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 3mee_1_A DATA FIRST_RESID 1 DATA SEQUENCE PISPIETVPV KLKPGMDGPK VKQWPLTEEK IKALVEICTE MEKEGKISKI DATA SEQUENCE GPENPYNTPV FAIKKKDSTK WRKLVDFREL NKRTQDFWEV QLGIPHPAGL DATA SEQUENCE KKKKSVTVLD VGDAYFSVPL DEDFRKYTAF TIPSINNETP GIRYQYNVLP DATA SEQUENCE QGWKGSPAIF QSSMTKILEP FRKQNPDIVI YQYMDDLYVG SDLEIGQHRT DATA SEQUENCE KIEELRQHLL RWGLTTPDKK HQKEPPFLWM GYELHPDKWT VQPIVLPEKD DATA SEQUENCE SWTVNDIQKL VGKLNWASQI YPGIKVRQLC KLLRGTKALT EVIPLTEEAE DATA SEQUENCE LELAENREIL KEPVHGVYYD PSKDLIAEIQ KQGQGQWTYQ IYQEPFKNLK DATA SEQUENCE TGKYARMRGA HTNDVKQLTE AVQKITTESI VIWGKTPKFK LPIQKETWET DATA SEQUENCE WWTEYWQATW IPEWEFVNTP PLVKLWYQLE KEPIVGAETF YVDGAANRET DATA SEQUENCE KLGKAGYVTN RGRQKVVTLT DTTNQKTELQ AIYLALQDSG LEVNIVTDSQ DATA SEQUENCE YALGIIQAQP DQSESELVNQ IIEQLIKKEK VYLAWVPAHK GIGGNEQVDK DATA SEQUENCE LV 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 0.000 177.344 177.300 0.074 0.000 1.155 1 P CA 0.000 63.128 63.100 0.047 0.000 0.800 1 P CB 0.000 31.719 31.700 0.031 0.000 0.726 2 I N 0.331 120.940 120.570 0.064 0.000 2.411 2 I HA 0.321 4.490 4.170 -0.002 0.000 0.284 2 I C 0.370 176.537 176.117 0.083 0.000 1.012 2 I CA -0.708 60.643 61.300 0.084 0.000 1.119 2 I CB 1.807 39.847 38.000 0.067 0.000 1.261 2 I HN 0.366 nan 8.210 nan 0.000 0.448 3 S N 7.979 123.748 115.700 0.116 0.000 2.573 3 S HA 0.072 4.541 4.470 -0.002 0.000 0.297 3 S C -1.114 173.570 174.600 0.140 0.000 1.280 3 S CA -0.664 57.623 58.200 0.145 0.000 1.061 3 S CB 0.607 63.911 63.200 0.173 0.000 0.812 3 S HN 0.496 nan 8.310 nan 0.000 0.500 4 P HA 0.064 nan 4.420 nan 0.000 0.242 4 P C 0.796 178.244 177.300 0.246 0.000 1.197 4 P CA 0.059 63.227 63.100 0.113 0.000 0.765 4 P CB -0.200 31.468 31.700 -0.055 0.000 0.936 5 I N 0.779 121.564 120.570 0.359 0.000 2.872 5 I HA -0.050 4.119 4.170 -0.002 0.000 0.291 5 I C 0.682 176.885 176.117 0.142 0.000 1.216 5 I CA 0.003 61.462 61.300 0.265 0.000 1.424 5 I CB 0.614 38.673 38.000 0.099 0.000 1.351 5 I HN -0.075 nan 8.210 nan 0.000 0.592 6 E N 4.623 124.887 120.200 0.106 0.000 2.422 6 E HA 0.040 4.388 4.350 -0.002 0.000 0.260 6 E C -0.062 176.571 176.600 0.055 0.000 1.108 6 E CA 0.149 56.593 56.400 0.073 0.000 0.943 6 E CB 0.508 30.242 29.700 0.057 0.000 0.961 6 E HN 0.660 nan 8.360 nan 0.000 0.443 7 T N -2.169 112.419 114.554 0.057 0.000 2.899 7 T HA 0.316 4.664 4.350 -0.002 0.000 0.284 7 T C 0.171 174.904 174.700 0.054 0.000 1.004 7 T CA -0.961 61.174 62.100 0.058 0.000 1.043 7 T CB 0.995 69.902 68.868 0.066 0.000 1.013 7 T HN 0.114 nan 8.240 nan 0.000 0.518 8 V N 4.332 124.282 119.914 0.061 0.000 2.406 8 V HA 0.339 4.458 4.120 -0.002 0.000 0.272 8 V C -1.810 174.335 176.094 0.086 0.000 1.043 8 V CA -1.856 60.487 62.300 0.073 0.000 0.915 8 V CB 0.651 32.529 31.823 0.092 0.000 0.988 8 V HN 0.852 nan 8.190 nan 0.000 0.466 9 P HA 0.165 nan 4.420 nan 0.000 0.267 9 P C -0.655 176.687 177.300 0.070 0.000 1.205 9 P CA 0.406 63.552 63.100 0.076 0.000 0.765 9 P CB 1.493 33.229 31.700 0.060 0.000 0.828 10 V N 2.311 122.260 119.914 0.058 0.000 3.007 10 V HA 0.849 4.968 4.120 -0.002 0.000 0.311 10 V C -1.176 174.955 176.094 0.062 0.000 1.120 10 V CA -0.769 61.515 62.300 -0.027 0.000 0.980 10 V CB 2.494 34.225 31.823 -0.154 0.000 1.033 10 V HN 0.509 nan 8.190 nan 0.000 0.429 11 K N 3.797 124.225 120.400 0.048 0.000 2.509 11 K HA 0.649 4.968 4.320 -0.002 0.000 0.266 11 K C -1.335 175.366 176.600 0.168 0.000 0.987 11 K CA -0.809 55.601 56.287 0.206 0.000 0.868 11 K CB 1.638 34.209 32.500 0.117 0.000 1.421 11 K HN 0.684 nan 8.250 nan 0.000 0.444 12 L N 2.133 123.439 121.223 0.138 0.000 2.464 12 L HA 0.298 4.636 4.340 -0.002 0.000 0.264 12 L C 0.532 177.399 176.870 -0.006 0.000 1.199 12 L CA 0.131 54.989 54.840 0.030 0.000 0.818 12 L CB -0.006 41.965 42.059 -0.148 0.000 1.102 12 L HN 0.666 nan 8.230 nan 0.000 0.473 13 K N 2.946 123.337 120.400 -0.015 0.000 2.518 13 K HA -0.042 4.277 4.320 -0.002 0.000 0.276 13 K C -1.259 175.330 176.600 -0.017 0.000 0.974 13 K CA -0.813 55.460 56.287 -0.024 0.000 0.986 13 K CB 0.179 32.669 32.500 -0.017 0.000 0.901 13 K HN 0.443 nan 8.250 nan 0.000 0.497 14 P HA -0.193 nan 4.420 nan 0.000 0.216 14 P C 1.003 178.305 177.300 0.002 0.000 1.150 14 P CA 1.676 64.772 63.100 -0.005 0.000 0.843 14 P CB 0.121 31.817 31.700 -0.006 0.000 0.787 15 G N -1.253 107.548 108.800 0.002 0.000 2.683 15 G HA2 0.082 4.041 3.960 -0.002 0.000 0.213 15 G HA3 0.082 4.041 3.960 -0.002 0.000 0.213 15 G C 0.922 175.828 174.900 0.009 0.000 1.142 15 G CA 0.003 45.109 45.100 0.009 0.000 0.793 15 G HN 0.159 nan 8.290 nan 0.000 0.534 16 M N 0.606 120.204 119.600 -0.003 0.000 2.227 16 M HA 0.392 4.870 4.480 -0.002 0.000 0.316 16 M C -0.768 175.515 176.300 -0.028 0.000 1.144 16 M CA -0.395 54.899 55.300 -0.009 0.000 1.121 16 M CB 0.960 33.550 32.600 -0.018 0.000 1.440 16 M HN -0.107 nan 8.290 nan 0.000 0.473 17 D N -0.210 120.181 120.400 -0.016 0.000 2.340 17 D HA 0.569 5.208 4.640 -0.002 0.000 0.243 17 D C -0.159 176.064 176.300 -0.128 0.000 0.988 17 D CA -0.126 53.865 54.000 -0.016 0.000 0.959 17 D CB 1.611 42.481 40.800 0.117 0.000 1.226 17 D HN 0.702 nan 8.370 nan 0.000 0.509 18 G N 0.602 109.209 108.800 -0.321 0.000 2.699 18 G HA2 0.304 4.263 3.960 -0.002 0.000 0.246 18 G HA3 0.304 4.263 3.960 -0.002 0.000 0.246 18 G C -2.190 172.698 174.900 -0.021 0.000 1.219 18 G CA -0.765 44.029 45.100 -0.510 0.000 0.866 18 G HN 0.460 nan 8.290 nan 0.000 0.572 19 P HA 0.245 nan 4.420 nan 0.000 0.275 19 P C -0.942 176.520 177.300 0.269 0.000 1.228 19 P CA -0.109 63.088 63.100 0.161 0.000 0.786 19 P CB 1.002 32.796 31.700 0.157 0.000 0.927 20 K N 1.608 122.128 120.400 0.200 0.000 2.842 20 K HA 0.366 4.685 4.320 -0.002 0.000 0.176 20 K C -0.984 175.682 176.600 0.110 0.000 1.080 20 K CA -0.524 55.861 56.287 0.163 0.000 0.954 20 K CB 1.110 33.690 32.500 0.134 0.000 1.203 20 K HN 0.180 nan 8.250 nan 0.000 0.611 21 V N 1.999 121.975 119.914 0.102 0.000 2.435 21 V HA 0.244 4.363 4.120 -0.002 0.000 0.290 21 V C 0.265 176.384 176.094 0.042 0.000 1.030 21 V CA -1.017 61.332 62.300 0.082 0.000 0.881 21 V CB 1.536 33.413 31.823 0.091 0.000 0.983 21 V HN 0.436 nan 8.190 nan 0.000 0.445 22 K N 3.859 124.290 120.400 0.052 0.000 2.412 22 K HA 0.116 4.435 4.320 -0.002 0.000 0.281 22 K C -0.124 176.458 176.600 -0.030 0.000 1.027 22 K CA -0.250 56.055 56.287 0.029 0.000 0.989 22 K CB 0.969 33.509 32.500 0.067 0.000 0.935 22 K HN 0.759 nan 8.250 nan 0.000 0.475 23 Q N 5.355 125.093 119.800 -0.102 0.000 2.293 23 Q HA 0.114 4.452 4.340 -0.002 0.000 0.263 23 Q C -1.138 174.780 176.000 -0.137 0.000 1.002 23 Q CA -0.227 55.411 55.803 -0.275 0.000 0.910 23 Q CB 0.231 28.844 28.738 -0.209 0.000 1.185 23 Q HN 0.451 nan 8.270 nan 0.000 0.401 24 W N 4.514 125.843 121.300 0.049 0.000 2.161 24 W HA 0.600 5.259 4.660 -0.002 0.000 0.344 24 W C -2.316 174.226 176.519 0.038 0.000 1.262 24 W CA -2.582 54.782 57.345 0.033 0.000 1.270 24 W CB -0.677 28.794 29.460 0.017 0.000 1.126 24 W HN 0.503 nan 8.180 nan 0.000 0.598 25 P HA 0.182 nan 4.420 nan 0.000 0.271 25 P C -0.753 176.720 177.300 0.290 0.000 1.216 25 P CA 0.082 63.311 63.100 0.216 0.000 0.776 25 P CB 1.143 32.929 31.700 0.143 0.000 0.881 26 L N 1.403 122.743 121.223 0.195 0.000 2.319 26 L HA 0.453 4.792 4.340 -0.002 0.000 0.267 26 L C 1.189 178.126 176.870 0.111 0.000 1.011 26 L CA -0.940 54.016 54.840 0.192 0.000 0.818 26 L CB 1.786 43.951 42.059 0.176 0.000 1.316 26 L HN 0.365 nan 8.230 nan 0.000 0.432 27 T N -3.154 111.462 114.554 0.102 0.000 2.855 27 T HA 0.045 4.394 4.350 -0.002 0.000 0.314 27 T C 0.851 175.565 174.700 0.024 0.000 1.077 27 T CA -0.354 61.785 62.100 0.066 0.000 1.095 27 T CB 0.853 69.770 68.868 0.082 0.000 0.987 27 T HN 0.675 nan 8.240 nan 0.000 0.546 28 E N 0.626 120.834 120.200 0.012 0.000 2.118 28 E HA -0.196 4.152 4.350 -0.002 0.000 0.195 28 E C 2.210 178.771 176.600 -0.065 0.000 0.992 28 E CA 1.532 57.923 56.400 -0.016 0.000 0.804 28 E CB -0.004 29.693 29.700 -0.005 0.000 0.741 28 E HN 0.952 nan 8.360 nan 0.000 0.458 29 E N 1.354 121.510 120.200 -0.073 0.000 2.216 29 E HA -0.165 4.184 4.350 -0.002 0.000 0.192 29 E C 1.647 177.974 176.600 -0.456 0.000 0.988 29 E CA 0.792 57.088 56.400 -0.175 0.000 0.834 29 E CB -0.009 29.667 29.700 -0.040 0.000 0.772 29 E HN 0.089 nan 8.360 nan 0.000 0.479 30 K N 0.560 120.752 120.400 -0.347 0.000 2.155 30 K HA 0.022 4.341 4.320 -0.002 0.000 0.203 30 K C 2.207 178.651 176.600 -0.261 0.000 1.052 30 K CA 1.120 57.160 56.287 -0.411 0.000 0.948 30 K CB -0.025 32.443 32.500 -0.053 0.000 0.728 30 K HN 0.214 nan 8.250 nan 0.000 0.448 31 I N 1.195 121.679 120.570 -0.144 0.000 2.394 31 I HA -0.269 3.900 4.170 -0.002 0.000 0.251 31 I C 2.496 178.541 176.117 -0.120 0.000 1.136 31 I CA 1.125 62.374 61.300 -0.085 0.000 1.425 31 I CB -0.171 37.806 38.000 -0.039 0.000 1.079 31 I HN 0.174 nan 8.210 nan 0.000 0.425 32 K N 1.515 121.806 120.400 -0.181 0.000 2.031 32 K HA -0.119 4.199 4.320 -0.002 0.000 0.205 32 K C 2.300 178.769 176.600 -0.218 0.000 1.049 32 K CA 1.258 57.444 56.287 -0.168 0.000 0.939 32 K CB -0.089 32.314 32.500 -0.162 0.000 0.717 32 K HN 0.206 nan 8.250 nan 0.000 0.438 33 A N 1.807 124.379 122.820 -0.412 0.000 1.884 33 A HA -0.204 4.115 4.320 -0.002 0.000 0.219 33 A C 2.160 179.636 177.584 -0.180 0.000 1.197 33 A CA 1.753 53.538 52.037 -0.421 0.000 0.637 33 A CB -0.902 17.570 19.000 -0.881 0.000 0.827 33 A HN 0.360 nan 8.150 nan 0.000 0.450 34 L N -0.648 120.488 121.223 -0.146 0.000 2.083 34 L HA -0.166 4.173 4.340 -0.002 0.000 0.209 34 L C 2.535 179.396 176.870 -0.015 0.000 1.083 34 L CA 1.123 55.937 54.840 -0.044 0.000 0.752 34 L CB -0.595 41.464 42.059 -0.001 0.000 0.899 34 L HN 0.277 nan 8.230 nan 0.000 0.433 35 V N -0.139 119.762 119.914 -0.022 0.000 2.358 35 V HA -0.253 3.866 4.120 -0.002 0.000 0.246 35 V C 2.330 178.420 176.094 -0.008 0.000 1.047 35 V CA 1.731 64.036 62.300 0.008 0.000 1.035 35 V CB -0.445 31.377 31.823 -0.002 0.000 0.658 35 V HN 0.444 nan 8.190 nan 0.000 0.452 36 E N 0.074 120.256 120.200 -0.030 0.000 2.051 36 E HA -0.193 4.155 4.350 -0.002 0.000 0.192 36 E C 2.180 178.769 176.600 -0.018 0.000 0.991 36 E CA 1.629 58.017 56.400 -0.021 0.000 0.799 36 E CB -0.209 29.477 29.700 -0.023 0.000 0.748 36 E HN 0.536 nan 8.360 nan 0.000 0.449 37 I N 0.599 121.156 120.570 -0.021 0.000 2.179 37 I HA -0.305 3.863 4.170 -0.002 0.000 0.242 37 I C 2.329 178.408 176.117 -0.065 0.000 1.088 37 I CA 0.752 62.042 61.300 -0.016 0.000 1.357 37 I CB -0.295 37.707 38.000 0.004 0.000 1.051 37 I HN 0.270 nan 8.210 nan 0.000 0.409 38 C N 0.171 119.407 119.300 -0.106 0.000 2.432 38 C HA -0.110 4.349 4.460 -0.002 0.000 0.280 38 C C 2.986 177.834 174.990 -0.237 0.000 1.353 38 C CA 1.066 59.920 59.018 -0.275 0.000 1.766 38 C CB -1.088 26.402 27.740 -0.417 0.000 1.924 38 C HN 0.508 nan 8.230 nan 0.000 0.509 39 T N 0.329 114.833 114.554 -0.084 0.000 2.708 39 T HA -0.158 4.190 4.350 -0.002 0.000 0.266 39 T C 1.832 176.507 174.700 -0.042 0.000 1.037 39 T CA 1.274 63.356 62.100 -0.029 0.000 1.146 39 T CB -0.220 68.649 68.868 0.002 0.000 0.865 39 T HN 0.605 nan 8.240 nan 0.000 0.435 40 E N 0.669 120.845 120.200 -0.039 0.000 2.012 40 E HA -0.138 4.211 4.350 -0.002 0.000 0.197 40 E C 2.291 178.863 176.600 -0.048 0.000 1.007 40 E CA 1.350 57.734 56.400 -0.026 0.000 0.816 40 E CB -0.254 29.442 29.700 -0.006 0.000 0.762 40 E HN 0.497 nan 8.360 nan 0.000 0.451 41 M N 0.351 119.900 119.600 -0.084 0.000 2.106 41 M HA -0.209 4.270 4.480 -0.002 0.000 0.259 41 M C 2.335 178.546 176.300 -0.148 0.000 1.068 41 M CA 1.441 56.663 55.300 -0.130 0.000 1.100 41 M CB -0.327 32.138 32.600 -0.224 0.000 1.351 41 M HN 0.108 nan 8.290 nan 0.000 0.404 42 E N 0.909 121.015 120.200 -0.157 0.000 2.106 42 E HA -0.187 4.162 4.350 -0.002 0.000 0.192 42 E C 1.539 178.108 176.600 -0.052 0.000 0.984 42 E CA 1.081 57.417 56.400 -0.107 0.000 0.806 42 E CB 0.112 29.791 29.700 -0.035 0.000 0.750 42 E HN 0.488 nan 8.360 nan 0.000 0.458 43 K N 0.101 120.477 120.400 -0.040 0.000 2.486 43 K HA -0.037 4.281 4.320 -0.002 0.000 0.194 43 K C 1.329 177.916 176.600 -0.021 0.000 1.033 43 K CA 0.619 56.893 56.287 -0.022 0.000 1.004 43 K CB 0.195 32.687 32.500 -0.014 0.000 0.798 43 K HN 0.201 nan 8.250 nan 0.000 0.495 44 E N -0.516 119.666 120.200 -0.029 0.000 2.472 44 E HA 0.057 4.406 4.350 -0.002 0.000 0.196 44 E C 0.885 177.472 176.600 -0.022 0.000 1.033 44 E CA 0.356 56.747 56.400 -0.016 0.000 0.886 44 E CB 0.783 30.481 29.700 -0.003 0.000 0.944 44 E HN 0.415 nan 8.360 nan 0.000 0.492 45 G N 2.037 110.812 108.800 -0.041 0.000 2.195 45 G HA2 -0.289 3.670 3.960 -0.002 0.000 0.246 45 G HA3 -0.289 3.670 3.960 -0.002 0.000 0.246 45 G C 1.132 175.990 174.900 -0.069 0.000 0.984 45 G CA 0.524 45.601 45.100 -0.039 0.000 0.633 45 G HN 0.041 nan 8.290 nan 0.000 0.525 46 K N 0.413 120.743 120.400 -0.117 0.000 2.097 46 K HA 0.182 4.501 4.320 -0.002 0.000 0.206 46 K C 1.662 178.095 176.600 -0.278 0.000 1.049 46 K CA 1.761 57.923 56.287 -0.208 0.000 0.933 46 K CB -0.283 32.017 32.500 -0.333 0.000 0.717 46 K HN 0.965 nan 8.250 nan 0.000 0.442 47 I N -4.503 115.902 120.570 -0.276 0.000 3.145 47 I HA 0.496 4.665 4.170 -0.002 0.000 0.313 47 I C -0.845 175.213 176.117 -0.099 0.000 1.122 47 I CA -0.954 60.183 61.300 -0.271 0.000 0.987 47 I CB 2.638 40.365 38.000 -0.454 0.000 1.236 47 I HN -0.360 nan 8.210 nan 0.000 0.453 48 S N 1.411 117.105 115.700 -0.009 0.000 2.547 48 S HA 0.416 4.884 4.470 -0.002 0.000 0.281 48 S C -0.805 173.843 174.600 0.079 0.000 1.118 48 S CA -0.877 57.350 58.200 0.044 0.000 0.947 48 S CB 1.906 65.099 63.200 -0.012 0.000 1.053 48 S HN 0.476 nan 8.310 nan 0.000 0.482 49 K N 2.563 122.966 120.400 0.005 0.000 2.448 49 K HA 0.266 4.584 4.320 -0.002 0.000 0.278 49 K C 0.031 176.506 176.600 -0.209 0.000 1.009 49 K CA 0.234 56.351 56.287 -0.284 0.000 0.995 49 K CB 0.137 32.456 32.500 -0.302 0.000 0.917 49 K HN 0.618 nan 8.250 nan 0.000 0.481 50 I N -1.648 118.766 120.570 -0.260 0.000 2.797 50 I HA 0.510 4.679 4.170 -0.002 0.000 0.307 50 I C 0.473 176.487 176.117 -0.171 0.000 1.033 50 I CA -1.089 60.105 61.300 -0.176 0.000 1.071 50 I CB 1.746 39.657 38.000 -0.150 0.000 1.255 50 I HN 0.517 nan 8.210 nan 0.000 0.445 51 G N 2.260 110.983 108.800 -0.128 0.000 2.570 51 G HA2 0.372 4.331 3.960 -0.002 0.000 0.276 51 G HA3 0.372 4.331 3.960 -0.002 0.000 0.276 51 G C -1.555 173.276 174.900 -0.115 0.000 1.346 51 G CA -0.843 44.188 45.100 -0.115 0.000 1.034 51 G HN 0.661 nan 8.290 nan 0.000 0.512 52 P HA 0.045 nan 4.420 nan 0.000 0.227 52 P C 0.976 178.219 177.300 -0.095 0.000 1.161 52 P CA 0.764 63.807 63.100 -0.096 0.000 0.788 52 P CB 0.422 32.073 31.700 -0.082 0.000 0.822 53 E N 1.006 121.151 120.200 -0.092 0.000 2.021 53 E HA -0.188 4.161 4.350 -0.002 0.000 0.200 53 E C 0.989 177.514 176.600 -0.126 0.000 1.015 53 E CA 0.820 57.162 56.400 -0.097 0.000 0.824 53 E CB -1.433 28.217 29.700 -0.083 0.000 0.762 53 E HN 0.294 nan 8.360 nan 0.000 0.454 54 N N 1.874 120.501 118.700 -0.122 0.000 2.276 54 N HA -0.089 4.650 4.740 -0.002 0.000 0.279 54 N C -1.864 173.530 175.510 -0.192 0.000 1.379 54 N CA -0.488 52.479 53.050 -0.139 0.000 0.886 54 N CB 0.739 39.177 38.487 -0.081 0.000 1.199 54 N HN 0.009 nan 8.380 nan 0.000 0.493 55 P HA -0.028 nan 4.420 nan 0.000 0.245 55 P C -0.804 176.294 177.300 -0.337 0.000 1.206 55 P CA 0.584 63.456 63.100 -0.380 0.000 0.781 55 P CB 0.173 31.585 31.700 -0.479 0.000 0.994 56 Y N 0.667 120.975 120.300 0.013 0.000 2.335 56 Y HA 0.518 5.067 4.550 -0.002 0.000 0.323 56 Y C 1.100 177.024 175.900 0.040 0.000 1.224 56 Y CA -0.617 57.513 58.100 0.051 0.000 1.241 56 Y CB 0.684 39.203 38.460 0.097 0.000 1.235 56 Y HN -0.105 nan 8.280 nan 0.000 0.492 57 N N -0.287 118.548 118.700 0.225 0.000 2.636 57 N HA 0.336 5.075 4.740 -0.002 0.000 0.261 57 N C -1.995 173.592 175.510 0.129 0.000 1.195 57 N CA -0.362 52.774 53.050 0.144 0.000 0.902 57 N CB 2.093 40.619 38.487 0.065 0.000 1.627 57 N HN 0.639 nan 8.380 nan 0.000 0.491 58 T N 2.901 117.521 114.554 0.110 0.000 2.928 58 T HA 0.479 4.827 4.350 -0.002 0.000 0.296 58 T C -2.717 171.948 174.700 -0.058 0.000 1.000 58 T CA -0.816 61.310 62.100 0.043 0.000 0.989 58 T CB 2.135 71.029 68.868 0.044 0.000 1.005 58 T HN 0.379 nan 8.240 nan 0.000 0.442 59 P HA 0.310 nan 4.420 nan 0.000 0.269 59 P C -0.734 176.420 177.300 -0.243 0.000 1.215 59 P CA -0.288 62.575 63.100 -0.395 0.000 0.780 59 P CB 0.984 32.214 31.700 -0.784 0.000 0.898 60 V N 3.530 123.312 119.914 -0.220 0.000 3.102 60 V HA 0.831 4.950 4.120 -0.002 0.000 0.312 60 V C -1.095 175.122 176.094 0.206 0.000 1.135 60 V CA -0.635 61.629 62.300 -0.060 0.000 1.022 60 V CB 1.707 33.461 31.823 -0.115 0.000 1.056 60 V HN 0.645 nan 8.190 nan 0.000 0.436 61 F N 2.082 122.052 119.950 0.033 0.000 2.877 61 F HA 0.985 5.511 4.527 -0.002 0.000 0.319 61 F C -0.716 175.169 175.800 0.142 0.000 1.174 61 F CA -0.711 57.381 58.000 0.154 0.000 0.903 61 F CB 1.074 40.269 39.000 0.325 0.000 1.357 61 F HN 0.796 nan 8.300 nan 0.000 0.472 62 A N 1.161 124.183 122.820 0.336 0.000 2.449 62 A HA 0.881 5.200 4.320 -0.002 0.000 0.302 62 A C -1.545 176.352 177.584 0.521 0.000 1.048 62 A CA -0.736 51.475 52.037 0.291 0.000 0.708 62 A CB 1.307 20.430 19.000 0.205 0.000 1.274 62 A HN 0.790 nan 8.150 nan 0.000 0.410 63 I N 0.589 121.428 120.570 0.449 0.000 2.730 63 I HA 0.384 4.553 4.170 -0.002 0.000 0.298 63 I C -0.240 175.889 176.117 0.020 0.000 1.089 63 I CA -0.913 60.557 61.300 0.283 0.000 1.041 63 I CB 2.510 40.620 38.000 0.183 0.000 1.235 63 I HN 0.707 nan 8.210 nan 0.000 0.423 64 K N 4.582 124.734 120.400 -0.414 0.000 2.310 64 K HA 0.125 4.444 4.320 -0.002 0.000 0.290 64 K C -0.079 176.306 176.600 -0.358 0.000 1.077 64 K CA -0.356 55.455 56.287 -0.793 0.000 0.922 64 K CB 0.486 32.407 32.500 -0.965 0.000 1.057 64 K HN 0.366 nan 8.250 nan 0.000 0.479 65 K N 4.867 125.111 120.400 -0.259 0.000 2.351 65 K HA -0.066 4.252 4.320 -0.002 0.000 0.287 65 K C -0.367 176.166 176.600 -0.111 0.000 1.068 65 K CA 0.187 56.402 56.287 -0.120 0.000 0.998 65 K CB 0.155 32.618 32.500 -0.061 0.000 0.968 65 K HN 0.609 nan 8.250 nan 0.000 0.464 66 K N 1.863 122.211 120.400 -0.087 0.000 1.939 66 K HA -0.265 4.054 4.320 -0.002 0.000 0.165 66 K C -0.253 176.297 176.600 -0.085 0.000 1.508 66 K CA 1.852 58.097 56.287 -0.070 0.000 0.525 66 K CB -0.774 31.695 32.500 -0.051 0.000 0.615 66 K HN 0.748 nan 8.250 nan 0.000 0.888 67 D N 0.593 120.954 120.400 -0.066 0.000 2.973 67 D HA 0.300 4.939 4.640 -0.002 0.000 0.263 67 D C -0.735 175.527 176.300 -0.063 0.000 1.266 67 D CA 0.206 54.166 54.000 -0.066 0.000 0.975 67 D CB 0.241 41.013 40.800 -0.047 0.000 1.032 67 D HN 0.348 nan 8.370 nan 0.000 0.510 68 S N -0.849 114.800 115.700 -0.084 0.000 2.841 68 S HA 0.504 4.973 4.470 -0.002 0.000 0.318 68 S C 0.683 175.225 174.600 -0.097 0.000 1.127 68 S CA -0.388 57.771 58.200 -0.070 0.000 0.883 68 S CB 1.425 64.593 63.200 -0.054 0.000 1.271 68 S HN 0.180 nan 8.310 nan 0.000 0.567 69 T N -0.186 114.331 114.554 -0.060 0.000 3.228 69 T HA 0.498 4.847 4.350 -0.002 0.000 0.278 69 T C -0.361 174.343 174.700 0.007 0.000 1.014 69 T CA -0.429 61.641 62.100 -0.049 0.000 0.904 69 T CB -0.135 68.737 68.868 0.007 0.000 1.110 69 T HN 0.310 nan 8.240 nan 0.000 0.541 70 