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 1s6p_1_B 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 FKKQNPDIVI YQYMDDLYVG SDLEIGQHRT DATA SEQUENCE KIEELRQHLL RWGLTTPDKK HQKEPPFLWM GYELHPDKWT VQPIVLPEKD DATA SEQUENCE SWTVNDIQKL VGKLNWASQI YPGIKVRQLS KLLRGTKALT EVIPLTEEAE DATA SEQUENCE LELAENREIL KEPVHGVYYD PSKDLIAEIQ KQGQGQWTYQ IYQEPFKNLK DATA SEQUENCE TGKYARMRGA HTNDVKQLTE AVQKITTESI VIWGKTPKFK LPIQKETWET DATA SEQUENCE WWTEYWQATW IPEWEFVNTP PLVKLWY 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 0.000 177.349 177.300 0.081 0.000 1.155 1 P CA 0.000 63.159 63.100 0.098 0.000 0.800 1 P CB 0.000 31.763 31.700 0.104 0.000 0.726 2 I N -0.468 120.149 120.570 0.078 0.000 4.541 2 I HA 0.194 4.364 4.170 -0.000 0.000 0.337 2 I C 0.060 176.216 176.117 0.065 0.000 1.338 2 I CA 0.383 61.723 61.300 0.067 0.000 1.244 2 I CB 0.163 38.199 38.000 0.061 0.000 1.417 2 I HN 0.175 nan 8.210 nan 0.000 0.501 3 S N 2.092 117.836 115.700 0.073 0.000 2.532 3 S HA 0.629 5.098 4.470 -0.000 0.000 0.256 3 S C -2.486 172.157 174.600 0.073 0.000 1.298 3 S CA -1.012 57.230 58.200 0.069 0.000 1.166 3 S CB 0.841 64.084 63.200 0.071 0.000 1.022 3 S HN -0.090 nan 8.310 nan 0.000 0.480 4 P HA 0.152 nan 4.420 nan 0.000 0.266 4 P C -0.564 176.779 177.300 0.071 0.000 1.180 4 P CA -0.061 63.081 63.100 0.070 0.000 0.765 4 P CB 0.289 32.025 31.700 0.061 0.000 0.806 5 I N 0.871 121.489 120.570 0.080 0.000 2.846 5 I HA 0.216 4.386 4.170 -0.000 0.000 0.307 5 I C 0.579 176.742 176.117 0.077 0.000 1.053 5 I CA -0.908 60.439 61.300 0.079 0.000 1.050 5 I CB 1.639 39.697 38.000 0.097 0.000 1.239 5 I HN 0.415 nan 8.210 nan 0.000 0.439 6 E N 3.123 123.364 120.200 0.068 0.000 1.944 6 E HA 0.091 4.441 4.350 -0.000 0.000 0.272 6 E C -0.058 176.593 176.600 0.084 0.000 1.195 6 E CA -0.261 56.178 56.400 0.066 0.000 0.926 6 E CB 0.375 30.106 29.700 0.051 0.000 1.051 6 E HN 0.691 nan 8.360 nan 0.000 0.404 7 T N 0.258 114.871 114.554 0.098 0.000 2.906 7 T HA -0.022 4.328 4.350 -0.000 0.000 0.329 7 T C 0.322 175.097 174.700 0.126 0.000 1.091 7 T CA -0.653 61.522 62.100 0.124 0.000 1.127 7 T CB 0.844 69.788 68.868 0.127 0.000 1.035 7 T HN 0.105 nan 8.240 nan 0.000 0.547 8 V N 6.502 126.514 119.914 0.163 0.000 2.320 8 V HA 0.299 4.419 4.120 -0.000 0.000 0.265 8 V C -1.766 174.455 176.094 0.211 0.000 1.048 8 V CA -1.831 60.577 62.300 0.179 0.000 0.865 8 V CB 0.270 32.224 31.823 0.219 0.000 1.043 8 V HN 0.878 nan 8.190 nan 0.000 0.474 9 P HA -0.047 nan 4.420 nan 0.000 0.263 9 P C -0.615 176.785 177.300 0.167 0.000 1.162 9 P CA 0.468 63.650 63.100 0.137 0.000 0.758 9 P CB 0.572 32.341 31.700 0.115 0.000 0.773 10 V N 4.007 123.913 119.914 -0.014 0.000 2.482 10 V HA 0.288 4.408 4.120 -0.000 0.000 0.295 10 V C 0.293 176.167 176.094 -0.368 0.000 1.026 10 V CA -0.552 61.534 62.300 -0.356 0.000 0.856 10 V CB 1.704 32.912 31.823 -1.025 0.000 1.001 10 V HN 0.460 nan 8.190 nan 0.000 0.424 11 K N 4.669 124.938 120.400 -0.217 0.000 2.293 11 K HA 0.539 4.858 4.320 -0.000 0.000 0.267 11 K C -0.596 175.935 176.600 -0.115 0.000 1.010 11 K CA -0.741 55.499 56.287 -0.079 0.000 0.875 11 K CB 1.395 33.957 32.500 0.103 0.000 1.106 11 K HN 0.546 nan 8.250 nan 0.000 0.450 12 L N 3.865 125.010 121.223 -0.130 0.000 2.483 12 L HA 0.097 4.437 4.340 -0.000 0.000 0.275 12 L C 0.156 177.008 176.870 -0.030 0.000 1.220 12 L CA 0.570 55.325 54.840 -0.141 0.000 0.833 12 L CB 0.441 42.322 42.059 -0.295 0.000 1.102 12 L HN 0.655 nan 8.230 nan 0.000 0.490 13 K N 4.729 125.118 120.400 -0.018 0.000 2.485 13 K HA 0.135 4.455 4.320 -0.000 0.000 0.277 13 K C -2.252 174.305 176.600 -0.071 0.000 0.990 13 K CA -1.076 55.175 56.287 -0.061 0.000 0.994 13 K CB 0.376 32.797 32.500 -0.132 0.000 0.906 13 K HN 0.446 nan 8.250 nan 0.000 0.488 14 P HA -0.030 nan 4.420 nan 0.000 0.264 14 P C 0.218 177.487 177.300 -0.053 0.000 1.183 14 P CA 1.126 64.195 63.100 -0.051 0.000 0.763 14 P CB 0.644 32.308 31.700 -0.060 0.000 0.807 15 G N 1.801 110.586 108.800 -0.025 0.000 2.245 15 G HA2 -0.323 3.637 3.960 -0.000 0.000 0.264 15 G HA3 -0.323 3.637 3.960 -0.000 0.000 0.264 15 G C 0.200 175.091 174.900 -0.015 0.000 0.985 15 G CA 0.222 45.312 45.100 -0.018 0.000 0.625 15 G HN 0.532 nan 8.290 nan 0.000 0.536 16 M N 1.655 121.237 119.600 -0.030 0.000 2.180 16 M HA 0.627 5.107 4.480 -0.000 0.000 0.358 16 M C -0.395 175.889 176.300 -0.028 0.000 1.233 16 M CA -0.647 54.633 55.300 -0.033 0.000 1.114 16 M CB 1.230 33.795 32.600 -0.058 0.000 1.594 16 M HN 0.153 nan 8.290 nan 0.000 0.467 17 D N 2.827 123.236 120.400 0.015 0.000 2.198 17 D HA 0.556 5.196 4.640 -0.000 0.000 0.247 17 D C 0.138 176.478 176.300 0.067 0.000 1.010 17 D CA -0.010 54.045 54.000 0.093 0.000 0.880 17 D CB 1.407 42.318 40.800 0.185 0.000 1.209 17 D HN 0.775 nan 8.370 nan 0.000 0.451 18 G N 2.355 111.180 108.800 0.042 0.000 3.014 18 G HA2 0.083 4.043 3.960 -0.000 0.000 0.239 18 G HA3 0.083 4.043 3.960 -0.000 0.000 0.239 18 G C -2.158 172.872 174.900 0.217 0.000 1.249 18 G CA -0.664 44.368 45.100 -0.114 0.000 0.867 18 G HN 0.463 nan 8.290 nan 0.000 0.607 19 P HA 0.313 nan 4.420 nan 0.000 0.279 19 P C -0.926 176.511 177.300 0.228 0.000 1.252 19 P CA -0.354 62.848 63.100 0.170 0.000 0.811 19 P CB 1.287 33.063 31.700 0.126 0.000 1.035 20 K N 0.996 121.472 120.400 0.125 0.000 3.207 20 K HA 0.315 4.635 4.320 -0.000 0.000 0.166 20 K C -0.746 175.863 176.600 0.016 0.000 1.079 20 K CA -0.422 55.903 56.287 0.063 0.000 0.818 20 K CB 1.043 33.556 32.500 0.022 0.000 0.967 20 K HN 0.170 nan 8.250 nan 0.000 0.594 21 V N 1.564 121.491 119.914 0.022 0.000 2.644 21 V HA 0.257 4.377 4.120 -0.000 0.000 0.295 21 V C 0.300 176.357 176.094 -0.061 0.000 1.053 21 V CA -0.757 61.532 62.300 -0.019 0.000 0.987 21 V CB 1.207 33.043 31.823 0.021 0.000 1.006 21 V HN 0.262 nan 8.190 nan 0.000 0.472 22 K N 2.547 122.865 120.400 -0.137 0.000 2.205 22 K HA 0.320 4.640 4.320 -0.000 0.000 0.279 22 K C -0.127 176.364 176.600 -0.182 0.000 1.027 22 K CA -0.684 55.510 56.287 -0.155 0.000 0.932 22 K CB 0.954 33.350 32.500 -0.174 0.000 1.032 22 K HN 0.672 nan 8.250 nan 0.000 0.466 23 Q N 3.060 122.802 119.800 -0.097 0.000 2.239 23 Q HA -0.069 4.271 4.340 -0.000 0.000 0.286 23 Q C -0.687 175.310 176.000 -0.004 0.000 1.102 23 Q CA 0.477 56.257 55.803 -0.037 0.000 0.936 23 Q CB 0.275 28.994 28.738 -0.032 0.000 1.127 23 Q HN 0.357 nan 8.270 nan 0.000 0.380 24 W N 6.078 127.325 121.300 -0.089 0.000 2.170 24 W HA 0.129 4.789 4.660 -0.000 0.000 0.342 24 W C -1.932 174.561 176.519 -0.043 0.000 1.294 24 W CA -1.399 55.943 57.345 -0.006 0.000 1.246 24 W CB 0.575 30.106 29.460 0.119 0.000 1.156 24 W HN 0.576 nan 8.180 nan 0.000 0.572 25 P HA 0.236 nan 4.420 nan 0.000 0.280 25 P C -0.672 176.666 177.300 0.064 0.000 1.244 25 P CA 0.206 63.359 63.100 0.088 0.000 0.784 25 P CB 1.233 32.964 31.700 0.052 0.000 0.913 26 L N 1.572 122.795 121.223 -0.001 0.000 2.298 26 L HA 0.514 4.854 4.340 -0.000 0.000 0.268 26 L C 1.194 178.017 176.870 -0.079 0.000 1.010 26 L CA -0.868 53.939 54.840 -0.055 0.000 0.812 26 L CB 1.062 43.070 42.059 -0.085 0.000 1.331 26 L HN 0.255 nan 8.230 nan 0.000 0.450 27 T N -0.650 113.836 114.554 -0.114 0.000 2.788 27 T HA 0.041 4.391 4.350 -0.000 0.000 0.287 27 T C 1.049 175.696 174.700 -0.089 0.000 1.007 27 T CA -0.351 61.694 62.100 -0.091 0.000 1.005 27 T CB 0.863 69.674 68.868 -0.094 0.000 1.012 27 T HN 0.783 nan 8.240 nan 0.000 0.530 28 E N 0.359 120.525 120.200 -0.057 0.000 2.371 28 E HA -0.057 4.293 4.350 -0.000 0.000 0.194 28 E C 1.734 178.295 176.600 -0.065 0.000 1.012 28 E CA 0.528 56.897 56.400 -0.053 0.000 0.860 28 E CB 0.049 29.734 29.700 -0.025 0.000 0.811 28 E HN 0.786 nan 8.360 nan 0.000 0.502 29 E N 1.726 121.891 120.200 -0.058 0.000 2.007 29 E HA -0.242 4.108 4.350 -0.000 0.000 0.194 29 E C 1.678 178.132 176.600 -0.243 0.000 0.999 29 E CA 1.322 57.702 56.400 -0.034 0.000 0.811 29 E CB 0.110 29.849 29.700 0.065 0.000 0.762 29 E HN 0.002 nan 8.360 nan 0.000 0.450 30 K N 0.508 120.682 120.400 -0.376 0.000 2.113 30 K HA -0.142 4.178 4.320 -0.000 0.000 0.208 30 K C 1.966 178.343 176.600 -0.370 0.000 1.047 30 K CA 1.355 57.298 56.287 -0.573 0.000 0.928 30 K CB -0.192 32.048 32.500 -0.433 0.000 0.716 30 K HN 0.300 nan 8.250 nan 0.000 0.446 31 I N 0.663 121.106 120.570 -0.211 0.000 2.110 31 I HA -0.263 3.907 4.170 -0.000 0.000 0.236 31 I C 1.811 177.858 176.117 -0.117 0.000 1.068 31 I CA 1.318 62.538 61.300 -0.133 0.000 1.333 31 I CB -0.925 37.031 38.000 -0.074 0.000 1.054 31 I HN 0.160 nan 8.210 nan 0.000 0.402 32 K N 1.219 121.567 120.400 -0.087 0.000 2.127 32 K HA -0.256 4.064 4.320 -0.000 0.000 0.212 32 K C 2.198 178.767 176.600 -0.052 0.000 1.050 32 K CA 1.978 58.241 56.287 -0.041 0.000 0.929 32 K CB -0.404 32.093 32.500 -0.006 0.000 0.715 32 K HN 0.407 nan 8.250 nan 0.000 0.457 33 A N 1.709 124.438 122.820 -0.151 0.000 1.829 33 A HA -0.200 4.120 4.320 -0.000 0.000 0.216 33 A C 2.208 179.729 177.584 -0.105 0.000 1.207 33 A CA 1.657 53.590 52.037 -0.174 0.000 0.622 33 A CB -1.001 17.567 19.000 -0.721 0.000 0.846 33 A HN 0.200 nan 8.150 nan 0.000 0.447 34 L N -0.181 120.941 121.223 -0.168 0.000 2.021 34 L HA -0.244 4.096 4.340 -0.000 0.000 0.215 34 L C 2.502 179.356 176.870 -0.028 0.000 1.074 34 L CA 1.634 56.418 54.840 -0.093 0.000 0.760 34 L CB -0.986 41.013 42.059 -0.100 0.000 0.889 34 L HN 0.305 nan 8.230 nan 0.000 0.433 35 V N -0.313 119.594 119.914 -0.011 0.000 2.439 35 V HA -0.308 3.812 4.120 -0.000 0.000 0.253 35 V C 2.320 178.434 176.094 0.033 0.000 1.074 35 V CA 2.041 64.362 62.300 0.035 0.000 1.076 35 V CB -0.703 31.135 31.823 0.025 0.000 0.664 35 V HN 0.509 nan 8.190 nan 0.000 0.461 36 E N 0.034 120.245 120.200 0.018 