174.978 174.700 -0.021 0.000 1.070 362 T CA -0.917 61.208 62.100 0.041 0.000 1.010 362 T CB 2.513 71.366 68.868 -0.025 0.000 1.264 362 T HN 0.452 nan 8.240 nan 0.000 0.532 363 N N -0.838 117.782 118.700 -0.133 0.000 3.201 363 N HA 0.467 5.207 4.740 0.001 0.000 0.344 363 N C -0.018 175.348 175.510 -0.240 0.000 1.465 363 N CA -0.748 52.182 53.050 -0.200 0.000 0.731 363 N CB 0.160 38.479 38.487 -0.281 0.000 1.677 363 N HN 0.410 nan 8.380 nan 0.000 0.631 364 D N -0.673 119.570 120.400 -0.262 0.000 2.123 364 D HA -0.037 4.603 4.640 0.001 0.000 0.200 364 D C 1.718 177.890 176.300 -0.214 0.000 0.976 364 D CA 0.906 54.843 54.000 -0.105 0.000 0.831 364 D CB -0.348 40.358 40.800 -0.157 0.000 0.974 364 D HN 0.279 nan 8.370 nan 0.000 0.469 365 V N 0.842 120.473 119.914 -0.472 0.000 2.720 365 V HA -0.208 3.913 4.120 0.001 0.000 0.256 365 V C 2.159 177.829 176.094 -0.706 0.000 1.082 365 V CA 1.415 63.340 62.300 -0.623 0.000 1.101 365 V CB -0.295 30.970 31.823 -0.931 0.000 0.693 365 V HN 0.168 nan 8.190 nan 0.000 0.479 366 K N -0.419 119.566 120.400 -0.692 0.000 2.021 366 K HA -0.088 4.233 4.320 0.001 0.000 0.205 366 K C 2.214 178.569 176.600 -0.408 0.000 1.047 366 K CA 1.089 57.083 56.287 -0.488 0.000 0.943 366 K CB -0.164 32.124 32.500 -0.353 0.000 0.725 366 K HN 0.459 nan 8.250 nan 0.000 0.439 367 Q N 0.532 120.084 119.800 -0.413 0.000 2.364 367 Q HA -0.134 4.207 4.340 0.001 0.000 0.207 367 Q C 1.928 177.287 176.000 -1.069 0.000 0.970 367 Q CA 0.684 56.136 55.803 -0.584 0.000 0.888 367 Q CB 0.036 28.562 28.738 -0.353 0.000 0.951 367 Q HN 0.166 nan 8.270 nan 0.000 0.469 368 L N 0.244 120.902 121.223 -0.942 0.000 2.102 368 L HA -0.089 4.251 4.340 0.001 0.000 0.202 368 L C 2.296 178.723 176.870 -0.738 0.000 1.076 368 L CA 2.085 56.264 54.840 -1.102 0.000 0.761 368 L CB -0.751 40.957 42.059 -0.585 0.000 0.921 368 L HN 0.176 nan 8.230 nan 0.000 0.444 369 T N -3.386 110.827 114.554 -0.567 0.000 2.915 369 T HA -0.145 4.205 4.350 0.001 0.000 0.269 369 T C 1.658 176.153 174.700 -0.342 0.000 1.071 369 T CA 1.285 63.106 62.100 -0.465 0.000 1.132 369 T CB -0.547 68.148 68.868 -0.288 0.000 0.878 369 T HN 0.441 nan 8.240 nan 0.000 0.479 370 E N 1.438 121.460 120.200 -0.297 0.000 2.153 370 E HA -0.036 4.315 4.350 0.001 0.000 0.194 370 E C 2.501 179.139 176.600 0.062 0.000 0.988 370 E CA 1.041 57.390 56.400 -0.085 0.000 0.811 370 E CB -0.258 29.424 29.700 -0.030 0.000 0.746 370 E HN 0.704 nan 8.360 nan 0.000 0.466 371 A N 0.633 123.423 122.820 -0.049 0.000 1.935 371 A HA -0.060 4.261 4.320 0.001 0.000 0.214 371 A C 2.425 179.843 177.584 -0.276 0.000 1.178 371 A CA 0.532 52.547 52.037 -0.036 0.000 0.640 371 A CB -0.335 18.562 19.000 -0.172 0.000 0.825 371 A HN 0.098 nan 8.150 nan 0.000 0.447 372 V N 0.148 119.828 119.914 -0.390 0.000 2.453 372 V HA -0.350 3.770 4.120 0.001 0.000 0.252 372 V C 2.598 178.522 176.094 -0.283 0.000 1.068 372 V CA 2.380 64.394 62.300 -0.476 0.000 1.070 372 V CB -0.992 30.353 31.823 -0.798 0.000 0.664 372 V HN 0.623 nan 8.190 nan 0.000 0.461 373 Q N -0.094 119.562 119.800 -0.240 0.000 1.994 373 Q HA -0.182 4.158 4.340 0.001 0.000 0.198 373 Q C 2.307 178.223 176.000 -0.140 0.000 0.976 373 Q CA 1.652 57.364 55.803 -0.152 0.000 0.828 373 Q CB -0.374 28.287 28.738 -0.129 0.000 0.894 373 Q HN 0.462 nan 8.270 nan 0.000 0.432 374 K N 1.235 121.499 120.400 -0.227 0.000 2.071 374 K HA -0.214 4.106 4.320 0.001 0.000 0.217 374 K C 1.596 178.103 176.600 -0.156 0.000 1.054 374 K CA 1.845 57.975 56.287 -0.263 0.000 0.937 374 K CB -0.610 31.601 32.500 -0.482 0.000 0.719 374 K HN 0.276 nan 8.250 nan 0.000 0.454 375 I N 0.012 120.489 120.570 -0.156 0.000 2.394 375 I HA -0.227 3.943 4.170 0.001 0.000 0.251 375 I C 1.820 177.993 176.117 0.093 0.000 1.136 375 I CA 1.522 62.804 61.300 -0.029 0.000 1.425 375 I CB -0.518 37.470 38.000 -0.020 0.000 1.079 375 I HN 0.250 nan 8.210 nan 0.000 0.425 376 T N -0.331 114.281 114.554 0.098 0.000 2.698 376 T HA -0.129 4.221 4.350 0.001 0.000 0.260 376 T C 1.933 176.673 174.700 0.068 0.000 1.044 376 T CA 1.774 63.945 62.100 0.118 0.000 1.149 376 T CB -0.534 68.394 68.868 0.100 0.000 0.864 376 T HN 0.251 nan 8.240 nan 0.000 0.419 377 T N 1.761 116.328 114.554 0.022 0.000 2.536 377 T HA -0.229 4.121 4.350 0.001 0.000 0.263 377 T C 1.889 176.589 174.700 0.001 0.000 1.115 377 T CA 1.989 64.091 62.100 0.003 0.000 1.180 377 T CB -0.532 68.319 68.868 -0.028 0.000 0.864 377 T HN 0.554 nan 8.240 nan 0.000 0.419 378 E N 0.253 120.448 120.200 -0.009 0.000 2.068 378 E HA -0.247 4.104 4.350 0.001 0.000 0.207 378 E C 2.396 178.990 176.600 -0.010 0.000 1.032 378 E CA 1.792 58.181 56.400 -0.019 0.000 0.839 378 E CB -0.368 29.342 29.700 0.016 0.000 0.758 378 E HN 0.435 nan 8.360 nan 0.000 0.457 379 S N 0.016 115.774 115.700 0.097 0.000 2.374 379 S HA -0.188 4.283 4.470 0.001 0.000 0.227 379 S C 2.008 176.694 174.600 0.144 0.000 1.037 379 S CA 1.678 60.017 58.200 0.230 0.000 1.024 379 S CB -0.491 62.878 63.200 0.281 0.000 0.861 379 S HN 0.406 nan 8.310 nan 0.000 0.456 380 I N 1.110 121.725 120.570 0.075 0.000 2.439 380 I HA -0.061 4.110 4.170 0.001 0.000 0.251 380 I C 2.208 178.307 176.117 -0.029 0.000 1.139 380 I CA 0.713 62.041 61.300 0.047 0.000 1.438 380 I CB -0.523 37.504 38.000 0.045 0.000 1.085 380 I HN 0.204 nan 8.210 nan 0.000 0.427 381 V N 1.206 121.079 119.914 -0.069 0.000 2.490 381 V HA -0.223 3.898 4.120 0.001 0.000 0.250 381 V C 2.164 178.131 176.094 -0.211 0.000 1.061 381 V CA 1.777 64.009 62.300 -0.113 0.000 1.064 381 V CB -0.340 31.415 31.823 -0.113 0.000 0.670 381 V HN 0.379 nan 8.190 nan 0.000 0.461 382 I N -2.351 118.005 120.570 -0.356 0.000 2.810 382 I HA 0.001 4.171 4.170 0.001 0.000 0.262 382 I C 1.844 177.459 176.117 -0.837 0.000 1.131 382 I CA 0.796 61.672 61.300 -0.706 0.000 1.453 382 I CB 0.093 37.374 38.000 -1.198 0.000 1.161 382 I HN 0.344 nan 8.210 nan 0.000 0.444 383 W N 0.591 121.782 121.300 -0.181 0.000 3.008 383 W HA 0.369 5.029 4.660 0.001 0.000 0.355 383 W C 1.357 177.782 176.519 -0.156 0.000 1.095 383 W CA 0.459 57.617 57.345 -0.312 0.000 1.738 383 W CB -0.182 28.999 29.460 -0.466 0.000 1.091 383 W HN 0.260 nan 8.180 nan 0.000 0.574 384 G N 2.458 111.286 108.800 0.046 0.000 2.258 384 G HA2 -0.338 3.622 3.960 0.001 0.000 0.274 384 G HA3 -0.338 3.622 3.960 0.001 0.000 0.274 384 G C 0.187 175.144 174.900 0.095 0.000 1.021 384 G CA 1.331 46.461 45.100 0.050 0.000 0.798 384 G HN 0.298 nan 8.290 nan 0.000 0.507 385 K N -1.319 119.167 120.400 0.143 0.000 2.439 385 K HA 0.720 5.040 4.320 0.001 0.000 0.260 385 K C -1.005 175.673 176.600 0.130 0.000 1.032 385 K CA -0.288 56.080 56.287 0.135 0.000 0.882 385 K CB 1.898 34.493 32.500 0.158 0.000 1.420 385 K HN 0.113 nan 8.250 nan 