K N 0.601 120.993 120.400 -0.013 0.000 2.185 70 K HA 0.716 5.035 4.320 -0.002 0.000 0.240 70 K C -1.134 175.484 176.600 0.028 0.000 0.983 70 K CA -0.607 55.739 56.287 0.098 0.000 0.873 70 K CB 1.021 33.570 32.500 0.082 0.000 1.118 70 K HN 0.217 nan 8.250 nan 0.000 0.441 71 W N 0.477 121.786 121.300 0.014 0.000 2.655 71 W HA 0.539 5.198 4.660 -0.002 0.000 0.358 71 W C 0.035 176.557 176.519 0.006 0.000 1.100 71 W CA -0.655 56.700 57.345 0.016 0.000 1.195 71 W CB 0.995 30.469 29.460 0.024 0.000 1.403 71 W HN 0.106 nan 8.180 nan 0.000 0.589 72 R N 1.514 122.161 120.500 0.244 0.000 2.664 72 R HA 0.370 4.709 4.340 -0.002 0.000 0.286 72 R C -0.559 175.802 176.300 0.103 0.000 0.967 72 R CA -1.255 54.921 56.100 0.127 0.000 0.933 72 R CB 2.178 32.509 30.300 0.052 0.000 1.146 72 R HN 0.376 nan 8.270 nan 0.000 0.468 73 K N 3.256 123.678 120.400 0.037 0.000 2.253 73 K HA 0.247 4.566 4.320 -0.002 0.000 0.277 73 K C -1.179 175.327 176.600 -0.157 0.000 1.053 73 K CA -0.493 55.763 56.287 -0.052 0.000 0.892 73 K CB 0.558 33.041 32.500 -0.027 0.000 1.102 73 K HN 0.232 nan 8.250 nan 0.000 0.469 74 L N 4.547 125.528 121.223 -0.404 0.000 2.322 74 L HA 0.397 4.736 4.340 -0.002 0.000 0.281 74 L C -0.644 175.748 176.870 -0.796 0.000 1.014 74 L CA -0.760 53.704 54.840 -0.625 0.000 0.815 74 L CB 1.840 43.322 42.059 -0.962 0.000 1.247 74 L HN 0.309 nan 8.230 nan 0.000 0.421 75 V N 1.176 120.809 119.914 -0.468 0.000 2.547 75 V HA 0.386 4.505 4.120 -0.002 0.000 0.299 75 V C -0.463 175.450 176.094 -0.302 0.000 1.040 75 V CA -0.729 61.261 62.300 -0.516 0.000 0.913 75 V CB 1.939 33.260 31.823 -0.836 0.000 0.992 75 V HN 0.680 nan 8.190 nan 0.000 0.449 76 D N 2.762 123.088 120.400 -0.123 0.000 2.456 76 D HA 0.261 4.900 4.640 -0.002 0.000 0.219 76 D C -0.105 176.170 176.300 -0.041 0.000 1.126 76 D CA -0.298 53.768 54.000 0.109 0.000 0.890 76 D CB 0.643 41.646 40.800 0.339 0.000 1.025 76 D HN 0.361 nan 8.370 nan 0.000 0.511 77 F N 2.499 122.558 119.950 0.182 0.000 2.645 77 F HA 0.267 4.793 4.527 -0.002 0.000 0.300 77 F C 2.122 178.033 175.800 0.186 0.000 1.115 77 F CA -0.366 57.747 58.000 0.188 0.000 1.355 77 F CB 0.096 39.231 39.000 0.225 0.000 1.026 77 F HN 0.231 nan 8.300 nan 0.000 0.536 78 R N 0.203 120.879 120.500 0.292 0.000 2.097 78 R HA -0.186 4.153 4.340 -0.002 0.000 0.236 78 R C 1.994 178.419 176.300 0.207 0.000 1.135 78 R CA 1.685 57.916 56.100 0.218 0.000 0.934 78 R CB -0.296 30.107 30.300 0.172 0.000 0.846 78 R HN 0.180 nan 8.270 nan 0.000 0.431 79 E N 0.777 121.098 120.200 0.202 0.000 2.051 79 E HA -0.177 4.172 4.350 -0.002 0.000 0.192 79 E C 1.983 178.702 176.600 0.198 0.000 0.991 79 E CA 0.905 57.409 56.400 0.174 0.000 0.799 79 E CB -0.355 29.439 29.700 0.157 0.000 0.748 79 E HN 0.123 nan 8.360 nan 0.000 0.449 80 L N 1.794 123.186 121.223 0.282 0.000 2.046 80 L HA -0.140 4.199 4.340 -0.002 0.000 0.208 80 L C 1.574 178.648 176.870 0.339 0.000 1.077 80 L CA 1.681 56.712 54.840 0.320 0.000 0.747 80 L CB -0.724 41.616 42.059 0.470 0.000 0.896 80 L HN -0.008 nan 8.230 nan 0.000 0.432 81 N N 0.284 119.184 118.700 0.334 0.000 2.104 81 N HA -0.187 4.552 4.740 -0.002 0.000 0.190 81 N C 1.724 177.316 175.510 0.136 0.000 1.024 81 N CA 1.553 54.732 53.050 0.215 0.000 0.853 81 N CB -0.251 38.333 38.487 0.163 0.000 1.008 81 N HN 0.446 nan 8.380 nan 0.000 0.424 82 K N 0.424 120.900 120.400 0.128 0.000 2.280 82 K HA 0.006 4.325 4.320 -0.002 0.000 0.202 82 K C 1.505 178.148 176.600 0.072 0.000 1.047 82 K CA 0.787 57.124 56.287 0.084 0.000 0.942 82 K CB 0.037 32.586 32.500 0.081 0.000 0.739 82 K HN 0.209 nan 8.250 nan 0.000 0.457 83 R N 0.191 120.747 120.500 0.094 0.000 2.334 83 R HA 0.080 4.419 4.340 -0.002 0.000 0.216 83 R C 0.204 176.553 176.300 0.082 0.000 0.905 83 R CA 0.175 56.311 56.100 0.060 0.000 1.064 83 R CB 0.547 30.863 30.300 0.025 0.000 1.046 83 R HN -0.025 nan 8.270 nan 0.000 0.508 84 T N 2.046 116.689 114.554 0.149 0.000 2.909 84 T HA 0.088 4.437 4.350 -0.002 0.000 0.286 84 T C 0.090 174.792 174.700 0.003 0.000 1.002 84 T CA -0.652 61.560 62.100 0.186 0.000 1.074 84 T CB 1.460 70.541 68.868 0.354 0.000 0.984 84 T HN 0.208 nan 8.240 nan 0.000 0.495 85 Q N 1.986 121.718 119.800 -0.113 0.000 2.479 85 Q HA 0.127 4.466 4.340 -0.002 0.000 0.267 85 Q C -0.785 174.960 176.000 -0.425 0.000 1.071 85 Q CA -0.392 55.245 55.803 -0.277 0.000 0.935 85 Q CB 0.398 28.904 28.738 -0.387 0.000 1.295 85 Q HN 0.430 nan 8.270 nan 0.000 0.476 86 D N 0.632 120.836 120.400 -0.327 0.000 2.339 86 D HA 0.287 4.926 4.640 -0.002 0.000 0.245 86 D C -0.784 175.246 176.300 -0.451 0.000 1.115 86 D CA 0.175 54.027 54.000 -0.248 0.000 0.917 86 D CB 0.454 41.194 40.800 -0.100 0.000 1.192 86 D HN 0.357 nan 8.370 nan 0.000 0.428 87 F N -0.377 119.530 119.950 -0.071 0.000 2.579 87 F HA 0.232 4.758 4.527 -0.002 0.000 0.324 87 F C 0.444 176.293 175.800 0.082 0.000 1.058 87 F CA -1.269 56.719 58.000 -0.021 0.000 0.944 87 F CB 1.016 39.955 39.000 -0.102 0.000 1.245 87 F HN 0.289 nan 8.300 nan 0.000 0.477 88 W N 3.761 125.132 121.300 0.119 0.000 2.484 88 W HA -0.074 4.584 4.660 -0.003 0.000 0.337 88 W C 0.077 176.635 176.519 0.064 0.000 1.214 88 W CA -0.187 57.197 57.345 0.066 0.000 1.296 88 W CB 0.586 30.078 29.460 0.053 0.000 1.174 88 W HN 0.457 nan 8.180 nan 0.000 0.564 89 E N 4.123 123.916 120.200 -0.678 0.000 2.529 89 E HA -0.093 4.256 4.350 -0.002 0.000 0.259 89 E C 1.199 177.367 176.600 -0.720 0.000 0.966 89 E CA 0.160 56.154 56.400 -0.677 0.000 0.937 89 E CB 1.084 30.351 29.700 -0.722 0.000 0.923 89 E HN 0.435 nan 8.360 nan 0.000 0.468 90 V N 3.405 123.117 119.914 -0.337 0.000 2.220 90 V HA -0.255 3.864 4.120 -0.002 0.000 0.250 90 V C 1.106 177.097 176.094 -0.170 0.000 1.053 90 V CA 1.794 63.979 62.300 -0.193 0.000 1.019 90 V CB -0.343 31.417 31.823 -0.105 0.000 0.646 90 V HN 0.656 nan 8.190 nan 0.000 0.455 91 Q N -1.003 118.725 119.800 -0.120 0.000 2.378 91 Q HA 0.343 4.682 4.340 -0.002 0.000 0.262 91 Q C -2.207 173.774 176.000 -0.031 0.000 0.978 91 Q CA -0.585 55.162 55.803 -0.094 0.000 0.918 91 Q CB 2.136 30.907 28.738 0.056 0.000 1.415 91 Q HN 0.253 nan 8.270 nan 0.000 0.409 92 L N 1.862 123.040 121.223 -0.074 0.000 2.276 92 L HA 0.782 5.121 4.340 -0.002 0.000 0.286 92 L C 0.297 177.185 176.870 0.031 0.000 1.024 92 L CA 0.202 55.026 54.840 -0.027 0.000 0.826 92 L CB 1.210 43.218 42.059 -0.085 0.000 1.211 92 L HN 0.731 nan 8.230 nan 0.000 0.422 93 G N 4.814 113.655 108.800 0.068 0.000 2.677 93 G HA2 0.139 4.097 3.960 -0.002 0.000 0.321 93 G HA3 0.139 4.097 3.960 -0.002 0.000 0.321 93 G C -1.419 173.559 174.900 0.130 0.000 1.449 93 G CA -0.937 44.213 45.100 0.082 0.000 1.064 93 G HN 0.163 nan 8.290 nan 0.000 0.627 94 I N 3.548 124.183 120.570 0.107 0.000 2.377 94 I HA 0.424 4.592 4.170 -0.002 0.000 0.293 94 I C -1.523 174.656 176.117 0.102 0.000 0.987 94 I CA -2.513 58.872 61.300 0.141 0.000 1.185 94 I CB 1.208 39.237 38.000 0.047 0.000 1.341 94 I HN 0.342 nan 8.210 nan 0.000 0.455 95 P HA 0.097 nan 4.420 nan 0.000 0.268 95 P C -0.378 176.902 177.300 -0.033 0.000 1.204 95 P CA 0.111 63.197 63.100 -0.022 0.000 0.768 95 P CB 0.644 32.227 31.700 -0.195 0.000 0.842 96 H N 4.206 123.131 119.070 -0.242 0.000 2.525 96 H HA 0.130 4.685 4.556 -0.003 0.000 0.339 96 H C -1.581 173.428 175.328 -0.531 0.000 1.109 96 H CA -1.749 54.048 56.048 -0.418 0.000 1.352 96 H CB 1.250 30.742 29.762 -0.450 0.000 1.461 96 H HN 0.173 nan 8.280 nan 0.000 0.533 97 P HA -0.145 nan 4.420 nan 0.000 0.216 97 P C 0.981 178.001 177.300 -0.466 0.000 1.150 97 P CA 2.020 64.664 63.100 -0.760 0.000 0.843 97 P CB 0.044 30.896 31.700 -1.413 0.000 0.787 98 A N -0.572 122.003 122.820 -0.409 0.000 2.121 98 A HA 0.013 4.332 4.320 -0.002 0.000 0.218 98 A C 2.272 180.018 177.584 0.270 0.000 1.154 98 A CA 1.650 53.723 52.037 0.060 0.000 0.679 98 A CB -1.526 17.592 19.000 0.196 0.000 0.795 98 A HN 0.312 nan 8.150 nan 0.000 0.458 99 G N -0.806 107.963 108.800 -0.050 0.000 2.777 99 G HA2 0.291 4.249 3.960 -0.002 0.000 0.211 99 G HA3 0.291 4.249 3.960 -0.002 0.000 0.211 99 G C 0.600 175.593 174.900 0.154 0.000 1.149 99 G CA -0.240 44.816 45.100 -0.074 0.000 0.785 99 G HN 0.405 nan 8.290 nan 0.000 0.536 100 L N 0.445 121.738 121.223 0.116 0.000 2.439 100 L HA 0.345 4.684 4.340 -0.002 0.000 0.269 100 L C 0.116 177.017 176.870 0.051 0.000 1.179 100 L CA -0.470 54.363 54.840 -0.012 0.000 0.828 100 L CB 0.861 42.772 42.059 -0.248 0.000 1.106 100 L HN -0.074 nan 8.230 nan 0.000 0.467 101 K N 1.670 122.031 120.400 -0.065 0.000 2.118 101 K HA 0.219 4.538 4.320 -0.002 0.000 0.267 101 K C -0.333 176.128 176.600 -0.232 0.000 0.991 101 K CA -0.606 55.661 56.287 -0.034 0.000 0.916 101 K CB 1.032 33.524 32.500 -0.014 0.000 1.041 101 K HN 0.289 nan 8.250 nan 0.000 0.455 102 K N 1.981 122.351 120.400 -0.051 0.000 2.524 102 K HA -0.053 4.265 4.320 -0.002 0.000 0.279 102 K C -0.668 175.891 176.600 -0.068 0.000 0.993 102 K CA 0.624 56.902 56.287 -0.015 0.000 1.030 102 K CB 0.379 32.965 32.500 0.143 0.000 0.891 102 K HN 0.189 nan 8.250 nan 0.000 0.488 103 K N 2.862 123.221 120.400 -0.068 0.000 2.371 103 K HA 0.230 4.549 4.320 -0.002 0.000 0.251 103 K C 0.114 176.704 176.600 -0.017 0.000 0.934 103 K CA -0.601 55.657 56.287 -0.049 0.000 0.798 103 K CB 1.653 34.109 32.500 -0.072 0.000 1.204 103 K HN 0.434 nan 8.250 nan 0.000 0.427 104 K N 0.026 120.409 120.400 -0.028 0.000 2.031 104 K HA 0.035 4.354 4.320 -0.002 0.000 0.205 104 K C 0.008 176.563 176.600 -0.074 0.000 1.049 104 K CA 0.959 57.226 56.287 -0.034 0.000 0.939 104 K CB 0.103 32.584 32.500 -0.031 0.000 0.717 104 K HN 0.672 nan 8.250 nan 0.000 0.438 105 S N 0.104 115.705 115.700 -0.165 0.000 2.548 105 S HA 0.567 5.036 4.470 -0.002 0.000 0.276 105 S C -0.709 173.686 174.600 -0.341 0.000 1.129 105 S CA -1.083 56.933 58.200 -0.307 0.000 0.931 105 S CB 2.349 65.223 63.200 -0.544 0.000 1.068 105 S HN -0.113 nan 8.310 nan 0.000 0.480 106 V N 1.436 121.304 119.914 -0.077 0.000 2.709 106 V HA 0.862 4.981 4.120 -0.002 0.000 0.308 106 V C -0.264 176.058 176.094 0.379 0.000 1.062 106 V CA -0.430 61.974 62.300 0.173 0.000 0.901 106 V CB 1.982 33.976 31.823 0.285 0.000 1.003 106 V HN 1.084 nan 8.190 nan 0.000 0.425 107 T N 2.936 117.704 114.554 0.356 0.000 2.933 107 T HA 0.679 5.028 4.350 -0.002 0.000 0.305 107 T C -1.418 173.352 174.700 0.117 0.000 1.092 107 T CA -0.320 61.976 62.100 0.327 0.000 1.008 107 T CB 1.727 70.797 68.868 0.337 0.000 1.102 107 T HN 0.411 nan 8.240 nan 0.000 0.469 108 V N 5.965 125.918 119.914 0.066 0.000 2.394 108 V HA 0.542 4.661 4.120 -0.002 0.000 0.282 108 V C -0.192 175.883 176.094 -0.032 0.000 1.031 108 V CA -0.689 61.580 62.300 -0.052 0.000 0.881 108 V CB 1.246 33.029 31.823 -0.066 0.000 0.982 108 V HN 0.758 nan 8.190 nan 0.000 0.451 109 L N 4.291 125.445 121.223 -0.114 0.000 2.322 109 L HA 0.564 4.903 4.340 -0.002 0.000 0.281 109 L C -0.220 176.577 176.870 -0.122 0.000 1.014 109 L CA -0.379 54.410 54.840 -0.084 0.000 0.815 109 L CB 1.909 43.920 42.059 -0.081 0.000 1.247 109 L HN 0.610 nan 8.230 nan 0.000 0.421 110 D N 3.084 123.441 120.400 -0.073 0.000 2.329 110 D HA 0.229 4.868 4.640 -0.002 0.000 0.232 110 D C -0.782 175.476 176.300 -0.069 0.000 1.088 110 D CA -0.427 53.525 54.000 -0.080 0.000 0.835 110 D CB 2.040 42.813 40.800 -0.044 0.000 1.078 110 D HN 0.097 nan 8.370 nan 0.000 0.495 111 V N 3.554 123.422 119.914 -0.076 0.000 2.508 111 V HA 0.330 4.449 4.120 -0.002 0.000 0.281 111 V C 1.317 177.370 176.094 -0.068 0.000 1.041 111 V CA -0.507 61.770 62.300 -0.039 0.000 1.016 111 V CB 1.219 33.063 31.823 0.035 0.000 0.984 111 V HN 0.598 nan 8.190 nan 0.000 0.478 112 G N 2.697 111.471 108.800 -0.043 0.000 2.390 112 G HA2 0.334 4.293 3.960 -0.002 0.000 0.270 112 G HA3 0.334 4.293 3.960 -0.002 0.000 0.270 112 G C 0.117 174.982 174.900 -0.058 0.000 1.211 112 G CA -0.286 44.780 45.100 -0.058 0.000 0.842 112 G HN 0.891 nan 8.290 nan 0.000 0.519 113 D N 0.793 121.125 120.400 -0.113 0.000 2.692 113 D HA -0.275 4.364 4.640 -0.002 0.000 0.233 113 D C 1.721 177.961 176.300 -0.100 0.000 1.172 113 D CA 0.829 54.749 54.000 -0.132 0.000 0.636 113 D CB -0.786 40.010 40.800 -0.007 0.000 1.028 113 D HN 0.639 nan 8.370 nan 0.000 0.419 114 A N 0.057 122.745 122.820 -0.220 0.000 1.869 114 A HA -0.284 4.035 4.320 -0.002 0.000 0.218 114 A C 1.856 179.459 177.584 0.032 0.000 1.203 114 A CA 1.508 53.425 52.037 -0.199 0.000 0.638 114 A CB -0.614 17.884 19.000 -0.835 0.000 0.831 114 A HN 0.412 nan 8.150 nan 0.000 0.450 115 Y N -0.983 119.162 120.300 -0.258 0.000 2.128 115 Y HA -0.137 4.412 4.550 -0.002 0.000 0.284 115 Y C 2.258 178.335 175.900 0.294 0.000 1.154 115 Y CA 0.443 58.535 58.100 -0.015 0.000 1.149 115 Y CB -1.204 37.194 38.460 -0.103 0.000 0.976 115 Y HN 0.430 nan 8.280 nan 0.000 0.505 116 F N -0.948 119.124 119.950 0.203 0.000 2.771 116 F HA -0.092 4.434 4.527 -0.002 0.000 0.299 116 F C 1.770 177.655 175.800 0.141 0.000 1.177 116 F CA 0.234 58.334 58.000 0.167 0.000 1.450 116 F CB -0.034 39.042 39.000 0.126 0.000 1.114 116 F HN -0.059 nan 8.300 nan 0.000 0.587 117 S N -0.324 115.577 115.700 0.336 0.000 2.575 117 S HA 0.115 4.584 4.470 -0.002 0.000 0.215 117 S C 0.345 175.083 174.600 0.231 0.000 0.966 117 S CA 0.060 58.407 58.200 0.244 0.000 0.911 117 S CB 0.296 63.624 63.200 0.213 0.000 0.780 117 S HN -0.100 nan 8.310 nan 0.000 0.514 118 V N 4.386 124.459 119.914 0.265 0.000 2.495 118 V HA 0.397 4.516 4.120 -0.002 0.000 0.298 118 V C -2.459 173.731 176.094 0.161 0.000 1.031 118 V CA -2.331 60.091 62.300 0.203 0.000 0.871 118 V CB 1.921 33.882 31.823 0.230 0.000 0.988 118 V HN 0.041 nan 8.190 nan 0.000 0.432 119 P HA 0.195 nan 4.420 nan 0.000 0.271 119 P C -0.735 176.615 177.300 0.082 0.000 1.218 119 P CA -0.182 62.975 63.100 0.094 0.000 0.780 119 P CB 1.358 33.106 31.700 0.081 0.000 0.901 120 L N 2.218 123.482 121.223 0.069 0.000 2.322 120 L HA 0.285 4.624 4.340 -0.002 0.000 0.279 120 L C 0.433 177.345 176.870 0.070 0.000 1.036 120 L CA -0.744 54.126 54.840 0.049 0.000 0.807 120 L CB 1.215 43.285 42.059 0.017 0.000 1.226 120 L HN 0.350 nan 8.230 nan 0.000 0.433 121 D N 2.977 123.428 120.400 0.084 0.000 2.570 121 D HA -0.154 4.485 4.640 -0.002 0.000 0.243 121 D C 1.086 177.463 176.300 0.129 0.000 1.171 121 D CA 0.739 54.806 54.000 0.112 0.000 0.879 121 D CB 0.812 41.692 40.800 0.133 0.000 1.143 121 D HN 0.625 nan 8.370 nan 0.000 0.511 122 E N 2.572 122.825 120.200 0.088 0.000 2.097 122 E HA -0.256 4.093 4.350 -0.002 0.000 0.196 122 E C 0.796 177.431 176.600 0.059 0.000 1.000 122 E CA 1.504 57.940 56.400 0.061 0.000 0.804 122 E CB 0.212 29.938 29.700 0.043 0.000 0.740 122 E HN 0.565 nan 8.360 nan 0.000 0.454 123 D N -0.604 119.852 120.400 0.092 0.000 2.309 123 D HA -0.148 4.491 4.640 -0.002 0.000 0.212 123 D C 1.325 177.680 176.300 0.091 0.000 0.968 123 D CA 0.683 54.734 54.000 0.085 0.000 0.882 123 D CB -0.124 40.753 40.800 0.128 0.000 0.918 123 D HN 0.246 nan 8.370 nan 0.000 0.503 124 F N 1.065 121.015 119.950 0.000 0.000 2.714 124 F HA 0.160 4.686 4.527 -0.002 0.000 0.294 124 F C 2.043 177.791 175.800 -0.087 0.000 1.120 124 F CA -0.027 57.998 58.000 0.042 0.000 1.398 124 F CB 0.266 39.318 39.000 0.087 0.000 1.120 124 F HN -0.273 nan 8.300 nan 0.000 0.589 125 R N 1.031 121.510 120.500 -0.035 0.000 2.105 125 R HA -0.218 4.120 4.340 -0.002 0.000 0.239 125 R C 2.203 178.395 176.300 -0.179 0.000 1.135 125 R CA 1.971 58.033 56.100 -0.062 0.000 0.967 125 R CB -0.583 29.712 30.300 -0.008 0.000 0.861 125 R HN 0.366 nan 8.270 nan 0.000 0.442 126 K N 0.093 120.304 120.400 -0.315 0.000 2.160 126 K HA -0.200 4.119 4.320 -0.002 0.000 0.206 126 K C 1.049 177.461 176.600 -0.314 0.000 1.047 126 K CA 1.759 57.859 56.287 -0.312 0.000 0.930 126 K CB -0.415 31.855 32.500 -0.383 0.000 0.720 126 K HN 0.230 nan 8.250 nan 0.000 0.450 127 Y N 2.163 122.239 120.300 -0.373 0.000 2.578 127 Y HA 0.015 4.564 4.550 -0.002 0.000 0.297 127 Y C 1.802 177.575 175.900 -0.212 0.000 1.176 127 Y CA 0.886 58.696 58.100 -0.483 0.000 1.315 127 Y CB -0.295 37.629 38.460 -0.894 0.000 1.031 127 Y HN 0.332 nan 8.280 nan 0.000 0.524 128 T N -3.132 111.436 114.554 0.023 0.000 3.105 128 T HA 0.497 4.845 4.350 -0.002 0.000 0.253 128 T C 0.916 175.861 174.700 0.408 0.000 1.047 128 T CA -0.036 62.215 62.100 0.253 0.000 0.944 128 T CB -0.372 68.638 68.868 0.237 0.000 1.016 128 T HN 0.193 nan 8.240 nan 0.000 0.544 129 A N 2.015 124.988 122.820 0.255 0.000 2.567 129 A HA 0.495 4.814 4.320 -0.002 0.000 0.240 129 A C 0.005 177.767 177.584 0.297 0.000 1.053 129 A CA -0.252 51.907 52.037 0.203 0.000 0.755 129 A CB -0.699 18.358 19.000 0.097 0.000 0.978 129 A HN 0.748 nan 8.150 nan 0.000 0.507 130 F N -0.335 119.666 119.950 0.086 0.000 2.650 130 F HA 0.853 5.379 4.527 -0.002 0.000 0.320 130 F C -0.287 175.527 175.800 0.024 0.000 1.091 130 F CA -0.967 57.053 58.000 0.033 0.000 0.962 130 F CB 1.408 40.423 39.000 0.025 0.000 1.363 130 F HN 0.286 nan 8.300 nan 0.000 0.482 131 T N 2.537 117.164 114.554 0.122 0.000 2.881 131 T HA 0.513 4.862 4.350 -0.002 0.000 0.291 131 T C -0.483 174.256 174.700 0.064 0.000 0.990 131 T CA -0.362 61.729 62.100 -0.015 0.000 0.976 131 T CB 1.141 69.979 68.868 -0.051 0.000 0.970 131 T HN 0.568 nan 8.240 nan 0.000 0.438 132 I N 6.299 126.904 120.570 0.060 0.000 2.379 132 I HA 0.230 4.399 4.170 -0.002 0.000 0.290 132 I C -1.807 174.316 176.117 0.009 0.000 1.063 132 I CA -2.126 59.219 61.300 0.075 0.000 1.351 132 I CB 0.833 38.899 38.000 0.110 0.000 1.410 132 I HN 0.291 nan 8.210 nan 0.000 0.505 133 P HA 0.071 nan 4.420 nan 0.000 0.275 133 P C -0.308 176.990 177.300 -0.002 0.000 1.227 133 P CA -0.322 62.775 63.100 -0.005 0.000 0.781 133 P CB 0.982 32.686 31.700 0.005 0.000 0.906 134 S N 3.096 118.790 115.700 -0.009 0.000 2.603 134 S HA 0.269 4.737 4.470 -0.002 0.000 0.268 134 S C 0.678 175.280 174.600 0.002 0.000 1.317 134 S CA -0.767 57.427 58.200 -0.009 0.000 1.012 134 S CB -0.051 63.139 63.200 -0.017 0.000 0.926 134 S HN 0.328 nan 8.310 nan 0.000 0.539 135 I N 2.500 123.070 120.570 0.000 0.000 2.845 135 I HA -0.090 4.079 4.170 -0.002 0.000 0.296 135 I C 0.592 176.716 176.117 0.012 0.000 1.216 135 I CA 0.358 61.662 61.300 0.007 0.000 1.438 135 I CB -0.424 37.577 38.000 0.002 0.000 1.342 135 I HN 0.741 nan 8.210 nan 0.000 0.577 136 N N 4.380 123.093 118.700 0.022 0.000 2.681 136 N HA -0.276 4.463 4.740 -0.002 0.000 0.250 136 N C 0.405 175.931 175.510 0.025 0.000 1.133 136 N CA 1.142 54.207 53.050 0.025 0.000 0.732 136 N CB -1.410 37.088 38.487 0.018 0.000 1.107 136 N HN 0.755 nan 8.380 nan 0.000 0.559 137 N N -0.531 118.184 118.700 0.025 0.000 2.716 137 N HA -0.232 4.507 4.740 -0.002 0.000 0.250 137 N C 0.796 176.313 175.510 0.011 0.000 1.033 137 N CA 1.432 54.494 53.050 0.020 0.000 0.727 137 N CB -0.440 38.068 38.487 0.036 0.000 0.950 137 N HN 0.677 nan 8.380 nan 0.000 0.541 138 E N -0.899 119.304 120.200 0.005 0.000 2.102 138 E HA 0.066 4.414 4.350 -0.002 0.000 0.190 138 E C 0.750 177.345 176.600 -0.008 0.000 0.971 138 E CA 1.378 57.778 56.400 0.000 0.000 0.821 138 E CB 0.207 29.907 29.700 -0.000 0.000 0.777 138 E HN 0.593 nan 8.360 nan 0.000 0.460 139 T N -1.526 113.020 114.554 -0.013 0.000 2.949 139 T HA 0.579 4.928 4.350 -0.002 0.000 0.287 139 T C -2.633 172.049 174.700 -0.029 0.000 1.034 139 T CA -2.312 59.775 