0.000 2.030 36 E HA -0.049 4.301 4.350 -0.000 0.000 0.189 36 E C 2.253 178.864 176.600 0.019 0.000 0.974 36 E CA 1.156 57.574 56.400 0.029 0.000 0.807 36 E CB -0.192 29.534 29.700 0.044 0.000 0.771 36 E HN 0.517 nan 8.360 nan 0.000 0.451 37 I N 1.443 122.023 120.570 0.016 0.000 2.113 37 I HA -0.422 3.748 4.170 -0.000 0.000 0.242 37 I C 2.600 178.696 176.117 -0.034 0.000 1.057 37 I CA 1.052 62.358 61.300 0.011 0.000 1.314 37 I CB -0.819 37.185 38.000 0.007 0.000 1.022 37 I HN 0.265 nan 8.210 nan 0.000 0.408 38 C N 0.685 119.933 119.300 -0.087 0.000 2.418 38 C HA -0.187 4.273 4.460 -0.000 0.000 0.280 38 C C 3.044 177.933 174.990 -0.168 0.000 1.223 38 C CA 1.825 60.705 59.018 -0.231 0.000 1.736 38 C CB -1.319 26.212 27.740 -0.349 0.000 2.056 38 C HN 0.544 nan 8.230 nan 0.000 0.459 39 T N 0.455 114.983 114.554 -0.043 0.000 2.718 39 T HA -0.288 4.062 4.350 -0.000 0.000 0.266 39 T C 1.516 176.216 174.700 0.000 0.000 1.033 39 T CA 2.219 64.330 62.100 0.018 0.000 1.151 39 T CB -0.412 68.482 68.868 0.044 0.000 0.853 39 T HN 0.611 nan 8.240 nan 0.000 0.466 40 E N 1.235 121.432 120.200 -0.004 0.000 2.001 40 E HA -0.091 4.259 4.350 -0.000 0.000 0.195 40 E C 2.247 178.850 176.600 0.005 0.000 1.002 40 E CA 1.390 57.799 56.400 0.015 0.000 0.819 40 E CB -0.441 29.279 29.700 0.033 0.000 0.769 40 E HN 0.501 nan 8.360 nan 0.000 0.454 41 M N 0.047 119.633 119.600 -0.022 0.000 2.108 41 M HA -0.254 4.226 4.480 -0.000 0.000 0.257 41 M C 2.400 178.664 176.300 -0.061 0.000 1.071 41 M CA 2.217 57.490 55.300 -0.045 0.000 1.093 41 M CB -0.730 31.796 32.600 -0.123 0.000 1.345 41 M HN 0.220 nan 8.290 nan 0.000 0.403 42 E N 1.119 121.272 120.200 -0.077 0.000 2.077 42 E HA -0.180 4.170 4.350 -0.000 0.000 0.193 42 E C 1.896 178.506 176.600 0.016 0.000 0.989 42 E CA 1.365 57.754 56.400 -0.018 0.000 0.800 42 E CB 0.112 29.838 29.700 0.043 0.000 0.746 42 E HN 0.465 nan 8.360 nan 0.000 0.452 43 K N 0.320 120.732 120.400 0.020 0.000 2.026 43 K HA -0.151 4.169 4.320 -0.000 0.000 0.208 43 K C 2.023 178.642 176.600 0.032 0.000 1.048 43 K CA 1.513 57.818 56.287 0.030 0.000 0.929 43 K CB -0.125 32.394 32.500 0.032 0.000 0.713 43 K HN 0.148 nan 8.250 nan 0.000 0.439 44 E N -0.159 120.061 120.200 0.032 0.000 2.510 44 E HA -0.089 4.261 4.350 -0.000 0.000 0.202 44 E C 0.920 177.541 176.600 0.035 0.000 1.072 44 E CA 0.488 56.913 56.400 0.043 0.000 0.883 44 E CB -0.159 29.577 29.700 0.060 0.000 0.818 44 E HN 0.540 nan 8.360 nan 0.000 0.548 45 G N 0.967 109.781 108.800 0.024 0.000 2.196 45 G HA2 -0.447 3.513 3.960 -0.000 0.000 0.268 45 G HA3 -0.447 3.513 3.960 -0.000 0.000 0.268 45 G C 0.937 175.843 174.900 0.010 0.000 0.975 45 G CA 0.962 46.077 45.100 0.025 0.000 0.648 45 G HN 0.322 nan 8.290 nan 0.000 0.538 46 K N -0.205 120.185 120.400 -0.017 0.000 2.034 46 K HA -0.024 4.296 4.320 -0.000 0.000 0.214 46 K C 1.492 178.056 176.600 -0.060 0.000 1.051 46 K CA 1.833 58.074 56.287 -0.075 0.000 0.931 46 K CB -0.148 32.253 32.500 -0.165 0.000 0.715 46 K HN 0.918 nan 8.250 nan 0.000 0.446 47 I N -3.672 116.846 120.570 -0.087 0.000 2.827 47 I HA 0.334 4.504 4.170 -0.000 0.000 0.298 47 I C -0.935 175.175 176.117 -0.011 0.000 1.235 47 I CA -0.824 60.420 61.300 -0.092 0.000 1.021 47 I CB 2.592 40.411 38.000 -0.301 0.000 1.259 47 I HN -0.222 nan 8.210 nan 0.000 0.427 48 S N 2.777 118.509 115.700 0.054 0.000 2.759 48 S HA 0.575 5.045 4.470 -0.000 0.000 0.310 48 S C -0.618 174.065 174.600 0.138 0.000 1.123 48 S CA -0.994 57.274 58.200 0.113 0.000 0.959 48 S CB 1.729 64.956 63.200 0.044 0.000 1.172 48 S HN 0.559 nan 8.310 nan 0.000 0.539 49 K N 1.158 121.568 120.400 0.018 0.000 2.130 49 K HA 0.555 4.874 4.320 -0.000 0.000 0.268 49 K C -0.190 176.319 176.600 -0.152 0.000 0.983 49 K CA -0.333 55.844 56.287 -0.183 0.000 0.893 49 K CB 0.738 33.089 32.500 -0.248 0.000 1.066 49 K HN 0.495 nan 8.250 nan 0.000 0.450 50 I N -1.881 118.567 120.570 -0.203 0.000 3.861 50 I HA 0.686 4.856 4.170 -0.000 0.000 0.262 50 I C 0.538 176.563 176.117 -0.153 0.000 1.269 50 I CA -1.097 60.110 61.300 -0.156 0.000 1.140 50 I CB 1.174 39.079 38.000 -0.159 0.000 1.424 50 I HN 0.602 nan 8.210 nan 0.000 0.527 51 G N -0.423 108.299 108.800 -0.131 0.000 3.135 51 G HA2 0.542 4.502 3.960 -0.000 0.000 0.278 51 G HA3 0.542 4.502 3.960 -0.000 0.000 0.278 51 G C -2.475 172.352 174.900 -0.120 0.000 1.302 51 G CA -0.765 44.263 45.100 -0.120 0.000 0.880 51 G HN 0.459 nan 8.290 nan 0.000 0.574 52 P HA 0.031 nan 4.420 nan 0.000 0.241 52 P C 1.099 178.330 177.300 -0.115 0.000 1.191 52 P CA 0.699 63.733 63.100 -0.111 0.000 0.771 52 P CB 0.359 32.002 31.700 -0.096 0.000 0.929 53 E N -0.429 119.709 120.200 -0.103 0.000 2.418 53 E HA -0.086 4.264 4.350 -0.000 0.000 0.197 53 E C 0.392 176.919 176.600 -0.121 0.000 1.026 53 E CA 0.420 56.760 56.400 -0.100 0.000 0.862 53 E CB -0.693 28.961 29.700 -0.077 0.000 0.799 53 E HN 0.137 nan 8.360 nan 0.000 0.518 54 N N 2.013 120.636 118.700 -0.128 0.000 2.457 54 N HA 0.119 4.859 4.740 -0.000 0.000 0.250 54 N C -1.941 173.451 175.510 -0.197 0.000 0.982 54 N CA -1.897 51.077 53.050 -0.128 0.000 0.941 54 N CB 1.769 40.202 38.487 -0.091 0.000 1.120 54 N HN -0.090 nan 8.380 nan 0.000 0.505 55 P HA 0.098 nan 4.420 nan 0.000 0.264 55 P C -0.291 176.783 177.300 -0.375 0.000 1.259 55 P CA 0.048 62.920 63.100 -0.379 0.000 0.841 55 P CB 0.369 31.787 31.700 -0.469 0.000 1.232 56 Y N 1.728 121.970 120.300 -0.096 0.000 2.357 56 Y HA 0.331 4.881 4.550 -0.000 0.000 0.340 56 Y C 1.078 176.940 175.900 -0.063 0.000 1.260 56 Y CA 0.476 58.539 58.100 -0.061 0.000 1.425 56 Y CB 0.133 38.544 38.460 -0.081 0.000 1.326 56 Y HN -0.024 nan 8.280 nan 0.000 0.580 57 N N -0.596 118.192 118.700 0.147 0.000 3.270 57 N HA 0.245 4.985 4.740 -0.000 0.000 0.227 57 N C -2.089 173.465 175.510 0.073 0.000 1.071 57 N CA -0.364 52.723 53.050 0.063 0.000 1.073 57 N CB 0.780 39.262 38.487 -0.008 0.000 1.633 57 N HN 0.551 nan 8.380 nan 0.000 0.664 58 T N 2.845 117.449 114.554 0.082 0.000 2.856 58 T HA 0.553 4.903 4.350 -0.000 0.000 0.283 58 T C -2.724 171.986 174.700 0.016 0.000 1.008 58 T CA -1.303 60.834 62.100 0.062 0.000 0.997 58 T CB 1.749 70.664 68.868 0.078 0.000 0.992 58 T HN 0.271 nan 8.240 nan 0.000 0.454 59 P HA 0.257 nan 4.420 nan 0.000 0.268 59 P C -0.868 176.293 177.300 -0.233 0.000 1.208 59 P CA -0.427 62.626 63.100 -0.079 0.000 0.777 59 P CB 0.399 32.139 31.700 0.067 0.000 0.875 60 V N 0.222 119.912 119.914 -0.373 0.000 2.711 60 V HA 0.633 4.753 4.120 -0.000 0.000 0.304 60 V C -1.163 174.643 176.094 -0.479 0.000 1.097 60 V CA -0.718 61.372 62.300 -0.349 0.000 0.906 60 V CB 0.862 32.589 31.823 -0.160 0.000 1.015 60 V HN 0.270 nan 8.190 nan 0.000 0.427 61 F N 3.013 122.916 119.950 -0.078 0.000 2.629 61 F HA 1.019 5.546 4.527 -0.000 0.000 0.386 61 F C 0.668 176.347 175.800 -0.203 0.000 1.135 61 F CA -0.482 57.415 58.000 -0.171 0.000 1.116 61 F CB 1.519 40.362 39.000 -0.261 0.000 1.426 61 F HN 0.924 nan 8.300 nan 0.000 0.501 62 A N 1.205 123.994 122.820 -0.052 0.000 2.437 62 A HA 0.743 5.063 4.320 -0.000 0.000 0.293 62 A C -1.101 176.407 177.584 -0.128 0.000 1.038 62 A CA -0.493 51.432 52.037 -0.187 0.000 0.708 62 A CB 1.166 19.859 19.000 -0.511 0.000 1.251 62 A HN 0.684 nan 8.150 nan 0.000 0.409 63 I N -1.550 119.115 120.570 0.159 0.000 3.567 63 I HA 0.735 4.904 4.170 -0.000 0.000 0.302 63 I C -1.109 175.309 176.117 0.501 0.000 1.158 63 I CA -1.260 60.254 61.300 0.356 0.000 1.027 63 I CB 1.494 39.564 38.000 0.117 0.000 1.363 63 I HN 0.545 nan 8.210 nan 0.000 0.480 64 K N 0.941 121.450 120.400 0.182 0.000 2.502 64 K HA 0.363 4.683 4.320 -0.000 0.000 0.254 64 K C 0.453 177.017 176.600 -0.059 0.000 0.947 64 K CA -0.541 55.723 56.287 -0.037 0.000 0.834 64 K CB 2.340 34.654 32.500 -0.309 0.000 1.112 64 K HN 0.546 nan 8.250 nan 0.000 0.427 65 K N 2.070 122.442 120.400 -0.046 0.000 2.021 65 K HA -0.045 4.275 4.320 -0.000 0.000 0.205 65 K C 1.555 178.105 176.600 -0.083 0.000 1.047 65 K CA 0.626 56.872 56.287 -0.069 0.000 0.943 65 K CB 0.084 32.549 32.500 -0.058 0.000 0.725 65 K HN 0.202 nan 8.250 nan 0.000 0.439 66 K N 0.911 121.262 120.400 -0.081 0.000 1.992 66 K HA -0.219 4.101 4.320 -0.000 0.000 0.225 66 K C 1.547 178.089 176.600 -0.098 0.000 1.020 66 K CA 2.490 58.729 56.287 -0.080 0.000 1.042 66 K CB -0.098 32.356 32.500 -0.076 0.000 0.772 66 K HN 0.346 nan 8.250 nan 0.000 0.444 67 D N -3.613 116.715 120.400 -0.119 0.000 2.259 67 D HA 0.116 4.756 4.640 -0.000 0.000 0.301 67 D C 0.171 176.361 176.300 -0.183 0.000 1.149 67 D CA 0.002 53.926 54.000 -0.128 0.000 1.012 67 D CB 0.737 41.479 40.800 -0.097 0.000 1.797 67 D HN 0.174 nan 8.370 nan 0.000 0.513 68 S N -1.295 114.282 115.700 -0.204 0.000 2.725 68 S HA 0.027 4.497 4.470 -0.000 0.000 0.196 68 S C 0.712 175.163 174.600 -0.248 0.000 0.803 68 S CA 0.334 58.358 58.200 -0.293 0.000 1.452 68 S CB -0.552 62.498 63.200 -0.250 0.000 1.273 68 S HN 0.318 nan 8.310 nan 0.000 0.575 69 T N 2.070 116.520 114.554 -0.174 0.000 2.565 69 T HA -0.085 4.265 4.350 -0.000 0.000 0.265 69 T C 0.278 174.890 174.700 -0.146 0.000 1.082 69 T CA 1.873 63.899 62.100 -0.122 0.000 1.173 69 T CB -0.013 68.805 68.868 -0.083 0.000 0.864 69 T HN 0.451 nan 8.240 nan 0.000 0.425 70 K N -1.600 118.695 120.400 -0.175 0.000 2.636 70 K HA 0.215 4.535 4.320 -0.000 0.000 0.268 70 K C -1.463 175.080 176.600 -0.094 0.000 0.958 70 K CA -0.726 55.460 56.287 -0.168 0.000 0.875 70 K CB 0.740 33.215 32.500 -0.041 0.000 1.382 70 K HN 0.298 nan 8.250 nan 0.000 0.405 71 W N 2.316 123.598 121.300 -0.030 0.000 2.517 71 W HA -0.053 4.607 4.660 -0.000 0.000 0.345 71 W C 0.833 177.336 176.519 -0.028 0.000 1.222 71 W CA 0.283 57.607 57.345 -0.034 0.000 1.409 71 W