0.000 0.455 386 T N 2.615 117.225 114.554 0.094 0.000 2.847 386 T HA 0.437 4.787 4.350 0.001 0.000 0.291 386 T C -2.628 172.076 174.700 0.007 0.000 0.998 386 T CA -1.821 60.328 62.100 0.082 0.000 0.967 386 T CB 1.132 70.069 68.868 0.115 0.000 0.954 386 T HN 0.396 nan 8.240 nan 0.000 0.441 387 P HA 0.182 nan 4.420 nan 0.000 0.268 387 P C -0.570 176.526 177.300 -0.340 0.000 1.208 387 P CA -0.261 62.642 63.100 -0.327 0.000 0.777 387 P CB 0.813 32.172 31.700 -0.569 0.000 0.875 388 K N 1.517 121.742 120.400 -0.292 0.000 2.118 388 K HA 0.431 4.751 4.320 0.001 0.000 0.264 388 K C -0.069 176.382 176.600 -0.250 0.000 1.000 388 K CA -0.263 55.952 56.287 -0.120 0.000 0.929 388 K CB 0.484 32.926 32.500 -0.096 0.000 1.021 388 K HN 0.360 nan 8.250 nan 0.000 0.463 389 F N 0.739 120.669 119.950 -0.033 0.000 2.541 389 F HA 0.422 4.949 4.527 0.001 0.000 0.331 389 F C 0.155 175.980 175.800 0.042 0.000 1.057 389 F CA -0.811 57.187 58.000 -0.003 0.000 0.975 389 F CB 1.680 40.683 39.000 0.004 0.000 1.246 389 F HN 0.104 nan 8.300 nan 0.000 0.484 390 K N 2.700 123.269 120.400 0.282 0.000 2.613 390 K HA 0.563 4.883 4.320 0.001 0.000 0.248 390 K C -1.670 175.079 176.600 0.249 0.000 0.959 390 K CA -0.354 56.040 56.287 0.178 0.000 0.855 390 K CB 1.631 34.185 32.500 0.089 0.000 1.143 390 K HN 0.451 nan 8.250 nan 0.000 0.437 391 L N 3.632 125.060 121.223 0.342 0.000 2.362 391 L HA 0.452 4.792 4.340 0.001 0.000 0.271 391 L C -2.164 174.930 176.870 0.373 0.000 1.002 391 L CA -2.353 52.705 54.840 0.362 0.000 0.818 391 L CB 2.192 44.489 42.059 0.396 0.000 1.298 391 L HN 0.311 nan 8.230 nan 0.000 0.420 392 P HA 0.148 nan 4.420 nan 0.000 0.258 392 P C -0.489 177.079 177.300 0.447 0.000 1.559 392 P CA 0.682 63.929 63.100 0.245 0.000 0.855 392 P CB -0.134 31.632 31.700 0.111 0.000 1.594 393 I N -1.145 119.792 120.570 0.611 0.000 2.478 393 I HA 0.237 4.407 4.170 0.001 0.000 0.287 393 I C -0.328 175.948 176.117 0.264 0.000 1.042 393 I CA -1.083 60.442 61.300 0.374 0.000 1.067 393 I CB 1.530 39.637 38.000 0.178 0.000 1.233 393 I HN -0.299 nan 8.210 nan 0.000 0.431 394 Q N 4.593 124.294 119.800 -0.166 0.000 2.310 394 Q HA -0.124 4.216 4.340 0.001 0.000 0.315 394 Q C 0.646 176.559 176.000 -0.145 0.000 1.081 394 Q CA 0.479 55.911 55.803 -0.618 0.000 0.981 394 Q CB 0.813 29.357 28.738 -0.324 0.000 1.184 394 Q HN 0.532 nan 8.270 nan 0.000 0.389 395 K N 2.794 123.016 120.400 -0.296 0.000 2.520 395 K HA -0.176 4.144 4.320 0.001 0.000 0.197 395 K C 0.919 177.652 176.600 0.221 0.000 1.043 395 K CA 1.470 57.772 56.287 0.025 0.000 0.944 395 K CB 0.272 32.691 32.500 -0.135 0.000 0.770 395 K HN 0.540 nan 8.250 nan 0.000 0.480 396 E N -2.228 118.055 120.200 0.139 0.000 2.228 396 E HA 0.018 4.368 4.350 0.001 0.000 0.197 396 E C 1.405 178.143 176.600 0.229 0.000 0.909 396 E CA 0.787 57.294 56.400 0.180 0.000 0.911 396 E CB 0.166 29.921 29.700 0.092 0.000 0.887 396 E HN 0.166 nan 8.360 nan 0.000 0.481 397 T N 1.282 115.948 114.554 0.187 0.000 2.896 397 T HA -0.213 4.138 4.350 0.001 0.000 0.270 397 T C 1.095 175.992 174.700 0.327 0.000 1.104 397 T CA 1.068 63.291 62.100 0.204 0.000 1.115 397 T CB -0.169 68.787 68.868 0.148 0.000 0.843 397 T HN 0.387 nan 8.240 nan 0.000 0.523 398 W N 1.466 122.884 121.300 0.197 0.000 2.539 398 W HA 0.101 4.761 4.660 0.001 0.000 0.299 398 W C 1.825 178.637 176.519 0.489 0.000 1.165 398 W CA 0.234 57.729 57.345 0.251 0.000 1.400 398 W CB 0.046 29.595 29.460 0.149 0.000 1.123 398 W HN 0.135 nan 8.180 nan 0.000 0.533 399 E N 0.401 120.895 120.200 0.490 0.000 2.501 399 E HA -0.144 4.207 4.350 0.001 0.000 0.203 399 E C 1.526 178.229 176.600 0.172 0.000 1.072 399 E CA 1.156 57.883 56.400 0.544 0.000 0.885 399 E CB 0.302 30.263 29.700 0.434 0.000 0.813 399 E HN 0.243 nan 8.360 nan 0.000 0.556 400 T N -0.349 114.275 114.554 0.116 0.000 3.246 400 T HA -0.083 4.267 4.350 0.001 0.000 0.231 400 T C 1.230 175.870 174.700 -0.100 0.000 0.986 400 T CA 0.121 62.219 62.100 -0.004 0.000 1.340 400 T CB -0.513 68.410 68.868 0.091 0.000 1.063 400 T HN 0.404 nan 8.240 nan 0.000 0.427 401 W N 2.288 123.483 121.300 -0.174 0.000 2.292 401 W HA -0.213 4.448 4.660 0.001 0.000 0.304 401 W C 2.061 178.380 176.519 -0.332 0.000 1.228 401 W CA 2.025 59.221 57.345 -0.249 0.000 1.241 401 W CB -0.432 28.867 29.460 -0.270 0.000 1.142 401 W HN 0.577 nan 8.180 nan 0.000 0.520 402 W N 0.697 121.627 121.300 -0.616 0.000 2.488 402 W HA -0.036 4.624 4.660 0.000 0.000 0.304 402 W C 1.979 178.292 176.519 -0.344 0.000 1.175 402 W CA 1.499 58.487 57.345 -0.596 0.000 1.365 402 W CB -1.634 27.385 29.460 -0.736 0.000 1.131 402 W HN -0.204 nan 8.180 nan 0.000 0.520 403 T N 1.362 114.879 114.554 -1.729 0.000 3.025 403 T HA -0.143 4.207 4.350 0.001 0.000 0.270 403 T C 1.411 175.686 174.700 -0.709 0.000 1.126 403 T CA 1.868 63.037 62.100 -1.553 0.000 1.105 403 T CB -0.127 67.927 68.868 -1.357 0.000 0.884 403 T HN 0.133 nan 8.240 nan 0.000 0.522 404 E N -0.852 119.017 120.200 -0.552 0.000 2.413 404 E HA 0.138 4.488 4.350 0.001 0.000 0.203 404 E C 0.067 176.460 176.600 -0.346 0.000 0.957 404 E CA -0.105 56.078 56.400 -0.362 0.000 0.950 404 E CB 0.108 29.644 29.700 -0.274 0.000 0.957 404 E HN 0.540 nan 8.360 nan 0.000 0.497 405 Y N 0.996 120.882 120.300 -0.689 0.000 2.300 405 Y HA 0.032 4.582 4.550 0.001 0.000 0.328 405 Y C 1.046 176.719 175.900 -0.377 0.000 1.270 405 Y CA -0.833 56.794 58.100 -0.789 0.000 1.352 405 Y CB 0.487 38.206 38.460 -1.234 0.000 1.286 405 Y HN -0.001 nan 8.280 nan 0.000 0.536 406 W N 0.656 121.456 121.300 -0.835 0.000 2.905 406 W HA 0.290 4.950 4.660 0.000 0.000 0.251 406 W C -0.481 175.838 176.519 -0.333 0.000 1.305 406 W CA -0.246 56.782 57.345 -0.529 0.000 1.465 406 W CB -0.365 28.774 29.460 -0.535 0.000 1.122 406 W HN 0.339 nan 8.180 nan 0.000 0.659 407 Q N 0.840 120.395 119.800 -0.408 0.000 2.257 407 Q HA 0.558 4.898 4.340 0.001 0.000 0.262 407 Q C -0.401 175.685 176.000 0.142 0.000 0.997 407 Q CA -0.618 55.186 55.803 0.001 0.000 0.873 407 Q CB 1.847 30.632 28.738 0.078 0.000 1.312 407 Q HN 0.088 nan 8.270 nan 0.000 0.450 408 A N 2.128 125.041 122.820 0.154 0.000 3.004 408 A HA 0.222 4.543 4.320 0.001 0.000 0.286 408 A C -0.200 177.523 177.584 0.231 0.000 1.632 408 A CA -0.251 51.903 52.037 0.194 0.000 1.339 408 A CB -0.421 18.669 19.000 0.150 0.000 1.136 408 A HN 0.550 nan 8.150 nan 0.000 0.577 409 T N 1.878 116.596 114.554 0.275 0.000 2.869 409 T HA 0.356 4.707 4.350 0.001 0.000 0.295 409 T C -0.761 174.197 174.700 0.430 0.000 0.987 409 T CA 0.432 62.718 62.100 0.310 0.000 1.109 409 T CB 0.362 69.430 68.868 0.334 0.000 0.932 409 T HN 0.654 nan 8.240 nan 0.000 0.518 410 W N 4.049 125.435 121.300 0.143 0.000 2.915 410 W HA 0.697 5.358 4.660 0.000 0.000 