62.100 -0.022 0.000 1.018 139 T CB 1.321 70.174 68.868 -0.025 0.000 1.135 139 T HN -0.246 nan 8.240 nan 0.000 0.532 140 P HA 0.303 nan 4.420 nan 0.000 0.265 140 P C 0.471 177.734 177.300 -0.062 0.000 1.193 140 P CA 0.044 63.113 63.100 -0.051 0.000 0.765 140 P CB 0.076 31.740 31.700 -0.060 0.000 0.823 141 G N 2.254 111.014 108.800 -0.068 0.000 2.580 141 G HA2 0.439 4.398 3.960 -0.002 0.000 0.278 141 G HA3 0.439 4.398 3.960 -0.002 0.000 0.278 141 G C -0.449 174.376 174.900 -0.124 0.000 1.212 141 G CA -0.797 44.258 45.100 -0.076 0.000 0.939 141 G HN 0.434 nan 8.290 nan 0.000 0.513 142 I N 0.505 120.991 120.570 -0.140 0.000 2.325 142 I HA 0.266 4.435 4.170 -0.002 0.000 0.291 142 I C 0.555 176.446 176.117 -0.378 0.000 1.019 142 I CA -0.128 61.015 61.300 -0.262 0.000 1.302 142 I CB 0.972 38.841 38.000 -0.219 0.000 1.401 142 I HN 0.232 nan 8.210 nan 0.000 0.485 143 R N 5.636 125.844 120.500 -0.487 0.000 2.407 143 R HA 0.615 4.954 4.340 -0.002 0.000 0.303 143 R C -1.475 174.399 176.300 -0.710 0.000 0.981 143 R CA -0.610 55.200 56.100 -0.483 0.000 0.905 143 R CB 1.568 31.688 30.300 -0.300 0.000 1.099 143 R HN 0.414 nan 8.270 nan 0.000 0.459 144 Y N 0.421 120.313 120.300 -0.680 0.000 2.576 144 Y HA 0.260 4.809 4.550 -0.002 0.000 0.346 144 Y C -0.202 175.392 175.900 -0.509 0.000 1.018 144 Y CA -0.870 56.816 58.100 -0.689 0.000 1.050 144 Y CB 2.227 40.074 38.460 -1.022 0.000 1.280 144 Y HN 0.470 nan 8.280 nan 0.000 0.474 145 Q N 0.369 120.136 119.800 -0.056 0.000 2.423 145 Q HA 0.507 4.846 4.340 -0.002 0.000 0.278 145 Q C -1.949 174.093 176.000 0.070 0.000 1.097 145 Q CA -1.073 54.778 55.803 0.080 0.000 0.809 145 Q CB 2.143 30.904 28.738 0.038 0.000 1.391 145 Q HN 0.684 nan 8.270 nan 0.000 0.428 146 Y N 1.446 121.822 120.300 0.128 0.000 2.397 146 Y HA 0.114 4.663 4.550 -0.002 0.000 0.335 146 Y C 0.964 176.855 175.900 -0.014 0.000 1.213 146 Y CA 0.521 58.646 58.100 0.041 0.000 1.391 146 Y CB 0.837 39.306 38.460 0.016 0.000 1.293 146 Y HN 0.740 nan 8.280 nan 0.000 0.557 147 N N 0.582 119.331 118.700 0.081 0.000 2.257 147 N HA 0.073 4.812 4.740 -0.002 0.000 0.200 147 N C -0.361 175.197 175.510 0.079 0.000 1.163 147 N CA 0.436 53.517 53.050 0.053 0.000 0.891 147 N CB 0.760 39.250 38.487 0.006 0.000 1.067 147 N HN 0.382 nan 8.380 nan 0.000 0.497 148 V N -1.784 118.204 119.914 0.122 0.000 3.229 148 V HA 0.539 4.658 4.120 -0.002 0.000 0.310 148 V C 0.264 176.445 176.094 0.145 0.000 1.206 148 V CA -1.089 61.297 62.300 0.143 0.000 1.051 148 V CB 1.082 33.003 31.823 0.162 0.000 1.183 148 V HN -0.148 nan 8.190 nan 0.000 0.466 149 L N 2.413 123.736 121.223 0.166 0.000 2.456 149 L HA 0.335 4.674 4.340 -0.002 0.000 0.277 149 L C -2.225 174.714 176.870 0.116 0.000 1.124 149 L CA -1.189 53.692 54.840 0.069 0.000 0.880 149 L CB 0.235 42.305 42.059 0.018 0.000 1.192 149 L HN 0.490 nan 8.230 nan 0.000 0.463 150 P HA 0.065 nan 4.420 nan 0.000 0.271 150 P C -0.839 176.516 177.300 0.091 0.000 1.218 150 P CA -0.367 62.572 63.100 -0.267 0.000 0.780 150 P CB 0.516 31.669 31.700 -0.911 0.000 0.901 151 Q N 0.998 121.004 119.800 0.343 0.000 2.313 151 Q HA 0.370 4.709 4.340 -0.002 0.000 0.266 151 Q C 1.238 177.400 176.000 0.270 0.000 0.989 151 Q CA 0.949 56.946 55.803 0.325 0.000 0.890 151 Q CB 0.046 28.890 28.738 0.177 0.000 1.200 151 Q HN 0.838 nan 8.270 nan 0.000 0.396 152 G N 2.262 111.195 108.800 0.222 0.000 2.213 152 G HA2 -0.263 3.695 3.960 -0.002 0.000 0.236 152 G HA3 -0.263 3.695 3.960 -0.002 0.000 0.236 152 G C -0.471 174.543 174.900 0.190 0.000 0.991 152 G CA -0.155 45.090 45.100 0.241 0.000 0.629 152 G HN 0.670 nan 8.290 nan 0.000 0.517 153 W N 2.319 123.440 121.300 -0.297 0.000 2.202 153 W HA 0.605 5.264 4.660 -0.002 0.000 0.332 153 W C 1.423 177.777 176.519 -0.277 0.000 1.263 153 W CA -0.048 57.007 57.345 -0.483 0.000 1.223 153 W CB 0.825 29.771 29.460 -0.856 0.000 1.128 153 W HN 0.099 nan 8.180 nan 0.000 0.573 154 K N 2.499 122.380 120.400 -0.866 0.000 2.089 154 K HA -0.178 4.141 4.320 -0.002 0.000 0.210 154 K C 1.704 177.666 176.600 -1.062 0.000 1.048 154 K CA 2.009 57.842 56.287 -0.758 0.000 0.926 154 K CB -0.669 31.500 32.500 -0.551 0.000 0.714 154 K HN 0.753 nan 8.250 nan 0.000 0.448 155 G N -0.824 106.739 108.800 -2.062 0.000 2.985 155 G HA2 -0.040 3.919 3.960 -0.002 0.000 0.209 155 G HA3 -0.040 3.919 3.960 -0.002 0.000 0.209 155 G C 1.100 175.283 174.900 -1.195 0.000 1.165 155 G CA 0.080 43.848 45.100 -2.220 0.000 0.776 155 G HN 0.220 nan 8.290 nan 0.000 0.541 156 S N 1.535 116.789 115.700 -0.743 0.000 2.371 156 S HA -0.025 4.443 4.470 -0.002 0.000 0.224 156 S C -0.048 174.202 174.600 -0.584 0.000 1.029 156 S CA 0.944 58.774 58.200 -0.617 0.000 0.978 156 S CB -0.561 62.078 63.200 -0.936 0.000 0.833 156 S HN 0.256 nan 8.310 nan 0.000 0.466 157 P HA -0.042 nan 4.420 nan 0.000 0.215 157 P C 1.323 178.567 177.300 -0.093 0.000 1.153 157 P CA 1.456 64.485 63.100 -0.119 0.000 0.853 157 P CB -0.079 31.561 31.700 -0.100 0.000 0.788 158 A N -1.206 121.461 122.820 -0.254 0.000 1.930 158 A HA -0.068 4.251 4.320 -0.002 0.000 0.215 158 A C 2.184 179.689 177.584 -0.132 0.000 1.176 158 A CA 1.050 52.978 52.037 -0.182 0.000 0.632 158 A CB -1.399 17.454 19.000 -0.245 0.000 0.819 158 A HN 0.097 nan 8.150 nan 0.000 0.445 159 I N -1.855 118.584 120.570 -0.219 0.000 2.353 159 I HA -0.148 4.021 4.170 -0.002 0.000 0.248 159 I C 2.262 178.352 176.117 -0.046 0.000 1.119 159 I CA 0.977 62.211 61.300 -0.110 0.000 1.417 159 I CB -0.247 37.690 38.000 -0.106 0.000 1.078 159 I HN 0.426 nan 8.210 nan 0.000 0.421 160 F N 1.785 121.666 119.950 -0.116 0.000 2.069 160 F HA -0.290 4.236 4.527 -0.002 0.000 0.298 160 F C 2.661 178.444 175.800 -0.029 0.000 1.113 160 F CA 1.762 59.744 58.000 -0.030 0.000 1.214 160 F CB -0.250 38.791 39.000 0.069 0.000 0.978 160 F HN 0.013 nan 8.300 nan 0.000 0.474 161 Q N -0.117 119.670 119.800 -0.023 0.000 2.084 161 Q HA -0.192 4.147 4.340 -0.002 0.000 0.202 161 Q C 2.591 178.494 176.000 -0.162 0.000 0.978 161 Q CA 1.665 57.409 55.803 -0.098 0.000 0.844 161 Q CB -1.140 27.610 28.738 0.021 0.000 0.898 161 Q HN 0.479 nan 8.270 nan 0.000 0.426 162 S N 0.076 115.716 115.700 -0.100 0.000 2.368 162 S HA -0.118 4.351 4.470 -0.002 0.000 0.225 162 S C 2.102 176.609 174.600 -0.155 0.000 1.030 162 S CA 1.497 59.650 58.200 -0.079 0.000 0.999 162 S CB 0.005 63.193 63.200 -0.021 0.000 0.844 162 S HN 0.331 nan 8.310 nan 0.000 0.459 163 S N 1.125 116.692 115.700 -0.221 0.000 2.368 163 S HA -0.085 4.384 4.470 -0.002 0.000 0.225 163 S C 1.813 176.213 174.600 -0.333 0.000 1.030 163 S CA 1.624 59.673 58.200 -0.251 0.000 0.999 163 S CB -0.443 62.610 63.200 -0.245 0.000 0.844 163 S HN 0.614 nan 8.310 nan 0.000 0.459 164 M N 1.954 121.270 119.600 -0.472 0.000 2.086 164 M HA -0.087 4.392 4.480 -0.002 0.000 0.261 164 M C 2.016 178.168 176.300 -0.247 0.000 1.067 164 M CA 1.740 56.794 55.300 -0.411 0.000 1.116 164 M CB -1.331 30.969 32.600 -0.500 0.000 1.348 164 M HN 0.150 nan 8.290 nan 0.000 0.407 165 T N 0.336 114.773 114.554 -0.195 0.000 2.720 165 T HA -0.215 4.134 4.350 -0.002 0.000 0.268 165 T C 1.828 176.452 174.700 -0.126 0.000 1.037 165 T CA 1.955 63.984 62.100 -0.119 0.000 1.144 165 T CB -0.307 68.518 68.868 -0.072 0.000 0.864 165 T HN 0.436 nan 8.240 nan 0.000 0.444 166 K N 0.368 120.671 120.400 -0.162 0.000 2.026 166 K HA -0.047 4.272 4.320 -0.002 0.000 0.208 166 K C 2.131 178.567 176.600 -0.273 0.000 1.048 166 K CA 1.016 57.192 56.287 -0.185 0.000 0.929 166 K CB -0.176 32.212 32.500 -0.187 0.000 0.713 166 K HN 0.148 nan 8.250 nan 0.000 0.439 167 I N 1.378 121.732 120.570 -0.359 0.000 2.208 167 I HA -0.267 3.901 4.170 -0.002 0.000 0.245 167 I C 2.092 178.104 176.117 -0.176 0.000 1.097 167 I CA 1.472 62.465 61.300 -0.513 0.000 1.363 167 I CB -0.897 36.822 38.000 -0.469 0.000 1.051 167 I HN 0.273 nan 8.210 nan 0.000 0.413 168 L N -0.112 121.058 121.223 -0.088 0.000 2.313 168 L HA -0.138 4.201 4.340 -0.002 0.000 0.214 168 L C 2.422 179.319 176.870 0.045 0.000 1.119 168 L CA 0.485 55.346 54.840 0.035 0.000 0.809 168 L CB -0.361 41.700 42.059 0.003 0.000 0.933 168 L HN 0.141 nan 8.230 nan 0.000 0.449 169 E N 0.685 120.873 120.200 -0.022 0.000 2.070 169 E HA -0.188 4.161 4.350 -0.002 0.000 0.197 169 E C -0.544 176.046 176.600 -0.017 0.000 1.004 169 E CA 1.698 58.085 56.400 -0.021 0.000 0.805 169 E CB -1.084 28.588 29.700 -0.047 0.000 0.744 169 E HN 0.281 nan 8.360 nan 0.000 0.451 170 P HA -0.127 nan 4.420 nan 0.000 0.215 170 P C 1.293 178.543 177.300 -0.084 0.000 1.157 170 P CA 1.082 64.166 63.100 -0.027 0.000 0.868 170 P CB -0.214 31.511 31.700 0.041 0.000 0.788 171 F N 0.584 120.355 119.950 -0.298 0.000 2.102 171 F HA -0.186 4.339 4.527 -0.003 0.000 0.298 171 F C 2.324 178.040 175.800 -0.140 0.000 1.105 171 F CA 1.523 59.343 58.000 -0.301 0.000 1.239 171 F CB -0.227 38.560 39.000 -0.356 0.000 0.991 171 F HN -0.286 nan 8.300 nan 0.000 0.474 172 R N 0.147 120.645 120.500 -0.003 0.000 2.091 172 R HA -0.205 4.134 4.340 -0.002 0.000 0.238 172 R C 2.279 178.506 176.300 -0.122 0.000 1.136 172 R CA 1.793 57.863 56.100 -0.049 0.000 0.959 172 R CB -0.438 29.875 30.300 0.022 0.000 0.856 172 R HN 0.239 nan 8.270 nan 0.000 0.437 173 K N 0.661 121.001 120.400 -0.101 0.000 2.148 173 K HA -0.128 4.191 4.320 -0.002 0.000 0.204 173 K C 1.586 178.112 176.600 -0.123 0.000 1.050 173 K CA 1.215 57.450 56.287 -0.088 0.000 0.942 173 K CB 0.290 32.755 32.500 -0.058 0.000 0.724 173 K HN 0.203 nan 8.250 nan 0.000 0.446 174 Q N -0.427 119.257 119.800 -0.194 0.000 2.319 174 Q HA 0.083 4.421 4.340 -0.002 0.000 0.202 174 Q C -0.282 175.548 176.000 -0.284 0.000 0.896 174 Q CA 0.273 55.950 55.803 -0.209 0.000 0.942 174 Q CB 0.725 29.337 28.738 -0.209 0.000 1.083 174 Q HN 0.252 nan 8.270 nan 0.000 0.510 175 N N 0.976 119.474 118.700 -0.337 0.000 2.664 175 N HA 0.117 4.855 4.740 -0.002 0.000 0.287 175 N C -2.261 173.135 175.510 -0.191 0.000 1.869 175 N CA -0.728 52.116 53.050 -0.344 0.000 0.832 175 N CB 1.361 39.435 38.487 -0.689 0.000 1.293 175 N HN 0.050 nan 8.380 nan 0.000 0.498 176 P HA -0.062 nan 4.420 nan 0.000 0.220 176 P C 0.553 177.829 177.300 -0.040 0.000 1.148 176 P CA 1.103 64.164 63.100 -0.065 0.000 0.803 176 P CB 0.499 32.169 31.700 -0.052 0.000 0.782 177 D N -0.276 120.098 120.400 -0.043 0.000 2.350 177 D HA 0.029 4.668 4.640 -0.002 0.000 0.216 177 D C 1.014 177.315 176.300 0.003 0.000 0.968 177 D CA 0.641 54.630 54.000 -0.018 0.000 0.894 177 D CB -0.213 40.577 40.800 -0.017 0.000 0.909 177 D HN 0.292 nan 8.370 nan 0.000 0.520 178 I N 0.234 120.805 120.570 0.001 0.000 2.498 178 I HA 0.211 4.380 4.170 -0.002 0.000 0.301 178 I C -0.186 175.971 176.117 0.068 0.000 0.984 178 I CA -0.764 60.567 61.300 0.052 0.000 1.204 178 I CB 2.453 40.498 38.000 0.076 0.000 1.362 178 I HN -0.369 nan 8.210 nan 0.000 0.471 179 V N 7.118 127.085 119.914 0.089 0.000 2.555 179 V HA 0.550 4.669 4.120 -0.002 0.000 0.302 179 V C -0.400 175.761 176.094 0.112 0.000 1.038 179 V CA -0.424 61.924 62.300 0.080 0.000 0.887 179 V CB 2.056 33.903 31.823 0.040 0.000 0.991 179 V HN 0.444 nan 8.190 nan 0.000 0.434 180 I N 5.615 126.258 120.570 0.121 0.000 2.569 180 I HA 0.402 4.571 4.170 -0.002 0.000 0.290 180 I C -1.723 174.501 176.117 0.178 0.000 1.088 180 I CA -0.757 60.625 61.300 0.136 0.000 1.047 180 I CB 2.187 40.259 38.000 0.119 0.000 1.237 180 I HN 0.629 nan 8.210 nan 0.000 0.421 181 Y N 5.512 125.846 120.300 0.057 0.000 2.350 181 Y HA 0.452 5.001 4.550 -0.002 0.000 0.338 181 Y C -0.847 175.118 175.900 0.108 0.000 0.961 181 Y CA -0.617 57.529 58.100 0.076 0.000 1.100 181 Y CB 1.572 40.051 38.460 0.031 0.000 1.179 181 Y HN 0.482 nan 8.280 nan 0.000 0.454 182 Q N 5.923 125.453 119.800 -0.451 0.000 2.331 182 Q HA 0.269 4.607 4.340 -0.002 0.000 0.257 182 Q C -1.843 173.816 176.000 -0.568 0.000 0.957 182 Q CA -0.527 55.047 55.803 -0.381 0.000 0.923 182 Q CB 1.629 30.244 28.738 -0.205 0.000 1.212 182 Q HN 0.646 nan 8.270 nan 0.000 0.443 183 Y N 4.002 124.069 120.300 -0.389 0.000 2.329 183 Y HA 0.300 4.849 4.550 -0.002 0.000 0.328 183 Y C 0.215 176.114 175.900 -0.002 0.000 0.992 183 Y CA -0.666 57.365 58.100 -0.115 0.000 1.151 183 Y CB 0.635 39.265 38.460 0.283 0.000 1.150 183 Y HN 0.859 nan 8.280 nan 0.000 0.450 184 M N 1.403 120.612 119.600 -0.651 0.000 7.319 184 M HA -0.391 4.088 4.480 -0.002 0.000 0.321 184 M C 0.389 176.552 176.300 -0.229 0.000 0.480 184 M CA 2.383 57.401 55.300 -0.470 0.000 1.311 184 M CB -0.868 31.355 32.600 -0.628 0.000 0.421 184 M HN 0.762 nan 8.290 nan 0.000 0.811 185 D N 0.115 120.334 120.400 -0.303 0.000 2.427 185 D HA 0.273 4.912 4.640 -0.002 0.000 0.224 185 D C -0.685 175.517 176.300 -0.162 0.000 1.157 185 D CA 0.077 53.923 54.000 -0.257 0.000 0.828 185 D CB -0.203 40.342 40.800 -0.426 0.000 0.974 185 D HN 0.249 nan 8.370 nan 0.000 0.498 186 D N 0.269 120.559 120.400 -0.183 0.000 2.252 186 D HA 0.469 5.108 4.640 -0.002 0.000 0.245 186 D C -0.278 175.786 176.300 -0.393 0.000 1.009 186 D CA -0.435 53.377 54.000 -0.313 0.000 0.870 186 D CB 1.989 42.545 40.800 -0.406 0.000 1.251 186 D HN 0.036 nan 8.370 nan 0.000 0.460 187 L N 2.040 122.987 121.223 -0.461 0.000 2.385 187 L HA 0.437 4.776 4.340 -0.002 0.000 0.273 187 L C -1.105 175.480 176.870 -0.475 0.000 0.990 187 L CA -0.933 53.688 54.840 -0.365 0.000 0.821 187 L CB 1.204 43.156 42.059 -0.179 0.000 1.279 187 L HN 0.293 nan 8.230 nan 0.000 0.412 188 Y N 1.951 122.219 120.300 -0.053 0.000 2.377 188 Y HA 0.631 5.180 4.550 -0.002 0.000 0.339 188 Y C -0.137 175.741 175.900 -0.035 0.000 1.011 188 Y CA -1.113 56.922 58.100 -0.108 0.000 1.093 188 Y CB 2.144 40.484 38.460 -0.199 0.000 1.201 188 Y HN 0.118 nan 8.280 nan 0.000 0.455 189 V N 2.223 122.222 119.914 0.142 0.000 2.483 189 V HA 0.757 4.876 4.120 -0.002 0.000 0.297 189 V C 0.096 176.315 176.094 0.208 0.000 1.027 189 V CA -0.837 61.556 62.300 0.154 0.000 0.855 189 V CB 1.468 33.366 31.823 0.126 0.000 0.995 189 V HN 0.965 nan 8.190 nan 0.000 0.424 190 G N 2.621 111.514 108.800 0.156 0.000 2.420 190 G HA2 0.759 4.718 3.960 -0.002 0.000 0.331 190 G HA3 0.759 4.718 3.960 -0.002 0.000 0.331 190 G C -0.421 174.565 174.900 0.145 0.000 1.168 190 G CA -0.257 44.915 45.100 0.120 0.000 0.936 190 G HN 0.994 nan 8.290 nan 0.000 0.479 191 S N -0.195 115.568 115.700 0.105 0.000 2.588 191 S HA 0.488 4.957 4.470 -0.002 0.000 0.275 191 S C -0.878 173.734 174.600 0.020 0.000 1.130 191 S CA -0.856 57.410 58.200 0.110 0.000 0.855 191 S CB 2.509 65.883 63.200 0.290 0.000 1.116 191 S HN 0.338 nan 8.310 nan 0.000 0.472 192 D N 0.890 121.307 120.400 0.029 0.000 2.491 192 D HA 0.307 4.946 4.640 -0.002 0.000 0.228 192 D C -0.454 175.859 176.300 0.023 0.000 1.183 192 D CA 0.016 54.022 54.000 0.009 0.000 0.827 192 D CB 0.042 40.845 40.800 0.006 0.000 0.989 192 D HN 0.212 nan 8.370 nan 0.000 0.494 193 L N 0.823 122.075 121.223 0.048 0.000 2.375 193 L HA 0.265 4.604 4.340 -0.002 0.000 0.268 193 L C 0.751 177.650 176.870 0.048 0.000 1.058 193 L CA -0.676 54.205 54.840 0.068 0.000 0.803 193 L CB 0.858 42.993 42.059 0.128 0.000 1.212 193 L HN -0.180 nan 8.230 nan 0.000 0.451 194 E N 0.596 120.828 120.200 0.054 0.000 2.374 194 E HA 0.234 4.582 4.350 -0.002 0.000 0.260 194 E C 1.317 177.964 176.600 0.078 0.000 1.101 194 E CA -0.184 56.242 56.400 0.043 0.000 0.907 194 E CB 0.462 30.184 29.700 0.036 0.000 1.014 194 E HN 0.357 nan 8.360 nan 0.000 0.427 195 I N 1.017 121.624 120.570 0.062 0.000 2.290 195 I HA -0.325 3.844 4.170 -0.002 0.000 0.253 195 I C 1.858 178.052 176.117 0.127 0.000 1.112 195 I CA 1.735 63.092 61.300 0.095 0.000 1.377 195 I CB -0.548 37.491 38.000 0.066 0.000 1.060 195 I HN 0.688 nan 8.210 nan 0.000 0.428 196 G N 0.200 109.056 108.800 0.093 0.000 2.424 196 G HA2 -0.198 3.761 3.960 -0.002 0.000 0.214 196 G HA3 -0.198 3.761 3.960 -0.002 0.000 0.214 196 G C 1.513 176.465 174.900 0.087 0.000 1.202 196 G CA 0.271 45.418 45.100 0.079 0.000 0.793 196 G HN 0.413 nan 8.290 nan 0.000 0.534 197 Q N -0.687 119.167 119.800 0.090 0.000 2.230 197 Q HA -0.055 4.284 4.340 -0.002 0.000 0.202 197 Q C 2.182 178.247 176.000 0.107 0.000 0.963 197 Q CA 1.174 57.026 55.803 0.082 0.000 0.866 197 Q CB -0.161 28.620 28.738 0.071 0.000 0.931 197 Q HN 0.749 nan 8.270 nan 0.000 0.452 198 H N 0.821 119.922 119.070 0.052 0.000 2.357 198 H HA -0.033 4.523 4.556 0.000 0.000 0.301 198 H C 2.003 177.374 175.328 0.072 0.000 1.082 198 H CA 1.467 57.554 56.048 0.065 0.000 1.342 198 H CB 0.252 30.052 29.762 0.063 0.000 1.389 198 H HN -0.079 nan 8.280 nan 0.000 0.511 199 R N -0.469 120.064 120.500 0.055 0.000 2.120 199 R HA -0.052 4.287 4.340 -0.002 0.000 0.234 199 R C 2.218 178.508 176.300 -0.017 0.000 1.123 199 R CA 1.785 57.888 56.100 0.005 0.000 0.975 199 R CB -0.439 29.905 30.300 0.073 0.000 0.866 199 R HN 0.382 nan 8.270 nan 0.000 0.446 200 T N 0.274 114.835 114.554 0.011 0.000 2.896 200 T HA -0.013 4.336 4.350 -0.002 0.000 0.263 200 T C 1.478 176.193 174.700 0.025 0.000 1.050 200 T CA 0.764 62.878 62.100 0.023 0.000 1.140 200 T CB 0.016 68.907 68.868 0.038 0.000 0.877 200 T HN 0.003 nan 8.240 nan 0.000 0.457 201 K N 1.256 121.663 120.400 0.012 0.000 2.155 201 K HA 0.210 4.529 4.320 -0.002 0.000 0.203 201 K C 2.057 178.689 176.600 0.053 0.000 1.052 201 K CA 0.646 56.973 56.287 0.067 0.000 0.948 201 K CB -0.575 31.965 32.500 0.068 0.000 0.728 201 K HN 0.395 nan 8.250 nan 0.000 0.448 202 I N 1.008 121.524 120.570 -0.091 0.000 2.361 202 I HA -0.223 3.946 4.170 -0.002 0.000 0.251 202 I C 2.019 178.104 176.117 -0.054 0.000 1.133 202 I CA 1.051 62.284 61.300 -0.111 0.000 1.413 202 I CB -0.051 37.849 38.000 -0.165 0.000 1.073 202 I HN 0.113 nan 8.210 nan 0.000 0.424 203 E N 0.844 121.035 120.200 -0.015 0.000 2.112 203 E HA -0.151 4.198 4.350 -0.002 0.000 0.190 203 E C 1.998 178.614 176.600 0.027 0.000 0.979 203 E CA 0.871 57.275 56.400 0.005 0.000 0.814 203 E CB -0.065 29.645 29.700 0.018 0.000 0.762 203 E HN 0.568 nan 8.360 nan 0.000 0.460 204 E N 0.988 121.231 120.200 0.070 0.000 2.153 204 E HA -0.140 4.209 4.350 -0.002 0.000 0.194 204 E C 2.138 178.803 176.600 0.109 0.000 0.988 204 E CA 0.437 56.918 56.400 0.135 0.000 0.811 204 E CB -0.028 29.805 29.700 0.220 0.000 0.746 204 E HN 0.131 nan 8.360 nan 0.000 0.466 205 L N 1.371 122.551 121.223 -0.072 0.000 2.044 205 L HA -0.096 4.242 4.340 -0.002 0.000 0.205 205 L C 2.232 178.978 176.870 -0.206 0.000 1.075 205 L CA 1.492 56.026 54.840 -0.510 0.000 0.747 205 L CB -0.331 41.273 42.059 -0.759 0.000 0.903 205 L HN 0.067 nan 8.230 nan 0.000 0.435 206 R N -0.545 119.889 120.500 -0.111 0.000 2.083 206 R HA -0.200 4.139 4.340 -0.002 0.000 0.237 206 R C 2.181 178.474 176.300 -0.013 0.000 1.137 206 R CA 1.388 57.456 56.100 -0.054 0.000 0.951 206 R CB -0.271 30.009 30.300 -0.033 0.000 0.851 206 R HN 0.478 nan 8.270 nan 0.000 0.434 207 Q N -0.272 119.539 119.800 0.019 0.000 2.124 207 Q HA -0.189 4.150 4.340 -0.002 0.000 0.202 207 Q C 1.946 177.991 176.000 0.075 0.000 0.977 207 Q CA 1.626 57.454 55.803 0.042 0.000 0.850 207 Q CB -0.316 28.460 28.738 0.063 0.000 0.901 207 Q HN 0.515 nan 8.270 nan 0.000 0.429 208 H N -0.296 118.790 119.070 0.025 0.000 2.428 208 H HA -0.050 4.505 4.556 -0.002 0.000 0.296 208 H C 1.559 176.996 175.328 0.181 0.000 1.062 208 H CA 0.956 57.073 56.048 0.114 0.000 1.350 208 H CB 0.117 29.936 