CB 0.295 29.737 29.460 -0.029 0.000 1.223 71 W HN 0.256 nan 8.180 nan 0.000 0.610 72 R N 1.694 122.406 120.500 0.353 0.000 2.535 72 R HA 0.204 4.544 4.340 -0.000 0.000 0.274 72 R C -1.076 175.289 176.300 0.109 0.000 1.090 72 R CA -1.026 55.173 56.100 0.165 0.000 0.930 72 R CB 1.458 31.822 30.300 0.106 0.000 1.223 72 R HN 0.483 nan 8.270 nan 0.000 0.441 73 K N 3.604 124.039 120.400 0.059 0.000 2.270 73 K HA 0.222 4.541 4.320 -0.000 0.000 0.276 73 K C -1.089 175.539 176.600 0.047 0.000 1.023 73 K CA -0.254 56.039 56.287 0.010 0.000 0.955 73 K CB 0.809 33.280 32.500 -0.048 0.000 0.975 73 K HN 0.457 nan 8.250 nan 0.000 0.471 74 L N 5.465 126.724 121.223 0.060 0.000 2.490 74 L HA 0.310 4.650 4.340 -0.000 0.000 0.256 74 L C -1.516 175.443 176.870 0.148 0.000 1.089 74 L CA -0.721 54.199 54.840 0.133 0.000 0.916 74 L CB 1.380 43.552 42.059 0.188 0.000 1.188 74 L HN 0.492 nan 8.230 nan 0.000 0.476 75 V N 2.651 122.576 119.914 0.019 0.000 2.493 75 V HA -0.030 4.090 4.120 -0.000 0.000 0.292 75 V C 0.813 176.894 176.094 -0.020 0.000 1.016 75 V CA 0.270 62.470 62.300 -0.167 0.000 1.097 75 V CB 0.802 32.316 31.823 -0.515 0.000 0.947 75 V HN 0.740 nan 8.190 nan 0.000 0.479 76 D N 4.560 125.001 120.400 0.068 0.000 2.982 76 D HA 0.035 4.675 4.640 -0.000 0.000 0.238 76 D C 0.758 177.180 176.300 0.204 0.000 1.168 76 D CA -0.176 53.978 54.000 0.257 0.000 0.947 76 D CB -0.548 40.536 40.800 0.472 0.000 1.147 76 D HN 0.456 nan 8.370 nan 0.000 0.450 77 F N 0.343 120.428 119.950 0.225 0.000 2.678 77 F HA 0.009 4.536 4.527 -0.000 0.000 0.298 77 F C 2.056 177.975 175.800 0.198 0.000 1.337 77 F CA 0.308 58.440 58.000 0.220 0.000 1.460 77 F CB -0.420 38.751 39.000 0.286 0.000 1.106 77 F HN 0.185 nan 8.300 nan 0.000 0.562 78 R N -0.175 120.507 120.500 0.303 0.000 2.159 78 R HA -0.202 4.138 4.340 -0.000 0.000 0.237 78 R C 2.098 178.502 176.300 0.173 0.000 1.131 78 R CA 1.313 57.528 56.100 0.191 0.000 0.982 78 R CB -0.018 30.320 30.300 0.063 0.000 0.868 78 R HN 0.269 nan 8.270 nan 0.000 0.453 79 E N 0.441 120.758 120.200 0.196 0.000 2.022 79 E HA -0.116 4.234 4.350 -0.000 0.000 0.190 79 E C 1.625 178.324 176.600 0.165 0.000 0.973 79 E CA 0.554 57.044 56.400 0.151 0.000 0.816 79 E CB -0.339 29.441 29.700 0.133 0.000 0.781 79 E HN 0.089 nan 8.360 nan 0.000 0.456 80 L N 1.423 122.773 121.223 0.213 0.000 2.211 80 L HA -0.241 4.098 4.340 -0.000 0.000 0.216 80 L C 1.325 178.297 176.870 0.171 0.000 1.092 80 L CA 1.852 56.773 54.840 0.135 0.000 0.767 80 L CB -0.925 41.223 42.059 0.148 0.000 0.894 80 L HN 0.131 nan 8.230 nan 0.000 0.437 81 N N 0.560 119.426 118.700 0.275 0.000 2.051 81 N HA -0.168 4.572 4.740 -0.000 0.000 0.192 81 N C 1.668 177.298 175.510 0.200 0.000 1.049 81 N CA 1.969 55.199 53.050 0.300 0.000 0.845 81 N CB -0.380 38.276 38.487 0.281 0.000 1.031 81 N HN 0.456 nan 8.380 nan 0.000 0.425 82 K N 0.625 121.110 120.400 0.143 0.000 2.173 82 K HA -0.123 4.197 4.320 -0.000 0.000 0.207 82 K C 1.488 178.141 176.600 0.088 0.000 1.046 82 K CA 1.215 57.561 56.287 0.099 0.000 0.929 82 K CB -0.175 32.363 32.500 0.064 0.000 0.720 82 K HN 0.185 nan 8.250 nan 0.000 0.453 83 R N -0.036 120.508 120.500 0.073 0.000 2.356 83 R HA 0.092 4.432 4.340 -0.000 0.000 0.234 83 R C 0.725 177.040 176.300 0.025 0.000 0.929 83 R CA 0.341 56.455 56.100 0.024 0.000 1.084 83 R CB 0.526 30.809 30.300 -0.028 0.000 1.105 83 R HN 0.115 nan 8.270 nan 0.000 0.515 84 T N -1.627 112.991 114.554 0.107 0.000 3.414 84 T HA -0.095 4.254 4.350 -0.000 0.000 0.143 84 T C 1.032 175.893 174.700 0.269 0.000 0.856 84 T CA -0.465 61.698 62.100 0.105 0.000 0.849 84 T CB -0.347 68.579 68.868 0.097 0.000 1.227 84 T HN -0.006 nan 8.240 nan 0.000 0.278 85 Q N 1.475 121.498 119.800 0.373 0.000 2.344 85 Q HA -0.270 4.070 4.340 -0.000 0.000 0.212 85 Q C 1.190 177.357 176.000 0.278 0.000 0.991 85 Q CA 1.746 57.767 55.803 0.364 0.000 0.897 85 Q CB -0.453 28.438 28.738 0.255 0.000 0.915 85 Q HN 0.464 nan 8.270 nan 0.000 0.438 86 D N -0.822 119.727 120.400 0.248 0.000 2.123 86 D HA -0.100 4.540 4.640 -0.000 0.000 0.200 86 D C 1.268 177.748 176.300 0.301 0.000 0.976 86 D CA 0.675 54.800 54.000 0.208 0.000 0.831 86 D CB -0.140 40.754 40.800 0.158 0.000 0.974 86 D HN 0.273 nan 8.370 nan 0.000 0.469 87 F N -0.841 119.210 119.950 0.169 0.000 2.743 87 F HA 0.069 4.596 4.527 -0.000 0.000 0.297 87 F C 0.441 176.449 175.800 0.348 0.000 1.131 87 F CA -0.006 58.111 58.000 0.195 0.000 1.426 87 F CB 0.009 39.108 39.000 0.165 0.000 1.116 87 F HN -0.093 nan 8.300 nan 0.000 0.583 88 W N 1.067 122.378 121.300 0.019 0.000 2.164 88 W HA 0.321 4.981 4.660 -0.000 0.000 0.370 88 W C 1.229 177.726 176.519 -0.037 0.000 0.747 88 W CA -0.535 56.770 57.345 -0.067 0.000 2.688 88 W CB -0.361 29.104 29.460 0.008 0.000 1.826 88 W HN 0.102 nan 8.180 nan 0.000 0.721 89 E N -1.044 119.209 120.200 0.088 0.000 2.541 89 E HA 0.074 4.424 4.350 -0.000 0.000 0.219 89 E C 0.897 177.479 176.600 -0.029 0.000 0.922 89 E CA 0.468 56.894 56.400 0.043 0.000 1.095 89 E CB 0.850 30.601 29.700 0.085 0.000 1.112 89 E HN 0.054 nan 8.360 nan 0.000 0.516 90 V N -0.213 119.647 119.914 -0.090 0.000 3.442 90 V HA -0.035 4.085 4.120 -0.000 0.000 0.205 90 V C 1.903 177.837 176.094 -0.266 0.000 1.320 90 V CA 0.012 62.231 62.300 -0.135 0.000 1.306 90 V CB -0.183 31.595 31.823 -0.075 0.000 1.267 90 V HN 0.063 nan 8.190 nan 0.000 0.538 91 Q N 0.797 120.347 119.800 -0.417 0.000 2.124 91 Q HA -0.230 4.110 4.340 -0.000 0.000 0.215 91 Q C 1.368 177.041 176.000 -0.545 0.000 1.015 91 Q CA 2.245 57.717 55.803 -0.551 0.000 0.890 91 Q CB -0.168 28.080 28.738 -0.817 0.000 0.966 91 Q HN 0.620 nan 8.270 nan 0.000 0.412 92 L N -0.424 120.415 121.223 -0.640 0.000 3.289 92 L HA 0.353 4.693 4.340 -0.000 0.000 0.291 92 L C 0.529 177.219 176.870 -0.300 0.000 1.279 92 L CA -0.302 54.233 54.840 -0.509 0.000 1.025 92 L CB 0.766 42.385 42.059 -0.734 0.000 1.413 92 L HN 0.016 nan 8.230 nan 0.000 0.593 93 G N 1.355 110.020 108.800 -0.225 0.000 2.248 93 G HA2 0.242 4.202 3.960 -0.000 0.000 0.260 93 G HA3 0.242 4.202 3.960 -0.000 0.000 0.260 93 G C 0.026 174.875 174.900 -0.085 0.000 1.214 93 G CA -0.124 44.903 45.100 -0.122 0.000 0.979 93 G HN 0.197 nan 8.290 nan 0.000 0.454 94 I N 5.204 125.749 120.570 -0.043 0.000 2.452 94 I HA 0.140 4.310 4.170 -0.000 0.000 0.287 94 I C -1.075 175.025 176.117 -0.029 0.000 1.079 94 I CA -1.396 59.900 61.300 -0.008 0.000 1.387 94 I CB 0.950 39.002 38.000 0.086 0.000 1.404 94 I HN 0.407 nan 8.210 nan 0.000 0.522 95 P HA 0.096 nan 4.420 nan 0.000 0.274 95 P C -1.182 175.962 177.300 -0.260 0.000 1.246 95 P CA -0.167 62.866 63.100 -0.111 0.000 0.795 95 P CB 0.706 32.344 31.700 -0.103 0.000 1.006 96 H N 1.375 120.233 119.070 -0.352 0.000 2.708 96 H HA 0.353 4.909 4.556 -0.000 0.000 0.320 96 H C -2.083 173.055 175.328 -0.317 0.000 0.991 96 H CA -1.857 53.856 56.048 -0.558 0.000 1.243 96 H CB 0.704 30.304 29.762 -0.269 0.000 1.446 96 H HN 0.199 nan 8.280 nan 0.000 0.502 97 P HA 0.082 nan 4.420 nan 0.000 0.264 97 P C 0.064 177.015 177.300 -0.582 0.000 1.236 97 P CA -0.166 62.641 63.100 -0.487 0.000 0.811 97 P CB 0.853 32.352 31.700 -0.335 0.000 0.840 98 A N 3.154 125.781 122.820 -0.323 0.000 2.223 98 A HA 0.277 4.597 4.320 -0.000 0.000 0.222 98 A C 1.659 179.175 177.584 -0.115 0.000 1.317 98 A CA 0.732 52.665 52.037 -0.174 0.000 0.985 98 A CB -0.761 18.234 19.000 -0.008 0.000 0.858 98 A HN 0.626 nan 8.150 nan 0.000 0.496 99 G N -1.419 107.299 108.800 -0.136 0.000 2.815 99 G HA2 0.197 4.157 3.960 -0.000 0.000 0.215 99 G HA3 0.197 4.157 3.960 -0.000 0.000 0.215 99 G C 1.088 175.948 174.900 -0.066 0.000 1.054 99 G CA 0.575 45.629 45.100 -0.076 0.000 0.832 99 G HN 0.389 nan 8.290 nan 0.000 0.557 100 L N 2.364 123.536 121.223 -0.085 0.000 2.089 100 L HA -0.071 4.269 4.340 -0.000 0.000 0.213 100 L C 2.524 179.387 176.870 -0.013 0.000 1.079 100 L CA 2.453 57.280 54.840 -0.020 0.000 0.758 100 L CB -0.530 41.536 42.059 0.011 0.000 0.891 100 L HN 0.408 nan 8.230 nan 0.000 0.433 101 K N -1.096 119.283 120.400 -0.036 0.000 2.574 101 K HA -0.137 4.182 4.320 -0.000 0.000 0.193 101 K C 1.447 177.969 176.600 -0.131 0.000 1.035 101 K CA 1.208 57.456 56.287 -0.066 0.000 0.982 101 K CB -0.230 32.247 32.500 -0.039 0.000 0.795 101 K HN 0.382 nan 8.250 nan 0.000 0.491 102 K N 0.332 120.681 120.400 -0.086 0.000 2.399 102 K HA 0.126 4.446 4.320 -0.000 0.000 0.196 102 K C -0.044 176.521 176.600 -0.059 0.000 1.103 102 K CA -0.354 55.886 56.287 -0.078 0.000 0.986 102 K CB 0.509 32.982 32.500 -0.045 0.000 0.952 102 K HN -0.060 nan 8.250 nan 0.000 0.541 103 K N 1.667 122.048 120.400 -0.031 0.000 2.455 103 K HA -0.095 4.225 4.320 -0.000 0.000 0.269 103 K C 0.991 177.589 176.600 -0.003 0.000 0.972 103 K CA 0.371 56.664 56.287 0.009 0.000 0.938 103 K CB 0.423 32.959 32.500 0.060 0.000 0.931 103 K HN -0.175 nan 8.250 nan 0.000 0.507 104 K N 0.310 120.733 120.400 0.040 0.000 2.152 104 K HA -0.084 4.236 4.320 -0.000 0.000 0.206 104 K C 0.562 177.209 176.600 0.079 0.000 1.048 104 K CA 1.088 57.407 56.287 0.053 0.000 0.933 104 K CB 0.136 32.680 32.500 0.072 0.000 0.721 104 K HN 0.489 nan 8.250 nan 0.000 0.447 105 S N -1.701 114.017 115.700 0.029 0.000 2.547 105 S HA 0.542 5.012 4.470 -0.000 0.000 0.270 105 S C -1.967 172.636 174.600 0.005 0.000 1.150 105 S CA -0.913 57.206 58.200 -0.137 0.000 0.850 105 S CB 1.528 64.517 63.200 -0.351 0.000 1.118 105 S HN -0.210 nan 8.310 nan 0.000 0.461 106 V N 3.568 123.450 119.914 -0.053 0.000 2.409 106 V HA 0.476 4.596 4.120 -0.000 0.000 0.290 106 V C 0.051 176.229 176.094 0.141 0.000 1.017 106 V CA -0.441 61.944 62.300 0.142 0.000 0.841 106 V CB 1.530 33.451 31.823 0.164 0.000 1.003 106 V HN 0.955 nan 