0.337 410 W C -1.881 174.589 176.519 -0.082 0.000 1.102 410 W CA -1.228 56.159 57.345 0.069 0.000 1.224 410 W CB 0.981 30.439 29.460 -0.002 0.000 1.416 410 W HN 0.455 nan 8.180 nan 0.000 0.503 411 I N 7.028 126.838 120.570 -1.267 0.000 2.499 411 I HA 0.256 4.426 4.170 0.001 0.000 0.288 411 I C -1.818 173.215 176.117 -1.807 0.000 1.048 411 I CA -2.083 58.342 61.300 -1.459 0.000 1.062 411 I CB 2.130 39.190 38.000 -1.567 0.000 1.238 411 I HN 0.165 nan 8.210 nan 0.000 0.426 412 P HA -0.085 nan 4.420 nan 0.000 0.278 412 P C -0.380 176.756 177.300 -0.273 0.000 1.268 412 P CA -0.256 62.324 63.100 -0.867 0.000 0.813 412 P CB 0.367 31.869 31.700 -0.330 0.000 1.180 413 E N 0.677 120.894 120.200 0.029 0.000 2.493 413 E HA 0.026 4.377 4.350 0.001 0.000 0.255 413 E C -0.917 175.826 176.600 0.238 0.000 0.999 413 E CA -0.035 56.451 56.400 0.143 0.000 0.934 413 E CB 0.049 29.818 29.700 0.115 0.000 0.940 413 E HN 0.304 nan 8.360 nan 0.000 0.473 414 W N 3.608 124.864 121.300 -0.074 0.000 3.167 414 W HA 0.468 5.129 4.660 0.000 0.000 0.324 414 W C -1.382 175.124 176.519 -0.022 0.000 1.230 414 W CA -0.995 56.321 57.345 -0.048 0.000 1.184 414 W CB 0.250 29.600 29.460 -0.184 0.000 1.414 414 W HN 0.445 nan 8.180 nan 0.000 0.551 415 E N 1.435 121.454 120.200 -0.302 0.000 2.334 415 E HA 0.633 4.983 4.350 0.001 0.000 0.256 415 E C -1.567 174.780 176.600 -0.421 0.000 0.958 415 E CA -1.005 55.126 56.400 -0.448 0.000 0.821 415 E CB 2.437 32.029 29.700 -0.180 0.000 1.269 415 E HN 0.205 nan 8.360 nan 0.000 0.413 416 F N 0.836 120.512 119.950 -0.456 0.000 2.432 416 F HA 0.546 5.073 4.527 0.001 0.000 0.329 416 F C -0.928 174.817 175.800 -0.092 0.000 1.076 416 F CA -1.248 56.592 58.000 -0.267 0.000 1.018 416 F CB 1.552 40.407 39.000 -0.242 0.000 1.201 416 F HN 0.131 nan 8.300 nan 0.000 0.489 417 V N 6.018 125.359 119.914 -0.956 0.000 2.439 417 V HA 0.299 4.419 4.120 0.001 0.000 0.277 417 V C -1.021 174.437 176.094 -1.061 0.000 1.008 417 V CA -0.672 61.182 62.300 -0.744 0.000 0.846 417 V CB 0.763 32.414 31.823 -0.286 0.000 1.031 417 V HN 0.807 nan 8.190 nan 0.000 0.441 418 N N 4.126 122.219 118.700 -1.011 0.000 2.410 418 N HA 0.142 4.883 4.740 0.001 0.000 0.281 418 N C -0.272 175.090 175.510 -0.247 0.000 1.241 418 N CA 0.891 53.609 53.050 -0.555 0.000 0.998 418 N CB 0.296 38.676 38.487 -0.177 0.000 1.376 418 N HN 0.718 nan 8.380 nan 0.000 0.490 419 T N 4.897 119.341 114.554 -0.183 0.000 3.160 419 T HA 0.289 4.639 4.350 0.001 0.000 0.344 419 T C -2.870 171.810 174.700 -0.034 0.000 0.981 419 T CA -1.476 60.571 62.100 -0.088 0.000 1.170 419 T CB 0.432 69.244 68.868 -0.093 0.000 1.016 419 T HN 0.291 nan 8.240 nan 0.000 0.492 420 P HA 0.197 nan 4.420 nan 0.000 0.269 420 P C -2.656 174.633 177.300 -0.018 0.000 1.205 420 P CA -0.876 62.230 63.100 0.010 0.000 0.780 420 P CB -0.367 31.348 31.700 0.024 0.000 0.858 421 P HA 0.228 nan 4.420 nan 0.000 0.277 421 P C 0.314 177.593 177.300 -0.035 0.000 1.354 421 P CA -0.018 63.065 63.100 -0.029 0.000 0.891 421 P CB 0.088 31.747 31.700 -0.068 0.000 1.058 422 L N 2.361 123.604 121.223 0.033 0.000 2.473 422 L HA 0.075 4.415 4.340 0.001 0.000 0.280 422 L C 0.679 177.538 176.870 -0.018 0.000 1.266 422 L CA 0.263 55.148 54.840 0.075 0.000 0.824 422 L CB 0.200 42.363 42.059 0.174 0.000 1.091 422 L HN 0.101 nan 8.230 nan 0.000 0.534 423 V N 2.224 122.139 119.914 0.002 0.000 2.378 423 V HA 0.410 4.531 4.120 0.001 0.000 0.288 423 V C -0.380 175.656 176.094 -0.096 0.000 1.016 423 V CA -0.388 61.839 62.300 -0.121 0.000 0.840 423 V CB 1.496 33.283 31.823 -0.060 0.000 0.994 423 V HN 0.815 nan 8.190 nan 0.000 0.431 424 K N 5.812 126.075 120.400 -0.228 0.000 2.502 424 K HA 0.607 4.927 4.320 0.001 0.000 0.257 424 K C -1.349 175.133 176.600 -0.198 0.000 0.938 424 K CA -1.019 55.205 56.287 -0.105 0.000 0.819 424 K CB 2.064 34.602 32.500 0.063 0.000 1.333 424 K HN 0.451 nan 8.250 nan 0.000 0.434 425 L N 2.450 123.646 121.223 -0.046 0.000 2.584 425 L HA 0.034 4.374 4.340 0.001 0.000 0.272 425 L C 0.762 177.716 176.870 0.141 0.000 1.195 425 L CA -0.240 54.581 54.840 -0.032 0.000 0.920 425 L CB 0.028 42.140 42.059 0.088 0.000 1.173 425 L HN 0.703 nan 8.230 nan 0.000 0.489 426 W N 4.115 125.290 121.300 -0.210 0.000 2.632 426 W HA -0.065 4.596 4.660 0.000 0.000 0.248 426 W C 0.270 176.741 176.519 -0.080 0.000 1.259 426 W CA -0.264 56.971 57.345 -0.183 0.000 1.288 426 W CB 0.098 29.416 29.460 -0.236 0.000 1.136 426 W HN 0.626 nan 8.180 nan 0.000 0.640 427 Y N -4.343 116.139 120.300 0.304 0.000 2.841 427 Y HA 0.268 4.818 4.550 0.000 0.000 0.373 427 Y C -0.788 175.206 175.900 0.157 0.000 1.170 427 Y CA -1.773 56.437 58.100 0.184 0.000 1.196 427 Y CB 0.005 38.547 38.460 0.138 0.000 1.433 427 Y HN -0.387 nan 8.280 nan 0.000 0.479 428 Q N 1.209 121.282 119.800 0.454 0.000 2.699 428 Q HA 0.679 5.019 4.340 0.001 0.000 0.240 428 Q C -1.433 174.706 176.000 0.232 0.000 1.033 428 Q CA -1.073 54.917 55.803 0.311 0.000 0.938 428 Q CB 2.500 31.349 28.738 0.186 0.000 1.312 428 Q HN 0.768 nan 8.270 nan 0.000 0.507 429 L N 1.830 123.145 121.223 0.155 0.000 2.541 429 L HA 0.236 4.576 4.340 0.001 0.000 0.266 429 L C -0.532 176.402 176.870 0.108 0.000 0.966 429 L CA -0.592 54.303 54.840 0.091 0.000 0.871 429 L CB 1.891 43.989 42.059 0.065 0.000 1.232 429 L HN 0.461 nan 8.230 nan 0.000 0.408 430 E N 3.493 123.771 120.200 0.129 0.000 2.652 430 E HA -0.075 4.275 4.350 0.001 0.000 0.255 430 E C 0.124 176.904 176.600 0.301 0.000 0.952 430 E CA 0.304 56.809 56.400 0.175 0.000 0.947 430 E CB 0.863 30.671 29.700 0.179 0.000 0.912 430 E HN 0.305 nan 8.360 nan 0.000 0.489 431 K N 2.184 122.707 120.400 0.205 0.000 2.437 431 K HA 0.080 4.400 4.320 0.001 0.000 0.205 431 K C -0.109 176.590 176.600 0.164 0.000 1.026 431 K CA -0.078 56.356 56.287 0.245 0.000 1.153 431 K CB 0.294 32.863 32.500 0.115 0.000 0.863 431 K HN 0.383 nan 8.250 nan 0.000 0.502 432 E N 0.608 120.801 120.200 -0.012 0.000 2.313 432 E HA 0.278 4.629 4.350 0.001 0.000 0.280 432 E C -2.933 173.363 176.600 -0.506 0.000 0.898 432 E CA -2.344 53.890 56.400 -0.276 0.000 0.803 432 E CB 1.354 30.983 29.700 -0.120 0.000 1.286 432 E HN -0.228 nan 8.360 nan 0.000 0.401 433 P HA -0.063 nan 4.420 nan 0.000 0.264 433 P C -0.442 176.707 177.300 -0.252 0.000 1.156 433 P CA 0.749 63.452 63.100 -0.662 0.000 0.756 433 P CB 0.284 31.702 31.700 -0.471 0.000 0.764 434 I N 3.287 123.787 120.570 -0.116 0.000 2.308 434 I HA 0.061 4.231 4.170 0.001 0.000 0.293 434 I C 0.390 176.491 176.117 -0.026 0.000 1.078 434 I CA -0.789 60.487 61.300 -0.040 0.000 1.292 434 I CB 0.395 38.402 38.000 0.012 0.000 1.423 434 I HN 0.053 nan 8.210 nan 0.000 0.493 435 V N 5.584 125.479 119.914 -0.033 0.000 2.901 435 V HA 0.069 4.189 4.120 0.001 