29.762 0.094 0.000 1.403 208 H HN 0.052 nan 8.280 nan 0.000 0.533 209 L N -0.295 120.905 121.223 -0.039 0.000 2.131 209 L HA -0.027 4.312 4.340 -0.002 0.000 0.206 209 L C 2.124 178.992 176.870 -0.003 0.000 1.087 209 L CA 0.887 55.699 54.840 -0.047 0.000 0.767 209 L CB -0.863 41.171 42.059 -0.042 0.000 0.917 209 L HN 0.359 nan 8.230 nan 0.000 0.441 210 L N -0.680 120.532 121.223 -0.019 0.000 2.217 210 L HA -0.075 4.264 4.340 -0.002 0.000 0.211 210 L C 2.578 179.406 176.870 -0.070 0.000 1.107 210 L CA 1.368 56.193 54.840 -0.025 0.000 0.783 210 L CB -0.623 41.423 42.059 -0.023 0.000 0.919 210 L HN 0.167 nan 8.230 nan 0.000 0.442 211 R N -1.933 118.497 120.500 -0.117 0.000 2.193 211 R HA -0.197 4.142 4.340 -0.002 0.000 0.229 211 R C 0.987 176.995 176.300 -0.486 0.000 1.110 211 R CA 1.600 57.531 56.100 -0.280 0.000 0.988 211 R CB -0.186 29.939 30.300 -0.292 0.000 0.871 211 R HN 0.465 nan 8.270 nan 0.000 0.458 212 W N -1.423 119.778 121.300 -0.164 0.000 2.991 212 W HA 0.313 4.971 4.660 -0.003 0.000 0.391 212 W C 0.906 177.376 176.519 -0.082 0.000 1.054 212 W CA 0.386 57.646 57.345 -0.142 0.000 1.856 212 W CB 1.222 30.549 29.460 -0.221 0.000 1.132 212 W HN 0.230 nan 8.180 nan 0.000 0.601 213 G N 0.326 109.169 108.800 0.071 0.000 2.179 213 G HA2 -0.242 3.717 3.960 -0.002 0.000 0.220 213 G HA3 -0.242 3.717 3.960 -0.002 0.000 0.220 213 G C -0.254 174.690 174.900 0.074 0.000 0.990 213 G CA -0.490 44.650 45.100 0.066 0.000 0.646 213 G HN 0.082 nan 8.290 nan 0.000 0.517 214 L N 2.651 123.916 121.223 0.069 0.000 2.298 214 L HA 0.557 4.896 4.340 -0.002 0.000 0.284 214 L C 0.858 177.744 176.870 0.027 0.000 1.013 214 L CA -0.388 54.489 54.840 0.063 0.000 0.824 214 L CB 1.626 43.723 42.059 0.063 0.000 1.221 214 L HN 0.314 nan 8.230 nan 0.000 0.418 215 T N -0.585 113.982 114.554 0.021 0.000 2.909 215 T HA 0.676 5.025 4.350 -0.002 0.000 0.289 215 T C 0.170 174.862 174.700 -0.012 0.000 1.005 215 T CA -0.534 61.565 62.100 -0.001 0.000 1.084 215 T CB 1.709 70.575 68.868 -0.004 0.000 0.975 215 T HN 0.660 nan 8.240 nan 0.000 0.509 216 T N -0.810 113.731 114.554 -0.022 0.000 2.841 216 T HA 0.669 5.018 4.350 -0.002 0.000 0.296 216 T C -3.210 171.475 174.700 -0.025 0.000 1.166 216 T CA -1.923 60.161 62.100 -0.027 0.000 1.007 216 T CB 0.788 69.637 68.868 -0.030 0.000 1.253 216 T HN 0.438 nan 8.240 nan 0.000 0.511 217 P HA 0.207 nan 4.420 nan 0.000 0.268 217 P C -0.180 177.144 177.300 0.041 0.000 1.204 217 P CA -0.190 62.917 63.100 0.012 0.000 0.768 217 P CB 0.272 32.013 31.700 0.068 0.000 0.842 218 D N 2.300 122.731 120.400 0.052 0.000 2.362 218 D HA -0.041 4.598 4.640 -0.002 0.000 0.238 218 D C 0.865 177.235 176.300 0.117 0.000 1.212 218 D CA -0.344 53.704 54.000 0.080 0.000 0.902 218 D CB 0.888 41.743 40.800 0.092 0.000 1.180 218 D HN 0.224 nan 8.370 nan 0.000 0.445 219 K N -0.038 120.412 120.400 0.084 0.000 2.442 219 K HA -0.218 4.101 4.320 -0.002 0.000 0.200 219 K C 1.865 178.513 176.600 0.080 0.000 1.045 219 K CA 1.367 57.699 56.287 0.074 0.000 0.937 219 K CB -0.000 32.533 32.500 0.056 0.000 0.757 219 K HN 0.468 nan 8.250 nan 0.000 0.474 220 K N -1.210 119.253 120.400 0.104 0.000 2.284 220 K HA -0.045 4.273 4.320 -0.002 0.000 0.198 220 K C 1.024 177.597 176.600 -0.044 0.000 1.048 220 K CA 0.707 57.014 56.287 0.034 0.000 0.987 220 K CB 0.162 32.679 32.500 0.029 0.000 0.800 220 K HN 0.300 nan 8.250 nan 0.000 0.486 221 H N 0.602 119.695 119.070 0.038 0.000 2.551 221 H HA 0.132 4.687 4.556 -0.002 0.000 0.271 221 H C -0.239 175.121 175.328 0.054 0.000 0.984 221 H CA -0.071 56.001 56.048 0.040 0.000 1.164 221 H CB 0.520 30.298 29.762 0.027 0.000 1.437 221 H HN 0.285 nan 8.280 nan 0.000 0.550 222 Q N 1.907 121.793 119.800 0.143 0.000 2.293 222 Q HA 0.123 4.462 4.340 -0.002 0.000 0.263 222 Q C 0.072 176.167 176.000 0.158 0.000 1.002 222 Q CA 0.056 55.941 55.803 0.137 0.000 0.910 222 Q CB 1.353 30.168 28.738 0.127 0.000 1.185 222 Q HN 0.137 nan 8.270 nan 0.000 0.401 223 K N 2.420 122.939 120.400 0.199 0.000 2.380 223 K HA -0.031 4.288 4.320 -0.002 0.000 0.267 223 K C 0.059 176.849 176.600 0.317 0.000 0.990 223 K CA 0.172 56.606 56.287 0.246 0.000 0.946 223 K CB 0.354 33.041 32.500 0.311 0.000 0.937 223 K HN 0.598 nan 8.250 nan 0.000 0.491 224 E N 2.293 122.592 120.200 0.165 0.000 2.313 224 E HA 0.272 4.620 4.350 -0.002 0.000 0.272 224 E C -2.549 173.845 176.600 -0.343 0.000 1.038 224 E CA -2.396 54.015 56.400 0.019 0.000 0.863 224 E CB 0.447 30.135 29.700 -0.019 0.000 1.060 224 E HN 0.167 nan 8.360 nan 0.000 0.402 225 P HA 0.088 nan 4.420 nan 0.000 0.269 225 P C -2.309 174.692 177.300 -0.497 0.000 1.215 225 P CA -0.890 61.571 63.100 -1.065 0.000 0.780 225 P CB -0.147 31.210 31.700 -0.571 0.000 0.898 226 P HA 0.253 nan 4.420 nan 0.000 0.278 226 P C -1.094 175.881 177.300 -0.542 0.000 1.238 226 P CA -0.041 62.660 63.100 -0.666 0.000 0.794 226 P CB 0.480 31.675 31.700 -0.842 0.000 0.955 227 F N 1.026 120.953 119.950 -0.038 0.000 2.432 227 F HA 0.330 4.855 4.527 -0.002 0.000 0.329 227 F C 0.586 176.449 175.800 0.105 0.000 1.076 227 F CA -1.121 56.913 58.000 0.056 0.000 1.018 227 F CB 0.551 39.592 39.000 0.069 0.000 1.201 227 F HN -0.018 nan 8.300 nan 0.000 0.489 228 L N 1.757 123.182 121.223 0.336 0.000 2.292 228 L HA 0.281 4.620 4.340 -0.002 0.000 0.284 228 L C -1.040 176.069 176.870 0.398 0.000 1.065 228 L CA -0.509 54.508 54.840 0.295 0.000 0.806 228 L CB 0.677 42.853 42.059 0.194 0.000 1.175 228 L HN 0.879 nan 8.230 nan 0.000 0.431 229 W N 6.169 127.561 121.300 0.153 0.000 3.544 229 W HA 0.366 5.025 4.660 -0.001 0.000 0.326 229 W C -0.113 176.483 176.519 0.129 0.000 1.137 229 W CA -0.725 56.687 57.345 0.111 0.000 1.252 229 W CB 0.951 30.414 29.460 0.004 0.000 1.302 229 W HN 0.450 nan 8.180 nan 0.000 0.467 230 M N 5.332 124.537 119.600 -0.658 0.000 2.333 230 M HA -0.226 4.253 4.480 -0.002 0.000 0.199 230 M C 1.162 177.095 176.300 -0.612 0.000 0.376 230 M CA 2.147 56.971 55.300 -0.793 0.000 0.440 230 M CB -1.943 29.813 32.600 -1.407 0.000 1.506 230 M HN 1.618 nan 8.290 nan 0.000 0.889 231 G N -1.651 106.898 108.800 -0.418 0.000 2.175 231 G HA2 -0.286 3.673 3.960 -0.002 0.000 0.244 231 G HA3 -0.286 3.673 3.960 -0.002 0.000 0.244 231 G C -0.374 174.454 174.900 -0.120 0.000 0.982 231 G CA 0.332 45.176 45.100 -0.426 0.000 0.641 231 G HN 0.542 nan 8.290 nan 0.000 0.527 232 Y N 0.143 120.584 120.300 0.236 0.000 2.487 232 Y HA 0.680 5.229 4.550 -0.001 0.000 0.337 232 Y C 0.439 176.524 175.900 0.308 0.000 1.076 232 Y CA -1.327 56.975 58.100 0.337 0.000 1.115 232 Y CB 1.440 40.085 38.460 0.307 0.000 1.235 232 Y HN 0.123 nan 8.280 nan 0.000 0.468 233 E N 2.652 123.151 120.200 0.500 0.000 2.073 233 E HA 0.341 4.690 4.350 -0.002 0.000 0.269 233 E C -1.648 175.155 176.600 0.338 0.000 0.917 233 E CA -0.597 56.001 56.400 0.330 0.000 0.757 233 E CB 0.544 30.395 29.700 0.252 0.000 1.111 233 E HN 0.420 nan 8.360 nan 0.000 0.410 234 L N 5.429 126.816 121.223 0.273 0.000 2.275 234 L HA 0.355 4.694 4.340 -0.002 0.000 0.288 234 L C 0.245 177.142 176.870 0.045 0.000 1.046 234 L CA -0.249 54.770 54.840 0.298 0.000 0.805 234 L CB 0.619 42.874 42.059 0.326 0.000 1.193 234 L HN 0.624 nan 8.230 nan 0.000 0.426 235 H N 4.026 123.248 119.070 0.253 0.000 2.651 235 H HA 0.300 4.855 4.556 -0.002 0.000 0.353 235 H C -1.623 173.856 175.328 0.251 0.000 1.178 235 H CA -1.691 54.446 56.048 0.149 0.000 1.224 235 H CB 1.671 31.474 29.762 0.067 0.000 1.702 235 H HN 0.272 nan 8.280 nan 0.000 0.550 236 P HA -0.137 nan 4.420 nan 0.000 0.219 236 P C 0.748 178.239 177.300 0.317 0.000 1.146 236 P CA 1.479 64.705 63.100 0.210 0.000 0.808 236 P CB 0.313 32.076 31.700 0.106 0.000 0.779 237 D N -2.179 118.431 120.400 0.350 0.000 2.500 237 D HA 0.046 4.685 4.640 -0.002 0.000 0.217 237 D C 0.398 176.798 176.300 0.167 0.000 1.159 237 D CA 0.121 54.309 54.000 0.313 0.000 0.828 237 D CB 0.325 41.191 40.800 0.110 0.000 1.039 237 D HN 0.230 nan 8.370 nan 0.000 0.512 238 K N -0.695 119.768 120.400 0.106 0.000 2.578 238 K HA 0.489 4.808 4.320 -0.002 0.000 0.287 238 K C -1.425 175.185 176.600 0.017 0.000 1.010 238 K CA -1.008 55.149 56.287 -0.218 0.000 0.889 238 K CB 1.696 33.968 32.500 -0.379 0.000 1.514 238 K HN 0.119 nan 8.250 nan 0.000 0.424 239 W N 0.305 121.506 121.300 -0.165 0.000 3.107 239 W HA 0.683 5.340 4.660 -0.004 0.000 0.331 239 W C -1.804 174.780 176.519 0.109 0.000 1.204 239 W CA -0.848 56.525 57.345 0.046 0.000 1.184 239 W CB 1.508 30.957 29.460 -0.018 0.000 1.421 239 W HN 0.807 nan 8.180 nan 0.000 0.544 240 T N 0.375 115.086 114.554 0.262 0.000 2.731 240 T HA 0.524 4.873 4.350 -0.002 0.000 0.300 240 T C -0.759 174.247 174.700 0.510 0.000 1.283 240 T CA -0.211 61.905 62.100 0.026 0.000 1.005 240 T CB 1.083 69.968 68.868 0.028 0.000 1.420 240 T HN 0.870 nan 8.240 nan 0.000 0.503 241 V N 1.667 121.834 119.914 0.422 0.000 2.834 241 V HA 0.594 4.713 4.120 -0.002 0.000 0.301 241 V C 0.438 176.767 176.094 0.392 0.000 1.066 241 V CA -0.656 61.944 62.300 0.501 0.000 1.052 241 V CB 0.620 32.686 31.823 0.405 0.000 1.021 241 V HN 1.046 nan 8.190 nan 0.000 0.480 242 Q N 2.703 122.713 119.800 0.350 0.000 2.382 242 Q HA 0.467 4.806 4.340 -0.002 0.000 0.229 242 Q C -2.462 173.645 176.000 0.177 0.000 1.006 242 Q CA -1.644 54.295 55.803 0.226 0.000 0.916 242 Q CB -0.266 28.561 28.738 0.149 0.000 1.235 242 Q HN 0.612 nan 8.270 nan 0.000 0.512 243 P HA -0.005 nan 4.420 nan 0.000 0.261 243 P C -1.013 176.328 177.300 0.068 0.000 1.173 243 P CA 0.715 63.873 63.100 0.098 0.000 0.760 243 P CB 0.276 32.020 31.700 0.073 0.000 0.783 244 I N 3.322 123.921 120.570 0.049 0.000 2.437 244 I HA 0.192 4.361 4.170 -0.002 0.000 0.279 244 I C -0.174 175.942 176.117 -0.002 0.000 1.028 244 I CA -0.915 60.397 61.300 0.019 0.000 1.142 244 I CB 1.768 39.768 38.000 -0.001 0.000 1.266 244 I HN 0.072 nan 8.210 nan 0.000 0.461 245 V N 8.374 128.293 119.914 0.008 0.000 2.333 245 V HA 0.405 4.524 4.120 -0.002 0.000 0.274 245 V C -0.042 176.067 176.094 0.025 0.000 1.028 245 V CA -0.365 61.941 62.300 0.010 0.000 0.851 245 V CB 1.073 32.902 31.823 0.010 0.000 1.000 245 V HN 0.496 nan 8.190 nan 0.000 0.456 246 L N 10.027 131.270 121.223 0.034 0.000 2.313 246 L HA 0.423 4.762 4.340 -0.002 0.000 0.282 246 L C -1.691 175.247 176.870 0.113 0.000 1.092 246 L CA -1.566 53.327 54.840 0.088 0.000 0.831 246 L CB 0.858 42.963 42.059 0.076 0.000 1.159 246 L HN 0.513 nan 8.230 nan 0.000 0.442 247 P HA 0.059 nan 4.420 nan 0.000 0.269 247 P C -0.845 176.484 177.300 0.050 0.000 1.209 247 P CA -0.260 62.857 63.100 0.028 0.000 0.776 247 P CB 0.716 32.359 31.700 -0.096 0.000 0.876 248 E N 2.783 122.968 120.200 -0.024 0.000 2.081 248 E HA 0.266 4.615 4.350 -0.002 0.000 0.281 248 E C -0.211 176.303 176.600 -0.144 0.000 0.986 248 E CA -0.309 56.084 56.400 -0.012 0.000 0.796 248 E CB 1.057 30.753 29.700 -0.005 0.000 1.085 248 E HN 0.427 nan 8.360 nan 0.000 0.398 249 K N 1.766 122.037 120.400 -0.216 0.000 2.482 249 K HA 0.305 4.623 4.320 -0.002 0.000 0.257 249 K C -0.219 176.256 176.600 -0.209 0.000 0.969 249 K CA -0.816 55.230 56.287 -0.402 0.000 0.842 249 K CB 1.734 33.646 32.500 -0.980 0.000 1.359 249 K HN 0.089 nan 8.250 nan 0.000 0.441 250 D N 0.212 120.511 120.400 -0.168 0.000 2.301 250 D HA 0.035 4.673 4.640 -0.002 0.000 0.206 250 D C -0.316 175.968 176.300 -0.025 0.000 0.979 250 D CA 0.838 54.814 54.000 -0.040 0.000 0.874 250 D CB 0.555 41.337 40.800 -0.030 0.000 0.968 250 D HN 0.258 nan 8.370 nan 0.000 0.510 251 S N 0.311 115.911 115.700 -0.166 0.000 2.605 251 S HA 0.351 4.820 4.470 -0.002 0.000 0.308 251 S C -1.180 173.296 174.600 -0.206 0.000 1.113 251 S CA -0.743 57.409 58.200 -0.080 0.000 1.049 251 S CB 1.188 64.352 63.200 -0.060 0.000 1.001 251 S HN 0.074 nan 8.310 nan 0.000 0.480 252 W N 2.694 123.986 121.300 -0.012 0.000 2.376 252 W HA 0.424 5.083 4.660 -0.002 0.000 0.312 252 W C 0.894 177.406 176.519 -0.012 0.000 1.060 252 W CA -0.644 56.694 57.345 -0.013 0.000 1.221 252 W CB 0.841 30.293 29.460 -0.013 0.000 1.281 252 W HN 0.603 nan 8.180 nan 0.000 0.456 253 T N -1.253 113.393 114.554 0.153 0.000 2.882 253 T HA 0.163 4.511 4.350 -0.002 0.000 0.287 253 T C 1.040 175.813 174.700 0.121 0.000 1.014 253 T CA -0.771 61.388 62.100 0.099 0.000 1.049 253 T CB 1.342 70.235 68.868 0.041 0.000 1.001 253 T HN 0.237 nan 8.240 nan 0.000 0.525 254 V N 1.926 121.886 119.914 0.077 0.000 2.278 254 V HA -0.270 3.849 4.120 -0.002 0.000 0.251 254 V C 2.896 179.028 176.094 0.063 0.000 1.062 254 V CA 2.483 64.820 62.300 0.061 0.000 1.038 254 V CB -1.131 30.713 31.823 0.036 0.000 0.646 254 V HN 1.057 nan 8.190 nan 0.000 0.447 255 N N -0.250 118.481 118.700 0.053 0.000 2.120 255 N HA -0.217 4.522 4.740 -0.002 0.000 0.188 255 N C 1.532 177.087 175.510 0.074 0.000 1.024 255 N CA 1.688 54.765 53.050 0.045 0.000 0.852 255 N CB -0.115 38.386 38.487 0.024 0.000 1.003 255 N HN 0.493 nan 8.380 nan 0.000 0.424 256 D N 0.982 121.449 120.400 0.112 0.000 2.123 256 D HA -0.132 4.507 4.640 -0.002 0.000 0.196 256 D C 2.041 178.517 176.300 0.292 0.000 0.992 256 D CA 0.863 54.983 54.000 0.201 0.000 0.833 256 D CB -0.188 40.756 40.800 0.240 0.000 0.954 256 D HN 0.467 nan 8.370 nan 0.000 0.455 257 I N 0.640 121.346 120.570 0.227 0.000 2.286 257 I HA -0.223 3.945 4.170 -0.002 0.000 0.245 257 I C 2.483 178.627 176.117 0.046 0.000 1.104 257 I CA 0.757 62.120 61.300 0.106 0.000 1.397 257 I CB -0.215 37.810 38.000 0.042 0.000 1.072 257 I HN -0.061 nan 8.210 nan 0.000 0.417 258 Q N 1.023 120.852 119.800 0.049 0.000 2.061 258 Q HA -0.243 4.096 4.340 -0.002 0.000 0.204 258 Q C 2.210 178.227 176.000 0.030 0.000 0.984 258 Q CA 1.665 57.484 55.803 0.027 0.000 0.846 258 Q CB -0.119 28.633 28.738 0.023 0.000 0.902 258 Q HN 0.435 nan 8.270 nan 0.000 0.421 259 K N 0.253 120.681 120.400 0.046 0.000 2.097 259 K HA -0.153 4.166 4.320 -0.002 0.000 0.205 259 K C 2.038 178.668 176.600 0.050 0.000 1.050 259 K CA 0.868 57.178 56.287 0.039 0.000 0.938 259 K CB -0.157 32.368 32.500 0.042 0.000 0.718 259 K HN 0.077 nan 8.250 nan 0.000 0.442 260 L N 0.803 122.073 121.223 0.079 0.000 2.027 260 L HA -0.142 4.197 4.340 -0.002 0.000 0.206 260 L C 1.910 178.784 176.870 0.007 0.000 1.074 260 L CA 1.520 56.395 54.840 0.057 0.000 0.745 260 L CB -0.371 41.714 42.059 0.043 0.000 0.898 260 L HN -0.114 nan 8.230 nan 0.000 0.433 261 V N 0.524 120.434 119.914 -0.007 0.000 2.392 261 V HA -0.238 3.881 4.120 -0.002 0.000 0.249 261 V C 2.626 178.734 176.094 0.023 0.000 1.059 261 V CA 1.782 64.077 62.300 -0.009 0.000 1.051 261 V CB -1.758 30.057 31.823 -0.014 0.000 0.658 261 V HN 0.663 nan 8.190 nan 0.000 0.455 262 G N -0.265 108.554 108.800 0.031 0.000 2.404 262 G HA2 -0.214 3.744 3.960 -0.002 0.000 0.215 262 G HA3 -0.214 3.744 3.960 -0.002 0.000 0.215 262 G C 1.657 176.611 174.900 0.090 0.000 1.174 262 G CA 0.712 45.842 45.100 0.050 0.000 0.780 262 G HN 0.480 nan 8.290 nan 0.000 0.537 263 K N -0.524 119.915 120.400 0.065 0.000 2.097 263 K HA 0.032 4.351 4.320 -0.002 0.000 0.206 263 K C 2.356 179.026 176.600 0.118 0.000 1.049 263 K CA 0.511 56.855 56.287 0.094 0.000 0.933 263 K CB -0.188 32.339 32.500 0.046 0.000 0.717 263 K HN 0.127 nan 8.250 nan 0.000 0.442 264 L N 1.741 123.000 121.223 0.059 0.000 2.027 264 L HA -0.136 4.202 4.340 -0.002 0.000 0.206 264 L C 1.772 178.677 176.870 0.059 0.000 1.074 264 L CA 1.606 56.462 54.840 0.026 0.000 0.745 264 L CB -1.030 41.021 42.059 -0.012 0.000 0.898 264 L HN 0.173 nan 8.230 nan 0.000 0.433 265 N N -1.141 117.607 118.700 0.080 0.000 2.094 265 N HA -0.285 4.454 4.740 -0.002 0.000 0.191 265 N C 1.695 177.291 175.510 0.143 0.000 1.023 265 N CA 1.294 54.402 53.050 0.097 0.000 0.857 265 N CB -0.416 38.134 38.487 0.104 0.000 1.013 265 N HN 0.510 nan 8.380 nan 0.000 0.426 266 W N 1.687 122.997 121.300 0.017 0.000 2.381 266 W HA -0.046 4.612 4.660 -0.002 0.000 0.301 266 W C 1.895 178.467 176.519 0.089 0.000 1.205 266 W CA 1.556 58.919 57.345 0.031 0.000 1.285 266 W CB -0.166 29.280 29.460 -0.024 0.000 1.133 266 W HN 0.047 nan 8.180 nan 0.000 0.521 267 A N 0.555 123.447 122.820 0.120 0.000 2.067 267 A HA -0.191 4.128 4.320 -0.002 0.000 0.219 267 A C 1.947 179.609 177.584 0.130 0.000 1.158 267 A CA 1.924 54.020 52.037 0.098 0.000 0.661 267 A CB -1.134 17.841 19.000 -0.043 0.000 0.801 267 A HN 0.346 nan 8.150 nan 0.000 0.452 268 S N -0.498 115.234 115.700 0.053 0.000 2.547 268 S HA -0.148 4.321 4.470 -0.002 0.000 0.235 268 S C 1.553 176.156 174.600 0.005 0.000 0.980 268 S CA 0.995 59.218 58.200 0.038 0.000 0.941 268 S CB -0.465 62.740 63.200 0.009 0.000 0.763 268 S HN 0.690 nan 8.310 nan 0.000 0.532 269 Q N -0.473 119.329 119.800 0.003 0.000 2.291 269 Q HA 0.124 4.463 4.340 -0.002 0.000 0.205 269 Q C 1.462 177.558 176.000 0.160 0.000 0.970 269 Q CA 1.191 57.038 55.803 0.073 0.000 0.876 269 Q CB -0.063 28.727 28.738 0.087 0.000 0.935 269 Q HN 0.679 nan 8.270 nan 0.000 0.455 270 I N -2.565 118.050 120.570 0.076 0.000 5.046 270 I HA 0.050 4.219 4.170 -0.002 0.000 0.341 270 I C -0.881 175.090 176.117 -0.243 0.000 1.257 270 I CA -0.101 61.133 61.300 -0.109 0.000 1.421 270 I CB 0.939 38.720 38.000 -0.364 0.000 1.495 270 I HN -0.124 nan 8.210 nan 0.000 0.518 271 Y N 5.135 125.380 120.300 -0.091 0.000 2.504 271 Y HA 0.431 4.980 4.550 -0.001 0.000 0.351 271 Y C -2.024 173.826 175.900 -0.084 0.000 0.988 271 Y CA -2.483 55.565 58.100 -0.088 0.000 1.239 271 Y CB 0.093 38.515 38.460 -0.063 0.000 1.128 271 Y HN 0.065 nan 8.280 nan 0.000 0.525 272 P HA 0.072 nan 4.420 nan 0.000 0.271 272 P C 0.824 178.117 177.300 -0.011 0.000 1.216 272 P CA 0.765 63.844 63.100 -0.035 0.000 0.771 272 P CB 1.242 32.902 31.700 -0.066 0.000 0.864 273 G N 2.910 111.696 108.800 -0.024 0.000 2.179 273 G HA2 -0.223 3.736 3.960 -0.002 0.000 0.260 273 G HA3 -0.223 3.736 3.960 -0.002 0.000 0.260 273 G C 0.352 175.241 174.900 -0.018 0.000 0.977 273 G CA -0.448 44.638 45.100 -0.024 0.000 0.641 273 G HN 0.491 nan 8.290 nan 0.000 0.533 274 I N 1.658 122.225 120.570 -0.004 0.000 2.906 274 I HA 0.090 4.259 4.170 -0.002 0.000 0.302 274 I C 0.988 177.091 176.117 -0.024 0.000 1.220 274 I CA 1.162 62.455 61.300 -0.012 0.000 1.441 274 I CB -0.086 37.915 38.000 0.001 0.000 1.336 274 I HN 0.485 nan 8.210 nan 0.000 0.565 275 K N 5.390 125.768 120.400 -0.037 0.000 2.426 275 K HA 0.677 4.996 4.320 -0.002 0.000 0.251 275 K C -0.190 176.379 176.600 -0.052 0.000 0.941 275 K CA -0.766 55.496 56.287 -0.043 0.000 0.808 275 K CB 2.578 35.047 32.500 -0.052 0.000 1.265 275 K HN 0.308 nan 8.250 nan 0.000 0.432 276 V N -1.783 118.101 119.914 -0.049 0.000 3.372 276 V HA 0.200 4.319 4.120 -0.002 0.000 0.304 276 V C 1.752 177.811 176.094 -0.058 0.000 1.530 276 V CA -0.030 62.236 62.300 -0.057 0.000 1.080 276 V CB 0.203 32.001 31.823 -0.041 0.000 0.929 276 V HN 0.902 nan 8.190 nan 0.000 0.455 277 R N 0.819 121.285 120.500 -0.056 0.000 2.083 277 R HA -0.146 4.193 4.340 -0.002 0.000 0.237 277 R C 2.229 178.493 176.300 -0.060 0.000 1.137 277 R CA 2.499 58.566 56.100 -0.055 0.000 0.951 277 R CB -0.174 30.092 30.300 -0.056 0.000 0.851 277 R HN 0.513 nan 8.270 nan 0.000 0.434 278 Q N 0.291 120.049 119.800 -0.069 0.000 2.123 278 Q HA -0.047 4.292 4.340 -0.002 0.000 0.199 278 Q C 2.258 178.206 176.000 -0.088 0.000 0.966 278 Q CA 1.232 56.990 55.803 -0.074 0.000 0.845 278 Q CB -0.117 