8.190 nan 0.000 0.426 107 T N 4.196 118.896 114.554 0.244 0.000 2.918 107 T HA 0.629 4.979 4.350 -0.000 0.000 0.283 107 T C -0.317 174.427 174.700 0.073 0.000 1.001 107 T CA -0.362 61.852 62.100 0.191 0.000 1.041 107 T CB 1.724 70.772 68.868 0.302 0.000 1.028 107 T HN 0.379 nan 8.240 nan 0.000 0.511 108 V N 3.832 123.747 119.914 0.001 0.000 2.447 108 V HA 0.512 4.632 4.120 -0.000 0.000 0.292 108 V C -0.450 175.525 176.094 -0.199 0.000 1.021 108 V CA -0.933 61.201 62.300 -0.276 0.000 0.850 108 V CB 0.775 32.280 31.823 -0.530 0.000 1.005 108 V HN 0.754 nan 8.190 nan 0.000 0.426 109 L N 1.624 122.736 121.223 -0.185 0.000 2.354 109 L HA 0.984 5.324 4.340 -0.000 0.000 0.269 109 L C -0.400 176.399 176.870 -0.119 0.000 1.005 109 L CA -0.615 54.158 54.840 -0.113 0.000 0.819 109 L CB 2.086 44.114 42.059 -0.052 0.000 1.311 109 L HN 0.588 nan 8.230 nan 0.000 0.423 110 D N 1.864 122.208 120.400 -0.094 0.000 2.466 110 D HA 0.457 5.097 4.640 -0.000 0.000 0.262 110 D C 0.416 176.702 176.300 -0.023 0.000 1.177 110 D CA 0.012 53.976 54.000 -0.060 0.000 1.035 110 D CB 1.991 42.744 40.800 -0.079 0.000 1.105 110 D HN 0.664 nan 8.370 nan 0.000 0.551 111 V N -3.987 115.940 119.914 0.021 0.000 3.623 111 V HA 0.385 4.505 4.120 -0.000 0.000 0.283 111 V C 1.673 177.801 176.094 0.056 0.000 1.643 111 V CA 0.517 62.823 62.300 0.009 0.000 1.121 111 V CB -0.194 31.634 31.823 0.009 0.000 0.933 111 V HN 0.627 nan 8.190 nan 0.000 0.420 112 G N 0.813 109.688 108.800 0.126 0.000 2.717 112 G HA2 -0.387 3.573 3.960 -0.000 0.000 0.224 112 G HA3 -0.387 3.573 3.960 -0.000 0.000 0.224 112 G C 1.131 176.020 174.900 -0.019 0.000 1.088 112 G CA 1.619 46.793 45.100 0.124 0.000 0.734 112 G HN 0.587 nan 8.290 nan 0.000 0.616 113 D N 0.615 120.913 120.400 -0.169 0.000 2.178 113 D HA -0.046 4.594 4.640 -0.000 0.000 0.201 113 D C 2.764 178.947 176.300 -0.195 0.000 0.980 113 D CA 1.041 54.864 54.000 -0.295 0.000 0.842 113 D CB -0.122 40.569 40.800 -0.181 0.000 0.948 113 D HN 0.315 nan 8.370 nan 0.000 0.472 114 A N 0.379 123.050 122.820 -0.249 0.000 1.851 114 A HA -0.236 4.084 4.320 -0.000 0.000 0.216 114 A C 1.981 179.214 177.584 -0.585 0.000 1.195 114 A CA 1.620 53.366 52.037 -0.485 0.000 0.622 114 A CB -1.435 17.041 19.000 -0.875 0.000 0.831 114 A HN 0.319 nan 8.150 nan 0.000 0.444 115 Y N -1.010 118.896 120.300 -0.656 0.000 2.108 115 Y HA -0.293 4.257 4.550 -0.000 0.000 0.274 115 Y C 1.729 177.681 175.900 0.086 0.000 1.229 115 Y CA 1.400 59.294 58.100 -0.344 0.000 1.129 115 Y CB -1.202 37.186 38.460 -0.120 0.000 0.946 115 Y HN 0.292 nan 8.280 nan 0.000 0.509 116 F N 0.792 120.786 119.950 0.072 0.000 2.577 116 F HA -0.148 4.378 4.527 -0.000 0.000 0.296 116 F C 1.667 177.519 175.800 0.087 0.000 1.387 116 F CA 0.675 58.735 58.000 0.101 0.000 1.476 116 F CB -1.295 37.762 39.000 0.095 0.000 1.121 116 F HN 0.204 nan 8.300 nan 0.000 0.589 117 S N -3.409 112.426 115.700 0.226 0.000 2.882 117 S HA 0.153 4.623 4.470 -0.000 0.000 0.258 117 S C 0.265 174.969 174.600 0.174 0.000 1.081 117 S CA -0.225 58.083 58.200 0.180 0.000 0.886 117 S CB -0.092 63.209 63.200 0.169 0.000 0.855 117 S HN -0.143 nan 8.310 nan 0.000 0.467 118 V N 4.831 124.865 119.914 0.200 0.000 2.421 118 V HA 0.322 4.442 4.120 -0.000 0.000 0.271 118 V C -2.550 173.661 176.094 0.195 0.000 1.031 118 V CA -1.436 60.990 62.300 0.210 0.000 1.032 118 V CB -0.125 31.861 31.823 0.271 0.000 1.009 118 V HN 0.228 nan 8.190 nan 0.000 0.477 119 P HA 0.079 nan 4.420 nan 0.000 0.266 119 P C -0.424 176.987 177.300 0.184 0.000 1.195 119 P CA -0.168 63.024 63.100 0.154 0.000 0.768 119 P CB 0.534 32.309 31.700 0.125 0.000 0.838 120 L N 3.042 124.381 121.223 0.194 0.000 2.334 120 L HA 0.311 4.651 4.340 -0.000 0.000 0.277 120 L C 0.110 177.094 176.870 0.190 0.000 1.075 120 L CA -0.578 54.400 54.840 0.230 0.000 0.804 120 L CB 0.712 42.931 42.059 0.266 0.000 1.174 120 L HN 0.245 nan 8.230 nan 0.000 0.438 121 D N 2.647 123.162 120.400 0.192 0.000 2.455 121 D HA -0.101 4.539 4.640 -0.000 0.000 0.265 121 D C 1.189 177.580 176.300 0.152 0.000 1.284 121 D CA 0.449 54.542 54.000 0.157 0.000 0.944 121 D CB 0.711 41.593 40.800 0.137 0.000 1.121 121 D HN 0.641 nan 8.370 nan 0.000 0.525 122 E N 3.094 123.362 120.200 0.113 0.000 2.245 122 E HA -0.307 4.043 4.350 -0.000 0.000 0.217 122 E C 0.863 177.504 176.600 0.068 0.000 1.069 122 E CA 2.151 58.599 56.400 0.081 0.000 0.877 122 E CB 0.031 29.769 29.700 0.063 0.000 0.757 122 E HN 0.641 nan 8.360 nan 0.000 0.464 123 D N -1.342 119.113 120.400 0.092 0.000 2.183 123 D HA -0.120 4.520 4.640 -0.000 0.000 0.203 123 D C 1.680 178.047 176.300 0.112 0.000 0.969 123 D CA 0.693 54.743 54.000 0.083 0.000 0.842 123 D CB -0.362 40.499 40.800 0.103 0.000 0.957 123 D HN 0.267 nan 8.370 nan 0.000 0.484 124 F N 2.385 122.330 119.950 -0.009 0.000 2.456 124 F HA 0.029 4.556 4.527 -0.000 0.000 0.298 124 F C 2.081 177.852 175.800 -0.049 0.000 1.104 124 F CA 0.411 58.416 58.000 0.007 0.000 1.435 124 F CB 0.094 39.026 39.000 -0.112 0.000 1.078 124 F HN -0.242 nan 8.300 nan 0.000 0.546 125 R N 1.214 121.703 120.500 -0.019 0.000 2.223 125 R HA -0.328 4.011 4.340 -0.000 0.000 0.229 125 R C 2.242 178.378 176.300 -0.274 0.000 1.105 125 R CA 2.706 58.755 56.100 -0.085 0.000 0.880 125 R CB -1.205 29.095 30.300 -0.001 0.000 0.853 125 R HN 0.336 nan 8.270 nan 0.000 0.429 126 K N -0.182 120.028 120.400 -0.316 0.000 2.303 126 K HA -0.294 4.026 4.320 -0.000 0.000 0.208 126 K C 1.794 178.083 176.600 -0.518 0.000 1.035 126 K CA 2.646 58.692 56.287 -0.402 0.000 0.934 126 K CB -0.836 31.381 32.500 -0.471 0.000 0.759 126 K HN 0.364 nan 8.250 nan 0.000 0.490 127 Y N 1.866 121.813 120.300 -0.588 0.000 2.457 127 Y HA -0.032 4.518 4.550 -0.000 0.000 0.292 127 Y C 2.615 178.306 175.900 -0.347 0.000 1.125 127 Y CA 1.243 58.938 58.100 -0.675 0.000 1.254 127 Y CB -0.285 37.483 38.460 -1.153 0.000 1.012 127 Y HN 0.400 nan 8.280 nan 0.000 0.555 128 T N -1.989 112.499 114.554 -0.109 0.000 3.194 128 T HA 0.371 4.721 4.350 -0.000 0.000 0.251 128 T C 0.925 175.857 174.700 0.387 0.000 1.132 128 T CA 0.059 62.357 62.100 0.329 0.000 1.028 128 T CB -0.692 68.435 68.868 0.432 0.000 0.976 128 T HN 0.212 nan 8.240 nan 0.000 0.535 129 A N 1.863 124.751 122.820 0.113 0.000 2.567 129 A HA 0.486 4.806 4.320 -0.000 0.000 0.240 129 A C 0.008 177.597 177.584 0.007 0.000 1.053 129 A CA -0.329 51.692 52.037 -0.026 0.000 0.755 129 A CB -0.680 18.279 19.000 -0.068 0.000 0.978 129 A HN 0.772 nan 8.150 nan 0.000 0.507 130 F N -0.359 119.618 119.950 0.044 0.000 2.613 130 F HA 0.838 5.365 4.527 -0.000 0.000 0.314 130 F C -0.327 175.475 175.800 0.002 0.000 1.075 130 F CA -0.851 57.147 58.000 -0.004 0.000 0.945 130 F CB 1.616 40.596 39.000 -0.034 0.000 1.310 130 F HN 0.309 nan 8.300 nan 0.000 0.467 131 T N 3.705 118.220 114.554 -0.066 0.000 2.937 131 T HA 0.477 4.827 4.350 -0.000 0.000 0.297 131 T C -0.683 174.054 174.700 0.062 0.000 0.991 131 T CA -0.534 61.514 62.100 -0.088 0.000 0.990 131 T CB 1.056 69.856 68.868 -0.113 0.000 0.991 131 T HN 0.512 nan 8.240 nan 0.000 0.440 132 I N 6.080 126.708 120.570 0.097 0.000 2.452 132 I HA 0.248 4.417 4.170 -0.000 0.000 0.287 132 I C -1.854 174.270 176.117 0.011 0.000 1.079 132 I CA -2.485 58.870 61.300 0.092 0.000 1.387 132 I CB 0.119 38.197 38.000 0.130 0.000 1.404 132 I HN 0.324 nan 8.210 nan 0.000 0.522 133 P HA 0.216 nan 4.420 nan 0.000 0.293 133 P C -0.445 176.839 177.300 -0.026 0.000 1.298 133 P CA -0.305 62.780 63.100 -0.024 0.000 0.757 133 P CB 0.537 32.224 31.700 -0.022 0.000 1.262 134 S N -1.693 113.989 115.700 -0.030 0.000 2.599 134 S HA 0.643 5.113 4.470 -0.000 0.000 0.287 134 S C -0.480 174.103 174.600 -0.027 0.000 1.105 134 S CA -0.818 57.364 58.200 -0.029 0.000 0.899 134 S CB 0.313 63.495 63.200 -0.031 0.000 1.100 134 S HN 0.135 nan 8.310 nan 0.000 0.482 135 I N 2.446 123.001 120.570 -0.026 0.000 2.452 135 I HA 0.411 4.580 4.170 -0.000 0.000 0.287 135 I C 1.309 177.413 176.117 -0.020 0.000 1.079 135 I CA 0.230 61.516 61.300 -0.023 0.000 1.387 135 I CB -1.084 36.904 38.000 -0.021 0.000 1.404 135 I HN 1.030 nan 8.210 nan 0.000 0.522 136 N N 4.569 123.257 118.700 -0.020 0.000 2.925 136 N HA -0.281 4.459 4.740 -0.000 0.000 0.244 136 N C 0.059 175.555 175.510 -0.023 0.000 1.000 136 N CA 0.846 53.885 53.050 -0.019 0.000 0.895 136 N CB -0.759 37.719 38.487 -0.016 0.000 1.119 136 N HN 0.980 nan 8.380 nan 0.000 0.569 137 N N -0.647 118.037 118.700 -0.027 0.000 2.708 137 N HA -0.225 4.515 4.740 -0.000 0.000 0.251 137 N C -0.092 175.399 175.510 -0.032 0.000 1.123 137 N CA 0.999 54.029 53.050 -0.032 0.000 0.739 137 N CB -1.001 37.465 38.487 -0.034 0.000 1.113 137 N HN 0.567 nan 8.380 nan 0.000 0.561 138 E N -0.221 119.963 120.200 -0.028 0.000 2.510 138 E HA -0.018 4.332 4.350 -0.000 0.000 0.202 138 E C -0.138 176.443 176.600 -0.030 0.000 1.072 138 E CA 0.829 57.213 56.400 -0.026 0.000 0.883 138 E CB 0.257 29.944 29.700 -0.022 0.000 0.818 138 E HN 0.327 nan 8.360 nan 0.000 0.548 139 T N 0.395 114.928 114.554 -0.035 0.000 2.889 139 T HA 0.236 4.586 4.350 -0.000 0.000 0.315 139 T C -2.755 171.914 174.700 -0.051 0.000 1.291 139 T CA -1.287 60.788 62.100 -0.041 0.000 1.028 139 T CB 1.921 70.765 68.868 -0.039 0.000 1.235 139 T HN -0.129 nan 8.240 nan 0.000 0.491 140 P HA 0.270 nan 4.420 nan 0.000 0.276 140 P C 0.538 177.787 177.300 -0.085 0.000 1.253 140 P CA -0.059 62.997 63.100 -0.073 0.000 0.766 140 P CB 0.136 31.789 31.700 -0.079 0.000 0.845 141 G N 4.823 113.572 108.800 -0.085 0.000 2.614 141 G HA2 0.042 4.002 3.960 -0.000 0.000 0.229 141 G HA3 0.042 4.002 3.960 -0.000 0.000 0.229 141 G C 0.424 175.245 174.900 -0.132 0.000 1.232 141 G CA -0.527 44.519 45.100 -0.090 