0.000 0.307 435 V C 1.357 177.448 176.094 -0.005 0.000 1.084 435 V CA 0.424 62.712 62.300 -0.021 0.000 1.184 435 V CB 0.485 32.294 31.823 -0.023 0.000 0.941 435 V HN 1.112 nan 8.190 nan 0.000 0.493 436 G N 3.035 111.834 108.800 -0.001 0.000 2.370 436 G HA2 0.164 4.124 3.960 0.001 0.000 0.293 436 G HA3 0.164 4.124 3.960 0.001 0.000 0.293 436 G C -0.000 174.909 174.900 0.016 0.000 0.992 436 G CA 0.267 45.370 45.100 0.005 0.000 1.247 436 G HN 1.940 nan 8.290 nan 0.000 0.505 437 A N 0.454 123.290 122.820 0.026 0.000 2.466 437 A HA 0.705 5.025 4.320 0.001 0.000 0.284 437 A C 0.034 177.661 177.584 0.072 0.000 1.049 437 A CA 0.086 52.154 52.037 0.051 0.000 0.760 437 A CB 0.932 19.964 19.000 0.053 0.000 1.274 437 A HN 0.881 nan 8.150 nan 0.000 0.412 438 E N 2.080 122.329 120.200 0.082 0.000 2.752 438 E HA 0.027 4.378 4.350 0.001 0.000 0.241 438 E C -0.376 176.297 176.600 0.121 0.000 1.016 438 E CA 0.567 56.989 56.400 0.038 0.000 0.952 438 E CB 0.183 29.882 29.700 -0.000 0.000 0.921 438 E HN 0.500 nan 8.360 nan 0.000 0.515 439 T N 6.483 121.077 114.554 0.067 0.000 2.855 439 T HA 0.134 4.484 4.350 0.001 0.000 0.290 439 T C -0.408 174.413 174.700 0.201 0.000 0.941 439 T CA -0.187 62.016 62.100 0.171 0.000 1.030 439 T CB -0.404 68.581 68.868 0.195 0.000 0.935 439 T HN 0.215 nan 8.240 nan 0.000 0.564 440 F N 2.113 122.100 119.950 0.062 0.000 2.410 440 F HA 0.381 4.908 4.527 0.000 0.000 0.334 440 F C 0.264 176.140 175.800 0.127 0.000 1.134 440 F CA -0.966 57.086 58.000 0.087 0.000 1.227 440 F CB 0.511 39.449 39.000 -0.103 0.000 1.194 440 F HN 0.409 nan 8.300 nan 0.000 0.571 441 Y N 1.721 122.165 120.300 0.240 0.000 2.376 441 Y HA 0.495 5.045 4.550 0.000 0.000 0.326 441 Y C -0.288 175.747 175.900 0.224 0.000 0.970 441 Y CA -0.857 57.348 58.100 0.175 0.000 1.248 441 Y CB 1.563 40.086 38.460 0.104 0.000 1.117 441 Y HN 0.355 nan 8.280 nan 0.000 0.476 442 V N 3.694 123.754 119.914 0.244 0.000 2.630 442 V HA 0.804 4.925 4.120 0.001 0.000 0.305 442 V C -1.005 175.197 176.094 0.179 0.000 1.046 442 V CA -0.040 62.406 62.300 0.244 0.000 0.934 442 V CB 1.963 33.909 31.823 0.204 0.000 1.003 442 V HN 0.870 nan 8.190 nan 0.000 0.451 443 D N 1.995 122.496 120.400 0.168 0.000 2.913 443 D HA 0.640 5.280 4.640 0.001 0.000 0.293 443 D C -0.547 175.821 176.300 0.113 0.000 1.238 443 D CA 0.601 54.683 54.000 0.137 0.000 0.738 443 D CB 1.184 42.067 40.800 0.139 0.000 1.254 443 D HN 1.057 nan 8.370 nan 0.000 0.429 444 G N -0.889 107.971 108.800 0.100 0.000 2.490 444 G HA2 0.953 4.913 3.960 0.001 0.000 0.308 444 G HA3 0.953 4.913 3.960 0.001 0.000 0.308 444 G C -1.509 173.433 174.900 0.071 0.000 1.286 444 G CA 0.305 45.453 45.100 0.079 0.000 0.825 444 G HN 1.311 nan 8.290 nan 0.000 0.479 445 A N -2.232 120.621 122.820 0.054 0.000 2.452 445 A HA 1.044 5.364 4.320 0.001 0.000 0.294 445 A C -0.688 176.915 177.584 0.031 0.000 1.010 445 A CA 0.467 52.529 52.037 0.041 0.000 0.613 445 A CB 0.517 19.546 19.000 0.048 0.000 1.363 445 A HN 2.656 nan 8.150 nan 0.000 0.463 446 A N -0.178 122.655 122.820 0.021 0.000 2.588 446 A HA 0.834 5.154 4.320 0.001 0.000 0.290 446 A C -0.919 176.672 177.584 0.011 0.000 1.136 446 A CA -0.148 51.899 52.037 0.016 0.000 0.681 446 A CB 1.112 20.119 19.000 0.013 0.000 1.282 446 A HN 1.603 nan 8.150 nan 0.000 0.421 447 N N -0.551 118.155 118.700 0.010 0.000 2.443 447 N HA 0.413 5.153 4.740 0.001 0.000 0.295 447 N C 1.070 176.581 175.510 0.003 0.000 1.076 447 N CA -0.605 52.449 53.050 0.007 0.000 0.919 447 N CB 1.121 39.614 38.487 0.009 0.000 1.176 447 N HN 0.586 nan 8.380 nan 0.000 0.487 448 R N 1.622 122.122 120.500 0.000 0.000 2.171 448 R HA -0.217 4.123 4.340 0.001 0.000 0.232 448 R C 0.871 177.171 176.300 -0.001 0.000 1.116 448 R CA 2.379 58.478 56.100 -0.002 0.000 0.901 448 R CB -0.298 30.000 30.300 -0.003 0.000 0.850 448 R HN 0.742 nan 8.270 nan 0.000 0.431 449 E N -0.024 120.177 120.200 0.001 0.000 2.230 449 E HA -0.039 4.312 4.350 0.001 0.000 0.192 449 E C 0.822 177.424 176.600 0.004 0.000 0.987 449 E CA 0.852 57.254 56.400 0.002 0.000 0.841 449 E CB -0.005 29.697 29.700 0.003 0.000 0.783 449 E HN 0.446 nan 8.360 nan 0.000 0.481 450 T N -0.856 113.700 114.554 0.005 0.000 2.849 450 T HA 0.153 4.503 4.350 0.001 0.000 0.284 450 T C 1.036 175.740 174.700 0.007 0.000 1.004 450 T CA -0.859 61.244 62.100 0.006 0.000 1.021 450 T CB 1.553 70.426 68.868 0.007 0.000 1.013 450 T HN -0.278 nan 8.240 nan 0.000 0.527 451 K N 0.379 120.783 120.400 0.008 0.000 1.965 451 K HA 0.046 4.366 4.320 0.001 0.000 0.218 451 K C 1.168 177.775 176.600 0.010 0.000 1.048 451 K CA 1.135 57.427 56.287 0.009 0.000 0.960 451 K CB -0.921 31.585 32.500 0.010 0.000 0.732 451 K HN 0.473 nan 8.250 nan 0.000 0.444 452 L N -1.427 119.803 121.223 0.012 0.000 2.744 452 L HA 0.398 4.738 4.340 0.001 0.000 0.218 452 L C 1.103 177.982 176.870 0.015 0.000 1.190 452 L CA 0.422 55.271 54.840 0.014 0.000 0.869 452 L CB 0.273 42.341 42.059 0.015 0.000 1.652 452 L HN 0.478 nan 8.230 nan 0.000 0.519 453 G N -1.531 107.280 108.800 0.018 0.000 2.428 453 G HA2 0.609 4.569 3.960 0.001 0.000 0.305 453 G HA3 0.609 4.569 3.960 0.001 0.000 0.305 453 G C -1.914 173.001 174.900 0.024 0.000 1.260 453 G CA -0.285 44.828 45.100 0.021 0.000 0.853 453 G HN 0.680 nan 8.290 nan 0.000 0.480 454 K N -2.066 118.351 120.400 0.029 0.000 2.680 454 K HA 0.802 5.122 4.320 0.001 0.000 0.295 454 K C -1.140 175.484 176.600 0.040 0.000 1.052 454 K CA -0.555 55.750 56.287 0.031 0.000 0.863 454 K CB 1.411 33.923 32.500 0.020 0.000 1.549 454 K HN 2.051 nan 8.250 nan 0.000 0.391 455 A N -0.267 122.575 122.820 0.038 0.000 2.605 455 A HA 0.886 5.207 4.320 0.001 0.000 0.294 455 A C -0.983 176.616 177.584 0.025 0.000 1.062 455 A CA -0.148 51.920 52.037 0.051 0.000 0.682 455 A CB 1.731 20.777 19.000 0.078 0.000 1.278 455 A HN 1.243 nan 8.150 nan 0.000 0.410 456 G N -0.874 107.947 108.800 0.034 0.000 2.548 456 G HA2 0.742 4.702 3.960 0.001 0.000 0.301 456 G HA3 0.742 4.702 3.960 0.001 0.000 0.301 456 G C -1.389 173.554 174.900 0.073 0.000 1.349 456 G CA 0.246 45.317 45.100 -0.050 0.000 0.792 456 G HN 2.018 nan 8.290 nan 0.000 0.481 457 Y N -1.812 118.574 120.300 0.142 0.000 2.705 457 Y HA 0.859 5.410 4.550 0.001 0.000 0.332 457 Y C -0.501 175.494 175.900 0.160 0.000 1.157 457 Y CA -1.694 56.528 58.100 0.203 0.000 1.091 457 Y CB 1.557 40.220 38.460 0.339 0.000 1.301 457 Y HN 1.258 nan 8.280 nan 0.000 0.488 458 V N -1.175 119.054 119.914 0.525 0.000 2.817 458 V HA 0.740 4.860 4.120 0.001 0.000 0.303 458 V C -0.487 175.666 176.094 0.098 0.000 1.151 458 V CA -0.226 62.228 62.300 0.257 0.000 0.929 458 V CB 0.907 32.800 31.823 0.116 0.000 1.030 458 V HN 1.354 nan 8.190 nan 0.000 0.427 459 T N 0.539 115.014 