28.574 28.738 -0.079 0.000 0.907 278 Q HN 0.424 nan 8.270 nan 0.000 0.439 279 L N -0.760 120.399 121.223 -0.106 0.000 2.141 279 L HA -0.159 4.180 4.340 -0.002 0.000 0.209 279 L C 2.469 179.285 176.870 -0.090 0.000 1.094 279 L CA 0.654 55.417 54.840 -0.128 0.000 0.763 279 L CB -0.354 41.611 42.059 -0.157 0.000 0.908 279 L HN 0.202 nan 8.230 nan 0.000 0.437 280 C N -0.130 119.129 119.300 -0.068 0.000 2.446 280 C HA -0.091 4.368 4.460 -0.002 0.000 0.279 280 C C 2.732 177.697 174.990 -0.041 0.000 1.366 280 C CA 0.552 59.541 59.018 -0.048 0.000 1.763 280 C CB -0.571 27.145 27.740 -0.040 0.000 1.929 280 C HN 0.409 nan 8.230 nan 0.000 0.509 281 K N 0.109 120.482 120.400 -0.045 0.000 2.148 281 K HA -0.087 4.232 4.320 -0.002 0.000 0.204 281 K C 1.684 178.264 176.600 -0.033 0.000 1.050 281 K CA 0.898 57.163 56.287 -0.036 0.000 0.942 281 K CB -0.172 32.305 32.500 -0.038 0.000 0.724 281 K HN 0.270 nan 8.250 nan 0.000 0.446 282 L N 0.630 121.828 121.223 -0.043 0.000 2.042 282 L HA -0.163 4.176 4.340 -0.002 0.000 0.210 282 L C 1.837 178.694 176.870 -0.022 0.000 1.076 282 L CA 1.415 56.234 54.840 -0.036 0.000 0.749 282 L CB -0.614 41.412 42.059 -0.056 0.000 0.893 282 L HN 0.132 nan 8.230 nan 0.000 0.432 283 L N -0.888 120.321 121.223 -0.023 0.000 2.633 283 L HA -0.043 4.296 4.340 -0.002 0.000 0.235 283 L C 1.412 178.277 176.870 -0.008 0.000 1.163 283 L CA 0.765 55.598 54.840 -0.012 0.000 0.859 283 L CB -0.895 41.157 42.059 -0.012 0.000 0.973 283 L HN 0.139 nan 8.230 nan 0.000 0.451 284 R N -1.257 119.236 120.500 -0.012 0.000 2.582 284 R HA 0.418 4.757 4.340 -0.002 0.000 0.271 284 R C 1.025 177.323 176.300 -0.005 0.000 1.078 284 R CA 0.680 56.774 56.100 -0.009 0.000 1.127 284 R CB 0.374 30.667 30.300 -0.012 0.000 1.038 284 R HN 0.315 nan 8.270 nan 0.000 0.500 285 G N 0.110 108.908 108.800 -0.003 0.000 2.520 285 G HA2 -0.300 3.659 3.960 -0.002 0.000 0.248 285 G HA3 -0.300 3.659 3.960 -0.002 0.000 0.248 285 G C 0.038 174.939 174.900 0.001 0.000 1.161 285 G CA 0.301 45.400 45.100 -0.001 0.000 0.946 285 G HN 0.663 nan 8.290 nan 0.000 0.565 286 T N 0.407 114.962 114.554 0.003 0.000 4.940 286 T HA 0.346 4.695 4.350 -0.002 0.000 0.259 286 T C 0.158 174.861 174.700 0.005 0.000 0.926 286 T CA 0.679 62.781 62.100 0.004 0.000 1.029 286 T CB -0.675 68.195 68.868 0.003 0.000 0.795 286 T HN 0.668 nan 8.240 nan 0.000 0.432 287 K N 0.937 121.341 120.400 0.007 0.000 2.273 287 K HA 0.779 5.098 4.320 -0.002 0.000 0.240 287 K C 0.829 177.434 176.600 0.008 0.000 1.056 287 K CA -0.425 55.867 56.287 0.008 0.000 0.910 287 K CB 0.357 32.864 32.500 0.012 0.000 1.196 287 K HN 0.450 nan 8.250 nan 0.000 0.509 288 A N 0.506 123.331 122.820 0.008 0.000 2.304 288 A HA 0.172 4.491 4.320 -0.002 0.000 0.271 288 A C 1.222 178.812 177.584 0.011 0.000 1.091 288 A CA -0.327 51.714 52.037 0.007 0.000 0.812 288 A CB 0.167 19.170 19.000 0.006 0.000 1.056 288 A HN 0.649 nan 8.150 nan 0.000 0.489 289 L N 0.967 122.196 121.223 0.009 0.000 2.201 289 L HA -0.085 4.254 4.340 -0.002 0.000 0.212 289 L C 2.526 179.405 176.870 0.014 0.000 1.105 289 L CA 2.357 57.204 54.840 0.012 0.000 0.775 289 L CB -0.164 41.899 42.059 0.007 0.000 0.913 289 L HN 0.927 nan 8.230 nan 0.000 0.440 290 T N -3.931 110.628 114.554 0.009 0.000 3.107 290 T HA 0.034 4.383 4.350 -0.002 0.000 0.249 290 T C 0.713 175.419 174.700 0.011 0.000 1.096 290 T CA -0.306 61.797 62.100 0.006 0.000 1.012 290 T CB -0.288 68.579 68.868 -0.001 0.000 0.977 290 T HN 0.249 nan 8.240 nan 0.000 0.527 291 E N 1.191 121.400 120.200 0.016 0.000 2.354 291 E HA 0.366 4.715 4.350 -0.002 0.000 0.269 291 E C -0.777 175.843 176.600 0.033 0.000 1.036 291 E CA -0.492 55.920 56.400 0.020 0.000 0.876 291 E CB 0.919 30.630 29.700 0.018 0.000 1.009 291 E HN 0.107 nan 8.360 nan 0.000 0.416 292 V N 5.826 125.760 119.914 0.033 0.000 2.465 292 V HA 0.218 4.336 4.120 -0.002 0.000 0.279 292 V C -0.108 176.022 176.094 0.059 0.000 1.045 292 V CA -0.549 61.783 62.300 0.052 0.000 0.938 292 V CB 1.138 32.985 31.823 0.040 0.000 0.986 292 V HN 0.589 nan 8.190 nan 0.000 0.467 293 I N 6.998 127.621 120.570 0.088 0.000 2.390 293 I HA 0.357 4.526 4.170 -0.002 0.000 0.283 293 I C -2.241 173.925 176.117 0.082 0.000 1.016 293 I CA -2.490 58.850 61.300 0.067 0.000 1.151 293 I CB 1.520 39.551 38.000 0.050 0.000 1.293 293 I HN 0.424 nan 8.210 nan 0.000 0.458 294 P HA 0.128 nan 4.420 nan 0.000 0.264 294 P C -0.287 177.029 177.300 0.027 0.000 1.193 294 P CA -0.130 63.005 63.100 0.060 0.000 0.763 294 P CB 0.846 32.569 31.700 0.039 0.000 0.810 295 L N 3.019 124.252 121.223 0.018 0.000 2.416 295 L HA 0.121 4.460 4.340 -0.002 0.000 0.272 295 L C 1.760 178.610 176.870 -0.034 0.000 1.161 295 L CA -0.251 54.559 54.840 -0.049 0.000 0.845 295 L CB 0.042 42.039 42.059 -0.104 0.000 1.119 295 L HN 0.483 nan 8.230 nan 0.000 0.464 296 T N -1.357 113.169 114.554 -0.047 0.000 2.667 296 T HA -0.008 4.341 4.350 -0.002 0.000 0.305 296 T C 0.949 175.625 174.700 -0.039 0.000 1.022 296 T CA -0.397 61.681 62.100 -0.036 0.000 0.995 296 T CB 1.192 70.036 68.868 -0.040 0.000 1.026 296 T HN 0.649 nan 8.240 nan 0.000 0.527 297 E N 0.943 121.124 120.200 -0.031 0.000 2.017 297 E HA -0.185 4.163 4.350 -0.002 0.000 0.193 297 E C 2.149 178.724 176.600 -0.042 0.000 0.997 297 E CA 1.779 58.160 56.400 -0.031 0.000 0.804 297 E CB -0.352 29.333 29.700 -0.024 0.000 0.757 297 E HN 0.812 nan 8.360 nan 0.000 0.448 298 E N 0.215 120.389 120.200 -0.044 0.000 2.472 298 E HA -0.105 4.244 4.350 -0.002 0.000 0.200 298 E C 1.583 178.143 176.600 -0.067 0.000 1.046 298 E CA 1.004 57.373 56.400 -0.051 0.000 0.871 298 E CB -0.121 29.550 29.700 -0.048 0.000 0.806 298 E HN 0.316 nan 8.360 nan 0.000 0.533 299 A N 1.273 124.047 122.820 -0.077 0.000 1.956 299 A HA -0.020 4.299 4.320 -0.002 0.000 0.212 299 A C 2.058 179.565 177.584 -0.129 0.000 1.188 299 A CA 0.850 52.822 52.037 -0.109 0.000 0.675 299 A CB -0.189 18.738 19.000 -0.123 0.000 0.845 299 A HN 0.202 nan 8.150 nan 0.000 0.455 300 E N -0.654 119.485 120.200 -0.102 0.000 2.204 300 E HA -0.103 4.246 4.350 -0.002 0.000 0.194 300 E C 1.625 178.182 176.600 -0.071 0.000 0.989 300 E CA 0.683 57.028 56.400 -0.091 0.000 0.824 300 E CB -0.085 29.587 29.700 -0.048 0.000 0.756 300 E HN 0.368 nan 8.360 nan 0.000 0.477 301 L N 0.749 121.935 121.223 -0.063 0.000 2.131 301 L HA 0.002 4.341 4.340 -0.002 0.000 0.206 301 L C 2.119 178.952 176.870 -0.063 0.000 1.087 301 L CA 1.661 56.470 54.840 -0.053 0.000 0.767 301 L CB -0.567 41.465 42.059 -0.045 0.000 0.917 301 L HN 0.198 nan 8.230 nan 0.000 0.441 302 E N -0.410 119.744 120.200 -0.077 0.000 2.058 302 E HA -0.262 4.087 4.350 -0.002 0.000 0.194 302 E C 2.357 178.901 176.600 -0.093 0.000 0.997 302 E CA 1.314 57.664 56.400 -0.083 0.000 0.801 302 E CB -0.223 29.421 29.700 -0.093 0.000 0.746 302 E HN 0.447 nan 8.360 nan 0.000 0.450 303 L N 0.301 121.450 121.223 -0.122 0.000 2.081 303 L HA -0.240 4.099 4.340 -0.002 0.000 0.212 303 L C 2.434 179.257 176.870 -0.078 0.000 1.080 303 L CA 1.461 56.223 54.840 -0.131 0.000 0.754 303 L CB -0.408 41.539 42.059 -0.185 0.000 0.893 303 L HN 0.283 nan 8.230 nan 0.000 0.433 304 A N -0.111 122.672 122.820 -0.062 0.000 1.858 304 A HA -0.264 4.055 4.320 -0.002 0.000 0.216 304 A C 1.986 179.547 177.584 -0.038 0.000 1.190 304 A CA 1.861 53.875 52.037 -0.039 0.000 0.617 304 A CB -0.618 18.363 19.000 -0.033 0.000 0.827 304 A HN 0.564 nan 8.150 nan 0.000 0.443 305 E N -0.020 120.154 120.200 -0.044 0.000 2.070 305 E HA -0.217 4.132 4.350 -0.002 0.000 0.197 305 E C 1.911 178.487 176.600 -0.041 0.000 1.004 305 E CA 1.315 57.692 56.400 -0.040 0.000 0.805 305 E CB -0.282 29.392 29.700 -0.044 0.000 0.744 305 E HN 0.554 nan 8.360 nan 0.000 0.451 306 N N 0.795 119.464 118.700 -0.052 0.000 2.084 306 N HA -0.177 4.562 4.740 -0.002 0.000 0.190 306 N C 1.831 177.304 175.510 -0.061 0.000 1.030 306 N CA 1.013 54.027 53.050 -0.059 0.000 0.849 306 N CB -0.341 38.102 38.487 -0.073 0.000 1.012 306 N HN 0.035 nan 8.380 nan 0.000 0.423 307 R N 1.102 121.572 120.500 -0.050 0.000 2.159 307 R HA -0.126 4.213 4.340 -0.002 0.000 0.237 307 R C 1.880 178.161 176.300 -0.031 0.000 1.131 307 R CA 1.193 57.271 56.100 -0.037 0.000 0.982 307 R CB -0.065 30.226 30.300 -0.015 0.000 0.868 307 R HN 0.145 nan 8.270 nan 0.000 0.453 308 E N 0.450 120.635 120.200 -0.026 0.000 2.033 308 E HA -0.063 4.286 4.350 -0.002 0.000 0.189 308 E C 1.716 178.312 176.600 -0.006 0.000 0.979 308 E CA 1.512 57.903 56.400 -0.015 0.000 0.802 308 E CB -0.227 29.463 29.700 -0.016 0.000 0.763 308 E HN 0.419 nan 8.360 nan 0.000 0.449 309 I N 0.539 121.105 120.570 -0.006 0.000 2.399 309 I HA -0.248 3.921 4.170 -0.002 0.000 0.254 309 I C 1.970 178.130 176.117 0.071 0.000 1.146 309 I CA 0.925 62.246 61.300 0.034 0.000 1.412 309 I CB -0.179 37.841 38.000 0.034 0.000 1.076 309 I HN 0.177 nan 8.210 nan 0.000 0.432 310 L N -0.164 121.033 121.223 -0.043 0.000 2.477 310 L HA 0.004 4.342 4.340 -0.002 0.000 0.220 310 L C 2.279 179.135 176.870 -0.024 0.000 1.106 310 L CA 0.263 55.011 54.840 -0.154 0.000 0.851 310 L CB -0.292 41.595 42.059 -0.287 0.000 0.994 310 L HN 0.098 nan 8.230 nan 0.000 0.462 311 K N 0.645 121.047 120.400 0.003 0.000 2.286 311 K HA -0.164 4.154 4.320 -0.002 0.000 0.203 311 K C 0.740 177.364 176.600 0.040 0.000 1.045 311 K CA 1.006 57.301 56.287 0.014 0.000 0.935 311 K CB 0.090 32.595 32.500 0.009 0.000 0.737 311 K HN 0.319 nan 8.250 nan 0.000 0.460 312 E N 0.880 121.125 120.200 0.075 0.000 2.238 312 E HA 0.240 4.589 4.350 -0.002 0.000 0.267 312 E C -2.705 173.978 176.600 0.137 0.000 0.887 312 E CA -2.635 53.810 56.400 0.075 0.000 0.769 312 E CB 1.808 31.529 29.700 0.034 0.000 1.187 312 E HN -0.224 nan 8.360 nan 0.000 0.416 313 P HA 0.038 nan 4.420 nan 0.000 0.266 313 P C -1.252 176.006 177.300 -0.070 0.000 1.195 313 P CA -0.155 63.000 63.100 0.091 0.000 0.768 313 P CB 0.689 32.431 31.700 0.069 0.000 0.838 314 V N 3.717 123.482 119.914 -0.249 0.000 2.686 314 V HA 0.366 4.484 4.120 -0.002 0.000 0.306 314 V C -0.142 175.628 176.094 -0.541 0.000 1.065 314 V CA -0.593 61.372 62.300 -0.558 0.000 0.894 314 V CB 1.806 33.096 31.823 -0.888 0.000 1.004 314 V HN 0.722 nan 8.190 nan 0.000 0.424 315 H N 1.876 120.691 119.070 -0.424 0.000 2.679 315 H HA 0.821 5.378 4.556 0.000 0.000 0.367 315 H C -0.170 174.777 175.328 -0.635 0.000 1.162 315 H CA -0.735 55.002 56.048 -0.519 0.000 1.181 315 H CB 2.540 32.083 29.762 -0.365 0.000 1.693 315 H HN 0.747 nan 8.280 nan 0.000 0.538 316 G N 0.652 108.909 108.800 -0.904 0.000 2.434 316 G HA2 0.466 4.424 3.960 -0.002 0.000 0.330 316 G HA3 0.466 4.424 3.960 -0.002 0.000 0.330 316 G C 0.169 174.832 174.900 -0.394 0.000 1.155 316 G CA -0.363 44.306 45.100 -0.719 0.000 0.917 316 G HN 0.678 nan 8.290 nan 0.000 0.493 317 V N -1.268 118.618 119.914 -0.047 0.000 3.369 317 V HA 0.666 4.785 4.120 -0.002 0.000 0.309 317 V C -0.395 175.771 176.094 0.120 0.000 1.069 317 V CA -1.248 61.047 62.300 -0.008 0.000 1.042 317 V CB 0.761 32.625 31.823 0.069 0.000 1.192 317 V HN 0.546 nan 8.190 nan 0.000 0.447 318 Y N -0.822 119.667 120.300 0.315 0.000 2.545 318 Y HA 0.550 5.096 4.550 -0.005 0.000 0.324 318 Y C -0.172 175.909 175.900 0.303 0.000 1.220 318 Y CA -0.908 57.383 58.100 0.319 0.000 1.290 318 Y CB 0.776 39.372 38.460 0.226 0.000 1.355 318 Y HN 0.710 nan 8.280 nan 0.000 0.516 319 Y N 1.834 122.361 120.300 0.378 0.000 2.313 319 Y HA 0.266 4.816 4.550 0.000 0.000 0.332 319 Y C -0.544 175.436 175.900 0.134 0.000 1.071 319 Y CA -1.467 56.769 58.100 0.226 0.000 1.169 319 Y CB 0.579 39.244 38.460 0.342 0.000 1.192 319 Y HN 0.509 nan 8.280 nan 0.000 0.487 320 D N 8.431 128.656 120.400 -0.291 0.000 2.412 320 D HA 0.297 4.936 4.640 -0.002 0.000 0.224 320 D C -2.221 173.577 176.300 -0.836 0.000 1.093 320 D CA -2.559 51.192 54.000 -0.414 0.000 0.850 320 D CB 1.950 42.649 40.800 -0.169 0.000 1.046 320 D HN 0.351 nan 8.370 nan 0.000 0.507 321 P HA -0.087 nan 4.420 nan 0.000 0.228 321 P C 1.020 178.149 177.300 -0.285 0.000 1.151 321 P CA 0.759 63.455 63.100 -0.673 0.000 0.770 321 P CB 0.183 31.693 31.700 -0.317 0.000 0.786 322 S N -2.610 112.950 115.700 -0.233 0.000 2.558 322 S HA 0.127 4.596 4.470 -0.002 0.000 0.217 322 S C 0.732 175.275 174.600 -0.094 0.000 0.975 322 S CA 0.023 58.150 58.200 -0.122 0.000 0.912 322 S CB -0.354 62.788 63.200 -0.098 0.000 0.776 322 S HN 0.048 nan 8.310 nan 0.000 0.526 323 K N 1.072 121.405 120.400 -0.112 0.000 2.328 323 K HA 0.440 4.758 4.320 -0.002 0.000 0.246 323 K C -1.423 175.148 176.600 -0.049 0.000 0.955 323 K CA -0.909 55.335 56.287 -0.072 0.000 0.817 323 K CB 0.979 33.436 32.500 -0.071 0.000 1.208 323 K HN 0.039 nan 8.250 nan 0.000 0.432 324 D N 1.389 121.752 120.400 -0.061 0.000 2.382 324 D HA 0.151 4.790 4.640 -0.002 0.000 0.240 324 D C -0.153 176.058 176.300 -0.148 0.000 1.146 324 D CA 0.129 54.076 54.000 -0.088 0.000 0.897 324 D CB 0.633 41.376 40.800 -0.094 0.000 1.197 324 D HN 0.198 nan 8.370 nan 0.000 0.432 325 L N 1.744 122.827 121.223 -0.235 0.000 2.322 325 L HA 0.388 4.727 4.340 -0.002 0.000 0.279 325 L C -0.274 176.341 176.870 -0.425 0.000 1.036 325 L CA -0.797 53.806 54.840 -0.395 0.000 0.807 325 L CB 1.195 42.903 42.059 -0.585 0.000 1.226 325 L HN 0.104 nan 8.230 nan 0.000 0.433 326 I N 2.506 122.748 120.570 -0.545 0.000 2.436 326 I HA 0.518 4.687 4.170 -0.002 0.000 0.289 326 I C 0.065 175.756 176.117 -0.711 0.000 1.010 326 I CA -0.623 60.293 61.300 -0.640 0.000 1.098 326 I CB 1.559 39.081 38.000 -0.797 0.000 1.266 326 I HN 0.577 nan 8.210 nan 0.000 0.434 327 A N 6.220 128.672 122.820 -0.614 0.000 2.303 327 A HA 0.737 5.056 4.320 -0.002 0.000 0.320 327 A C -0.290 177.180 177.584 -0.190 0.000 1.192 327 A CA -0.542 51.226 52.037 -0.448 0.000 0.821 327 A CB 1.018 19.607 19.000 -0.685 0.000 1.188 327 A HN 0.728 nan 8.150 nan 0.000 0.492 328 E N 1.447 121.641 120.200 -0.010 0.000 2.212 328 E HA 0.626 4.975 4.350 -0.002 0.000 0.268 328 E C -1.227 175.487 176.600 0.191 0.000 0.902 328 E CA -0.414 56.050 56.400 0.107 0.000 0.779 328 E CB 2.227 32.020 29.700 0.155 0.000 1.172 328 E HN 0.631 nan 8.360 nan 0.000 0.409 329 I N 2.283 122.962 120.570 0.182 0.000 2.498 329 I HA 0.267 4.436 4.170 -0.002 0.000 0.290 329 I C -0.838 175.412 176.117 0.222 0.000 1.032 329 I CA -0.926 60.518 61.300 0.239 0.000 1.073 329 I CB 1.857 39.971 38.000 0.189 0.000 1.251 329 I HN 0.335 nan 8.210 nan 0.000 0.426 330 Q N 4.171 124.113 119.800 0.237 0.000 2.365 330 Q HA 0.407 4.746 4.340 -0.002 0.000 0.269 330 Q C -0.708 175.371 176.000 0.132 0.000 1.061 330 Q CA -0.883 55.015 55.803 0.159 0.000 0.816 330 Q CB 2.326 31.097 28.738 0.055 0.000 1.325 330 Q HN 0.338 nan 8.270 nan 0.000 0.446 331 K N 2.195 122.560 120.400 -0.059 0.000 2.383 331 K HA 0.032 4.351 4.320 -0.002 0.000 0.286 331 K C 0.167 176.560 176.600 -0.346 0.000 1.051 331 K CA 0.175 56.106 56.287 -0.592 0.000 0.974 331 K CB 0.557 32.687 32.500 -0.617 0.000 0.968 331 K HN 0.619 nan 8.250 nan 0.000 0.475 332 Q N 2.286 121.864 119.800 -0.370 0.000 1.909 332 Q HA 0.055 4.394 4.340 -0.002 0.000 0.209 332 Q C 1.053 176.920 176.000 -0.222 0.000 0.974 332 Q CA 1.350 57.023 55.803 -0.216 0.000 0.851 332 Q CB 0.084 28.725 28.738 -0.162 0.000 0.904 332 Q HN 0.863 nan 8.270 nan 0.000 0.445 333 G N -0.248 108.404 108.800 -0.246 0.000 3.382 333 G HA2 0.148 4.107 3.960 -0.002 0.000 0.183 333 G HA3 0.148 4.107 3.960 -0.002 0.000 0.183 333 G C -1.008 173.760 174.900 -0.221 0.000 1.246 333 G CA -0.480 44.502 45.100 -0.198 0.000 0.828 333 G HN 0.103 nan 8.290 nan 0.000 0.728 334 Q N 1.134 120.850 119.800 -0.140 0.000 2.489 334 Q HA 0.457 4.796 4.340 -0.002 0.000 0.231 334 Q C 0.840 176.792 176.000 -0.080 0.000 1.273 334 Q CA 0.826 56.573 55.803 -0.095 0.000 0.898 334 Q CB 0.193 28.893 28.738 -0.062 0.000 1.545 334 Q HN 1.296 nan 8.270 nan 0.000 0.538 335 G N 2.065 110.817 108.800 -0.081 0.000 2.160 335 G HA2 -0.325 3.634 3.960 -0.002 0.000 0.251 335 G HA3 -0.325 3.634 3.960 -0.002 0.000 0.251 335 G C -0.211 174.686 174.900 -0.005 0.000 1.008 335 G CA -0.177 44.954 45.100 0.052 0.000 0.724 335 G HN 0.505 nan 8.290 nan 0.000 0.514 336 Q N -1.075 118.557 119.800 -0.280 0.000 2.333 336 Q HA 0.565 4.904 4.340 -0.002 0.000 0.268 336 Q C -0.797 174.932 176.000 -0.452 0.000 1.007 336 Q CA -0.709 54.971 55.803 -0.206 0.000 0.810 336 Q CB 1.233 29.884 28.738 -0.145 0.000 1.264 336 Q HN 0.389 nan 8.270 nan 0.000 0.452 337 W N 0.947 122.328 121.300 0.136 0.000 2.689 337 W HA 0.569 5.228 4.660 -0.003 0.000 0.340 337 W C 0.148 176.775 176.519 0.180 0.000 1.060 337 W CA -0.571 56.874 57.345 0.167 0.000 1.218 337 W CB 2.060 31.661 29.460 0.235 0.000 1.410 337 W HN 0.323 nan 8.180 nan 0.000 0.528 338 T N 1.781 116.535 114.554 0.334 0.000 2.916 338 T HA 0.751 5.100 4.350 -0.002 0.000 0.292 338 T C -1.637 173.247 174.700 0.308 0.000 1.055 338 T CA -0.456 61.772 62.100 0.212 0.000 1.009 338 T CB 0.954 69.860 68.868 0.063 0.000 1.118 338 T HN 0.375 nan 8.240 nan 0.000 0.497 339 Y N 0.344 120.722 120.300 0.131 0.000 2.656 339 Y HA 0.793 5.341 4.550 -0.002 0.000 0.334 339 Y C -1.706 174.250 175.900 0.094 0.000 1.179 339 Y CA -1.293 56.875 58.100 0.114 0.000 1.050 339 Y CB 1.069 39.602 38.460 0.123 0.000 1.308 339 Y HN 0.502 nan 8.280 nan 0.000 0.456 340 Q N 2.100 122.053 119.800 0.255 0.000 2.389 340 Q HA 0.725 5.064 4.340 -0.002 0.000 0.277 340 Q C -1.516 174.600 176.000 0.194 0.000 1.082 340 Q CA -0.626 55.285 55.803 0.180 0.000 0.810 340 Q CB 3.337 32.185 28.738 0.184 0.000 1.374 340 Q HN 0.736 nan 8.270 nan 0.000 0.422 341 I N 2.902 123.569 120.570 0.161 0.000 2.436 341 I HA 0.589 4.758 4.170 -0.002 0.000 0.289 341 I C -1.188 174.935 176.117 0.011 0.000 1.010 341 I CA -1.095 60.193 61.300 -0.020 0.000 1.098 341 I CB 0.946 38.970 38.000 0.040 0.000 1.266 341 I HN 0.682 nan 8.210 nan 0.000 0.434 342 Y N 3.182 123.433 120.300 -0.082 0.000 2.655 342 Y HA 0.504 5.052 4.550 -0.002 0.000 0.336 342 Y C -0.214 175.607 175.900 -0.132 0.000 1.154 342 Y CA -0.960 57.095 58.100 -0.074 0.000 1.055 342 Y CB 1.144 39.591 38.460 -0.022 0.000 1.295 342 Y HN 0.458 nan 8.280 nan 0.000 0.465 343 Q N -0.251 119.663 119.800 0.190 0.000 2.369 343 Q HA 0.186 4.525 4.340 -0.002 0.000 0.254 343 Q C -0.699 175.382 176.000 0.135 0.000 0.858 343 Q CA 0.215 56.067 55.803 0.081 0.000 0.961 343 Q CB 1.365 30.107 28.738 0.007 0.000 1.119 343 Q HN 0.714 nan 8.270 nan 0.000 0.538 344 E N 2.086 122.350 120.200 0.107 0.000 2.218 344 E HA 0.234 4.583 4.350 -0.002 0.000 0.263 344 E C -2.658 173.743 176.600 -0.331 0.000 0.879 344 E CA -2.706 53.652 56.400 -0.071 0.000 0.762 344 E CB 1.663 31.314 29.700 -0.082 0.000 1.166 344 E HN -0.151 nan 8.360 nan 0.000 0.415 345 P HA 0.083 nan 4.420 nan 0.000 0.271 345 P C -0.725 176.033 177.300 -0.904 0.000 1.220 345 P CA 0.113 62.323 63.100 -1.483 0.000 0.768 345 P CB 0.259 30.818 31.700 -1.903 0.000 0.848 346 F N 2.073 121.795 119.950 -0.379 0.000 2.739 346 F HA 0.294 4.820 4.527 -0.001 0.000 0.345 346 F C 0.927 176.550 175.800 -0.296 0.000 1.373 346 F CA -0.545 57.142 58.000 -0.521 0.000 1.160 346 F CB 0.593 39.369 39.000 -0.374 0.000 1.137 346 F HN -0.013 nan 8.300 nan 0.000 0.524 347 K N 1.608 121.928 120.400 -0.133 0.000 2.171 347 K HA 0.138 4.457 4.320 -0.002 0.000 0.274 347 K C -0.204 176.424 176.600 0.047 0.000 1.110 347 