0.000 0.857 141 G HN 0.505 nan 8.290 nan 0.000 0.560 142 I N 0.874 121.364 120.570 -0.134 0.000 2.474 142 I HA 0.287 4.456 4.170 -0.000 0.000 0.287 142 I C 0.712 176.605 176.117 -0.373 0.000 1.048 142 I CA -0.000 61.152 61.300 -0.247 0.000 1.383 142 I CB 0.909 38.811 38.000 -0.164 0.000 1.412 142 I HN 0.392 nan 8.210 nan 0.000 0.531 143 R N 5.516 125.689 120.500 -0.546 0.000 2.387 143 R HA 0.571 4.911 4.340 -0.000 0.000 0.314 143 R C -1.546 174.292 176.300 -0.770 0.000 0.958 143 R CA -0.610 55.163 56.100 -0.545 0.000 0.846 143 R CB 1.725 31.813 30.300 -0.354 0.000 1.147 143 R HN 0.441 nan 8.270 nan 0.000 0.447 144 Y N 0.728 120.627 120.300 -0.669 0.000 2.499 144 Y HA 0.287 4.837 4.550 -0.000 0.000 0.347 144 Y C -0.067 175.372 175.900 -0.769 0.000 0.987 144 Y CA -0.788 56.871 58.100 -0.735 0.000 1.044 144 Y CB 2.298 40.223 38.460 -0.892 0.000 1.245 144 Y HN 0.417 nan 8.280 nan 0.000 0.461 145 Q N 1.801 121.479 119.800 -0.204 0.000 2.375 145 Q HA 0.450 4.790 4.340 -0.000 0.000 0.271 145 Q C -1.922 174.079 176.000 0.002 0.000 1.074 145 Q CA -0.841 54.913 55.803 -0.082 0.000 0.808 145 Q CB 1.630 30.323 28.738 -0.074 0.000 1.327 145 Q HN 0.743 nan 8.270 nan 0.000 0.441 146 Y N 2.049 122.440 120.300 0.151 0.000 2.309 146 Y HA 0.203 4.753 4.550 -0.000 0.000 0.327 146 Y C 0.773 176.726 175.900 0.087 0.000 1.172 146 Y CA 0.117 58.307 58.100 0.150 0.000 1.280 146 Y CB 1.033 39.620 38.460 0.211 0.000 1.234 146 Y HN 0.674 nan 8.280 nan 0.000 0.512 147 N N 1.549 120.384 118.700 0.224 0.000 2.235 147 N HA 0.162 4.902 4.740 -0.000 0.000 0.231 147 N C -1.233 174.372 175.510 0.159 0.000 1.177 147 N CA 0.272 53.414 53.050 0.153 0.000 0.874 147 N CB 1.066 39.607 38.487 0.091 0.000 1.097 147 N HN 0.374 nan 8.380 nan 0.000 0.518 148 V N -2.602 117.435 119.914 0.204 0.000 3.178 148 V HA 0.469 4.589 4.120 -0.000 0.000 0.302 148 V C -0.672 175.551 176.094 0.215 0.000 1.262 148 V CA -1.221 61.185 62.300 0.177 0.000 1.030 148 V CB 1.755 33.626 31.823 0.079 0.000 1.074 148 V HN -0.076 nan 8.190 nan 0.000 0.438 149 L N 3.470 124.849 121.223 0.260 0.000 2.698 149 L HA 0.295 4.635 4.340 -0.000 0.000 0.272 149 L C -1.690 175.275 176.870 0.159 0.000 1.154 149 L CA -1.078 53.945 54.840 0.306 0.000 0.964 149 L CB -0.489 41.765 42.059 0.325 0.000 1.272 149 L HN 0.534 nan 8.230 nan 0.000 0.483 150 P HA 0.010 nan 4.420 nan 0.000 0.280 150 P C -0.089 177.182 177.300 -0.049 0.000 1.278 150 P CA -0.117 62.718 63.100 -0.442 0.000 0.787 150 P CB 1.057 31.882 31.700 -1.458 0.000 1.163 151 Q N -0.119 119.734 119.800 0.089 0.000 1.994 151 Q HA 0.023 4.363 4.340 -0.000 0.000 0.197 151 Q C 2.461 178.452 176.000 -0.014 0.000 0.981 151 Q CA 1.200 56.985 55.803 -0.029 0.000 0.838 151 Q CB -1.216 27.551 28.738 0.048 0.000 0.904 151 Q HN 0.633 nan 8.270 nan 0.000 0.460 152 G N 1.100 110.043 108.800 0.238 0.000 2.626 152 G HA2 -0.265 3.695 3.960 -0.000 0.000 0.224 152 G HA3 -0.265 3.695 3.960 -0.000 0.000 0.224 152 G C 0.126 175.187 174.900 0.268 0.000 1.095 152 G CA 0.428 45.727 45.100 0.331 0.000 0.738 152 G HN 0.390 nan 8.290 nan 0.000 0.600 153 W N 2.363 123.589 121.300 -0.124 0.000 2.655 153 W HA 0.330 4.990 4.660 -0.000 0.000 0.333 153 W C 0.616 177.026 176.519 -0.181 0.000 1.382 153 W CA -1.383 55.670 57.345 -0.487 0.000 1.398 153 W CB 0.149 28.876 29.460 -1.221 0.000 1.481 153 W HN -0.097 nan 8.180 nan 0.000 0.526 154 K N 4.962 125.079 120.400 -0.472 0.000 3.443 154 K HA 0.030 4.350 4.320 -0.000 0.000 0.290 154 K C 1.037 177.239 176.600 -0.662 0.000 0.785 154 K CA 0.774 56.826 56.287 -0.391 0.000 1.004 154 K CB -0.623 31.878 32.500 0.002 0.000 1.084 154 K HN 0.784 nan 8.250 nan 0.000 0.366 155 G N -1.177 106.729 108.800 -1.491 0.000 3.601 155 G HA2 -0.065 3.895 3.960 -0.000 0.000 0.192 155 G HA3 -0.065 3.895 3.960 -0.000 0.000 0.192 155 G C 0.980 175.219 174.900 -1.102 0.000 1.184 155 G CA -0.320 44.125 45.100 -1.093 0.000 0.891 155 G HN 0.220 nan 8.290 nan 0.000 0.706 156 S N 2.029 117.010 115.700 -1.198 0.000 2.345 156 S HA 0.005 4.475 4.470 -0.000 0.000 0.219 156 S C 0.020 174.673 174.600 0.089 0.000 1.031 156 S CA 1.463 59.425 58.200 -0.397 0.000 0.984 156 S CB -0.724 62.229 63.200 -0.412 0.000 0.874 156 S HN 0.338 nan 8.310 nan 0.000 0.451 157 P HA -0.164 nan 4.420 nan 0.000 0.212 157 P C 1.511 178.957 177.300 0.243 0.000 1.178 157 P CA 1.860 65.231 63.100 0.451 0.000 0.915 157 P CB -0.307 31.537 31.700 0.240 0.000 0.788 158 A N -0.378 122.477 122.820 0.058 0.000 1.958 158 A HA -0.210 4.110 4.320 -0.000 0.000 0.221 158 A C 2.435 179.999 177.584 -0.033 0.000 1.178 158 A CA 1.926 53.945 52.037 -0.030 0.000 0.642 158 A CB -1.708 17.212 19.000 -0.134 0.000 0.816 158 A HN 0.180 nan 8.150 nan 0.000 0.453 159 I N -2.680 117.931 120.570 0.068 0.000 2.286 159 I HA -0.150 4.020 4.170 -0.000 0.000 0.245 159 I C 2.205 178.415 176.117 0.154 0.000 1.104 159 I CA 1.125 62.493 61.300 0.114 0.000 1.397 159 I CB -0.235 37.923 38.000 0.263 0.000 1.072 159 I HN 0.385 nan 8.210 nan 0.000 0.417 160 F N 1.704 121.680 119.950 0.043 0.000 2.502 160 F HA -0.128 4.399 4.527 -0.000 0.000 0.298 160 F C 2.221 177.978 175.800 -0.072 0.000 1.111 160 F CA 0.913 58.891 58.000 -0.038 0.000 1.445 160 F CB -0.362 38.535 39.000 -0.173 0.000 1.081 160 F HN 0.074 nan 8.300 nan 0.000 0.558 161 Q N 0.289 120.097 119.800 0.014 0.000 1.575 161 Q HA -0.400 3.940 4.340 -0.000 0.000 0.488 161 Q C 2.438 178.302 176.000 -0.226 0.000 1.023 161 Q CA 3.245 59.002 55.803 -0.078 0.000 0.865 161 Q CB -0.747 27.950 28.738 -0.068 0.000 0.953 161 Q HN 0.532 nan 8.270 nan 0.000 0.380 162 S N -0.207 115.379 115.700 -0.191 0.000 2.513 162 S HA -0.367 4.103 4.470 -0.000 0.000 0.311 162 S C 1.998 176.403 174.600 -0.325 0.000 1.227 162 S CA 2.385 60.457 58.200 -0.214 0.000 1.234 162 S CB -1.305 61.791 63.200 -0.174 0.000 1.244 162 S HN 0.418 nan 8.310 nan 0.000 0.445 163 S N 1.462 116.863 115.700 -0.497 0.000 2.374 163 S HA -0.103 4.367 4.470 -0.000 0.000 0.227 163 S C 1.788 175.946 174.600 -0.737 0.000 1.037 163 S CA 1.800 59.574 58.200 -0.711 0.000 1.024 163 S CB -0.550 61.973 63.200 -1.128 0.000 0.861 163 S HN 0.573 nan 8.310 nan 0.000 0.456 164 M N 1.989 121.137 119.600 -0.753 0.000 2.091 164 M HA -0.117 4.363 4.480 -0.000 0.000 0.259 164 M C 2.301 178.443 176.300 -0.264 0.000 1.076 164 M CA 2.323 57.381 55.300 -0.403 0.000 1.111 164 M CB -1.404 31.094 32.600 -0.169 0.000 1.291 164 M HN 0.407 nan 8.290 nan 0.000 0.417 165 T N -1.575 112.860 114.554 -0.199 0.000 2.837 165 T HA -0.277 4.073 4.350 -0.000 0.000 0.266 165 T C 1.810 176.415 174.700 -0.157 0.000 1.077 165 T CA 1.987 64.003 62.100 -0.140 0.000 1.133 165 T CB -0.709 68.090 68.868 -0.116 0.000 0.830 165 T HN 0.550 nan 8.240 nan 0.000 0.512 166 K N 0.573 120.838 120.400 -0.225 0.000 2.128 166 K HA 0.225 4.545 4.320 -0.000 0.000 0.202 166 K C 2.225 178.658 176.600 -0.278 0.000 1.050 166 K CA 0.553 56.699 56.287 -0.234 0.000 0.966 166 K CB -0.089 32.247 32.500 -0.273 0.000 0.759 166 K HN 0.392 nan 8.250 nan 0.000 0.454 167 I N 1.026 121.402 120.570 -0.323 0.000 2.500 167 I HA -0.167 4.003 4.170 -0.000 0.000 0.252 167 I C 1.625 177.571 176.117 -0.286 0.000 1.142 167 I CA 0.731 61.812 61.300 -0.364 0.000 1.451 167 I CB 0.120 37.941 38.000 -0.298 0.000 1.093 167 I HN 0.141 nan 8.210 nan 0.000 0.430 168 L N 1.068 122.160 121.223 -0.218 0.000 2.627 168 L HA -0.010 4.330 4.340 -0.000 0.000 0.232 168 L C 2.267 179.147 176.870 0.018 0.000 1.150 168 L CA 0.292 55.040 54.840 -0.154 0.000 0.917 168 L CB -0.301 41.673 42.059 -0.141 0.000 1.104 168 L HN 0.373 nan 8.230 nan 0.000 0.445 169 E N 1.718 121.940 120.200 0.037 0.000 2.030 169 E HA -0.093 4.256 4.350 -0.000 0.000 0.189 169 E C -1.048 175.665 176.600 0.188 0.000 0.974 169 E CA 0.265 56.714 56.400 0.083 0.000 0.807 169 E CB -0.723 28.987 29.700 0.017 0.000 0.771 169 E HN 0.196 nan 8.360 nan 0.000 0.451 170 P HA -0.040 nan 4.420 nan 0.000 0.296 170 P C -0.357 177.172 177.300 0.381 0.000 1.447 170 P CA 0.773 64.043 63.100 0.283 0.000 0.750 170 P CB -0.587 31.309 31.700 0.326 0.000 1.451 171 F N -1.504 118.576 119.950 0.216 0.000 2.828 171 F HA 0.223 4.750 4.527 -0.000 0.000 0.368 171 F C 1.459 177.321 175.800 0.103 0.000 0.877 171 F CA 0.095 58.218 58.000 0.206 0.000 1.071 171 F CB 0.347 39.575 39.000 0.379 0.000 1.006 171 F HN -0.366 nan 8.300 nan 0.000 0.598 172 K N 1.126 121.745 120.400 0.366 0.000 2.217 172 K HA -0.069 4.251 4.320 -0.000 0.000 0.202 172 K C 1.528 178.177 176.600 0.082 0.000 1.051 172 K CA 1.052 57.473 56.287 0.223 0.000 0.952 172 K CB 0.070 32.661 32.500 0.151 0.000 0.736 172 K HN 0.321 nan 8.250 nan 0.000 0.453 173 K N 0.826 121.265 120.400 0.066 0.000 1.968 173 K HA -0.177 4.142 4.320 -0.000 0.000 0.222 173 K C 2.094 178.668 176.600 -0.044 0.000 1.043 173 K CA 1.218 57.513 56.287 0.013 0.000 0.991 173 K CB -0.241 32.271 32.500 0.020 0.000 0.744 173 K HN -0.008 nan 8.250 nan 0.000 0.445 174 Q N 1.273 121.018 119.800 -0.092 0.000 1.928 174 Q HA -0.190 4.150 4.340 -0.000 0.000 0.223 174 Q C 0.435 176.322 176.000 -0.188 0.000 1.042 174 Q CA 1.618 57.321 55.803 -0.167 0.000 0.892 174 Q CB -1.058 27.512 28.738 -0.280 0.000 1.001 174 Q HN 0.476 nan 8.270 nan 0.000 0.419 175 N N 2.085 120.595 118.700 -0.317 0.000 2.482 175 N HA 0.132 4.872 4.740 -0.000 0.000 0.242 175 N C -2.168 173.293 175.510 -0.082 0.000 1.100 175 N CA -0.947 51.967 53.050 -0.228 0.000 0.946 175 N CB 1.149 39.422 38.487 -0.357 0.000 1.227 175 N HN 0.103 nan 8.380 nan 0.000 0.508 176 P HA -0.086 nan 4.420 nan 0.000 0.197 176 P C 0.550 177.862 177.300 0.021 0.000 1.076 176 P CA 0.820 63.919 63.100 -0.001 0.000 0.876 176 P CB 0.187 31.882 31.700 -0.008 0.000 0.705 177 