114.554 -0.131 0.000 2.927 459 T HA 0.391 4.741 4.350 0.001 0.000 0.281 459 T C 0.955 175.563 174.700 -0.153 0.000 0.998 459 T CA 0.018 61.917 62.100 -0.335 0.000 1.019 459 T CB 1.437 69.963 68.868 -0.571 0.000 1.061 459 T HN 1.036 nan 8.240 nan 0.000 0.518 460 N N 0.836 119.469 118.700 -0.111 0.000 2.463 460 N HA -0.094 4.647 4.740 0.001 0.000 0.181 460 N C 1.062 176.523 175.510 -0.082 0.000 1.078 460 N CA 0.300 53.306 53.050 -0.074 0.000 0.902 460 N CB -0.167 38.317 38.487 -0.005 0.000 0.970 460 N HN 0.897 nan 8.380 nan 0.000 0.451 461 K N -0.202 120.134 120.400 -0.106 0.000 2.397 461 K HA 0.275 4.595 4.320 0.001 0.000 0.202 461 K C 0.251 176.803 176.600 -0.081 0.000 1.022 461 K CA 0.110 56.347 56.287 -0.082 0.000 1.141 461 K CB -0.065 32.389 32.500 -0.077 0.000 0.857 461 K HN 0.040 nan 8.250 nan 0.000 0.514 462 G N 1.510 110.255 108.800 -0.092 0.000 3.316 462 G HA2 -0.244 3.716 3.960 0.001 0.000 0.445 462 G HA3 -0.244 3.716 3.960 0.001 0.000 0.445 462 G C -1.103 173.760 174.900 -0.061 0.000 1.002 462 G CA -0.098 44.961 45.100 -0.069 0.000 0.818 462 G HN 0.492 nan 8.290 nan 0.000 0.404 463 R N 1.313 121.785 120.500 -0.046 0.000 2.764 463 R HA 0.527 4.867 4.340 0.001 0.000 0.250 463 R C -1.207 175.135 176.300 0.070 0.000 1.122 463 R CA -0.683 55.421 56.100 0.007 0.000 1.022 463 R CB 1.175 31.464 30.300 -0.019 0.000 1.266 463 R HN 0.742 nan 8.270 nan 0.000 0.454 464 Q N 3.664 123.501 119.800 0.061 0.000 2.356 464 Q HA 0.525 4.865 4.340 0.001 0.000 0.270 464 Q C -1.798 174.154 176.000 -0.079 0.000 1.058 464 Q CA -0.747 55.062 55.803 0.009 0.000 0.802 464 Q CB 2.181 30.910 28.738 -0.015 0.000 1.303 464 Q HN 0.583 nan 8.270 nan 0.000 0.444 465 K N 1.992 122.221 120.400 -0.286 0.000 2.568 465 K HA 0.673 4.993 4.320 0.001 0.000 0.273 465 K C -1.931 174.433 176.600 -0.393 0.000 0.951 465 K CA -0.673 55.370 56.287 -0.407 0.000 0.854 465 K CB 2.138 34.232 32.500 -0.677 0.000 1.424 465 K HN 0.467 nan 8.250 nan 0.000 0.427 466 V N -1.044 118.731 119.914 -0.231 0.000 3.036 466 V HA 0.619 4.740 4.120 0.001 0.000 0.288 466 V C -1.556 174.494 176.094 -0.074 0.000 1.407 466 V CA -0.964 61.254 62.300 -0.136 0.000 0.983 466 V CB 1.437 33.212 31.823 -0.081 0.000 1.128 466 V HN 0.430 nan 8.190 nan 0.000 0.439 467 V N 3.056 122.948 119.914 -0.036 0.000 2.735 467 V HA 0.637 4.758 4.120 0.001 0.000 0.310 467 V C -2.438 173.662 176.094 0.011 0.000 1.061 467 V CA -1.674 60.623 62.300 -0.005 0.000 0.913 467 V CB 2.815 34.647 31.823 0.015 0.000 1.005 467 V HN 0.926 nan 8.190 nan 0.000 0.428 468 P HA 0.248 nan 4.420 nan 0.000 0.268 468 P C -0.620 176.696 177.300 0.026 0.000 1.541 468 P CA 0.011 63.121 63.100 0.017 0.000 1.093 468 P CB 0.204 31.912 31.700 0.013 0.000 1.551 469 L N 2.888 124.129 121.223 0.029 0.000 2.371 469 L HA 0.393 4.734 4.340 0.001 0.000 0.272 469 L C 0.752 177.638 176.870 0.027 0.000 1.124 469 L CA -0.033 54.828 54.840 0.034 0.000 0.816 469 L CB 0.285 42.368 42.059 0.040 0.000 1.129 469 L HN 0.193 nan 8.230 nan 0.000 0.448 470 T N 2.129 116.699 114.554 0.027 0.000 2.786 470 T HA 0.281 4.632 4.350 0.001 0.000 0.283 470 T C 0.360 175.072 174.700 0.020 0.000 0.992 470 T CA -0.411 61.702 62.100 0.022 0.000 0.954 470 T CB 0.858 69.739 68.868 0.021 0.000 0.934 470 T HN 0.733 nan 8.240 nan 0.000 0.440 471 N N 0.075 118.785 118.700 0.016 0.000 2.948 471 N HA -0.150 4.590 4.740 0.001 0.000 0.239 471 N C 0.450 175.968 175.510 0.013 0.000 0.954 471 N CA 1.311 54.370 53.050 0.014 0.000 0.941 471 N CB -1.095 37.401 38.487 0.014 0.000 1.101 471 N HN 0.680 nan 8.380 nan 0.000 0.579 472 T N 0.288 114.851 114.554 0.016 0.000 2.701 472 T HA 0.413 4.764 4.350 0.001 0.000 0.303 472 T C 0.803 175.506 174.700 0.005 0.000 1.030 472 T CA 0.997 63.107 62.100 0.016 0.000 1.010 472 T CB 0.914 69.797 68.868 0.025 0.000 1.007 472 T HN 0.417 nan 8.240 nan 0.000 0.532 473 T N 0.116 114.668 114.554 -0.004 0.000 2.864 473 T HA 0.388 4.738 4.350 0.001 0.000 0.289 473 T C 0.986 175.663 174.700 -0.037 0.000 1.082 473 T CA -0.880 61.205 62.100 -0.025 0.000 1.009 473 T CB 0.855 69.698 68.868 -0.041 0.000 1.234 473 T HN 0.451 nan 8.240 nan 0.000 0.526 474 N N 0.137 118.801 118.700 -0.059 0.000 2.247 474 N HA -0.140 4.600 4.740 0.001 0.000 0.189 474 N C 1.722 177.175 175.510 -0.096 0.000 1.009 474 N CA 1.752 54.762 53.050 -0.067 0.000 0.872 474 N CB -0.317 38.118 38.487 -0.088 0.000 0.980 474 N HN 0.578 nan 8.380 nan 0.000 0.436 475 Q N -0.280 119.417 119.800 -0.171 0.000 2.274 475 Q HA 0.216 4.556 4.340 0.001 0.000 0.198 475 Q C 1.340 177.343 176.000 0.005 0.000 0.955 475 Q CA 0.568 56.233 55.803 -0.230 0.000 0.859 475 Q CB 0.065 28.378 28.738 -0.709 0.000 0.956 475 Q HN 0.107 nan 8.270 nan 0.000 0.516 476 K N 0.672 121.076 120.400 0.007 0.000 2.520 476 K HA -0.148 4.172 4.320 0.001 0.000 0.197 476 K C 1.509 178.148 176.600 0.065 0.000 1.044 476 K CA 1.519 57.838 56.287 0.055 0.000 0.938 476 K CB -0.107 32.413 32.500 0.034 0.000 0.767 476 K HN 0.478 nan 8.250 nan 0.000 0.481 477 T N -2.299 112.291 114.554 0.060 0.000 3.115 477 T HA -0.066 4.284 4.350 0.001 0.000 0.235 477 T C 1.735 176.495 174.700 0.099 0.000 0.999 477 T CA 0.379 62.522 62.100 0.072 0.000 1.276 477 T CB -0.385 68.516 68.868 0.055 0.000 0.967 477 T HN 0.010 nan 8.240 nan 0.000 0.420 478 E N 1.540 121.803 120.200 0.105 0.000 2.200 478 E HA -0.188 4.162 4.350 0.001 0.000 0.211 478 E C 1.937 178.616 176.600 0.131 0.000 1.048 478 E CA 1.761 58.237 56.400 0.127 0.000 0.851 478 E CB -0.891 28.900 29.700 0.152 0.000 0.747 478 E HN 0.678 nan 8.360 nan 0.000 0.462 479 L N -0.676 120.633 121.223 0.144 0.000 2.034 479 L HA -0.105 4.235 4.340 0.001 0.000 0.203 479 L C 2.690 179.636 176.870 0.126 0.000 1.074 479 L CA 1.203 56.115 54.840 0.119 0.000 0.748 479 L CB -0.725 41.409 42.059 0.125 0.000 0.905 479 L HN 0.183 nan 8.230 nan 0.000 0.439 480 Q N 0.787 120.659 119.800 0.121 0.000 2.242 480 Q HA -0.263 4.077 4.340 0.001 0.000 0.211 480 Q C 1.944 178.073 176.000 0.216 0.000 0.992 480 Q CA 2.337 58.230 55.803 0.149 0.000 0.889 480 Q CB -0.242 28.566 28.738 0.116 0.000 0.913 480 Q HN 0.483 nan 8.270 nan 0.000 0.422 481 A N -0.117 122.804 122.820 0.168 0.000 1.874 481 A HA 0.007 4.328 4.320 0.001 0.000 0.214 481 A C 1.997 179.685 177.584 0.172 0.000 1.189 481 A CA 1.133 53.273 52.037 0.171 0.000 0.615 481 A CB -0.457 18.633 19.000 0.149 0.000 0.830 481 A HN 0.457 nan 8.150 nan 0.000 0.443 482 I N -0.849 119.802 120.570 0.135 0.000 3.083 482 I HA -0.183 3.988 4.170 0.001 0.000 0.273 482 I C 2.213 178.385 176.117 0.092 0.000 1.297 482 I CA 0.910 62.254 61.300 0.074 0.000 1.452 482 I CB -0.379 37.644 38.000 0.038 0.000 1.078 482 I HN 0.544 nan 8.210 nan 0.000 0.484 483 Y N 1.941 122.246 120.300 0.008 