K CA -0.349 55.914 56.287 -0.041 0.000 0.952 347 K CB -0.042 32.439 32.500 -0.032 0.000 1.309 347 K HN 0.161 nan 8.250 nan 0.000 0.414 348 N N 2.845 121.577 118.700 0.053 0.000 2.483 348 N HA -0.023 4.716 4.740 -0.002 0.000 0.264 348 N C 0.914 176.506 175.510 0.137 0.000 1.197 348 N CA -0.009 53.119 53.050 0.130 0.000 0.927 348 N CB 0.796 39.326 38.487 0.073 0.000 1.065 348 N HN 0.288 nan 8.380 nan 0.000 0.461 349 L N 1.881 123.239 121.223 0.225 0.000 2.109 349 L HA -0.039 4.300 4.340 -0.002 0.000 0.207 349 L C 1.066 178.259 176.870 0.540 0.000 1.086 349 L CA 1.539 56.610 54.840 0.385 0.000 0.760 349 L CB -0.420 41.865 42.059 0.376 0.000 0.910 349 L HN 0.701 nan 8.230 nan 0.000 0.437 350 K N -2.343 118.288 120.400 0.386 0.000 2.642 350 K HA 0.488 4.807 4.320 -0.002 0.000 0.290 350 K C -0.936 175.770 176.600 0.177 0.000 1.006 350 K CA -0.512 56.001 56.287 0.376 0.000 0.869 350 K CB 1.309 34.042 32.500 0.389 0.000 1.499 350 K HN -0.126 nan 8.250 nan 0.000 0.403 351 T N -1.854 112.736 114.554 0.060 0.000 2.883 351 T HA 0.918 5.267 4.350 -0.002 0.000 0.284 351 T C 0.205 174.682 174.700 -0.372 0.000 1.041 351 T CA -0.362 61.645 62.100 -0.155 0.000 1.007 351 T CB 1.775 70.562 68.868 -0.134 0.000 1.220 351 T HN 1.038 nan 8.240 nan 0.000 0.552 352 G N -0.177 108.104 108.800 -0.864 0.000 2.550 352 G HA2 0.637 4.595 3.960 -0.002 0.000 0.293 352 G HA3 0.637 4.595 3.960 -0.002 0.000 0.293 352 G C -2.106 172.430 174.900 -0.607 0.000 1.402 352 G CA -1.130 43.492 45.100 -0.797 0.000 0.784 352 G HN 1.003 nan 8.290 nan 0.000 0.482 353 K N -1.366 118.993 120.400 -0.069 0.000 2.508 353 K HA 0.711 5.030 4.320 -0.002 0.000 0.260 353 K C -2.127 174.701 176.600 0.380 0.000 0.949 353 K CA -1.112 55.282 56.287 0.177 0.000 0.834 353 K CB 2.784 35.334 32.500 0.083 0.000 1.365 353 K HN 0.637 nan 8.250 nan 0.000 0.437 354 Y N 0.821 121.313 120.300 0.321 0.000 2.391 354 Y HA 0.626 5.175 4.550 -0.002 0.000 0.341 354 Y C -1.627 174.444 175.900 0.284 0.000 0.965 354 Y CA -0.478 57.784 58.100 0.270 0.000 1.067 354 Y CB 2.330 40.927 38.460 0.228 0.000 1.199 354 Y HN 0.893 nan 8.280 nan 0.000 0.450 355 A N 7.123 129.673 122.820 -0.450 0.000 3.005 355 A HA 0.577 4.896 4.320 -0.002 0.000 0.308 355 A C -1.241 176.100 177.584 -0.404 0.000 1.173 355 A CA -0.562 51.318 52.037 -0.262 0.000 0.796 355 A CB 0.430 19.384 19.000 -0.076 0.000 1.325 355 A HN 0.779 nan 8.150 nan 0.000 0.467 356 R N 1.857 122.016 120.500 -0.568 0.000 2.621 356 R HA 0.678 5.017 4.340 -0.002 0.000 0.284 356 R C -1.235 175.036 176.300 -0.048 0.000 0.998 356 R CA -0.829 55.096 56.100 -0.292 0.000 0.895 356 R CB 1.143 31.242 30.300 -0.335 0.000 1.195 356 R HN 0.595 nan 8.270 nan 0.000 0.450 357 M N 3.251 122.847 119.600 -0.006 0.000 2.108 357 M HA 0.453 4.932 4.480 -0.002 0.000 0.354 357 M C -0.378 175.946 176.300 0.040 0.000 1.229 357 M CA 0.017 55.339 55.300 0.036 0.000 1.081 357 M CB 1.113 33.722 32.600 0.016 0.000 1.606 357 M HN 0.229 nan 8.290 nan 0.000 0.467 358 R N 2.774 123.312 120.500 0.065 0.000 2.369 358 R HA 0.698 5.037 4.340 -0.002 0.000 0.310 358 R C 0.073 176.405 176.300 0.053 0.000 1.141 358 R CA -0.191 55.947 56.100 0.063 0.000 1.116 358 R CB 0.411 30.760 30.300 0.082 0.000 1.135 358 R HN 1.088 nan 8.270 nan 0.000 0.529 359 G N 0.811 109.627 108.800 0.028 0.000 2.603 359 G HA2 -0.142 3.817 3.960 -0.002 0.000 0.686 359 G HA3 -0.142 3.817 3.960 -0.002 0.000 0.686 359 G C 0.286 175.130 174.900 -0.093 0.000 1.286 359 G CA -0.426 44.673 45.100 -0.002 0.000 0.871 359 G HN 0.476 nan 8.290 nan 0.000 0.568 360 A N -0.207 122.450 122.820 -0.270 0.000 2.016 360 A HA 0.369 4.688 4.320 -0.002 0.000 0.217 360 A C 0.949 178.197 177.584 -0.561 0.000 1.162 360 A CA 1.908 53.641 52.037 -0.506 0.000 0.662 360 A CB -0.266 18.268 19.000 -0.776 0.000 0.812 360 A HN 1.141 nan 8.150 nan 0.000 0.450 361 H N -0.354 118.763 119.070 0.078 0.000 2.689 361 H HA 0.535 5.090 4.556 -0.002 0.000 0.346 361 H C -0.608 174.765 175.328 0.074 0.000 1.037 361 H CA 0.132 56.224 56.048 0.073 0.000 1.234 361 H CB 1.185 30.993 29.762 0.075 0.000 1.572 361 H HN 0.280 nan 8.280 nan 0.000 0.524 362 T N 0.346 114.988 114.554 0.147 0.000 2.647 362 T HA 0.460 4.809 4.350 -0.002 0.000 0.295 362 T C -0.483 174.224 174.700 0.012 0.000 1.126 362 T CA -1.124 61.014 62.100 0.063 0.000 1.040 362 T CB 1.851 70.738 68.868 0.033 0.000 1.472 362 T HN 0.647 nan 8.240 nan 0.000 0.500 363 N N -1.196 117.435 118.700 -0.115 0.000 2.571 363 N HA 0.445 5.183 4.740 -0.002 0.000 0.273 363 N C -0.242 175.180 175.510 -0.147 0.000 1.340 363 N CA -0.887 52.077 53.050 -0.143 0.000 0.789 363 N CB 0.451 38.736 38.487 -0.336 0.000 1.514 363 N HN 0.439 nan 8.380 nan 0.000 0.499 364 D N -0.324 120.055 120.400 -0.034 0.000 2.190 364 D HA -0.105 4.534 4.640 -0.002 0.000 0.200 364 D C 1.504 177.701 176.300 -0.170 0.000 0.992 364 D CA 1.003 55.053 54.000 0.084 0.000 0.854 364 D CB -0.043 40.878 40.800 0.202 0.000 0.936 364 D HN 0.384 nan 8.370 nan 0.000 0.462 365 V N 0.690 120.360 119.914 -0.407 0.000 2.548 365 V HA -0.154 3.965 4.120 -0.002 0.000 0.249 365 V C 2.346 178.129 176.094 -0.518 0.000 1.055 365 V CA 1.151 63.135 62.300 -0.528 0.000 1.065 365 V CB -0.233 31.050 31.823 -0.899 0.000 0.681 365 V HN 0.160 nan 8.190 nan 0.000 0.462 366 K N -0.137 119.934 120.400 -0.549 0.000 2.025 366 K HA -0.165 4.154 4.320 -0.002 0.000 0.207 366 K C 2.310 178.738 176.600 -0.286 0.000 1.049 366 K CA 1.416 57.505 56.287 -0.330 0.000 0.933 366 K CB -0.166 32.185 32.500 -0.248 0.000 0.714 366 K HN 0.523 nan 8.250 nan 0.000 0.438 367 Q N 0.536 120.166 119.800 -0.284 0.000 2.079 367 Q HA -0.150 4.188 4.340 -0.002 0.000 0.200 367 Q C 2.231 177.732 176.000 -0.831 0.000 0.974 367 Q CA 0.944 56.550 55.803 -0.330 0.000 0.840 367 Q CB -0.140 28.588 28.738 -0.018 0.000 0.898 367 Q HN 0.166 nan 8.270 nan 0.000 0.430 368 L N 0.582 121.226 121.223 -0.965 0.000 2.046 368 L HA -0.144 4.195 4.340 -0.002 0.000 0.208 368 L C 2.119 178.524 176.870 -0.774 0.000 1.077 368 L CA 1.900 56.070 54.840 -1.115 0.000 0.747 368 L CB -0.727 40.852 42.059 -0.801 0.000 0.896 368 L HN 0.080 nan 8.230 nan 0.000 0.432 369 T N -0.641 113.594 114.554 -0.531 0.000 2.881 369 T HA -0.152 4.197 4.350 -0.002 0.000 0.270 369 T C 1.647 176.083 174.700 -0.440 0.000 1.068 369 T CA 1.644 63.506 62.100 -0.398 0.000 1.131 369 T CB -0.188 68.610 68.868 -0.117 0.000 0.871 369 T HN 0.494 nan 8.240 nan 0.000 0.479 370 E N 0.880 120.781 120.200 -0.498 0.000 2.122 370 E HA 0.122 4.471 4.350 -0.002 0.000 0.190 370 E C 2.581 178.707 176.600 -0.789 0.000 0.977 370 E CA 0.676 56.779 56.400 -0.495 0.000 0.820 370 E CB -0.159 29.330 29.700 -0.351 0.000 0.770 370 E HN 0.438 nan 8.360 nan 0.000 0.462 371 A N 1.099 123.234 122.820 -1.142 0.000 1.883 371 A HA -0.166 4.153 4.320 -0.002 0.000 0.217 371 A C 2.491 179.689 177.584 -0.643 0.000 1.186 371 A CA 1.214 52.613 52.037 -1.064 0.000 0.624 371 A CB -0.825 17.635 19.000 -0.899 0.000 0.822 371 A HN 0.122 nan 8.150 nan 0.000 0.444 372 V N -0.404 119.110 119.914 -0.668 0.000 2.380 372 V HA -0.318 3.801 4.120 -0.002 0.000 0.251 372 V C 2.758 178.554 176.094 -0.496 0.000 1.063 372 V CA 2.488 64.343 62.300 -0.741 0.000 1.055 372 V CB -0.713 30.502 31.823 -1.013 0.000 0.657 372 V HN 0.629 nan 8.190 nan 0.000 0.455 373 Q N -0.156 119.403 119.800 -0.400 0.000 2.049 373 Q HA -0.110 4.228 4.340 -0.002 0.000 0.198 373 Q C 2.347 178.251 176.000 -0.160 0.000 0.971 373 Q CA 1.401 57.065 55.803 -0.232 0.000 0.833 373 Q CB -0.424 28.206 28.738 -0.180 0.000 0.896 373 Q HN 0.450 nan 8.270 nan 0.000 0.434 374 K N 0.531 120.809 120.400 -0.203 0.000 2.074 374 K HA -0.163 4.156 4.320 -0.002 0.000 0.209 374 K C 1.820 178.357 176.600 -0.105 0.000 1.048 374 K CA 1.477 57.698 56.287 -0.110 0.000 0.926 374 K CB -0.362 32.091 32.500 -0.078 0.000 0.713 374 K HN 0.324 nan 8.250 nan 0.000 0.444 375 I N 0.777 121.238 120.570 -0.182 0.000 2.439 375 I HA -0.196 3.972 4.170 -0.002 0.000 0.251 375 I C 2.094 178.222 176.117 0.019 0.000 1.139 375 I CA 1.091 62.297 61.300 -0.156 0.000 1.438 375 I CB -0.270 37.596 38.000 -0.225 0.000 1.085 375 I HN 0.146 nan 8.210 nan 0.000 0.427 376 T N -0.041 114.554 114.554 0.069 0.000 2.737 376 T HA -0.142 4.207 4.350 -0.002 0.000 0.265 376 T C 1.952 176.682 174.700 0.051 0.000 1.038 376 T CA 1.976 64.142 62.100 0.111 0.000 1.144 376 T CB -0.370 68.547 68.868 0.082 0.000 0.866 376 T HN 0.329 nan 8.240 nan 0.000 0.434 377 T N 1.784 116.347 114.554 0.015 0.000 2.684 377 T HA -0.142 4.207 4.350 -0.002 0.000 0.267 377 T C 1.905 176.599 174.700 -0.009 0.000 1.036 377 T CA 1.483 63.588 62.100 0.008 0.000 1.148 377 T CB -0.306 68.564 68.868 0.004 0.000 0.863 377 T HN 0.536 nan 8.240 nan 0.000 0.436 378 E N 0.730 120.917 120.200 -0.022 0.000 2.085 378 E HA -0.155 4.193 4.350 -0.002 0.000 0.194 378 E C 2.324 178.857 176.600 -0.112 0.000 0.994 378 E CA 1.366 57.725 56.400 -0.069 0.000 0.801 378 E CB -0.103 29.568 29.700 -0.048 0.000 0.743 378 E HN 0.363 nan 8.360 nan 0.000 0.453 379 S N 0.585 116.298 115.700 0.022 0.000 2.382 379 S HA -0.138 4.330 4.470 -0.002 0.000 0.228 379 S C 1.909 176.558 174.600 0.081 0.000 1.027 379 S CA 0.981 59.291 58.200 0.182 0.000 0.991 379 S CB -0.152 63.205 63.200 0.261 0.000 0.823 379 S HN 0.315 nan 8.310 nan 0.000 0.469 380 I N 1.353 121.945 120.570 0.036 0.000 2.226 380 I HA -0.104 4.065 4.170 -0.002 0.000 0.245 380 I C 2.291 178.389 176.117 -0.032 0.000 1.100 380 I CA 1.065 62.380 61.300 0.025 0.000 1.374 380 I CB -1.648 36.369 38.000 0.028 0.000 1.057 380 I HN 0.161 nan 8.210 nan 0.000 0.413 381 V N 1.234 121.099 119.914 -0.082 0.000 2.295 381 V HA -0.232 3.887 4.120 -0.002 0.000 0.246 381 V C 2.461 178.415 176.094 -0.234 0.000 1.049 381 V CA 1.711 63.939 62.300 -0.119 0.000 1.024 381 V CB -0.320 31.435 31.823 -0.113 0.000 0.648 381 V HN 0.285 nan 8.190 nan 0.000 0.447 382 I N -1.973 118.324 120.570 -0.454 0.000 2.500 382 I HA -0.125 4.044 4.170 -0.002 0.000 0.252 382 I C 1.939 177.544 176.117 -0.853 0.000 1.142 382 I CA 1.324 62.118 61.300 -0.844 0.000 1.451 382 I CB -0.131 36.914 38.000 -1.592 0.000 1.093 382 I HN 0.424 nan 8.210 nan 0.000 0.430 383 W N -0.045 121.122 121.300 -0.221 0.000 2.592 383 W HA 0.353 5.012 4.660 -0.003 0.000 0.306 383 W C 1.351 177.791 176.519 -0.132 0.000 0.991 383 W CA 0.516 57.662 57.345 -0.332 0.000 1.430 383 W CB -0.216 28.887 29.460 -0.595 0.000 1.017 383 W HN 0.216 nan 8.180 nan 0.000 0.557 384 G N 2.517 111.368 108.800 0.085 0.000 2.221 384 G HA2 -0.315 3.644 3.960 -0.002 0.000 0.265 384 G HA3 -0.315 3.644 3.960 -0.002 0.000 0.265 384 G C -0.020 174.945 174.900 0.109 0.000 1.041 384 G CA 0.976 46.128 45.100 0.086 0.000 0.807 384 G HN 0.215 nan 8.290 nan 0.000 0.502 385 K N -0.227 120.248 120.400 0.126 0.000 2.542 385 K HA 0.535 4.854 4.320 -0.002 0.000 0.259 385 K C 0.275 176.923 176.600 0.079 0.000 0.932 385 K CA -0.212 56.134 56.287 0.098 0.000 0.820 385 K CB 1.362 33.922 32.500 0.100 0.000 1.345 385 K HN 0.270 nan 8.250 nan 0.000 0.432 386 T N 0.902 115.487 114.554 0.051 0.000 2.897 386 T HA 0.431 4.779 4.350 -0.002 0.000 0.294 386 T C -2.102 172.555 174.700 -0.071 0.000 1.004 386 T CA -1.317 60.802 62.100 0.032 0.000 1.106 386 T CB 0.862 69.777 68.868 0.078 0.000 0.949 386 T HN 0.261 nan 8.240 nan 0.000 0.520 387 P HA 0.339 nan 4.420 nan 0.000 0.276 387 P C -0.757 176.298 177.300 -0.409 0.000 1.252 387 P CA -0.833 62.016 63.100 -0.420 0.000 0.802 387 P CB 0.826 32.115 31.700 -0.684 0.000 1.035 388 K N 1.069 121.254 120.400 -0.359 0.000 2.234 388 K HA 0.380 4.699 4.320 -0.002 0.000 0.282 388 K C -0.299 176.098 176.600 -0.339 0.000 1.039 388 K CA -0.216 55.937 56.287 -0.224 0.000 0.928 388 K CB 0.289 32.701 32.500 -0.147 0.000 1.039 388 K HN 0.325 nan 8.250 nan 0.000 0.470 389 F N 1.740 121.641 119.950 -0.081 0.000 2.399 389 F HA 0.343 4.870 4.527 -0.000 0.000 0.328 389 F C 0.447 176.243 175.800 -0.006 0.000 1.084 389 F CA -0.504 57.451 58.000 -0.076 0.000 1.053 389 F CB 1.295 40.226 39.000 -0.115 0.000 1.209 389 F HN 0.154 nan 8.300 nan 0.000 0.502 390 K N 3.765 124.269 120.400 0.172 0.000 2.502 390 K HA 0.586 4.905 4.320 -0.002 0.000 0.254 390 K C -1.479 175.194 176.600 0.122 0.000 0.947 390 K CA -0.429 55.939 56.287 0.135 0.000 0.834 390 K CB 1.758 34.297 32.500 0.065 0.000 1.112 390 K HN 0.474 nan 8.250 nan 0.000 0.427 391 L N 3.997 125.305 121.223 0.142 0.000 2.362 391 L HA 0.472 4.811 4.340 -0.002 0.000 0.271 391 L C -2.069 174.843 176.870 0.069 0.000 1.002 391 L CA -2.217 52.649 54.840 0.043 0.000 0.818 391 L CB 2.231 44.181 42.059 -0.181 0.000 1.298 391 L HN 0.406 nan 8.230 nan 0.000 0.420 392 P HA 0.198 nan 4.420 nan 0.000 0.220 392 P C -0.584 176.874 177.300 0.265 0.000 1.778 392 P CA 0.405 63.569 63.100 0.107 0.000 0.912 392 P CB 0.171 31.938 31.700 0.113 0.000 1.861 393 I N -0.527 120.285 120.570 0.404 0.000 2.692 393 I HA 0.226 4.394 4.170 -0.002 0.000 0.293 393 I C -0.754 175.665 176.117 0.504 0.000 1.200 393 I CA -0.894 60.608 61.300 0.335 0.000 1.036 393 I CB 2.635 40.670 38.000 0.058 0.000 1.258 393 I HN -0.192 nan 8.210 nan 0.000 0.421 394 Q N 6.051 125.943 119.800 0.153 0.000 2.327 394 Q HA 0.211 4.550 4.340 -0.002 0.000 0.254 394 Q C 0.482 176.635 176.000 0.254 0.000 0.952 394 Q CA -0.479 55.276 55.803 -0.081 0.000 0.884 394 Q CB 1.301 29.873 28.738 -0.277 0.000 1.224 394 Q HN 0.539 nan 8.270 nan 0.000 0.422 395 K N 2.002 122.531 120.400 0.215 0.000 2.152 395 K HA -0.218 4.101 4.320 -0.002 0.000 0.206 395 K C 1.579 178.375 176.600 0.326 0.000 1.048 395 K CA 1.325 57.801 56.287 0.315 0.000 0.933 395 K CB 0.138 32.634 32.500 -0.007 0.000 0.721 395 K HN 0.664 nan 8.250 nan 0.000 0.447 396 E N 0.381 120.680 120.200 0.165 0.000 2.047 396 E HA -0.124 4.224 4.350 -0.002 0.000 0.191 396 E C 1.679 178.379 176.600 0.168 0.000 0.987 396 E CA 1.577 58.060 56.400 0.138 0.000 0.799 396 E CB 0.132 29.859 29.700 0.045 0.000 0.752 396 E HN 0.214 nan 8.360 nan 0.000 0.449 397 T N -0.118 114.523 114.554 0.145 0.000 2.684 397 T HA -0.217 4.132 4.350 -0.002 0.000 0.267 397 T C 1.151 175.993 174.700 0.238 0.000 1.036 397 T CA 1.514 63.690 62.100 0.127 0.000 1.148 397 T CB -0.529 68.378 68.868 0.065 0.000 0.863 397 T HN 0.436 nan 8.240 nan 0.000 0.436 398 W N 1.934 123.334 121.300 0.166 0.000 2.436 398 W HA 0.036 4.695 4.660 -0.001 0.000 0.284 398 W C 2.342 179.097 176.519 0.394 0.000 1.225 398 W CA 0.880 58.353 57.345 0.213 0.000 1.271 398 W CB -0.029 29.511 29.460 0.133 0.000 1.114 398 W HN 0.306 nan 8.180 nan 0.000 0.559 399 E N -0.954 119.570 120.200 0.540 0.000 2.152 399 E HA -0.153 4.196 4.350 -0.002 0.000 0.192 399 E C 1.738 178.436 176.600 0.163 0.000 0.983 399 E CA 1.666 58.412 56.400 0.576 0.000 0.818 399 E CB -0.136 29.892 29.700 0.548 0.000 0.758 399 E HN 0.107 nan 8.360 nan 0.000 0.467 400 T N 1.050 115.671 114.554 0.112 0.000 2.737 400 T HA -0.160 4.189 4.350 -0.002 0.000 0.265 400 T C 1.269 175.946 174.700 -0.038 0.000 1.038 400 T CA 1.266 63.369 62.100 0.004 0.000 1.144 400 T CB -0.450 68.444 68.868 0.043 0.000 0.866 400 T HN 0.456 nan 8.240 nan 0.000 0.434 401 W N 0.777 121.976 121.300 -0.168 0.000 2.379 401 W HA -0.150 4.509 4.660 -0.002 0.000 0.307 401 W C 2.192 178.563 176.519 -0.247 0.000 1.200 401 W CA 1.180 58.389 57.345 -0.228 0.000 1.297 401 W CB -0.676 28.614 29.460 -0.283 0.000 1.140 401 W HN 0.444 nan 8.180 nan 0.000 0.507 402 W N 3.321 124.298 121.300 -0.538 0.000 2.338 402 W HA -0.256 4.403 4.660 -0.001 0.000 0.304 402 W C 2.560 178.817 176.519 -0.436 0.000 1.212 402 W CA 3.817 60.764 57.345 -0.663 0.000 1.264 402 W CB -1.035 27.894 29.460 -0.884 0.000 1.142 402 W HN -0.089 nan 8.180 nan 0.000 0.512 403 T N -0.464 113.380 114.554 -1.184 0.000 2.821 403 T HA -0.249 4.100 4.350 -0.002 0.000 0.267 403 T C 1.469 175.783 174.700 -0.643 0.000 1.046 403 T CA 1.706 63.044 62.100 -1.270 0.000 1.139 403 T CB -0.795 67.436 68.868 -1.061 0.000 0.871 403 T HN 0.643 nan 8.240 nan 0.000 0.454 404 E N -0.706 119.199 120.200 -0.490 0.000 2.472 404 E HA 0.101 4.450 4.350 -0.002 0.000 0.196 404 E C 0.189 176.606 176.600 -0.305 0.000 1.033 404 E CA -0.725 55.485 56.400 -0.317 0.000 0.886 404 E CB -0.198 29.375 29.700 -0.213 0.000 0.944 404 E HN 0.552 nan 8.360 nan 0.000 0.492 405 Y N 2.137 122.003 120.300 -0.723 0.000 2.336 405 Y HA -0.007 4.541 4.550 -0.002 0.000 0.331 405 Y C 0.985 176.577 175.900 -0.514 0.000 1.211 405 Y CA -1.350 56.217 58.100 -0.888 0.000 1.346 405 Y CB 0.522 38.055 38.460 -1.546 0.000 1.271 405 Y HN 0.125 nan 8.280 nan 0.000 0.538 406 W N 1.935 122.745 121.300 -0.818 0.000 2.737 406 W HA 0.113 4.772 4.660 -0.001 0.000 0.262 406 W C -0.205 175.988 176.519 -0.543 0.000 1.282 406 W CA -0.126 56.883 57.345 -0.561 0.000 1.386 406 W CB -0.453 28.751 29.460 -0.427 0.000 1.099 406 W HN 0.387 nan 8.180 nan 0.000 0.621 407 Q N 1.346 120.432 119.800 -1.189 0.000 2.373 407 Q HA 0.401 4.739 4.340 -0.002 0.000 0.255 407 Q C 0.146 176.007 176.000 -0.232 0.000 0.980 407 Q CA 0.110 55.559 55.803 -0.591 0.000 0.882 407 Q CB 1.449 29.795 28.738 -0.652 0.000 1.249 407 Q HN 0.020 nan 8.270 nan 0.000 0.438 408 A N 1.699 124.484 122.820 -0.058 0.000 2.388 408 A HA 0.522 4.841 4.320 -0.002 0.000 0.257 408 A C 0.211 177.853 177.584 0.097 0.000 1.095 408 A CA 0.070 52.136 52.037 0.048 0.000 0.791 408 A CB 0.831 19.861 19.000 0.050 0.000 1.029 408 A HN 0.645 nan 8.150 nan 0.000 0.489 409 T N 1.273 115.923 114.554 0.160 0.000 2.787 409 T HA 0.651 5.000 4.350 -0.002 0.000 0.297 409 T C -2.121 172.765 174.700 0.310 0.000 1.221 409 T CA -0.396 61.820 62.100 0.192 0.000 1.006 409 T CB 1.189 70.168 68.868 0.186 0.000 1.328 409 T HN 1.113 nan 8.240 nan 0.000 0.509 410 W N 4.146 125.480 121.300 0.058 0.000 4.071 410 W HA 0.479 5.138 4.660 -0.002 0.000 0.274 410 W C -2.390 174.120 176.519 -0.015 0.000 1.278 410 W CA -1.004 56.367 57.345 0.044 0.000 1.258 410 W CB 0.669 30.125 29.460 -0.007 0.000 1.236 410 W HN 0.859 nan 8.180 nan 0.000 0.530 411 I N 3.938 124.060 120.570 -0.747 0.000 2.689 411 I HA 0.681 4.850 4.170 -0.002 0.000 0.299 411 I C -2.107 173.413 176.117 -0.994 0.000 1.059 411 I CA -2.627 58.192 61.300 -0.801 0.000 1.055 411 I CB 1.970 39.420 38.000 -0.916 0.000 1.243 411 I HN 0.039 nan 8.210 nan 0.000 0.425 412 P HA -0.023 nan 4.420 nan 0.000 0.274 412 P C -0.364 176.860 177.300 -0.128 0.000 1.264 412 P CA -0.150 62.819 63.100 -0.219 0.000 0.795 412 P CB 0.375 32.115 31.700 0.067 0.000 1.064 413 E N 0.688 120.878 120.200 -0.018 0.000 2.765 413 E HA -0.052 4.297 4.350 -0.002 0.000 0.256 413 E C -0.623 176.045 176.600 0.114 0.000 0.935 413 E CA 0.250 56.641 56.400 -0.015 0.000 0.954 413 E CB 0.047 29.739 29.700 -0.013 0.000 0.908 413 E HN 0.378 nan 8.360 nan 0.000 0.500 414 W N 3.328 124.517 121.300 -0.184 0.000 3.018 414 W HA 0.551 5.209 4.660 -0.003 0.000 0.352 414 W C -1.356 175.090 176.519 -0.121 0.000 1.230 414 W CA -0.925 56.337 57.345 -0.138 0.000 1.162 414 W CB 0.388 29.697 29.460 -0.253 0.000 1.483 414 W HN 0.599 nan 8.180 nan 0.000 0.584 415 E N 0.530 120.753 120.200 0.038 0.000 2.430 415 E HA 0.474 4.823 4.350 -0.002 0.000 0.279 415 E C -2.027 174.688 176.600 0.191 0.000 1.003 415 E CA -0.860 55.436 56.400 -0.174 0.000 0.801 415 E CB 2.620 32.244 29.700 -0.127 0.000 1.313 415 E HN 0.210 nan 8.360 nan 