D N -1.073 119.335 120.400 0.013 0.000 2.680 177 D HA -0.174 4.466 4.640 -0.000 0.000 0.198 177 D C 0.415 176.741 176.300 0.043 0.000 1.059 177 D CA 0.906 54.920 54.000 0.023 0.000 0.948 177 D CB -0.641 40.170 40.800 0.018 0.000 0.871 177 D HN 0.082 nan 8.370 nan 0.000 0.466 178 I N 1.154 121.763 120.570 0.064 0.000 2.618 178 I HA -0.000 4.170 4.170 -0.000 0.000 0.284 178 I C 0.664 176.843 176.117 0.103 0.000 1.146 178 I CA -0.107 61.254 61.300 0.102 0.000 1.425 178 I CB 0.291 38.410 38.000 0.199 0.000 1.383 178 I HN -0.178 nan 8.210 nan 0.000 0.562 179 V N 6.081 126.049 119.914 0.090 0.000 2.532 179 V HA 0.617 4.737 4.120 -0.000 0.000 0.295 179 V C -0.223 175.934 176.094 0.106 0.000 1.041 179 V CA -0.655 61.690 62.300 0.076 0.000 0.926 179 V CB 2.015 33.871 31.823 0.055 0.000 0.992 179 V HN 0.489 nan 8.190 nan 0.000 0.457 180 I N 5.337 125.967 120.570 0.099 0.000 2.476 180 I HA 0.343 4.513 4.170 -0.000 0.000 0.281 180 I C -1.441 174.802 176.117 0.210 0.000 1.040 180 I CA -0.484 60.897 61.300 0.135 0.000 1.094 180 I CB 1.646 39.687 38.000 0.068 0.000 1.219 180 I HN 0.713 nan 8.210 nan 0.000 0.450 181 Y N 6.853 127.241 120.300 0.146 0.000 2.331 181 Y HA 0.322 4.872 4.550 -0.000 0.000 0.338 181 Y C -0.306 175.756 175.900 0.270 0.000 0.976 181 Y CA -1.195 57.002 58.100 0.161 0.000 1.137 181 Y CB 1.459 39.994 38.460 0.124 0.000 1.172 181 Y HN 0.548 nan 8.280 nan 0.000 0.478 182 Q N 7.983 128.218 119.800 0.725 0.000 2.400 182 Q HA 0.208 4.548 4.340 -0.000 0.000 0.255 182 Q C -2.048 174.188 176.000 0.392 0.000 1.008 182 Q CA -0.512 55.552 55.803 0.434 0.000 0.841 182 Q CB 0.720 29.654 28.738 0.327 0.000 1.220 182 Q HN 0.894 nan 8.270 nan 0.000 0.474 183 Y N 7.766 128.059 120.300 -0.013 0.000 2.464 183 Y HA 0.219 4.769 4.550 -0.000 0.000 0.326 183 Y C 0.403 176.355 175.900 0.087 0.000 0.969 183 Y CA -0.719 57.300 58.100 -0.135 0.000 1.270 183 Y CB 0.439 38.565 38.460 -0.557 0.000 1.103 183 Y HN 0.974 nan 8.280 nan 0.000 0.491 184 M N 1.749 121.643 119.600 0.489 0.000 7.319 184 M HA -0.413 4.067 4.480 -0.000 0.000 0.252 184 M C -0.039 176.346 176.300 0.141 0.000 0.480 184 M CA 2.215 57.660 55.300 0.240 0.000 1.311 184 M CB -1.212 31.477 32.600 0.148 0.000 0.421 184 M HN 0.552 nan 8.290 nan 0.000 0.355 185 D N 0.676 121.127 120.400 0.085 0.000 2.338 185 D HA 0.128 4.768 4.640 -0.000 0.000 0.208 185 D C -0.299 176.078 176.300 0.128 0.000 0.997 185 D CA 1.319 55.357 54.000 0.063 0.000 0.880 185 D CB 0.038 40.818 40.800 -0.032 0.000 0.980 185 D HN 0.616 nan 8.370 nan 0.000 0.509 186 D N -0.489 119.986 120.400 0.126 0.000 2.350 186 D HA 0.401 5.040 4.640 -0.000 0.000 0.245 186 D C -0.427 175.959 176.300 0.145 0.000 1.036 186 D CA -0.618 53.419 54.000 0.063 0.000 0.848 186 D CB 1.755 42.491 40.800 -0.106 0.000 1.307 186 D HN -0.131 nan 8.370 nan 0.000 0.469 187 L N 1.216 122.474 121.223 0.058 0.000 2.371 187 L HA 0.293 4.633 4.340 -0.000 0.000 0.272 187 L C -0.814 176.069 176.870 0.022 0.000 1.124 187 L CA -0.679 54.236 54.840 0.125 0.000 0.816 187 L CB 0.540 42.628 42.059 0.049 0.000 1.129 187 L HN 0.479 nan 8.230 nan 0.000 0.448 188 Y N 2.142 122.505 120.300 0.105 0.000 2.712 188 Y HA 0.301 4.851 4.550 -0.000 0.000 0.328 188 Y C -0.201 175.774 175.900 0.123 0.000 0.995 188 Y CA -0.813 57.360 58.100 0.122 0.000 1.283 188 Y CB 1.092 39.646 38.460 0.157 0.000 1.092 188 Y HN 0.137 nan 8.280 nan 0.000 0.519 189 V N 1.762 121.766 119.914 0.150 0.000 2.461 189 V HA 0.741 4.861 4.120 -0.000 0.000 0.275 189 V C 0.628 176.815 176.094 0.156 0.000 1.047 189 V CA -0.584 61.782 62.300 0.109 0.000 0.955 189 V CB 0.941 32.769 31.823 0.010 0.000 0.988 189 V HN 0.808 nan 8.190 nan 0.000 0.471 190 G N 2.976 111.865 108.800 0.148 0.000 2.683 190 G HA2 0.663 4.623 3.960 -0.000 0.000 0.299 190 G HA3 0.663 4.623 3.960 -0.000 0.000 0.299 190 G C -0.569 174.418 174.900 0.145 0.000 1.432 190 G CA -0.274 44.935 45.100 0.181 0.000 0.978 190 G HN 1.023 nan 8.290 nan 0.000 0.513 191 S N 0.781 116.622 115.700 0.234 0.000 2.549 191 S HA 0.500 4.970 4.470 -0.000 0.000 0.280 191 S C -1.127 173.608 174.600 0.226 0.000 1.109 191 S CA -0.944 57.371 58.200 0.193 0.000 0.905 191 S CB 2.574 65.839 63.200 0.109 0.000 1.081 191 S HN 0.357 nan 8.310 nan 0.000 0.477 192 D N 2.488 122.964 120.400 0.126 0.000 2.619 192 D HA 0.366 5.006 4.640 -0.000 0.000 0.224 192 D C -0.423 175.934 176.300 0.095 0.000 1.133 192 D CA 0.184 54.240 54.000 0.093 0.000 1.017 192 D CB 0.027 40.859 40.800 0.054 0.000 1.077 192 D HN 0.441 nan 8.370 nan 0.000 0.503 193 L N 0.103 121.405 121.223 0.132 0.000 2.350 193 L HA 0.317 4.657 4.340 -0.000 0.000 0.260 193 L C 0.562 177.490 176.870 0.098 0.000 1.015 193 L CA -1.080 53.828 54.840 0.115 0.000 0.821 193 L CB 2.413 44.563 42.059 0.152 0.000 1.370 193 L HN 0.021 nan 8.230 nan 0.000 0.416 194 E N 1.463 121.706 120.200 0.072 0.000 2.415 194 E HA -0.030 4.320 4.350 -0.000 0.000 0.263 194 E C 0.718 177.363 176.600 0.075 0.000 0.995 194 E CA -0.080 56.354 56.400 0.056 0.000 0.915 194 E CB 1.027 30.752 29.700 0.041 0.000 0.951 194 E HN 0.529 nan 8.360 nan 0.000 0.449 195 I N 6.230 126.836 120.570 0.060 0.000 3.810 195 I HA -0.406 3.764 4.170 -0.000 0.000 0.148 195 I C 2.061 178.234 176.117 0.094 0.000 0.767 195 I CA 2.961 64.297 61.300 0.060 0.000 0.997 195 I CB -1.129 36.907 38.000 0.059 0.000 0.772 195 I HN 0.852 nan 8.210 nan 0.000 0.298 196 G N -1.068 107.776 108.800 0.074 0.000 2.927 196 G HA2 -0.442 3.518 3.960 -0.000 0.000 0.229 196 G HA3 -0.442 3.518 3.960 -0.000 0.000 0.229 196 G C 1.457 176.410 174.900 0.087 0.000 1.102 196 G CA 1.651 46.792 45.100 0.068 0.000 0.742 196 G HN 0.740 nan 8.290 nan 0.000 0.652 197 Q N -1.096 118.761 119.800 0.095 0.000 1.994 197 Q HA -0.038 4.302 4.340 -0.000 0.000 0.198 197 Q C 2.208 178.295 176.000 0.144 0.000 0.976 197 Q CA 1.355 57.214 55.803 0.094 0.000 0.828 197 Q CB -0.322 28.462 28.738 0.077 0.000 0.894 197 Q HN 0.874 nan 8.270 nan 0.000 0.432 198 H N 0.952 120.056 119.070 0.057 0.000 2.254 198 H HA -0.137 4.419 4.556 -0.000 0.000 0.294 198 H C 2.085 177.461 175.328 0.080 0.000 1.071 198 H CA 2.052 58.144 56.048 0.073 0.000 1.228 198 H CB 0.084 29.890 29.762 0.074 0.000 1.358 198 H HN 0.039 nan 8.280 nan 0.000 0.495 199 R N -0.524 120.260 120.500 0.473 0.000 2.208 199 R HA -0.218 4.122 4.340 -0.000 0.000 0.262 199 R C 2.394 178.801 176.300 0.179 0.000 1.166 199 R CA 2.084 58.377 56.100 0.322 0.000 0.987 199 R CB -0.833 29.575 30.300 0.179 0.000 0.887 199 R HN 0.478 nan 8.270 nan 0.000 0.459 200 T N 1.118 115.751 114.554 0.131 0.000 2.668 200 T HA -0.084 4.265 4.350 -0.000 0.000 0.262 200 T C 1.680 176.434 174.700 0.091 0.000 1.045 200 T CA 1.041 63.193 62.100 0.086 0.000 1.152 200 T CB -0.033 68.871 68.868 0.060 0.000 0.864 200 T HN 0.176 nan 8.240 nan 0.000 0.419 201 K N 1.083 121.526 120.400 0.071 0.000 2.077 201 K HA -0.141 4.178 4.320 -0.000 0.000 0.213 201 K C 2.135 178.841 176.600 0.176 0.000 1.051 201 K CA 1.195 57.541 56.287 0.098 0.000 0.929 201 K CB -0.913 31.591 32.500 0.006 0.000 0.715 201 K HN 0.303 nan 8.250 nan 0.000 0.451 202 I N 1.353 121.958 120.570 0.058 0.000 2.036 202 I HA -0.266 3.903 4.170 -0.000 0.000 0.231 202 I C 2.503 178.679 176.117 0.099 0.000 1.044 202 I CA 1.426 62.763 61.300 0.061 0.000 1.315 202 I CB -1.515 36.536 38.000 0.086 0.000 1.051 202 I HN 0.217 nan 8.210 nan 0.000 0.391 203 E N 1.137 121.395 120.200 0.097 0.000 2.169 203 E HA -0.303 4.047 4.350 -0.000 0.000 0.202 203 E C 2.094 178.761 176.600 0.113 0.000 1.016 203 E CA 2.095 58.547 56.400 0.087 0.000 0.817 203 E CB -0.358 29.383 29.700 0.069 0.000 0.736 203 E HN 0.521 nan 8.360 nan 0.000 0.462 204 E N -1.130 119.159 120.200 0.149 0.000 2.150 204 E HA -0.155 4.195 4.350 -0.000 0.000 0.193 204 E C 1.861 178.678 176.600 0.362 0.000 0.985 204 E CA 0.948 57.467 56.400 0.199 0.000 0.814 204 E CB -0.138 29.660 29.700 0.163 0.000 0.752 204 E HN 0.335 nan 8.360 nan 0.000 0.466 205 L N 1.133 122.586 121.223 0.384 0.000 2.022 205 L HA -0.010 4.330 4.340 -0.000 0.000 0.204 205 L C 2.114 179.024 176.870 0.068 0.000 1.076 205 L CA 1.577 56.520 54.840 0.173 0.000 0.749 205 L CB -0.801 41.084 42.059 -0.290 0.000 0.903 205 L HN -0.045 nan 8.230 nan 0.000 0.439 206 R N -0.354 120.166 120.500 0.034 0.000 2.159 206 R HA -0.244 4.096 4.340 -0.000 0.000 0.252 206 R C 2.145 178.496 176.300 0.085 0.000 1.144 206 R CA 2.030 58.150 56.100 0.034 0.000 0.961 206 R CB -0.721 29.602 30.300 0.039 0.000 0.877 206 R HN 0.560 nan 8.270 nan 0.000 0.444 207 Q N -0.506 119.364 119.800 0.117 0.000 2.297 207 Q HA -0.185 4.155 4.340 -0.000 0.000 0.208 207 Q C 1.917 178.026 176.000 0.182 0.000 0.981 207 Q CA 1.226 57.099 55.803 0.117 0.000 0.876 207 Q CB -0.259 28.537 28.738 0.097 0.000 0.921 207 Q HN 0.500 nan 8.270 nan 0.000 0.446 208 H N 1.253 120.389 119.070 0.109 0.000 2.260 208 H HA 0.014 4.570 4.556 -0.000 0.000 0.304 208 H C 2.103 177.536 175.328 0.175 0.000 1.059 208 H CA 1.264 57.409 56.048 0.162 0.000 1.305 208 H CB -0.480 29.421 29.762 0.232 0.000 1.388 208 H HN 0.103 nan 8.280 nan 0.000 0.496 209 L N 0.123 121.429 121.223 0.138 0.000 2.051 209 L HA -0.228 4.111 4.340 -0.000 0.000 0.214 209 L C 2.788 179.765 176.870 0.178 0.000 1.076 209 L CA 1.383 56.255 54.840 0.054 0.000 0.758 209 L CB -0.752 41.285 42.059 -0.036 0.000 0.890 209 L HN 0.260 nan 8.230 nan 0.000 0.433 210 L N 1.045 122.353 121.223 0.143 0.000 2.012 210 L HA -0.212 4.128 4.340 -0.000 0.000 0.210 210 L C 2.703 179.638 176.870 0.108 0.000 1.073 210 L CA 1.916 56.823 54.840 0.111 0.000 0.748 210 L CB -0.655 41.450 42.059 0.077 0.000 0.891 210 L HN 0.312 nan 8.230 nan 0.000 0.431 211 R N -2.442 118.116 120.500 0.096 