0.000 2.263 483 Y HA -0.104 4.446 4.550 0.001 0.000 0.292 483 Y C 2.051 177.949 175.900 -0.003 0.000 1.130 483 Y CA 1.413 59.513 58.100 0.001 0.000 1.179 483 Y CB -0.243 38.232 38.460 0.026 0.000 0.998 483 Y HN 0.047 nan 8.280 nan 0.000 0.532 484 L N -0.190 120.966 121.223 -0.112 0.000 2.209 484 L HA 0.076 4.416 4.340 0.001 0.000 0.207 484 L C 2.435 179.220 176.870 -0.141 0.000 1.094 484 L CA 0.766 55.501 54.840 -0.176 0.000 0.790 484 L CB -0.894 41.192 42.059 0.044 0.000 0.932 484 L HN 0.206 nan 8.230 nan 0.000 0.447 485 A N -0.218 122.497 122.820 -0.175 0.000 2.276 485 A HA 0.052 4.372 4.320 0.001 0.000 0.205 485 A C 1.872 179.083 177.584 -0.622 0.000 1.234 485 A CA 0.986 52.652 52.037 -0.618 0.000 0.797 485 A CB -0.480 18.202 19.000 -0.530 0.000 0.769 485 A HN 0.437 nan 8.150 nan 0.000 0.491 486 L N -2.272 118.737 121.223 -0.357 0.000 2.638 486 L HA -0.015 4.325 4.340 0.001 0.000 0.195 486 L C 2.677 179.422 176.870 -0.207 0.000 1.065 486 L CA 0.703 55.384 54.840 -0.265 0.000 0.859 486 L CB -0.592 41.372 42.059 -0.160 0.000 1.269 486 L HN 0.517 nan 8.230 nan 0.000 0.484 487 Q N 0.165 119.844 119.800 -0.202 0.000 2.119 487 Q HA -0.137 4.203 4.340 0.001 0.000 0.201 487 Q C 0.163 176.094 176.000 -0.115 0.000 0.972 487 Q CA 1.544 57.255 55.803 -0.154 0.000 0.847 487 Q CB -0.389 28.221 28.738 -0.213 0.000 0.903 487 Q HN 0.302 nan 8.270 nan 0.000 0.433 488 D N 1.523 121.846 120.400 -0.129 0.000 2.519 488 D HA 0.108 4.749 4.640 0.001 0.000 0.238 488 D C -0.682 175.568 176.300 -0.084 0.000 1.192 488 D CA 0.146 54.122 54.000 -0.041 0.000 0.835 488 D CB 0.347 41.199 40.800 0.086 0.000 0.975 488 D HN 0.323 nan 8.370 nan 0.000 0.490 489 S N -2.403 113.220 115.700 -0.128 0.000 2.588 489 S HA 0.765 5.235 4.470 0.001 0.000 0.269 489 S C 0.128 174.689 174.600 -0.064 0.000 1.157 489 S CA -0.998 57.141 58.200 -0.102 0.000 0.824 489 S CB 1.645 64.633 63.200 -0.355 0.000 1.126 489 S HN 0.034 nan 8.310 nan 0.000 0.464 490 G N -0.044 108.744 108.800 -0.019 0.000 2.671 490 G HA2 0.545 4.505 3.960 0.001 0.000 0.275 490 G HA3 0.545 4.505 3.960 0.001 0.000 0.275 490 G C 0.761 175.646 174.900 -0.025 0.000 1.368 490 G CA -1.120 43.969 45.100 -0.017 0.000 1.044 490 G HN 0.783 nan 8.290 nan 0.000 0.543 491 L N -0.749 120.465 121.223 -0.015 0.000 2.123 491 L HA -0.142 4.198 4.340 0.001 0.000 0.217 491 L C 0.957 177.821 176.870 -0.011 0.000 1.081 491 L CA 1.553 56.385 54.840 -0.013 0.000 0.772 491 L CB -0.284 41.772 42.059 -0.004 0.000 0.890 491 L HN 0.449 nan 8.230 nan 0.000 0.437 492 E N -0.751 119.448 120.200 -0.000 0.000 2.191 492 E HA 0.509 4.860 4.350 0.001 0.000 0.263 492 E C -1.003 175.610 176.600 0.022 0.000 0.881 492 E CA -0.365 56.041 56.400 0.010 0.000 0.757 492 E CB 2.294 32.005 29.700 0.018 0.000 1.147 492 E HN -0.105 nan 8.360 nan 0.000 0.414 493 V N 2.264 122.184 119.914 0.011 0.000 3.156 493 V HA 0.520 4.641 4.120 0.001 0.000 0.311 493 V C -0.389 175.742 176.094 0.062 0.000 1.208 493 V CA -1.034 61.278 62.300 0.021 0.000 1.063 493 V CB 2.400 34.149 31.823 -0.124 0.000 1.098 493 V HN 0.642 nan 8.190 nan 0.000 0.452 494 N N 1.337 120.100 118.700 0.106 0.000 2.793 494 N HA 0.456 5.197 4.740 0.001 0.000 0.251 494 N C -1.473 174.109 175.510 0.119 0.000 1.308 494 N CA -0.134 53.000 53.050 0.141 0.000 0.781 494 N CB 1.466 40.050 38.487 0.162 0.000 1.439 494 N HN 0.562 nan 8.380 nan 0.000 0.562 495 I N 0.790 121.369 120.570 0.015 0.000 2.566 495 I HA 0.533 4.703 4.170 0.001 0.000 0.303 495 I C 0.210 176.278 176.117 -0.083 0.000 0.983 495 I CA -0.961 60.319 61.300 -0.033 0.000 1.235 495 I CB 2.049 39.989 38.000 -0.100 0.000 1.386 495 I HN -0.035 nan 8.210 nan 0.000 0.494 496 V N 3.400 123.235 119.914 -0.132 0.000 3.078 496 V HA 0.710 4.831 4.120 0.001 0.000 0.311 496 V C -0.863 175.179 176.094 -0.086 0.000 1.138 496 V CA -0.017 62.181 62.300 -0.169 0.000 1.007 496 V CB 2.552 34.158 31.823 -0.361 0.000 1.045 496 V HN 0.885 nan 8.190 nan 0.000 0.432 497 T N 1.561 116.115 114.554 -0.000 0.000 2.853 497 T HA 0.411 4.762 4.350 0.001 0.000 0.311 497 T C -0.574 174.263 174.700 0.228 0.000 1.307 497 T CA 0.238 62.399 62.100 0.103 0.000 1.019 497 T CB 1.743 70.685 68.868 0.123 0.000 1.264 497 T HN 0.970 nan 8.240 nan 0.000 0.497 498 D N 0.868 121.410 120.400 0.236 0.000 2.369 498 D HA 0.222 4.862 4.640 0.001 0.000 0.211 498 D C 0.761 177.395 176.300 0.557 0.000 1.077 498 D CA -0.060 54.106 54.000 0.277 0.000 0.842 498 D CB 0.284 41.173 40.800 0.149 0.000 0.947 498 D HN 0.256 nan 8.370 nan 0.000 0.509 499 S N -0.605 115.321 115.700 0.377 0.000 2.687 499 S HA 0.314 4.784 4.470 0.001 0.000 0.283 499 S C 0.561 175.173 174.600 0.019 0.000 1.170 499 S CA -0.421 57.905 58.200 0.210 0.000 1.008 499 S CB 1.763 65.058 63.200 0.159 0.000 1.026 499 S HN 0.099 nan 8.310 nan 0.000 0.541 500 Q N 0.409 120.136 119.800 -0.122 0.000 2.322 500 Q HA 0.083 4.423 4.340 0.001 0.000 0.250 500 Q C 0.943 176.851 176.000 -0.153 0.000 0.853 500 Q CA -0.028 55.579 55.803 -0.326 0.000 0.951 500 Q CB 0.005 28.429 28.738 -0.523 0.000 1.114 500 Q HN 0.885 nan 8.270 nan 0.000 0.523 501 Y N 1.708 121.927 120.300 -0.133 0.000 2.053 501 Y HA -0.297 4.254 4.550 0.001 0.000 0.277 501 Y C 2.103 177.957 175.900 -0.076 0.000 1.159 501 Y CA 2.166 60.218 58.100 -0.081 0.000 1.125 501 Y CB -0.337 38.101 38.460 -0.037 0.000 0.969 501 Y HN 0.072 nan 8.280 nan 0.000 0.492 502 A N -0.369 122.394 122.820 -0.093 0.000 2.119 502 A HA -0.062 4.259 4.320 0.001 0.000 0.217 502 A C 2.108 179.587 177.584 -0.176 0.000 1.153 502 A CA 1.287 53.211 52.037 -0.189 0.000 0.692 502 A CB -1.025 17.980 19.000 0.009 0.000 0.799 502 A HN 0.599 nan 8.150 nan 0.000 0.458 503 L N -0.280 120.846 121.223 -0.163 0.000 2.044 503 L HA 0.092 4.432 4.340 0.001 0.000 0.205 503 L C 2.280 179.035 176.870 -0.192 0.000 1.075 503 L CA 2.334 57.068 54.840 -0.177 0.000 0.747 503 L CB -0.928 40.989 42.059 -0.237 0.000 0.903 503 L HN 0.234 nan 8.230 nan 0.000 0.435 504 G N -0.343 108.314 108.800 -0.238 0.000 2.403 504 G HA2 -0.161 3.799 3.960 0.001 0.000 0.216 504 G HA3 -0.161 3.799 3.960 0.001 0.000 0.216 504 G C 1.637 176.522 174.900 -0.026 0.000 1.154 504 G CA 0.873 45.853 45.100 -0.199 0.000 0.784 504 G HN 0.434 nan 8.290 nan 0.000 0.538 505 I N 0.792 121.265 120.570 -0.162 0.000 2.118 505 I HA -0.173 3.997 4.170 0.001 0.000 0.241 505 I C 2.276 178.370 176.117 -0.038 0.000 1.070 505 I CA 1.267 62.455 61.300 -0.187 0.000 1.327 505 I CB -0.129 37.583 38.000 -0.479 0.000 1.034 505 I HN 0.136 nan 8.210 nan 0.000 0.405 506 I N 0.147 120.690 120.570 -0.045 0.000 3.684 506 I HA -0.119 4.051 4.170 0.001 0.000 0.304 506 I C 1.978 178.159 176.117 0.106 0.000 1.278 506 I CA 0.231 61.555 61.300 0.041 0.000 1.272 506 I CB -0.162 37.825 38.000 -0.021 0.000 1.029 506 I HN 0.267 nan 8.210 nan 0.000 0.458 507 Q N 1.618 121.496 119.800 0.129 0.000 2.408 507 Q HA 0.127 4.467 4.340 0.001 0.000 0.205 507 Q C 1.699 177.938 176.000 0.398 0.000 0.919 507 Q CA 0.822 56.749 55.803 0.206 0.000 0.932 507 Q CB 0.220 29.015 28.738 0.094 0.000 1.058 507 Q HN 0.418 nan 8.270 nan 0.000 0.517 508 A N -0.264 122.796 122.820 0.399 0.000 2.308 508 A HA 0.130 4.451 4.320 0.001 0.000 0.217 508 A C 0.130 177.944 177.584 0.385 0.000 1.216 508 A CA 0.304 52.575 52.037 0.390 0.000 0.864 508 A CB -0.116 19.141 19.000 0.429 0.000 0.902 508 A HN 0.450 nan 8.150 nan 0.000 0.499 509 Q N -1.935 118.072 119.800 0.344 0.000 2.461 509 Q HA -0.160 4.181 4.340 0.001 0.000 0.264 509 Q C -2.104 173.995 176.000 0.165 0.000 1.085 509 Q CA 0.475 56.487 55.803 0.349 0.000 1.006 509 Q CB -2.406 26.506 28.738 0.289 0.000 1.437 509 Q HN 0.475 nan 8.270 nan 0.000 0.514 510 P HA -0.086 nan 4.420 nan 0.000 0.266 510 P C -0.071 177.280 177.300 0.085 0.000 1.193 510 P CA 0.869 64.042 63.100 0.122 0.000 0.770 510 P CB 0.390 32.188 31.700 0.163 0.000 0.836 511 D N 0.121 120.532 120.400 0.018 0.000 2.503 511 D HA 0.159 4.799 4.640 0.001 0.000 0.218 511 D C -0.335 176.017 176.300 0.088 0.000 1.183 511 D CA -0.088 53.949 54.000 0.061 0.000 0.827 511 D CB 0.145 40.931 40.800 -0.024 0.000 1.034 511 D HN 0.204 nan 8.370 nan 0.000 0.510 512 K N 0.067 120.510 120.400 0.073 0.000 2.588 512 K HA 0.578 4.899 4.320 0.001 0.000 0.250 512 K C -1.593 175.067 176.600 0.100 0.000 0.972 512 K CA -0.594 55.735 56.287 0.070 0.000 0.821 512 K CB 2.479 34.993 32.500 0.022 0.000 1.249 512 K HN -0.009 nan 8.250 nan 0.000 0.442 513 S N 1.113 116.880 115.700 0.112 0.000 2.618 513 S HA 0.236 4.706 4.470 0.001 0.000 0.277 513 S C 0.198 174.842 174.600 0.074 0.000 1.138 513 S CA -0.637 57.647 58.200 0.140 0.000 0.844 513 S CB 1.382 64.764 63.200 0.303 0.000 1.127 513 S HN 0.637 nan 8.310 nan 0.000 0.474 514 E N 0.938 121.156 120.200 0.030 0.000 2.216 514 E HA 0.012 4.362 4.350 0.001 0.000 0.192 514 E C 0.334 176.958 176.600 0.040 0.000 0.988 514 E CA 0.391 56.800 56.400 0.016 0.000 0.834 514 E CB 0.037 29.726 29.700 -0.019 0.000 0.772 514 E HN 0.373 nan 8.360 nan 0.000 0.479 515 S N 1.399 117.146 115.700 0.079 0.000 2.411 515 S HA 0.009 4.480 4.470 0.001 0.000 0.304 515 S C 0.923 175.554 174.600 0.051 0.000 1.098 515 S CA -0.420 57.827 58.200 0.079 0.000 1.068 515 S CB 0.829 64.107 63.200 0.130 0.000 1.032 515 S HN 0.275 nan 8.310 nan 0.000 0.511 516 E N 4.361 124.574 120.200 0.022 0.000 2.164 516 E HA -0.261 4.089 4.350 0.001 0.000 0.206 516 E C 1.653 178.225 176.600 -0.047 0.000 1.032 516 E CA 1.895 58.292 56.400 -0.003 0.000 0.832 516 E CB -0.245 29.448 29.700 -0.010 0.000 0.742 516 E HN 0.874 nan 8.360 nan 0.000 0.460 517 L N 0.330 121.511 121.223 -0.071 0.000 1.990 517 L HA -0.228 4.112 4.340 0.001 0.000 0.213 517 L C 2.463 179.248 176.870 -0.142 0.000 1.072 517 L CA 1.755 56.492 54.840 -0.172 0.000 0.755 517 L CB -0.301 41.686 42.059 -0.119 0.000 0.889 517 L HN 0.151 nan 8.230 nan 0.000 0.432 518 V N 0.354 120.249 119.914 -0.030 0.000 2.282 518 V HA -0.351 3.769 4.120 0.001 0.000 0.249 518 V C 2.295 178.404 176.094 0.025 0.000 1.057 518 V CA 2.285 64.588 62.300 0.005 0.000 1.032 518 V CB -1.138 30.729 31.823 0.072 0.000 0.645 518 V HN 0.549 nan 8.190 nan 0.000 0.447 519 N N 0.072 118.795 118.700 0.038 0.000 2.205 519 N HA -0.215 4.525 4.740 0.001 0.000 0.186 519 N C 1.961 177.500 175.510 0.048 0.000 1.015 519 N CA 1.592 54.680 53.050 0.063 0.000 0.862 519 N CB -0.245 38.275 38.487 0.055 0.000 0.986 519 N HN 0.661 nan 8.380 nan 0.000 0.429 520 Q N 0.262 120.045 119.800 -0.028 0.000 2.167 520 Q HA 0.013 4.353 4.340 0.001 0.000 0.202 520 Q C 2.121 178.165 176.000 0.074 0.000 0.970 520 Q CA 0.740 56.521 55.803 -0.036 0.000 0.855 520 Q CB 0.059 28.604 28.738 -0.321 0.000 0.911 520 Q HN 0.436 nan 8.270 nan 0.000 0.438 521 I N 0.516 121.110 120.570 0.039 0.000 2.163 521 I HA -0.267 3.903 4.170 0.001 0.000 0.240 521 I C 2.185 178.358 176.117 0.093 0.000 1.081 521 I CA 1.065 62.428 61.300 0.105 0.000 1.353 521 I CB -0.361 37.670 38.000 0.052 0.000 1.054 521 I HN 0.166 nan 8.210 nan 0.000 0.407 522 I N 0.755 121.407 120.570 0.136 0.000 2.099 522 I HA -0.344 3.827 4.170 0.001 0.000 0.239 522 I C 2.657 178.912 176.117 0.229 0.000 1.066 522 I CA 1.811 63.276 61.300 0.276 0.000 1.324 522 I CB -0.832 37.366 38.000 0.331 0.000 1.037 522 I HN 0.328 nan 8.210 nan 0.000 0.401 523 E N 0.952 121.252 120.200 0.168 0.000 2.113 523 E HA -0.341 4.010 4.350 0.001 0.000 0.210 523 E C 2.231 178.880 176.600 0.082 0.000 1.040 523 E CA 1.996 58.465 56.400 0.115 0.000 0.847 523 E CB -0.050 29.708 29.700 0.097 0.000 0.755 523 E HN 0.492 nan 8.360 nan 0.000 0.459 524 Q N 0.113 119.963 119.800 0.083 0.000 2.049 524 Q HA -0.083 4.257 4.340 0.001 0.000 0.198 524 Q C 2.642 178.630 176.000 -0.021 0.000 0.971 524 Q CA 0.975 56.800 55.803 0.036 0.000 0.833 524 Q CB -0.371 28.397 28.738 0.050 0.000 0.896 524 Q HN 0.428 nan 8.270 nan 0.000 0.434 525 L N 0.541 121.726 121.223 -0.063 0.000 2.089 525 L HA -0.245 4.095 4.340 0.001 0.000 0.213 525 L C 2.385 179.147 176.870 -0.179 0.000 1.079 525 L CA 1.096 55.785 54.840 -0.251 0.000 0.758 525 L CB -0.563 41.160 42.059 -0.559 0.000 0.891 525 L HN 0.194 nan 8.230 nan 0.000 0.433 526 I N -0.490 120.118 120.570 0.063 0.000 2.286 526 I HA -0.292 3.878 4.170 0.001 0.000 0.248 526 I C 2.465 178.597 176.117 0.024 0.000 1.115 526 I CA 1.348 62.742 61.300 0.156 0.000 1.392 526 I CB -0.312 37.740 38.000 0.086 0.000 1.065 526 I HN 0.240 nan 8.210 nan 0.000 0.418 527 K N 0.620 121.013 120.400 -0.011 0.000 2.097 527 K HA -0.079 4.242 4.320 0.001 0.000 0.206 527 K C 0.539 177.122 176.600 -0.028 0.000 1.049 527 K CA 0.758 57.029 56.287 -0.026 0.000 0.933 527 K CB -0.072 32.412 32.500 -0.027 0.000 0.717 527 K HN 0.104 nan 8.250 nan 0.000 0.442 528 K N 1.619 121.992 120.400 -0.044 0.000 2.270 528 K HA 0.040 4.360 4.320 0.001 0.000 0.276 528 K C 0.681 177.267 176.600 -0.023 0.000 1.023 528 K CA 0.201 56.462 56.287 -0.044 0.000 0.955 528 K CB 0.916 33.372 32.500 -0.073 0.000 0.975 528 K HN 0.002 nan 8.250 nan 0.000 0.471 529 E N 1.521 121.716 120.200 -0.009 0.000 2.479 529 E HA 0.058 4.408 4.350 0.001 0.000 0.193 529 E C -0.436 176.173 176.600 0.016 0.000 1.049 529 E CA 0.361 56.766 56.400 0.009 0.000 0.870 529 E CB 0.345 30.051 29.700 0.010 0.000 0.944 529 E HN 0.363 nan 8.360 nan 0.000 0.492 530 K N -0.154 120.249 120.400 0.005 0.000 2.579 530 K HA 0.366 4.686 4.320 0.001 0.000 0.257 530 K C -1.640 174.965 176.600 0.008 0.000 0.950 530 K CA -0.278 56.020 56.287 0.018 0.000 0.862 530 K CB 2.428 34.942 32.500 0.023 