0.000 0.459 416 F N 2.023 121.974 119.950 0.002 0.000 2.518 416 F HA 0.438 4.964 4.527 -0.001 0.000 0.359 416 F C -0.725 175.139 175.800 0.107 0.000 1.118 416 F CA -0.122 57.965 58.000 0.144 0.000 1.287 416 F CB 1.337 40.386 39.000 0.082 0.000 1.132 416 F HN 0.306 nan 8.300 nan 0.000 0.587 417 V N 6.434 125.826 119.914 -0.869 0.000 2.733 417 V HA 0.354 4.473 4.120 -0.002 0.000 0.306 417 V C -1.237 174.227 176.094 -1.050 0.000 1.084 417 V CA -0.840 61.014 62.300 -0.743 0.000 0.905 417 V CB 1.789 33.468 31.823 -0.241 0.000 1.010 417 V HN 0.827 nan 8.190 nan 0.000 0.424 418 N N 3.856 122.122 118.700 -0.725 0.000 3.083 418 N HA 0.360 5.099 4.740 -0.002 0.000 0.260 418 N C -0.638 174.789 175.510 -0.139 0.000 1.163 418 N CA 0.009 52.836 53.050 -0.372 0.000 1.060 418 N CB 0.354 38.799 38.487 -0.069 0.000 1.345 418 N HN 0.740 nan 8.380 nan 0.000 0.515 419 T N 3.598 118.085 114.554 -0.111 0.000 3.150 419 T HA 0.349 4.698 4.350 -0.002 0.000 0.383 419 T C -2.528 172.170 174.700 -0.003 0.000 1.313 419 T CA -1.090 60.982 62.100 -0.047 0.000 1.235 419 T CB 1.405 70.244 68.868 -0.047 0.000 1.088 419 T HN 0.260 nan 8.240 nan 0.000 0.556 420 P HA 0.238 nan 4.420 nan 0.000 0.270 420 P C -2.316 174.990 177.300 0.011 0.000 1.223 420 P CA -1.201 61.919 63.100 0.034 0.000 0.785 420 P CB -0.217 31.507 31.700 0.040 0.000 0.923 421 P HA 0.155 nan 4.420 nan 0.000 0.276 421 P C -0.624 176.720 177.300 0.073 0.000 1.230 421 P CA 0.098 63.227 63.100 0.047 0.000 0.776 421 P CB 0.563 32.289 31.700 0.043 0.000 0.888 422 L N 2.539 123.818 121.223 0.093 0.000 2.397 422 L HA 0.250 4.589 4.340 -0.002 0.000 0.271 422 L C 0.988 177.898 176.870 0.066 0.000 1.148 422 L CA -0.879 54.031 54.840 0.117 0.000 0.825 422 L CB 1.087 43.233 42.059 0.144 0.000 1.117 422 L HN 0.201 nan 8.230 nan 0.000 0.456 423 V N 4.715 124.682 119.914 0.088 0.000 2.488 423 V HA 0.354 4.473 4.120 -0.002 0.000 0.277 423 V C -0.096 175.927 176.094 -0.119 0.000 1.046 423 V CA -0.110 62.208 62.300 0.029 0.000 0.986 423 V CB 0.802 32.688 31.823 0.103 0.000 0.989 423 V HN 0.917 nan 8.190 nan 0.000 0.475 424 K N 5.460 125.664 120.400 -0.326 0.000 2.522 424 K HA 0.621 4.940 4.320 -0.002 0.000 0.275 424 K C -1.600 174.639 176.600 -0.601 0.000 1.006 424 K CA -1.127 54.888 56.287 -0.454 0.000 0.890 424 K CB 1.824 33.983 32.500 -0.568 0.000 1.475 424 K HN 0.531 nan 8.250 nan 0.000 0.441 425 L N 1.756 122.712 121.223 -0.446 0.000 2.290 425 L HA 0.252 4.591 4.340 -0.002 0.000 0.284 425 L C 0.056 176.707 176.870 -0.365 0.000 1.078 425 L CA -0.484 54.133 54.840 -0.373 0.000 0.815 425 L CB 0.378 42.316 42.059 -0.203 0.000 1.162 425 L HN 0.692 nan 8.230 nan 0.000 0.435 426 W N 3.027 124.241 121.300 -0.143 0.000 3.003 426 W HA 0.057 4.716 4.660 -0.002 0.000 0.257 426 W C -0.072 176.506 176.519 0.098 0.000 1.308 426 W CA -0.307 57.030 57.345 -0.013 0.000 1.529 426 W CB 0.311 29.798 29.460 0.045 0.000 1.115 426 W HN 0.492 nan 8.180 nan 0.000 0.659 427 Y N -2.178 118.246 120.300 0.206 0.000 2.620 427 Y HA 0.528 5.077 4.550 -0.002 0.000 0.331 427 Y C -1.204 174.762 175.900 0.110 0.000 1.173 427 Y CA -1.984 56.201 58.100 0.142 0.000 1.076 427 Y CB 0.377 38.916 38.460 0.133 0.000 1.336 427 Y HN -0.238 nan 8.280 nan 0.000 0.459 428 Q N 3.007 122.957 119.800 0.250 0.000 2.340 428 Q HA 0.580 4.919 4.340 -0.002 0.000 0.268 428 Q C -1.128 175.027 176.000 0.259 0.000 1.031 428 Q CA -0.972 54.942 55.803 0.185 0.000 0.804 428 Q CB 2.832 31.632 28.738 0.104 0.000 1.286 428 Q HN 0.702 nan 8.270 nan 0.000 0.448 429 L N 2.459 123.836 121.223 0.256 0.000 2.456 429 L HA 0.113 4.452 4.340 -0.002 0.000 0.272 429 L C 0.693 177.660 176.870 0.161 0.000 1.189 429 L CA -0.351 54.606 54.840 0.194 0.000 0.846 429 L CB 0.287 42.438 42.059 0.155 0.000 1.111 429 L HN 0.483 nan 8.230 nan 0.000 0.475 430 E N 2.418 122.726 120.200 0.180 0.000 2.438 430 E HA -0.021 4.327 4.350 -0.002 0.000 0.261 430 E C 0.326 177.092 176.600 0.276 0.000 1.103 430 E CA 0.257 56.783 56.400 0.211 0.000 0.959 430 E CB 0.686 30.533 29.700 0.244 0.000 0.958 430 E HN 0.429 nan 8.360 nan 0.000 0.447 431 K N 0.665 121.188 120.400 0.204 0.000 2.354 431 K HA 0.083 4.402 4.320 -0.002 0.000 0.194 431 K C -0.012 176.710 176.600 0.204 0.000 1.045 431 K CA 0.258 56.664 56.287 0.200 0.000 1.026 431 K CB 0.652 33.207 32.500 0.092 0.000 0.866 431 K HN 0.306 nan 8.250 nan 0.000 0.530 432 E N 0.816 121.025 120.200 0.014 0.000 2.343 432 E HA 0.292 4.641 4.350 -0.002 0.000 0.270 432 E C -2.742 173.356 176.600 -0.837 0.000 0.895 432 E CA -2.602 53.607 56.400 -0.319 0.000 0.767 432 E CB 1.573 31.172 29.700 -0.168 0.000 1.248 432 E HN -0.127 nan 8.360 nan 0.000 0.440 433 P HA 0.107 nan 4.420 nan 0.000 0.267 433 P C -0.118 176.963 177.300 -0.365 0.000 1.200 433 P CA 0.182 62.708 63.100 -0.956 0.000 0.772 433 P CB 0.540 31.901 31.700 -0.566 0.000 0.855 434 I N 1.802 122.264 120.570 -0.180 0.000 2.353 434 I HA 0.177 4.346 4.170 -0.002 0.000 0.293 434 I C 0.549 176.637 176.117 -0.048 0.000 0.992 434 I CA -1.044 60.212 61.300 -0.074 0.000 1.268 434 I CB 1.307 39.302 38.000 -0.008 0.000 1.387 434 I HN 0.032 nan 8.210 nan 0.000 0.478 435 V N 5.428 125.318 119.914 -0.039 0.000 2.686 435 V HA 0.343 4.462 4.120 -0.002 0.000 0.295 435 V C 1.197 177.288 176.094 -0.006 0.000 1.055 435 V CA 0.602 62.889 62.300 -0.022 0.000 1.050 435 V CB 0.847 32.657 31.823 -0.022 0.000 0.984 435 V HN 1.131 nan 8.190 nan 0.000 0.482 436 G N 3.370 112.170 108.800 0.001 0.000 2.148 436 G HA2 -0.094 3.865 3.960 -0.002 0.000 0.254 436 G HA3 -0.094 3.865 3.960 -0.002 0.000 0.254 436 G C 0.235 175.145 174.900 0.016 0.000 0.981 436 G CA 0.190 45.295 45.100 0.007 0.000 0.670 436 G HN 1.546 nan 8.290 nan 0.000 0.528 437 A N -0.114 122.719 122.820 0.021 0.000 2.303 437 A HA 0.741 5.060 4.320 -0.002 0.000 0.320 437 A C 0.231 177.849 177.584 0.057 0.000 1.192 437 A CA 0.068 52.129 52.037 0.040 0.000 0.821 437 A CB 0.819 19.843 19.000 0.041 0.000 1.188 437 A HN 0.543 nan 8.150 nan 0.000 0.492 438 E N 1.392 121.640 120.200 0.079 0.000 2.502 438 E HA 0.095 4.444 4.350 -0.002 0.000 0.261 438 E C -0.488 176.189 176.600 0.128 0.000 0.974 438 E CA 0.514 56.961 56.400 0.078 0.000 0.936 438 E CB 0.392 30.147 29.700 0.091 0.000 0.926 438 E HN 0.551 nan 8.360 nan 0.000 0.459 439 T N 5.361 119.955 114.554 0.067 0.000 2.738 439 T HA 0.232 4.580 4.350 -0.002 0.000 0.298 439 T C -0.709 174.021 174.700 0.050 0.000 0.962 439 T CA -0.272 61.866 62.100 0.064 0.000 0.972 439 T CB -0.068 68.821 68.868 0.034 0.000 0.928 439 T HN 0.229 nan 8.240 nan 0.000 0.474 440 F N 3.319 123.205 119.950 -0.107 0.000 2.375 440 F HA 0.335 4.861 4.527 -0.002 0.000 0.362 440 F C 0.033 175.781 175.800 -0.087 0.000 1.129 440 F CA -1.119 56.832 58.000 -0.081 0.000 1.154 440 F CB 0.357 39.249 39.000 -0.180 0.000 1.205 440 F HN 0.532 nan 8.300 nan 0.000 0.513 441 Y N 3.768 124.150 120.300 0.137 0.000 2.539 441 Y HA 0.389 4.938 4.550 -0.002 0.000 0.352 441 Y C 0.410 176.414 175.900 0.173 0.000 1.004 441 Y CA -0.761 57.409 58.100 0.116 0.000 1.278 441 Y CB 0.315 38.809 38.460 0.057 0.000 1.136 441 Y HN 0.367 nan 8.280 nan 0.000 0.528 442 V N 0.032 120.096 119.914 0.250 0.000 2.975 442 V HA 0.795 4.913 4.120 -0.002 0.000 0.318 442 V C -0.697 175.501 176.094 0.174 0.000 1.077 442 V CA -0.607 61.841 62.300 0.247 0.000 1.000 442 V CB 2.249 34.194 31.823 0.204 0.000 1.066 442 V HN 0.598 nan 8.190 nan 0.000 0.452 443 D N 0.247 120.739 120.400 0.154 0.000 2.787 443 D HA 0.613 5.252 4.640 -0.002 0.000 0.215 443 D C -0.571 175.788 176.300 0.099 0.000 1.246 443 D CA 0.388 54.455 54.000 0.112 0.000 0.798 443 D CB 1.965 42.823 40.800 0.097 0.000 1.649 443 D HN 1.183 nan 8.370 nan 0.000 0.507 444 G N 0.251 109.104 108.800 0.089 0.000 2.563 444 G HA2 0.903 4.862 3.960 -0.002 0.000 0.302 444 G HA3 0.903 4.862 3.960 -0.002 0.000 0.302 444 G C -1.386 173.550 174.900 0.060 0.000 1.301 444 G CA -0.215 44.931 45.100 0.077 0.000 0.965 444 G HN 0.610 nan 8.290 nan 0.000 0.480 445 A N -0.665 122.182 122.820 0.045 0.000 2.602 445 A HA 1.033 5.352 4.320 -0.002 0.000 0.290 445 A C -0.861 176.736 177.584 0.022 0.000 1.114 445 A CA -0.147 51.908 52.037 0.030 0.000 0.683 445 A CB 1.559 20.573 19.000 0.024 0.000 1.281 445 A HN 2.425 nan 8.150 nan 0.000 0.416 446 A N 0.514 123.341 122.820 0.011 0.000 2.488 446 A HA 0.659 4.978 4.320 -0.002 0.000 0.295 446 A C -0.862 176.722 177.584 -0.000 0.000 1.045 446 A CA -0.311 51.731 52.037 0.007 0.000 0.703 446 A CB 0.862 19.866 19.000 0.006 0.000 1.271 446 A HN 1.003 nan 8.150 nan 0.000 0.400 447 N N 1.438 120.139 118.700 0.001 0.000 2.430 447 N HA 0.171 4.909 4.740 -0.002 0.000 0.265 447 N C 1.119 176.628 175.510 -0.003 0.000 1.100 447 N CA -0.542 52.507 53.050 -0.002 0.000 0.961 447 N CB 0.592 39.080 38.487 0.000 0.000 1.075 447 N HN 0.665 nan 8.380 nan 0.000 0.478 448 R N 2.170 122.667 120.500 -0.007 0.000 2.115 448 R HA -0.128 4.211 4.340 -0.002 0.000 0.230 448 R C 0.910 177.207 176.300 -0.005 0.000 1.111 448 R CA 1.254 57.350 56.100 -0.007 0.000 0.976 448 R CB 0.053 30.346 30.300 -0.010 0.000 0.870 448 R HN 0.652 nan 8.270 nan 0.000 0.445 449 E N -0.961 119.237 120.200 -0.003 0.000 2.371 449 E HA -0.012 4.337 4.350 -0.002 0.000 0.194 449 E C 1.221 177.821 176.600 -0.000 0.000 1.012 449 E CA 0.844 57.243 56.400 -0.002 0.000 0.860 449 E CB 0.470 30.169 29.700 -0.001 0.000 0.811 449 E HN 0.147 nan 8.360 nan 0.000 0.502 450 T N -0.640 113.915 114.554 0.000 0.000 3.034 450 T HA 0.056 4.405 4.350 -0.002 0.000 0.248 450 T C 0.398 175.100 174.700 0.003 0.000 1.040 450 T CA 0.162 62.264 62.100 0.002 0.000 1.107 450 T CB 0.237 69.106 68.868 0.003 0.000 0.932 450 T HN -0.098 nan 8.240 nan 0.000 0.474 451 K N -0.410 119.991 120.400 0.003 0.000 3.446 451 K HA -0.092 4.227 4.320 -0.002 0.000 0.312 451 K C -0.577 176.027 176.600 0.007 0.000 1.329 451 K CA 0.121 56.411 56.287 0.004 0.000 0.935 451 K CB -2.050 30.453 32.500 0.005 0.000 1.281 451 K HN 0.237 nan 8.250 nan 0.000 0.457 452 L N -0.200 121.027 121.223 0.007 0.000 2.350 452 L HA 0.643 4.982 4.340 -0.002 0.000 0.275 452 L C 0.883 177.760 176.870 0.011 0.000 1.099 452 L CA 0.620 55.466 54.840 0.009 0.000 0.808 452 L CB 1.273 43.337 42.059 0.007 0.000 1.149 452 L HN 0.233 nan 8.230 nan 0.000 0.442 453 G N 2.837 111.646 108.800 0.015 0.000 2.612 453 G HA2 0.654 4.612 3.960 -0.002 0.000 0.298 453 G HA3 0.654 4.612 3.960 -0.002 0.000 0.298 453 G C -1.467 173.445 174.900 0.020 0.000 1.336 453 G CA -0.644 44.468 45.100 0.020 0.000 0.953 453 G HN 0.460 nan 8.290 nan 0.000 0.482 454 K N -0.270 120.143 120.400 0.022 0.000 2.316 454 K HA 0.766 5.085 4.320 -0.002 0.000 0.251 454 K C -0.707 175.912 176.600 0.031 0.000 0.934 454 K CA -0.659 55.639 56.287 0.019 0.000 0.802 454 K CB 2.690 35.197 32.500 0.011 0.000 1.171 454 K HN 0.692 nan 8.250 nan 0.000 0.426 455 A N 1.278 124.117 122.820 0.031 0.000 2.422 455 A HA 0.889 5.208 4.320 -0.002 0.000 0.302 455 A C -0.683 176.918 177.584 0.029 0.000 1.041 455 A CA -0.477 51.590 52.037 0.050 0.000 0.708 455 A CB 1.793 20.838 19.000 0.075 0.000 1.257 455 A HN 0.781 nan 8.150 nan 0.000 0.414 456 G N -0.117 108.712 108.800 0.048 0.000 2.548 456 G HA2 0.733 4.692 3.960 -0.002 0.000 0.301 456 G HA3 0.733 4.692 3.960 -0.002 0.000 0.301 456 G C -1.577 173.393 174.900 0.118 0.000 1.349 456 G CA 0.043 45.130 45.100 -0.021 0.000 0.792 456 G HN 1.945 nan 8.290 nan 0.000 0.481 457 Y N -2.358 118.009 120.300 0.113 0.000 2.581 457 Y HA 0.798 5.346 4.550 -0.002 0.000 0.337 457 Y C -1.104 174.839 175.900 0.072 0.000 1.108 457 Y CA -1.647 56.541 58.100 0.147 0.000 1.033 457 Y CB 1.098 39.735 38.460 0.295 0.000 1.318 457 Y HN 0.559 nan 8.280 nan 0.000 0.459 458 V N 1.928 122.042 119.914 0.333 0.000 2.864 458 V HA 0.858 4.977 4.120 -0.002 0.000 0.314 458 V C -0.105 176.067 176.094 0.130 0.000 1.073 458 V CA -0.119 62.295 62.300 0.189 0.000 0.956 458 V CB 2.010 33.866 31.823 0.056 0.000 1.023 458 V HN 1.144 nan 8.190 nan 0.000 0.435 459 T N -1.117 113.420 114.554 -0.028 0.000 2.907 459 T HA 0.310 4.659 4.350 -0.002 0.000 0.290 459 T C 0.704 175.376 174.700 -0.047 0.000 1.066 459 T CA -0.398 61.615 62.100 -0.145 0.000 1.012 459 T CB 1.692 70.234 68.868 -0.544 0.000 1.184 459 T HN 0.683 nan 8.240 nan 0.000 0.522 460 N N 0.621 119.318 118.700 -0.005 0.000 2.494 460 N HA -0.063 4.676 4.740 -0.002 0.000 0.182 460 N C 1.118 176.613 175.510 -0.026 0.000 1.076 460 N CA 0.266 53.325 53.050 0.014 0.000 0.908 460 N CB -0.239 38.286 38.487 0.065 0.000 0.967 460 N HN 0.644 nan 8.380 nan 0.000 0.449 461 R N -0.478 119.986 120.500 -0.060 0.000 2.359 461 R HA 0.193 4.532 4.340 -0.002 0.000 0.231 461 R C 0.733 177.002 176.300 -0.052 0.000 0.913 461 R CA 0.445 56.513 56.100 -0.053 0.000 1.075 461 R CB 0.210 30.473 30.300 -0.062 0.000 1.087 461 R HN 0.365 nan 8.270 nan 0.000 0.515 462 G N 1.612 110.378 108.800 -0.056 0.000 2.176 462 G HA2 -0.336 3.623 3.960 -0.002 0.000 0.253 462 G HA3 -0.336 3.623 3.960 -0.002 0.000 0.253 462 G C 0.165 175.049 174.900 -0.026 0.000 0.979 462 G CA -0.136 44.941 45.100 -0.038 0.000 0.641 462 G HN 0.273 nan 8.290 nan 0.000 0.530 463 R N 0.626 121.101 120.500 -0.041 0.000 2.679 463 R HA 0.536 4.875 4.340 -0.002 0.000 0.268 463 R C 0.665 177.026 176.300 0.102 0.000 1.044 463 R CA 0.756 56.870 56.100 0.023 0.000 1.105 463 R CB 0.272 30.565 30.300 -0.011 0.000 0.989 463 R HN 0.536 nan 8.270 nan 0.000 0.447 464 Q N 1.212 121.078 119.800 0.111 0.000 2.534 464 Q HA 0.491 4.829 4.340 -0.002 0.000 0.290 464 Q C -1.451 174.403 176.000 -0.243 0.000 0.991 464 Q CA -1.096 54.689 55.803 -0.030 0.000 0.783 464 Q CB 3.124 31.835 28.738 -0.044 0.000 1.470 464 Q HN 0.438 nan 8.270 nan 0.000 0.406 465 K N 0.210 120.339 120.400 -0.452 0.000 2.768 465 K HA 0.416 4.735 4.320 -0.002 0.000 0.283 465 K C -2.426 173.939 176.600 -0.392 0.000 1.078 465 K CA -0.449 55.558 56.287 -0.467 0.000 0.920 465 K CB 1.910 34.005 32.500 -0.675 0.000 1.390 465 K HN 0.394 nan 8.250 nan 0.000 0.389 466 V N 4.279 124.068 119.914 -0.208 0.000 2.808 466 V HA 0.795 4.913 4.120 -0.002 0.000 0.308 466 V C -1.585 174.465 176.094 -0.074 0.000 1.099 466 V CA -0.284 61.941 62.300 -0.125 0.000 0.920 466 V CB 1.910 33.685 31.823 -0.079 0.000 1.014 466 V HN 0.637 nan 8.190 nan 0.000 0.425 467 V N 2.736 122.627 119.914 -0.040 0.000 2.656 467 V HA 0.765 4.884 4.120 -0.002 0.000 0.307 467 V C -0.104 175.993 176.094 0.004 0.000 1.051 467 V CA -0.302 61.991 62.300 -0.012 0.000 0.893 467 V CB 1.693 33.519 31.823 0.005 0.000 0.999 467 V HN 0.856 nan 8.190 nan 0.000 0.426 468 T N 6.015 120.572 114.554 0.006 0.000 2.889 468 T HA 0.757 5.106 4.350 -0.002 0.000 0.291 468 T C -0.397 174.315 174.700 0.020 0.000 0.995 468 T CA -0.037 62.070 62.100 0.011 0.000 1.092 468 T CB 0.933 69.805 68.868 0.007 0.000 0.954 468 T HN 0.620 nan 8.240 nan 0.000 0.506 469 L N 2.463 123.700 121.223 0.023 0.000 2.370 469 L HA 0.660 4.999 4.340 -0.002 0.000 0.266 469 L C 0.606 177.489 176.870 0.022 0.000 1.002 469 L CA -0.877 53.980 54.840 0.027 0.000 0.818 469 L CB 2.261 44.343 42.059 0.037 0.000 1.325 469 L HN 0.757 nan 8.230 nan 0.000 0.418 470 T N -3.238 111.329 114.554 0.021 0.000 2.940 470 T HA 0.517 4.866 4.350 -0.002 0.000 0.288 470 T C 0.086 174.796 174.700 0.016 0.000 1.033 470 T CA 0.044 62.153 62.100 0.016 0.000 1.033 470 T CB 1.442 70.318 68.868 0.014 0.000 1.079 470 T HN 0.847 nan 8.240 nan 0.000 0.496 471 D N -1.581 118.827 120.400 0.013 0.000 2.955 471 D HA -0.215 4.424 4.640 -0.002 0.000 0.226 471 D C 0.004 176.312 176.300 0.013 0.000 1.178 471 D CA 1.756 55.763 54.000 0.011 0.000 0.808 471 D CB -2.178 38.629 40.800 0.011 0.000 1.099 471 D HN 0.764 nan 8.370 nan 0.000 0.421 472 T N -1.298 113.265 114.554 0.016 0.000 2.881 472 T HA 0.622 4.971 4.350 -0.002 0.000 0.278 472 T C 0.348 175.055 174.700 0.012 0.000 0.982 472 T CA 0.232 62.343 62.100 0.019 0.000 0.989 472 T CB 1.257 70.141 68.868 0.027 0.000 1.058 472 T HN 0.521 nan 8.240 nan 0.000 0.529 473 T N 0.665 115.225 114.554 0.010 0.000 2.949 473 T HA 0.416 4.765 4.350 -0.002 0.000 0.287 473 T C 1.195 175.893 174.700 -0.003 0.000 1.034 473 T CA -0.881 61.216 62.100 -0.005 0.000 1.018 473 T CB 1.015 69.870 68.868 -0.022 0.000 1.135 473 T HN 0.465 nan 8.240 nan 0.000 0.532 474 N N 0.301 118.989 118.700 -0.020 0.000 2.149 474 N HA -0.117 4.622 4.740 -0.002 0.000 0.188 474 N C 1.933 177.438 175.510 -0.008 0.000 1.019 474 N CA 1.448 54.491 53.050 -0.012 0.000 0.857 474 N CB -0.332 38.138 38.487 -0.027 0.000 0.997 474 N HN 0.658 nan 8.380 nan 0.000 0.426 475 Q N 0.430 120.186 119.800 -0.073 0.000 2.119 475 Q HA -0.050 4.289 4.340 -0.002 0.000 0.201 475 Q C 1.782 177.846 176.000 0.108 0.000 0.972 475 Q CA 0.981 56.717 55.803 -0.112 0.000 0.847 475 Q CB -0.013 28.444 28.738 -0.469 0.000 0.903 475 Q HN 0.396 nan 8.270 nan 0.000 0.433 476 K N 0.283 120.726 120.400 0.071 0.000 2.057 476 K HA -0.100 4.218 4.320 -0.002 0.000 0.206 476 K C 2.420 179.081 176.600 0.101 0.000 1.050 476 K CA 1.742 58.090 56.287 0.100 0.000 0.935 476 K CB -0.280 32.259 32.500 0.064 0.000 0.715 476 K HN 0.317 nan 8.250 nan 0.000 0.439 477 T N -0.428 114.174 114.554 0.081 0.000 2.788 477 T HA -0.136 4.213 4.350 -0.002 0.000 0.268 477 T C 1.720 176.483 174.700 0.105 0.000 1.044 477 T CA 1.178 63.328 62.100 0.083 0.000 1.139 477 T CB -0.214 68.691 68.868 0.061 0.000 0.867 477 T HN 0.246 nan 8.240 nan 0.000 0.454 478 E N 0.528 120.801 120.200 0.122 0.000 2.153 478 E HA -0.009 4.340 4.350 -0.002 0.000 0.194 478 E C 1.959 178.645 176.600 0.144 0.000 0.988 478 E CA 0.706 57.192 56.400 0.143 0.000 0.811 478 E CB -0.174 29.636 29.700 0.183 0.000 0.746 478 E HN 0.277 nan 8.360 nan 0.000 0.466 479 L N 0.870 122.184 121.223 0.151 0.000 2.131 479 L HA -0.112 4.227 4.340 -0.002 0.000 0.206 479 L C 2.164 179.110 176.870 0.127 0.000 1.087 479 L CA 1.460 56.368 54.840 0.114 0.000 0.767 479 L CB -0.344 41.779 42.059 0.106 0.000 0.917 479 L HN 0.046 nan 8.230 nan 0.000 0.441 480 Q N -0.689 119.195 119.800 0.139 0.000 2.084 480 Q HA -0.125 4.214 4.340 -0.002 0.000 0.202 480 Q C 2.286 178.401 176.000 0.191 0.000 0.978 480 Q CA 1.646 57.559 55.803 0.183 0.000 0.844 480 Q CB -0.466 28.357 28.738 0.142 0.000 0.898 480 Q HN 0.532 nan 8.270 nan 0.000 0.426 481 A N 0.669 123.580 122.820 0.152 0.000 1.972 481 A HA -0.124 4.194 4.320 -0.002 0.000 0.219 481 A C 2.116 179.792 177.584 0.154 0.000 1.169 481 A CA 0.987 53.120 52.037 0.159 0.000 0.635 481 A CB -0.516 18.571 19.000 0.145 0.000 0.810 481 A HN 0.299 nan 8.150 nan 0.000 0.446 482 I N -2.321 118.322 120.570 0.122 0.000 2.406 482 I HA -0.161 4.008 4.170 -0.002 0.000 0.249 482 I C 2.395 178.552 176.117 0.067 0.000 1.122 482 I CA 1.005 62.344 61.300 0.066 0.000 1.431 482 I CB -0.340 37.688 38.000 0.046 0.000 1.087 482 I HN 0.454 nan 8.210 nan 0.000 0.424 483 Y N 1.825 122.112 120.300 -0.021 0.000 2.165 483 Y HA -0.248 4.301 4.550 -0.002 0.000 0.286 483 Y C 2.289 178.174 175.900 -0.025 0.000 1.155 483 Y CA 1.482 59.562 58.100 -0.033 0.000 1.164 483 Y CB -0.473 37.983 38.460 -0.007 0.000 0.978 483 Y HN 0.041 nan 8.280 nan 0.000 0.513 484 L N -0.774 120.419 121.223 -0.050 0.000 2.046 484 L HA -0.247 4.092 4.340 -0.002 0.000 0.208 484 L C 2.697 179.510 176.870 -0.096 0.000 1.077 484 L CA 1.310 56.126 54.840 -0.041 0.000 0.747 