0.000 2.328 211 R HA -0.115 4.225 4.340 -0.000 0.000 0.200 211 R C 1.505 177.728 176.300 -0.128 0.000 0.983 211 R CA 0.797 56.872 56.100 -0.042 0.000 1.062 211 R CB -0.684 29.539 30.300 -0.130 0.000 0.956 211 R HN 0.537 nan 8.270 nan 0.000 0.479 212 W N -1.088 120.280 121.300 0.113 0.000 2.792 212 W HA 0.339 4.999 4.660 -0.000 0.000 0.262 212 W C 1.392 177.954 176.519 0.072 0.000 1.212 212 W CA 0.509 57.915 57.345 0.101 0.000 1.433 212 W CB 1.282 30.820 29.460 0.131 0.000 1.004 212 W HN 0.356 nan 8.180 nan 0.000 0.608 213 G N -1.027 107.975 108.800 0.337 0.000 4.197 213 G HA2 -0.050 3.909 3.960 -0.000 0.000 0.197 213 G HA3 -0.050 3.909 3.960 -0.000 0.000 0.197 213 G C 0.052 175.047 174.900 0.158 0.000 1.033 213 G CA -0.578 44.662 45.100 0.233 0.000 0.876 213 G HN -0.115 nan 8.290 nan 0.000 0.314 214 L N 2.385 123.699 121.223 0.150 0.000 2.489 214 L HA 0.438 4.778 4.340 -0.000 0.000 0.285 214 L C 0.540 177.447 176.870 0.063 0.000 1.259 214 L CA 1.025 55.915 54.840 0.084 0.000 0.828 214 L CB 0.108 42.206 42.059 0.065 0.000 1.094 214 L HN 0.482 nan 8.230 nan 0.000 0.524 215 T N -2.177 112.393 114.554 0.026 0.000 2.912 215 T HA 0.540 4.890 4.350 -0.000 0.000 0.299 215 T C -0.369 174.330 174.700 -0.002 0.000 1.052 215 T CA -0.844 61.268 62.100 0.020 0.000 0.996 215 T CB 1.822 70.701 68.868 0.018 0.000 1.070 215 T HN 0.677 nan 8.240 nan 0.000 0.465 216 T N -0.244 114.311 114.554 0.002 0.000 2.892 216 T HA 0.466 4.816 4.350 -0.000 0.000 0.311 216 T C -1.983 172.714 174.700 -0.004 0.000 1.033 216 T CA -1.826 60.268 62.100 -0.010 0.000 0.991 216 T CB 1.529 70.392 68.868 -0.009 0.000 0.981 216 T HN 0.398 nan 8.240 nan 0.000 0.457 217 P HA -0.024 nan 4.420 nan 0.000 0.236 217 P C 0.429 177.732 177.300 0.004 0.000 1.172 217 P CA 0.297 63.392 63.100 -0.007 0.000 0.759 217 P CB 0.065 31.753 31.700 -0.021 0.000 0.843 218 D N 0.692 121.096 120.400 0.006 0.000 2.424 218 D HA -0.134 4.506 4.640 -0.000 0.000 0.221 218 D C 0.437 176.769 176.300 0.054 0.000 0.978 218 D CA 0.834 54.848 54.000 0.024 0.000 0.971 218 D CB -0.323 40.491 40.800 0.023 0.000 0.869 218 D HN 0.384 nan 8.370 nan 0.000 0.506 219 K N 1.587 122.016 120.400 0.048 0.000 2.319 219 K HA -0.037 4.283 4.320 -0.000 0.000 0.277 219 K C 1.299 177.959 176.600 0.101 0.000 1.111 219 K CA 0.022 56.349 56.287 0.067 0.000 1.093 219 K CB 0.736 33.264 32.500 0.046 0.000 0.910 219 K HN -0.145 nan 8.250 nan 0.000 0.452 220 K N 2.272 122.781 120.400 0.182 0.000 1.991 220 K HA -0.037 4.283 4.320 -0.000 0.000 0.207 220 K C 1.231 177.982 176.600 0.251 0.000 1.045 220 K CA 1.580 58.006 56.287 0.232 0.000 0.937 220 K CB -0.051 32.653 32.500 0.340 0.000 0.720 220 K HN 0.670 nan 8.250 nan 0.000 0.438 221 H N -1.330 117.776 119.070 0.060 0.000 3.787 221 H HA 0.414 4.970 4.556 -0.000 0.000 0.292 221 H C -0.174 175.172 175.328 0.031 0.000 1.590 221 H CA -0.879 55.205 56.048 0.060 0.000 1.496 221 H CB 1.095 30.908 29.762 0.085 0.000 0.861 221 H HN -0.158 nan 8.280 nan 0.000 0.793 222 Q N 0.470 120.363 119.800 0.154 0.000 3.885 222 Q HA 0.070 4.410 4.340 -0.000 0.000 0.182 222 Q C -1.241 174.765 176.000 0.011 0.000 0.737 222 Q CA -0.240 55.593 55.803 0.050 0.000 0.885 222 Q CB 0.299 29.067 28.738 0.050 0.000 1.563 222 Q HN 0.482 nan 8.270 nan 0.000 0.399 223 K N 0.559 120.933 120.400 -0.042 0.000 3.125 223 K HA -0.191 4.129 4.320 -0.000 0.000 0.268 223 K C -1.216 175.359 176.600 -0.041 0.000 1.078 223 K CA 1.230 57.477 56.287 -0.068 0.000 0.775 223 K CB -1.170 31.301 32.500 -0.047 0.000 1.253 223 K HN 0.691 nan 8.250 nan 0.000 0.486 224 E N -0.088 120.105 120.200 -0.012 0.000 2.428 224 E HA 0.253 4.603 4.350 -0.000 0.000 0.307 224 E C -2.753 173.900 176.600 0.089 0.000 0.902 224 E CA -1.139 55.275 56.400 0.024 0.000 0.799 224 E CB 1.153 30.884 29.700 0.052 0.000 1.351 224 E HN -0.166 nan 8.360 nan 0.000 0.392 225 P HA 0.356 nan 4.420 nan 0.000 0.227 225 P C -2.453 175.006 177.300 0.265 0.000 1.815 225 P CA -1.439 61.740 63.100 0.132 0.000 1.134 225 P CB 0.099 31.704 31.700 -0.158 0.000 1.795 226 P HA 0.276 nan 4.420 nan 0.000 0.214 226 P C -0.247 177.287 177.300 0.389 0.000 1.849 226 P CA -0.942 62.323 63.100 0.274 0.000 1.022 226 P CB -0.356 31.451 31.700 0.179 0.000 1.912 227 F N 0.971 121.111 119.950 0.318 0.000 3.074 227 F HA -0.221 4.306 4.527 -0.000 0.000 0.287 227 F C -0.989 174.745 175.800 -0.110 0.000 0.932 227 F CA 0.337 58.388 58.000 0.086 0.000 0.995 227 F CB -1.352 37.666 39.000 0.032 0.000 0.966 227 F HN 0.297 nan 8.300 nan 0.000 0.721 228 L N 1.409 122.535 121.223 -0.161 0.000 3.903 228 L HA 0.119 4.459 4.340 -0.000 0.000 0.233 228 L C -1.440 175.367 176.870 -0.104 0.000 1.018 228 L CA -0.227 54.416 54.840 -0.330 0.000 1.388 228 L CB 0.324 42.248 42.059 -0.225 0.000 1.891 228 L HN 0.379 nan 8.230 nan 0.000 0.720 229 W N 3.566 124.739 121.300 -0.212 0.000 1.949 229 W HA 0.633 5.293 4.660 -0.000 0.000 0.299 229 W C -1.500 174.722 176.519 -0.494 0.000 0.959 229 W CA -1.021 56.059 57.345 -0.442 0.000 1.665 229 W CB 0.135 29.514 29.460 -0.136 0.000 1.829 229 W HN 0.064 nan 8.180 nan 0.000 0.375 230 M N 3.102 122.478 119.600 -0.374 0.000 2.205 230 M HA 0.678 5.158 4.480 -0.000 0.000 0.344 230 M C 0.357 176.566 176.300 -0.153 0.000 1.085 230 M CA -0.558 54.584 55.300 -0.263 0.000 1.001 230 M CB 2.029 34.461 32.600 -0.281 0.000 1.626 230 M HN 0.566 nan 8.290 nan 0.000 0.442 231 G N 1.952 110.733 108.800 -0.032 0.000 2.626 231 G HA2 0.419 4.379 3.960 -0.000 0.000 0.304 231 G HA3 0.419 4.379 3.960 -0.000 0.000 0.304 231 G C -1.428 173.495 174.900 0.039 0.000 1.385 231 G CA -0.427 44.709 45.100 0.061 0.000 0.957 231 G HN 0.672 nan 8.290 nan 0.000 0.504 232 Y N 2.131 122.416 120.300 -0.024 0.000 2.829 232 Y HA -0.030 4.520 4.550 -0.000 0.000 0.383 232 Y C 0.822 176.709 175.900 -0.022 0.000 1.382 232 Y CA 0.965 59.047 58.100 -0.030 0.000 1.858 232 Y CB -0.003 38.418 38.460 -0.064 0.000 1.331 232 Y HN 0.391 nan 8.280 nan 0.000 0.475 233 E N 5.939 126.090 120.200 -0.083 0.000 2.185 233 E HA 0.357 4.707 4.350 -0.000 0.000 0.261 233 E C -0.876 175.595 176.600 -0.214 0.000 0.879 233 E CA -0.627 55.700 56.400 -0.121 0.000 0.756 233 E CB 1.820 31.425 29.700 -0.157 0.000 1.152 233 E HN 0.486 nan 8.360 nan 0.000 0.416 234 L N 1.923 123.061 121.223 -0.141 0.000 2.376 234 L HA 0.465 4.804 4.340 -0.000 0.000 0.267 234 L C 0.238 176.807 176.870 -0.502 0.000 1.035 234 L CA -0.874 53.943 54.840 -0.040 0.000 0.800 234 L CB 0.952 43.194 42.059 0.306 0.000 1.290 234 L HN 0.506 nan 8.230 nan 0.000 0.462 235 H N 0.815 119.746 119.070 -0.232 0.000 2.596 235 H HA 0.158 4.714 4.556 -0.000 0.000 0.240 235 H C -2.114 172.623 175.328 -0.985 0.000 1.406 235 H CA -1.267 54.548 56.048 -0.389 0.000 1.504 235 H CB 0.940 30.607 29.762 -0.159 0.000 1.688 235 H HN 0.332 nan 8.280 nan 0.000 0.546 236 P HA -0.067 nan 4.420 nan 0.000 0.261 236 P C 0.045 176.891 177.300 -0.756 0.000 1.297 236 P CA 0.682 62.801 63.100 -1.635 0.000 0.757 236 P CB 0.277 31.448 31.700 -0.882 0.000 1.149 237 D N 0.663 120.811 120.400 -0.420 0.000 2.259 237 D HA -0.051 4.589 4.640 -0.000 0.000 0.216 237 D C 1.784 178.081 176.300 -0.006 0.000 0.961 237 D CA 0.845 54.760 54.000 -0.142 0.000 0.878 237 D CB -0.178 40.576 40.800 -0.076 0.000 1.009 237 D HN 0.319 nan 8.370 nan 0.000 0.490 238 K N 0.333 120.772 120.400 0.065 0.000 2.505 238 K HA -0.011 4.309 4.320 -0.000 0.000 0.192 238 K C 0.002 176.867 176.600 0.442 0.000 1.025 238 K CA -0.162 56.256 56.287 0.218 0.000 1.086 238 K CB -0.362 32.264 32.500 0.211 0.000 0.840 238 K HN 0.223 nan 8.250 nan 0.000 0.514 239 W N 4.020 125.360 121.300 0.066 0.000 1.929 239 W HA -0.027 4.633 4.660 -0.000 0.000 0.513 239 W C -0.177 176.370 176.519 0.046 0.000 0.800 239 W CA -0.325 57.059 57.345 0.065 0.000 2.023 239 W CB -0.210 29.278 29.460 0.046 0.000 1.670 239 W HN 0.191 nan 8.180 nan 0.000 0.257 240 T N -1.980 112.724 114.554 0.249 0.000 2.838 240 T HA 0.540 4.890 4.350 -0.000 0.000 0.292 240 T C 0.337 175.085 174.700 0.079 0.000 1.113 240 T CA -1.008 61.179 62.100 0.144 0.000 1.008 240 T CB 1.470 70.410 68.868 0.121 0.000 1.259 240 T HN 0.011 nan 8.240 nan 0.000 0.520 241 V N -0.472 119.482 119.914 0.067 0.000 3.751 241 V HA 0.415 4.535 4.120 -0.000 0.000 0.274 241 V C 1.251 177.363 176.094 0.029 0.000 0.960 241 V CA 0.249 62.577 62.300 0.048 0.000 0.960 241 V CB -0.277 31.586 31.823 0.065 0.000 1.244 241 V HN 1.257 nan 8.190 nan 0.000 0.417 242 Q N -1.576 118.243 119.800 0.031 0.000 2.332 242 Q HA -0.162 4.178 4.340 -0.000 0.000 0.222 242 Q C -1.674 174.311 176.000 -0.026 0.000 0.758 242 Q CA 1.070 56.881 55.803 0.013 0.000 1.355 242 Q CB -1.927 26.824 28.738 0.022 0.000 1.705 242 Q HN 0.862 nan 8.270 nan 0.000 0.638 243 P HA 0.126 nan 4.420 nan 0.000 0.225 243 P C -0.473 176.754 177.300 -0.123 0.000 1.768 243 P CA 0.127 63.188 63.100 -0.065 0.000 0.943 243 P CB -0.369 31.299 31.700 -0.054 0.000 1.936 244 I N -1.523 118.943 120.570 -0.173 0.000 2.317 244 I HA 0.194 4.364 4.170 -0.000 0.000 0.286 244 I C 0.052 176.019 176.117 -0.251 0.000 1.119 244 I CA -0.865 60.234 61.300 -0.336 0.000 1.228 244 I CB 0.469 38.124 38.000 -0.575 0.000 1.476 244 I HN -0.197 nan 8.210 nan 0.000 0.514 245 V N 7.595 127.406 119.914 -0.171 0.000 2.399 245 V HA 0.069 4.189 4.120 -0.000 0.000 0.245 245 V C 0.560 176.615 176.094 -0.064 0.000 1.089 245 V CA -0.015 62.230 62.300 -0.091 0.000 1.196 245 V CB -0.347 31.443 31.823 -0.055 0.000 1.221 245 V HN 0.571 nan 8.190 nan 0.000 0.482 246 L N 8.835 130.036 121.223 -0.038 0.000 2.410 246 L HA 0.307 4.647 4.340 -0.000 0.000 0.273 246 L C -1.608 175.318 176.870 0.092 0.000 1.144 246 L CA -1.496 53.357 54.840 0.022 0.000 0.863 246 L CB 