0.000 1.317 530 K HN -0.233 nan 8.250 nan 0.000 0.436 531 V N 3.255 123.180 119.914 0.020 0.000 2.817 531 V HA 0.355 4.476 4.120 0.001 0.000 0.303 531 V C -1.600 174.540 176.094 0.076 0.000 1.151 531 V CA -0.925 61.381 62.300 0.009 0.000 0.929 531 V CB 1.866 33.643 31.823 -0.077 0.000 1.030 531 V HN 0.735 nan 8.190 nan 0.000 0.427 532 Y N 5.016 125.294 120.300 -0.038 0.000 2.549 532 Y HA 0.893 5.443 4.550 0.001 0.000 0.339 532 Y C -1.122 174.759 175.900 -0.032 0.000 1.053 532 Y CA -1.502 56.583 58.100 -0.025 0.000 1.105 532 Y CB 2.007 40.458 38.460 -0.014 0.000 1.258 532 Y HN 0.556 nan 8.280 nan 0.000 0.478 533 L N 4.401 125.064 121.223 -0.933 0.000 2.666 533 L HA 0.753 5.093 4.340 0.001 0.000 0.258 533 L C -1.344 175.107 176.870 -0.699 0.000 0.991 533 L CA -0.118 54.367 54.840 -0.592 0.000 0.916 533 L CB 0.741 42.622 42.059 -0.296 0.000 1.199 533 L HN 0.798 nan 8.230 nan 0.000 0.439 534 A N 2.942 125.439 122.820 -0.538 0.000 2.263 534 A HA 0.864 5.184 4.320 0.001 0.000 0.318 534 A C -1.676 175.924 177.584 0.027 0.000 1.111 534 A CA -0.461 51.456 52.037 -0.200 0.000 0.901 534 A CB 0.880 19.923 19.000 0.072 0.000 1.280 534 A HN 0.765 nan 8.150 nan 0.000 0.503 535 W N -0.167 121.072 121.300 -0.103 0.000 2.936 535 W HA 0.575 5.235 4.660 0.000 0.000 0.338 535 W C -1.537 174.962 176.519 -0.034 0.000 1.121 535 W CA -0.586 56.714 57.345 -0.074 0.000 1.209 535 W CB 1.781 31.192 29.460 -0.082 0.000 1.420 535 W HN 0.846 nan 8.180 nan 0.000 0.516 536 V N 3.083 122.448 119.914 -0.915 0.000 2.851 536 V HA 0.638 4.758 4.120 0.001 0.000 0.307 536 V C -2.389 173.091 176.094 -1.024 0.000 1.129 536 V CA -2.626 59.121 62.300 -0.922 0.000 0.932 536 V CB 1.494 33.098 31.823 -0.365 0.000 1.024 536 V HN 0.581 nan 8.190 nan 0.000 0.426 537 P HA 0.064 nan 4.420 nan 0.000 0.264 537 P C -0.093 177.138 177.300 -0.115 0.000 1.173 537 P CA 0.775 63.637 63.100 -0.396 0.000 0.761 537 P CB 0.552 32.100 31.700 -0.253 0.000 0.794 538 A N 2.899 125.756 122.820 0.062 0.000 2.310 538 A HA 0.379 4.699 4.320 0.001 0.000 0.299 538 A C 0.107 177.823 177.584 0.220 0.000 1.147 538 A CA -0.415 51.716 52.037 0.157 0.000 0.818 538 A CB -0.546 18.568 19.000 0.190 0.000 1.096 538 A HN 0.705 nan 8.150 nan 0.000 0.495 539 H N -0.097 118.985 119.070 0.020 0.000 2.713 539 H HA -0.098 4.459 4.556 0.001 0.000 0.311 539 H C -0.048 175.281 175.328 0.001 0.000 1.175 539 H CA 1.394 57.450 56.048 0.014 0.000 1.143 539 H CB -0.848 28.927 29.762 0.021 0.000 1.434 539 H HN 0.567 nan 8.280 nan 0.000 0.418 540 K N -0.273 120.162 120.400 0.058 0.000 2.706 540 K HA 0.293 4.614 4.320 0.001 0.000 0.203 540 K C 0.773 177.364 176.600 -0.014 0.000 1.102 540 K CA 0.342 56.638 56.287 0.015 0.000 1.058 540 K CB 0.596 33.090 32.500 -0.010 0.000 0.779 540 K HN 0.519 nan 8.250 nan 0.000 0.483 541 G N 2.429 111.214 108.800 -0.025 0.000 2.144 541 G HA2 -0.256 3.704 3.960 0.001 0.000 0.251 541 G HA3 -0.256 3.704 3.960 0.001 0.000 0.251 541 G C 0.029 174.911 174.900 -0.029 0.000 0.780 541 G CA 0.397 45.474 45.100 -0.037 0.000 1.183 541 G HN 0.334 nan 8.290 nan 0.000 0.345 542 I N 0.725 121.284 120.570 -0.020 0.000 2.648 542 I HA 0.511 4.681 4.170 0.001 0.000 0.304 542 I C 1.350 177.472 176.117 0.008 0.000 1.009 542 I CA -0.857 60.438 61.300 -0.008 0.000 1.114 542 I CB 1.845 39.837 38.000 -0.012 0.000 1.293 542 I HN 0.443 nan 8.210 nan 0.000 0.449 543 G N 2.329 111.131 108.800 0.003 0.000 2.257 543 G HA2 0.226 4.186 3.960 0.001 0.000 0.235 543 G HA3 0.226 4.186 3.960 0.001 0.000 0.235 543 G C 1.088 175.927 174.900 -0.101 0.000 1.225 543 G CA 0.467 45.541 45.100 -0.044 0.000 0.878 543 G HN 1.197 nan 8.290 nan 0.000 0.505 544 G N 1.802 110.414 108.800 -0.313 0.000 2.249 544 G HA2 -0.448 3.512 3.960 0.001 0.000 0.269 544 G HA3 -0.448 3.512 3.960 0.001 0.000 0.269 544 G C 1.422 176.247 174.900 -0.124 0.000 0.979 544 G CA 1.211 45.929 45.100 -0.637 0.000 0.644 544 G HN 0.979 nan 8.290 nan 0.000 0.546 545 N N 0.851 119.598 118.700 0.079 0.000 2.124 545 N HA -0.057 4.684 4.740 0.001 0.000 0.188 545 N C 1.954 177.497 175.510 0.055 0.000 1.045 545 N CA 1.654 54.796 53.050 0.153 0.000 0.846 545 N CB -0.388 38.162 38.487 0.104 0.000 1.020 545 N HN 0.622 nan 8.380 nan 0.000 0.432 546 E N 0.479 120.672 120.200 -0.011 0.000 2.114 546 E HA -0.259 4.091 4.350 0.001 0.000 0.199 546 E C 2.172 178.751 176.600 -0.034 0.000 1.008 546 E CA 1.464 57.835 56.400 -0.048 0.000 0.810 546 E CB -0.211 29.449 29.700 -0.066 0.000 0.739 546 E HN 0.485 nan 8.360 nan 0.000 0.456 547 Q N 0.491 120.270 119.800 -0.034 0.000 2.062 547 Q HA -0.193 4.147 4.340 0.001 0.000 0.209 547 Q C 2.408 178.411 176.000 0.005 0.000 0.996 547 Q CA 2.034 57.820 55.803 -0.028 0.000 0.859 547 Q CB -0.509 28.199 28.738 -0.051 0.000 0.920 547 Q HN 0.180 nan 8.270 nan 0.000 0.415 548 V N 1.299 121.240 119.914 0.044 0.000 2.332 548 V HA -0.318 3.802 4.120 0.001 0.000 0.248 548 V C 1.699 177.828 176.094 0.058 0.000 1.055 548 V CA 2.026 64.374 62.300 0.079 0.000 1.038 548 V CB -0.775 31.138 31.823 0.150 0.000 0.651 548 V HN 0.374 nan 8.190 nan 0.000 0.450 549 D N 0.618 121.043 120.400 0.042 0.000 2.156 549 D HA -0.215 4.426 4.640 0.001 0.000 0.190 549 D C 2.192 178.504 176.300 0.020 0.000 0.998 549 D CA 1.938 55.956 54.000 0.030 0.000 0.842 549 D CB -0.254 40.517 40.800 -0.047 0.000 0.974 549 D HN 0.501 nan 8.370 nan 0.000 0.447 550 K N 0.661 121.057 120.400 -0.006 0.000 2.015 550 K HA -0.146 4.174 4.320 0.001 0.000 0.216 550 K C 2.437 179.038 176.600 0.003 0.000 1.052 550 K CA 0.919 57.202 56.287 -0.006 0.000 0.937 550 K CB -0.547 31.942 32.500 -0.019 0.000 0.719 550 K HN 0.181 nan 8.250 nan 0.000 0.446 551 L N 0.985 122.210 121.223 0.003 0.000 2.211 551 L HA -0.233 4.108 4.340 0.001 0.000 0.216 551 L C 2.170 179.043 176.870 0.005 0.000 1.092 551 L CA 1.105 55.944 54.840 -0.000 0.000 0.767 551 L CB -0.724 41.335 42.059 -0.001 0.000 0.894 551 L HN 0.086 nan 8.230 nan 0.000 0.437 552 V N -2.055 117.871 119.914 0.019 0.000 3.013 552 V HA -0.056 4.064 4.120 0.001 0.000 0.238 552 V C 2.360 178.473 176.094 0.031 0.000 1.161 552 V CA 0.947 63.262 62.300 0.026 0.000 1.170 552 V CB 0.263 32.111 31.823 0.042 0.000 0.917 552 V HN 0.456 nan 8.190 nan 0.000 0.478 553 S N 2.140 117.863 115.700 0.038 0.000 2.444 553 S HA -0.140 4.330 4.470 0.001 0.000 0.244 553 S C 1.313 175.931 174.600 0.031 0.000 1.025 553 S CA 0.983 59.209 58.200 0.044 0.000 0.995 553 S CB -0.779 62.447 63.200 0.044 0.000 0.781 553 S HN 0.770 nan 8.310 nan 0.000 0.496 554 A N 0.000 122.832 122.820 0.020 0.000 2.254 554 A HA 0.000 4.320 4.320 0.001 0.000 0.244 554 A CA 0.000 52.046 52.037 0.014 0.000 0.836 554 A CB 0.000 19.005 19.000 0.008 0.000 0.831 554 A HN 0.000 nan 8.150 nan 0.000 0.486