484 L CB -0.953 41.230 42.059 0.206 0.000 0.896 484 L HN 0.304 nan 8.230 nan 0.000 0.432 485 A N -0.260 122.459 122.820 -0.170 0.000 1.972 485 A HA -0.166 4.153 4.320 -0.002 0.000 0.219 485 A C 2.206 179.287 177.584 -0.839 0.000 1.169 485 A CA 1.347 52.937 52.037 -0.745 0.000 0.635 485 A CB -0.528 18.126 19.000 -0.577 0.000 0.810 485 A HN 0.392 nan 8.150 nan 0.000 0.446 486 L N -1.269 119.685 121.223 -0.448 0.000 2.131 486 L HA -0.182 4.157 4.340 -0.002 0.000 0.206 486 L C 2.855 179.531 176.870 -0.324 0.000 1.087 486 L CA 1.216 55.846 54.840 -0.351 0.000 0.767 486 L CB -0.531 41.423 42.059 -0.175 0.000 0.917 486 L HN 0.474 nan 8.230 nan 0.000 0.441 487 Q N -0.139 119.444 119.800 -0.362 0.000 2.079 487 Q HA -0.190 4.149 4.340 -0.002 0.000 0.200 487 Q C 1.252 177.144 176.000 -0.181 0.000 0.974 487 Q CA 1.420 57.051 55.803 -0.286 0.000 0.840 487 Q CB 0.024 28.540 28.738 -0.369 0.000 0.898 487 Q HN 0.448 nan 8.270 nan 0.000 0.430 488 D N 0.144 120.437 120.400 -0.179 0.000 2.349 488 D HA -0.003 4.636 4.640 -0.002 0.000 0.215 488 D C 0.414 176.698 176.300 -0.026 0.000 1.016 488 D CA 0.274 54.252 54.000 -0.036 0.000 0.870 488 D CB 0.178 41.060 40.800 0.136 0.000 0.917 488 D HN 0.129 nan 8.370 nan 0.000 0.524 489 S N -0.616 114.950 115.700 -0.224 0.000 2.672 489 S HA 0.641 5.110 4.470 -0.002 0.000 0.276 489 S C 0.836 175.402 174.600 -0.056 0.000 1.207 489 S CA -0.734 57.380 58.200 -0.144 0.000 1.002 489 S CB 1.862 64.789 63.200 -0.454 0.000 0.998 489 S HN 0.065 nan 8.310 nan 0.000 0.542 490 G N -0.373 108.431 108.800 0.006 0.000 2.553 490 G HA2 0.396 4.355 3.960 -0.002 0.000 0.278 490 G HA3 0.396 4.355 3.960 -0.002 0.000 0.278 490 G C 0.618 175.506 174.900 -0.020 0.000 1.349 490 G CA -0.915 44.185 45.100 -0.000 0.000 1.037 490 G HN 0.704 nan 8.290 nan 0.000 0.508 491 L N -0.687 120.531 121.223 -0.007 0.000 2.265 491 L HA 0.061 4.400 4.340 -0.002 0.000 0.215 491 L C 0.996 177.864 176.870 -0.003 0.000 1.117 491 L CA 1.108 55.944 54.840 -0.007 0.000 0.782 491 L CB -0.270 41.792 42.059 0.005 0.000 0.914 491 L HN 0.444 nan 8.230 nan 0.000 0.441 492 E N -0.602 119.601 120.200 0.006 0.000 2.222 492 E HA 0.576 4.924 4.350 -0.002 0.000 0.267 492 E C -1.221 175.391 176.600 0.020 0.000 0.884 492 E CA -0.390 56.020 56.400 0.016 0.000 0.764 492 E CB 3.239 32.953 29.700 0.024 0.000 1.169 492 E HN -0.180 nan 8.360 nan 0.000 0.413 493 V N 2.968 122.895 119.914 0.021 0.000 2.950 493 V HA 0.289 4.408 4.120 -0.002 0.000 0.295 493 V C -1.813 174.316 176.094 0.058 0.000 1.297 493 V CA -0.722 61.598 62.300 0.033 0.000 0.962 493 V CB 2.178 33.953 31.823 -0.079 0.000 1.081 493 V HN 0.692 nan 8.190 nan 0.000 0.432 494 N N 5.923 124.683 118.700 0.101 0.000 2.443 494 N HA 0.651 5.389 4.740 -0.002 0.000 0.295 494 N C -1.108 174.440 175.510 0.064 0.000 1.076 494 N CA -0.286 52.840 53.050 0.126 0.000 0.919 494 N CB 2.378 40.946 38.487 0.134 0.000 1.176 494 N HN 0.612 nan 8.380 nan 0.000 0.487 495 I N 1.680 122.254 120.570 0.007 0.000 2.478 495 I HA 0.260 4.429 4.170 -0.002 0.000 0.287 495 I C -0.652 175.406 176.117 -0.098 0.000 1.042 495 I CA -0.892 60.381 61.300 -0.045 0.000 1.067 495 I CB 2.147 40.105 38.000 -0.070 0.000 1.233 495 I HN 0.013 nan 8.210 nan 0.000 0.431 496 V N 4.771 124.585 119.914 -0.166 0.000 2.384 496 V HA 0.535 4.654 4.120 -0.002 0.000 0.287 496 V C 0.052 176.095 176.094 -0.084 0.000 1.020 496 V CA -0.312 61.867 62.300 -0.201 0.000 0.850 496 V CB 1.638 33.161 31.823 -0.501 0.000 0.987 496 V HN 0.807 nan 8.190 nan 0.000 0.436 497 T N 1.520 116.043 114.554 -0.053 0.000 2.901 497 T HA 0.472 4.821 4.350 -0.002 0.000 0.293 497 T C -0.151 174.477 174.700 -0.120 0.000 1.084 497 T CA -0.338 61.757 62.100 -0.008 0.000 1.008 497 T CB 1.891 70.799 68.868 0.065 0.000 1.170 497 T HN 0.847 nan 8.240 nan 0.000 0.509 498 D N 0.272 120.624 120.400 -0.079 0.000 2.479 498 D HA 0.192 4.831 4.640 -0.002 0.000 0.218 498 D C 0.284 176.730 176.300 0.243 0.000 1.177 498 D CA -0.201 53.666 54.000 -0.222 0.000 0.830 498 D CB 0.098 40.802 40.800 -0.161 0.000 1.014 498 D HN 0.245 nan 8.370 nan 0.000 0.503 499 S N 0.703 116.588 115.700 0.309 0.000 2.409 499 S HA 0.101 4.570 4.470 -0.002 0.000 0.308 499 S C 1.066 175.897 174.600 0.384 0.000 1.080 499 S CA -0.508 57.898 58.200 0.343 0.000 1.081 499 S CB 1.063 64.414 63.200 0.250 0.000 1.009 499 S HN 0.247 nan 8.310 nan 0.000 0.502 500 Q N 4.646 124.635 119.800 0.315 0.000 2.124 500 Q HA -0.197 4.142 4.340 -0.002 0.000 0.202 500 Q C 1.422 177.452 176.000 0.050 0.000 0.977 500 Q CA 1.835 57.629 55.803 -0.015 0.000 0.850 500 Q CB -0.324 28.294 28.738 -0.199 0.000 0.901 500 Q HN 0.968 nan 8.270 nan 0.000 0.429 501 Y N 0.304 120.618 120.300 0.024 0.000 2.097 501 Y HA -0.261 4.288 4.550 -0.002 0.000 0.282 501 Y C 2.072 177.991 175.900 0.033 0.000 1.152 501 Y CA 2.014 60.130 58.100 0.027 0.000 1.136 501 Y CB -0.779 37.709 38.460 0.046 0.000 0.975 501 Y HN 0.211 nan 8.280 nan 0.000 0.498 502 A N 0.660 123.428 122.820 -0.087 0.000 1.930 502 A HA -0.141 4.178 4.320 -0.002 0.000 0.217 502 A C 2.434 179.935 177.584 -0.138 0.000 1.175 502 A CA 1.553 53.471 52.037 -0.198 0.000 0.627 502 A CB -1.163 17.842 19.000 0.007 0.000 0.815 502 A HN 0.645 nan 8.150 nan 0.000 0.443 503 L N -0.559 120.639 121.223 -0.041 0.000 2.056 503 L HA -0.108 4.231 4.340 -0.002 0.000 0.207 503 L C 2.508 179.340 176.870 -0.063 0.000 1.078 503 L CA 1.709 56.530 54.840 -0.031 0.000 0.749 503 L CB -0.881 41.178 42.059 -0.001 0.000 0.901 503 L HN 0.448 nan 8.230 nan 0.000 0.433 504 G N 0.472 109.212 108.800 -0.100 0.000 2.459 504 G HA2 -0.296 3.663 3.960 -0.002 0.000 0.217 504 G HA3 -0.296 3.663 3.960 -0.002 0.000 0.217 504 G C 1.522 176.430 174.900 0.012 0.000 1.183 504 G CA 1.138 46.197 45.100 -0.068 0.000 0.776 504 G HN 0.401 nan 8.290 nan 0.000 0.552 505 I N 0.538 121.039 120.570 -0.115 0.000 2.099 505 I HA -0.202 3.967 4.170 -0.002 0.000 0.239 505 I C 2.742 178.846 176.117 -0.021 0.000 1.066 505 I CA 1.258 62.477 61.300 -0.136 0.000 1.324 505 I CB -0.292 37.450 38.000 -0.431 0.000 1.037 505 I HN 0.154 nan 8.210 nan 0.000 0.401 506 I N -0.028 120.520 120.570 -0.036 0.000 2.353 506 I HA -0.270 3.899 4.170 -0.002 0.000 0.248 506 I C 2.545 178.755 176.117 0.154 0.000 1.119 506 I CA 1.070 62.401 61.300 0.051 0.000 1.417 506 I CB -0.306 37.694 38.000 -0.000 0.000 1.078 506 I HN 0.289 nan 8.210 nan 0.000 0.421 507 Q N 1.072 120.949 119.800 0.127 0.000 2.439 507 Q HA -0.088 4.251 4.340 -0.002 0.000 0.211 507 Q C 1.837 178.018 176.000 0.301 0.000 0.978 507 Q CA 1.186 57.094 55.803 0.176 0.000 0.897 507 Q CB 0.028 28.831 28.738 0.108 0.000 0.956 507 Q HN 0.532 nan 8.270 nan 0.000 0.483 508 A N -0.236 122.793 122.820 0.349 0.000 2.278 508 A HA 0.006 4.325 4.320 -0.002 0.000 0.212 508 A C 0.061 177.880 177.584 0.391 0.000 1.213 508 A CA 0.173 52.487 52.037 0.463 0.000 0.840 508 A CB -0.083 19.207 19.000 0.483 0.000 0.866 508 A HN 0.514 nan 8.150 nan 0.000 0.489 509 Q N -0.998 118.983 119.800 0.301 0.000 2.453 509 Q HA -0.139 4.200 4.340 -0.002 0.000 0.294 509 Q C -2.156 173.873 176.000 0.047 0.000 1.295 509 Q CA 0.426 56.311 55.803 0.137 0.000 0.853 509 Q CB -1.828 26.937 28.738 0.046 0.000 1.193 509 Q HN 0.590 nan 8.270 nan 0.000 0.461 510 P HA -0.082 nan 4.420 nan 0.000 0.267 510 P C 0.085 177.482 177.300 0.163 0.000 1.200 510 P CA 0.744 63.923 63.100 0.133 0.000 0.772 510 P CB 0.562 32.359 31.700 0.162 0.000 0.855 511 D N 0.287 120.759 120.400 0.121 0.000 2.503 511 D HA 0.045 4.684 4.640 -0.002 0.000 0.218 511 D C 0.226 176.593 176.300 0.111 0.000 1.183 511 D CA 0.086 54.189 54.000 0.173 0.000 0.827 511 D CB 0.330 41.302 40.800 0.287 0.000 1.034 511 D HN 0.577 nan 8.370 nan 0.000 0.510 512 Q N -1.952 117.912 119.800 0.106 0.000 2.647 512 Q HA 0.579 4.918 4.340 -0.002 0.000 0.283 512 Q C -1.699 174.371 176.000 0.117 0.000 0.943 512 Q CA -0.949 54.904 55.803 0.083 0.000 0.813 512 Q CB 1.523 30.299 28.738 0.063 0.000 1.477 512 Q HN -0.052 nan 8.270 nan 0.000 0.393 513 S N -0.624 115.139 115.700 0.105 0.000 2.565 513 S HA 0.261 4.729 4.470 -0.002 0.000 0.269 513 S C -0.605 174.050 174.600 0.090 0.000 1.153 513 S CA -0.378 57.920 58.200 0.164 0.000 0.835 513 S CB 2.012 65.380 63.200 0.281 0.000 1.122 513 S HN 0.723 nan 8.310 nan 0.000 0.462 514 E N 0.812 121.052 120.200 0.067 0.000 2.371 514 E HA 0.097 4.445 4.350 -0.002 0.000 0.194 514 E C 0.148 176.781 176.600 0.055 0.000 1.012 514 E CA 0.164 56.583 56.400 0.032 0.000 0.860 514 E CB 0.326 30.020 29.700 -0.009 0.000 0.811 514 E HN 0.349 nan 8.360 nan 0.000 0.502 515 S N 0.520 116.285 115.700 0.108 0.000 2.513 515 S HA 0.041 4.510 4.470 -0.002 0.000 0.276 515 S C 0.845 175.465 174.600 0.032 0.000 1.254 515 S CA -0.474 57.781 58.200 0.090 0.000 1.053 515 S CB 1.340 64.632 63.200 0.154 0.000 0.958 515 S HN 0.093 nan 8.310 nan 0.000 0.491 516 E N 4.383 124.584 120.200 0.001 0.000 2.077 516 E HA -0.090 4.258 4.350 -0.002 0.000 0.193 516 E C 1.736 178.278 176.600 -0.096 0.000 0.989 516 E CA 1.347 57.725 56.400 -0.038 0.000 0.800 516 E CB -0.290 29.389 29.700 -0.034 0.000 0.746 516 E HN 0.799 nan 8.360 nan 0.000 0.452 517 L N -0.236 120.927 121.223 -0.101 0.000 1.978 517 L HA -0.255 4.084 4.340 -0.002 0.000 0.218 517 L C 2.317 179.061 176.870 -0.210 0.000 1.075 517 L CA 1.763 56.488 54.840 -0.193 0.000 0.767 517 L CB -0.454 41.546 42.059 -0.098 0.000 0.890 517 L HN 0.162 nan 8.230 nan 0.000 0.434 518 V N -0.181 119.672 119.914 -0.103 0.000 2.407 518 V HA -0.319 3.800 4.120 -0.002 0.000 0.248 518 V C 1.980 178.025 176.094 -0.082 0.000 1.055 518 V CA 2.264 64.506 62.300 -0.097 0.000 1.049 518 V CB -0.895 30.888 31.823 -0.067 0.000 0.662 518 V HN 0.532 nan 8.190 nan 0.000 0.455 519 N N -0.536 118.127 118.700 -0.062 0.000 2.223 519 N HA -0.195 4.544 4.740 -0.002 0.000 0.185 519 N C 1.960 177.411 175.510 -0.099 0.000 1.016 519 N CA 1.113 54.130 53.050 -0.056 0.000 0.863 519 N CB -0.073 38.390 38.487 -0.040 0.000 0.983 519 N HN 0.612 nan 8.380 nan 0.000 0.429 520 Q N 0.672 120.363 119.800 -0.181 0.000 2.020 520 Q HA -0.034 4.304 4.340 -0.002 0.000 0.198 520 Q C 2.114 178.004 176.000 -0.183 0.000 0.974 520 Q CA 0.849 56.513 55.803 -0.233 0.000 0.829 520 Q CB -0.056 28.381 28.738 -0.501 0.000 0.894 520 Q HN 0.414 nan 8.270 nan 0.000 0.433 521 I N 0.901 121.311 120.570 -0.268 0.000 2.236 521 I HA -0.328 3.841 4.170 -0.002 0.000 0.249 521 I C 2.214 178.276 176.117 -0.091 0.000 1.102 521 I CA 1.285 62.533 61.300 -0.087 0.000 1.365 521 I CB -0.276 37.663 38.000 -0.100 0.000 1.051 521 I HN 0.238 nan 8.210 nan 0.000 0.420 522 I N 0.201 120.715 120.570 -0.094 0.000 2.233 522 I HA -0.251 3.918 4.170 -0.002 0.000 0.243 522 I C 2.455 178.526 176.117 -0.078 0.000 1.093 522 I CA 1.206 62.460 61.300 -0.077 0.000 1.380 522 I CB -0.271 37.744 38.000 0.026 0.000 1.067 522 I HN 0.120 nan 8.210 nan 0.000 0.413 523 E N 0.426 120.592 120.200 -0.057 0.000 2.171 523 E HA -0.299 4.050 4.350 -0.002 0.000 0.197 523 E C 2.014 178.593 176.600 -0.036 0.000 0.997 523 E CA 1.252 57.622 56.400 -0.049 0.000 0.810 523 E CB -0.006 29.671 29.700 -0.038 0.000 0.738 523 E HN 0.276 nan 8.360 nan 0.000 0.467 524 Q N -0.270 119.516 119.800 -0.023 0.000 2.096 524 Q HA 0.029 4.368 4.340 -0.002 0.000 0.197 524 Q C 1.899 177.844 176.000 -0.091 0.000 0.964 524 Q CA 1.044 56.837 55.803 -0.016 0.000 0.838 524 Q CB -0.054 28.723 28.738 0.065 0.000 0.906 524 Q HN 0.332 nan 8.270 nan 0.000 0.444 525 L N -0.161 120.947 121.223 -0.191 0.000 2.141 525 L HA -0.135 4.203 4.340 -0.002 0.000 0.209 525 L C 1.863 178.618 176.870 -0.191 0.000 1.094 525 L CA 0.356 54.994 54.840 -0.337 0.000 0.763 525 L CB -0.404 41.140 42.059 -0.858 0.000 0.908 525 L HN 0.290 nan 8.230 nan 0.000 0.437 526 I N 0.439 120.967 120.570 -0.070 0.000 2.286 526 I HA -0.291 3.878 4.170 -0.002 0.000 0.248 526 I C 2.562 178.709 176.117 0.050 0.000 1.115 526 I CA 1.498 62.844 61.300 0.077 0.000 1.392 526 I CB -1.002 37.031 38.000 0.056 0.000 1.065 526 I HN 0.386 nan 8.210 nan 0.000 0.418 527 K N 1.187 121.588 120.400 0.002 0.000 2.148 527 K HA -0.126 4.192 4.320 -0.002 0.000 0.204 527 K C 0.982 177.585 176.600 0.004 0.000 1.050 527 K CA 0.773 57.062 56.287 0.003 0.000 0.942 527 K CB 0.261 32.753 32.500 -0.013 0.000 0.724 527 K HN 0.048 nan 8.250 nan 0.000 0.446 528 K N 1.097 121.489 120.400 -0.014 0.000 2.156 528 K HA -0.062 4.257 4.320 -0.002 0.000 0.242 528 K C 0.956 177.569 176.600 0.021 0.000 1.033 528 K CA 0.372 56.651 56.287 -0.013 0.000 0.878 528 K CB 0.929 33.405 32.500 -0.040 0.000 1.057 528 K HN 0.150 nan 8.250 nan 0.000 0.505 529 E N 0.330 120.544 120.200 0.022 0.000 2.290 529 E HA 0.065 4.414 4.350 -0.002 0.000 0.199 529 E C -0.670 175.959 176.600 0.048 0.000 0.912 529 E CA 0.804 57.227 56.400 0.038 0.000 0.924 529 E CB 0.600 30.318 29.700 0.030 0.000 0.901 529 E HN 0.350 nan 8.360 nan 0.000 0.487 530 K N 0.091 120.515 120.400 0.040 0.000 2.565 530 K HA 0.444 4.763 4.320 -0.002 0.000 0.251 530 K C -1.797 174.831 176.600 0.048 0.000 0.956 530 K CA -0.662 55.658 56.287 0.055 0.000 0.809 530 K CB 2.883 35.415 32.500 0.054 0.000 1.267 530 K HN -0.174 nan 8.250 nan 0.000 0.438 531 V N 3.315 123.267 119.914 0.063 0.000 2.483 531 V HA 0.310 4.429 4.120 -0.002 0.000 0.297 531 V C -1.345 174.822 176.094 0.121 0.000 1.027 531 V CA -0.879 61.450 62.300 0.049 0.000 0.855 531 V CB 1.260 33.073 31.823 -0.016 0.000 0.995 531 V HN 0.674 nan 8.190 nan 0.000 0.424 532 Y N 5.526 125.825 120.300 -0.003 0.000 2.341 532 Y HA 0.693 5.242 4.550 -0.002 0.000 0.337 532 Y C -0.753 175.146 175.900 -0.002 0.000 1.014 532 Y CA -0.799 57.305 58.100 0.007 0.000 1.111 532 Y CB 1.485 39.948 38.460 0.005 0.000 1.194 532 Y HN 0.575 nan 8.280 nan 0.000 0.462 533 L N 6.279 127.144 121.223 -0.597 0.000 2.333 533 L HA 0.879 5.218 4.340 -0.002 0.000 0.280 533 L C -1.157 175.366 176.870 -0.578 0.000 1.004 533 L CA -0.590 54.000 54.840 -0.417 0.000 0.820 533 L CB 1.074 43.008 42.059 -0.208 0.000 1.247 533 L HN 0.866 nan 8.230 nan 0.000 0.416 534 A N 4.255 126.893 122.820 -0.304 0.000 2.413 534 A HA 0.602 4.921 4.320 -0.002 0.000 0.307 534 A C -2.069 175.534 177.584 0.033 0.000 1.087 534 A CA -0.509 51.445 52.037 -0.138 0.000 0.750 534 A CB 1.439 20.436 19.000 -0.006 0.000 1.296 534 A HN 0.806 nan 8.150 nan 0.000 0.423 535 W N 1.861 123.121 121.300 -0.067 0.000 2.689 535 W HA 0.670 5.329 4.660 -0.002 0.000 0.340 535 W C -1.561 174.962 176.519 0.006 0.000 1.060 535 W CA -0.405 56.922 57.345 -0.030 0.000 1.218 535 W CB 1.694 31.133 29.460 -0.036 0.000 1.410 535 W HN 0.573 nan 8.180 nan 0.000 0.528 536 V N 5.848 125.048 119.914 -1.189 0.000 3.007 536 V HA 0.477 4.596 4.120 -0.002 0.000 0.311 536 V C -2.065 172.895 176.094 -1.890 0.000 1.120 536 V CA -2.180 59.423 62.300 -1.161 0.000 0.980 536 V CB 2.531 34.080 31.823 -0.457 0.000 1.033 536 V HN 0.437 nan 8.190 nan 0.000 0.429 537 P HA 0.256 nan 4.420 nan 0.000 0.276 537 P C -0.579 176.552 177.300 -0.282 0.000 1.235 537 P CA 0.094 62.831 63.100 -0.605 0.000 0.772 537 P CB 0.915 32.560 31.700 -0.092 0.000 0.871 538 A N 3.233 125.986 122.820 -0.111 0.000 2.407 538 A HA 0.212 4.531 4.320 -0.002 0.000 0.248 538 A C 0.808 178.463 177.584 0.118 0.000 1.082 538 A CA 0.194 52.231 52.037 -0.000 0.000 0.785 538 A CB -0.830 18.201 19.000 0.052 0.000 1.020 538 A HN 0.772 nan 8.150 nan 0.000 0.489 539 H N -0.854 118.198 119.070 -0.029 0.000 3.631 539 H HA -0.163 4.391 4.556 -0.002 0.000 0.202 539 H C 1.104 176.423 175.328 -0.015 0.000 1.029 539 H CA 1.794 57.835 56.048 -0.013 0.000 1.208 539 H CB -0.842 28.922 29.762 0.004 0.000 1.124 539 H HN 0.696 nan 8.280 nan 0.000 0.329 540 K N 0.841 121.256 120.400 0.025 0.000 2.486 540 K HA 0.194 4.513 4.320 -0.002 0.000 0.194 540 K C 1.232 177.802 176.600 -0.051 0.000 1.033 540 K CA 1.012 57.292 56.287 -0.010 0.000 1.004 540 K CB -0.161 32.334 32.500 -0.008 0.000 0.798 540 K HN 0.597 nan 8.250 nan 0.000 0.495 541 G N 0.816 109.570 108.800 -0.077 0.000 2.203 541 G HA2 -0.170 3.789 3.960 -0.002 0.000 0.231 541 G HA3 -0.170 3.789 3.960 -0.002 0.000 0.231 541 G C -0.276 174.584 174.900 -0.067 0.000 1.058 541 G CA -0.049 44.997 45.100 -0.090 0.000 0.781 541 G HN 0.104 nan 8.290 nan 0.000 0.496 542 I N 0.674 121.208 120.570 -0.060 0.000 2.581 542 I HA 0.378 4.547 4.170 -0.002 0.000 0.288 542 I C 2.116 178.193 176.117 -0.067 0.000 1.047 542 I CA 0.307 61.578 61.300 -0.050 0.000 1.374 542 I CB 0.277 38.252 38.000 -0.041 0.000 1.423 542 I HN 0.190 nan 8.210 nan 0.000 0.549 543 G N 4.284 113.042 108.800 -0.070 0.000 2.649 543 G HA2 -0.279 3.680 3.960 -0.002 0.000 0.220 543 G HA3 -0.279 3.680 3.960 -0.002 0.000 0.220 543 G C 1.329 176.087 174.900 -0.236 0.000 1.189 543 G CA 1.197 46.224 45.100 -0.123 0.000 0.777 543 G HN 0.811 nan 8.290 nan 0.000 0.602 544 G N 0.077 108.657 108.800 -0.366 0.000 2.539 544 G HA2 -0.085 3.874 3.960 -0.002 0.000 0.215 544 G HA3 -0.085 3.874 3.960 -0.002 0.000 0.215 544 G C 1.621 176.359 174.900 -0.271 0.000 1.141 544 G CA 0.995 45.587 45.100 -0.846 0.000 0.806 544 G HN 0.496 nan 8.290 nan 0.000 0.533 545 N N 1.005 119.693 118.700 -0.020 0.000 2.084 545 N HA -0.107 4.632 4.740 -0.002 0.000 0.190 545 N C 2.050 177.553 175.510 -0.012 0.000 1.030 545 N CA 1.258 54.331 53.050 0.037 0.000 0.849 545 N CB -0.173 38.316 38.487 0.004 0.000 1.012 545 N HN 0.154 nan 8.380 nan 0.000 0.423 546 E N 0.180 120.348 120.200 -0.054 0.000 2.097 546 E HA -0.204 4.145 4.350 -0.002 0.000 0.196 546 E C 1.836 178.404 176.600 -0.054 0.000 1.000 546 E CA 0.977 57.343 56.400 -0.057 0.000 0.804 546 E CB -0.132 29.520 29.700 -0.080 0.000 0.740 546 E HN 0.561 nan 8.360 nan 0.000 0.454 547 Q N 0.148 119.896 119.800 -0.087 0.000 1.975 547 Q HA -0.112 4.227 4.340 -0.002 0.000 0.205 547 Q C 2.316 178.295 176.000 -0.036 0.000 0.990 547 Q CA 1.088 56.842 55.803 -0.081 0.000 0.845 547 Q CB -0.948 27.708 28.738 -0.137 0.000 0.913 547 Q HN 0.207 nan 8.270 nan 0.000 0.420 548 V N 1.860 121.769 119.914 -0.008 0.000 3.510 548 V HA -0.117 4.002 4.120 -0.002 0.000 0.270 548 V C 1.563 177.677 176.094 0.034 0.000 1.201 548 V CA 1.246 63.564 62.300 0.030 0.000 1.166 548 V CB -0.278 31.601 31.823 0.094 0.000 0.825 548 V HN 0.280 nan 8.190 nan 0.000 0.484 549 D N 0.004 120.422 120.400 0.029 0.000 2.249 549 D HA -0.118 4.521 4.640 -0.002 0.000 0.205 549 D C 2.088 178.407 176.300 0.032 0.000 0.962 549 D CA 0.655 54.681 54.000 0.044 0.000 0.860 549 D CB 0.141 40.976 40.800 0.058 0.000 0.955 549 D HN 0.453 nan 8.370 nan 0.000 0.505 550 K N 0.884 121.290 120.400 0.010 0.000 2.228 550 K HA -0.039 4.279 4.320 -0.002 0.000 0.202 550 K C 2.164 178.764 176.600 -0.001 0.000 1.051 550 K CA 0.251 56.539 56.287 0.002 0.000 0.960 550 K CB -0.068 32.423 32.500 -0.015 0.000 0.743 550 K HN 0.242 nan 8.250 nan 0.000 0.458 551 L N 1.425 122.646 121.223 -0.003 0.000 2.127 551 L HA 0.008 4.346 4.340 -0.002 0.000 0.203 551 L C 1.594 178.461 176.870 -0.005 0.000 1.080 551 L CA 0.321 55.155 54.840 -0.011 0.000 0.768 551 L CB -0.168 41.877 42.059 -0.023 0.000 0.924 551 L HN -0.034 nan 8.230 nan 0.000 0.444 552 V N 0.000 119.918 119.914 0.007 0.000 2.409 552 V HA 0.000 4.119 4.120 -0.002 0.000 0.244 552 V CA 0.000 62.307 62.300 0.012 0.000 1.235 552 V CB 0.000 31.838 31.823 0.024 0.000 1.184 552 V HN 0.000 nan 8.190 nan 0.000 0.556