0.441 42.532 42.059 0.053 0.000 1.140 246 L HN 0.453 nan 8.230 nan 0.000 0.463 247 P HA 0.008 nan 4.420 nan 0.000 0.270 247 P C -0.082 177.514 177.300 0.493 0.000 1.221 247 P CA 0.139 63.413 63.100 0.288 0.000 0.788 247 P CB 0.830 32.635 31.700 0.174 0.000 0.904 248 E N -0.290 120.167 120.200 0.427 0.000 2.717 248 E HA 0.045 4.395 4.350 -0.000 0.000 0.204 248 E C -0.312 176.132 176.600 -0.261 0.000 0.911 248 E CA -0.228 56.264 56.400 0.154 0.000 1.370 248 E CB 0.036 29.767 29.700 0.051 0.000 1.315 248 E HN 0.363 nan 8.360 nan 0.000 0.643 249 K N 3.171 123.428 120.400 -0.238 0.000 2.296 249 K HA -0.137 4.183 4.320 -0.000 0.000 0.247 249 K C -0.702 175.337 176.600 -0.935 0.000 1.301 249 K CA 0.281 56.310 56.287 -0.430 0.000 1.281 249 K CB -0.268 32.123 32.500 -0.182 0.000 0.738 249 K HN 0.148 nan 8.250 nan 0.000 0.524 250 D N 2.973 123.011 120.400 -0.603 0.000 2.619 250 D HA -0.046 4.594 4.640 -0.000 0.000 0.238 250 D C -0.235 175.790 176.300 -0.458 0.000 1.158 250 D CA 0.763 54.418 54.000 -0.575 0.000 1.251 250 D CB -0.190 40.426 40.800 -0.307 0.000 1.134 250 D HN 0.545 nan 8.370 nan 0.000 0.487 251 S N 0.719 116.062 115.700 -0.596 0.000 2.891 251 S HA 0.097 4.567 4.470 -0.000 0.000 0.141 251 S C -0.655 173.989 174.600 0.073 0.000 0.993 251 S CA -0.984 57.094 58.200 -0.204 0.000 1.051 251 S CB -0.975 62.162 63.200 -0.106 0.000 1.657 251 S HN 0.269 nan 8.310 nan 0.000 0.482 252 W N 2.568 123.873 121.300 0.008 0.000 2.365 252 W HA 0.560 5.220 4.660 -0.000 0.000 0.316 252 W C 1.023 177.548 176.519 0.010 0.000 1.164 252 W CA -0.622 56.729 57.345 0.010 0.000 1.204 252 W CB 1.823 31.291 29.460 0.013 0.000 1.213 252 W HN 0.586 nan 8.180 nan 0.000 0.539 253 T N -2.005 112.714 114.554 0.275 0.000 2.889 253 T HA 0.234 4.584 4.350 -0.000 0.000 0.278 253 T C 0.693 175.433 174.700 0.066 0.000 0.995 253 T CA -0.789 61.391 62.100 0.133 0.000 0.966 253 T CB 1.079 70.004 68.868 0.095 0.000 1.237 253 T HN 0.192 nan 8.240 nan 0.000 0.591 254 V N 1.414 121.353 119.914 0.042 0.000 2.490 254 V HA -0.125 3.995 4.120 -0.000 0.000 0.250 254 V C 2.808 178.896 176.094 -0.009 0.000 1.061 254 V CA 1.907 64.218 62.300 0.018 0.000 1.064 254 V CB -1.058 30.776 31.823 0.018 0.000 0.670 254 V HN 0.884 nan 8.190 nan 0.000 0.461 255 N N 0.186 118.877 118.700 -0.014 0.000 2.173 255 N HA -0.146 4.593 4.740 -0.000 0.000 0.184 255 N C 1.584 177.037 175.510 -0.095 0.000 1.025 255 N CA 1.477 54.504 53.050 -0.038 0.000 0.852 255 N CB -0.129 38.344 38.487 -0.023 0.000 0.998 255 N HN 0.453 nan 8.380 nan 0.000 0.427 256 D N 0.811 121.133 120.400 -0.129 0.000 2.123 256 D HA -0.165 4.475 4.640 -0.000 0.000 0.196 256 D C 1.933 177.988 176.300 -0.407 0.000 0.992 256 D CA 0.783 54.582 54.000 -0.335 0.000 0.833 256 D CB -0.080 40.475 40.800 -0.408 0.000 0.954 256 D HN 0.332 nan 8.370 nan 0.000 0.455 257 I N 1.115 121.541 120.570 -0.240 0.000 2.252 257 I HA -0.229 3.941 4.170 -0.000 0.000 0.245 257 I C 2.208 178.257 176.117 -0.113 0.000 1.102 257 I CA 1.323 62.522 61.300 -0.168 0.000 1.385 257 I CB -0.340 37.636 38.000 -0.040 0.000 1.064 257 I HN -0.071 nan 8.210 nan 0.000 0.414 258 Q N 0.575 120.326 119.800 -0.081 0.000 1.998 258 Q HA -0.323 4.017 4.340 -0.000 0.000 0.209 258 Q C 2.322 178.290 176.000 -0.055 0.000 1.002 258 Q CA 2.655 58.428 55.803 -0.050 0.000 0.858 258 Q CB -0.308 28.407 28.738 -0.038 0.000 0.932 258 Q HN 0.496 nan 8.270 nan 0.000 0.416 259 K N 0.235 120.587 120.400 -0.080 0.000 2.089 259 K HA -0.224 4.096 4.320 -0.000 0.000 0.210 259 K C 2.040 178.613 176.600 -0.046 0.000 1.048 259 K CA 1.366 57.614 56.287 -0.064 0.000 0.926 259 K CB -0.344 32.100 32.500 -0.093 0.000 0.714 259 K HN 0.099 nan 8.250 nan 0.000 0.448 260 L N 0.742 121.907 121.223 -0.097 0.000 1.970 260 L HA -0.184 4.156 4.340 -0.000 0.000 0.212 260 L C 1.936 178.817 176.870 0.017 0.000 1.071 260 L CA 1.603 56.412 54.840 -0.051 0.000 0.751 260 L CB -0.587 41.395 42.059 -0.129 0.000 0.889 260 L HN -0.054 nan 8.230 nan 0.000 0.432 261 V N 0.562 120.475 119.914 -0.002 0.000 2.527 261 V HA -0.307 3.813 4.120 -0.000 0.000 0.255 261 V C 2.469 178.585 176.094 0.037 0.000 1.081 261 V CA 1.827 64.139 62.300 0.020 0.000 1.092 261 V CB -1.724 30.104 31.823 0.008 0.000 0.673 261 V HN 0.714 nan 8.190 nan 0.000 0.470 262 G N -0.255 108.568 108.800 0.038 0.000 2.456 262 G HA2 -0.151 3.809 3.960 -0.000 0.000 0.213 262 G HA3 -0.151 3.809 3.960 -0.000 0.000 0.213 262 G C 1.541 176.498 174.900 0.095 0.000 1.215 262 G CA 0.516 45.650 45.100 0.057 0.000 0.805 262 G HN 0.475 nan 8.290 nan 0.000 0.537 263 K N 0.243 120.722 120.400 0.132 0.000 2.160 263 K HA -0.026 4.294 4.320 -0.000 0.000 0.206 263 K C 2.428 179.119 176.600 0.152 0.000 1.047 263 K CA 0.885 57.310 56.287 0.231 0.000 0.930 263 K CB -0.298 32.490 32.500 0.480 0.000 0.720 263 K HN 0.273 nan 8.250 nan 0.000 0.450 264 L N 0.869 122.208 121.223 0.193 0.000 2.072 264 L HA -0.117 4.222 4.340 -0.000 0.000 0.205 264 L C 2.261 179.153 176.870 0.037 0.000 1.079 264 L CA 0.821 55.756 54.840 0.157 0.000 0.752 264 L CB -0.466 41.671 42.059 0.131 0.000 0.906 264 L HN 0.243 nan 8.230 nan 0.000 0.436 265 N N -0.789 117.930 118.700 0.032 0.000 2.550 265 N HA -0.185 4.555 4.740 -0.000 0.000 0.186 265 N C 1.555 177.036 175.510 -0.048 0.000 1.110 265 N CA 0.575 53.622 53.050 -0.005 0.000 0.912 265 N CB 0.114 38.609 38.487 0.014 0.000 0.968 265 N HN 0.385 nan 8.380 nan 0.000 0.448 266 W N 1.598 122.744 121.300 -0.258 0.000 2.463 266 W HA 0.191 4.850 4.660 -0.000 0.000 0.316 266 W C 1.980 178.260 176.519 -0.398 0.000 1.170 266 W CA 1.524 58.654 57.345 -0.359 0.000 1.355 266 W CB -0.784 28.335 29.460 -0.568 0.000 1.159 266 W HN 0.004 nan 8.180 nan 0.000 0.487 267 A N 0.632 123.105 122.820 -0.579 0.000 2.265 267 A HA -0.090 4.230 4.320 -0.000 0.000 0.203 267 A C 1.761 179.229 177.584 -0.194 0.000 1.285 267 A CA 1.579 53.348 52.037 -0.448 0.000 0.839 267 A CB -1.514 17.465 19.000 -0.035 0.000 0.758 267 A HN 0.381 nan 8.150 nan 0.000 0.502 268 S N -1.530 114.009 115.700 -0.268 0.000 2.515 268 S HA -0.107 4.363 4.470 -0.000 0.000 0.231 268 S C 1.666 176.147 174.600 -0.198 0.000 0.987 268 S CA 1.038 59.143 58.200 -0.158 0.000 0.936 268 S CB -0.017 63.091 63.200 -0.153 0.000 0.766 268 S HN 0.634 nan 8.310 nan 0.000 0.528 269 Q N 1.460 121.061 119.800 -0.331 0.000 2.287 269 Q HA 0.343 4.683 4.340 -0.000 0.000 0.201 269 Q C 1.762 177.651 176.000 -0.185 0.000 0.946 269 Q CA 0.944 56.512 55.803 -0.392 0.000 0.868 269 Q CB -0.401 27.797 28.738 -0.901 0.000 0.967 269 Q HN 0.602 nan 8.270 nan 0.000 0.516 270 I N -0.232 120.292 120.570 -0.075 0.000 2.830 270 I HA -0.090 4.080 4.170 -0.000 0.000 0.263 270 I C -0.244 175.716 176.117 -0.261 0.000 1.230 270 I CA 0.628 61.877 61.300 -0.086 0.000 1.480 270 I CB 0.222 38.160 38.000 -0.103 0.000 1.095 270 I HN 0.122 nan 8.210 nan 0.000 0.455 271 Y N 0.558 120.851 120.300 -0.012 0.000 2.359 271 Y HA 0.250 4.800 4.550 -0.000 0.000 0.336 271 Y C -2.006 173.876 175.900 -0.030 0.000 1.098 271 Y CA -2.524 55.585 58.100 0.015 0.000 1.272 271 Y CB 0.981 39.479 38.460 0.064 0.000 1.112 271 Y HN -0.125 nan 8.280 nan 0.000 0.481 272 P HA 0.069 nan 4.420 nan 0.000 0.249 272 P C 0.928 178.257 177.300 0.050 0.000 1.229 272 P CA 0.641 63.763 63.100 0.036 0.000 0.788 272 P CB 0.505 32.207 31.700 0.004 0.000 1.072 273 G N 0.199 109.053 108.800 0.091 0.000 3.678 273 G HA2 0.392 4.352 3.960 -0.000 0.000 0.287 273 G HA3 0.392 4.352 3.960 -0.000 0.000 0.287 273 G C -0.218 174.697 174.900 0.024 0.000 1.280 273 G CA 0.000 45.133 45.100 0.054 0.000 1.118 273 G HN 0.100 nan 8.290 nan 0.000 0.563 274 I N 0.369 120.954 120.570 0.025 0.000 2.468 274 I HA 0.331 4.501 4.170 -0.000 0.000 0.285 274 I C -0.013 176.112 176.117 0.013 0.000 1.039 274 I CA -0.730 60.579 61.300 0.014 0.000 1.074 274 I CB 2.062 40.078 38.000 0.026 0.000 1.228 274 I HN -0.063 nan 8.210 nan 0.000 0.436 275 K N 3.585 123.993 120.400 0.012 0.000 2.148 275 K HA 0.769 5.089 4.320 -0.000 0.000 0.239 275 K C 0.007 176.618 176.600 0.018 0.000 1.018 275 K CA -0.685 55.608 56.287 0.011 0.000 0.923 275 K CB 1.958 34.465 32.500 0.011 0.000 1.117 275 K HN 0.338 nan 8.250 nan 0.000 0.477 276 V N 0.206 120.130 119.914 0.016 0.000 3.331 276 V HA -0.105 4.015 4.120 -0.000 0.000 0.259 276 V C 1.456 177.560 176.094 0.018 0.000 1.735 276 V CA -0.147 62.166 62.300 0.021 0.000 1.032 276 V CB 0.189 32.025 31.823 0.022 0.000 0.892 276 V HN 0.678 nan 8.190 nan 0.000 0.384 277 R N 1.233 121.741 120.500 0.012 0.000 2.159 277 R HA -0.325 4.015 4.340 -0.000 0.000 0.249 277 R C 1.913 178.221 176.300 0.015 0.000 1.136 277 R CA 2.455 58.561 56.100 0.011 0.000 0.951 277 R CB -1.010 29.295 30.300 0.008 0.000 0.876 277 R HN 0.569 nan 8.270 nan 0.000 0.440 278 Q N 0.555 120.365 119.800 0.017 0.000 2.226 278 Q HA -0.067 4.273 4.340 -0.000 0.000 0.204 278 Q C 1.823 177.838 176.000 0.025 0.000 0.975 278 Q CA 1.082 56.898 55.803 0.020 0.000 0.866 278 Q CB -0.066 28.684 28.738 0.021 0.000 0.915 278 Q HN 0.301 nan 8.270 nan 0.000 0.440 279 L N -0.677 120.563 121.223 0.028 0.000 2.354 279 L HA 0.101 4.441 4.340 -0.000 0.000 0.212 279 L C 2.000 178.886 176.870 0.026 0.000 1.091 279 L CA 1.512 56.373 54.840 0.034 0.000 0.828 279 L CB -0.407 41.676 42.059 0.040 0.000 0.973 279 L HN 0.346 nan 8.230 nan 0.000 0.461 280 S N -1.746 113.966 115.700 0.020 0.000 2.489 280 S HA -0.116 4.354 4.470 -0.000 0.000 0.228 280 S C 1.838 176.447 174.600 0.015 0.000 0.995 280 S CA 0.499 58.708 58.200 0.015 0.000 0.934 280 S CB -0.358 62.849 63.200 0.013 0.000 0.771 280 S HN 0.413 nan 8.310 nan 0.000 0.522 281 K N 0.319 120.730 120.400 0.017 0.000 2.288 281 K HA 0.177 4.497 4.320 -0.000 0.000 0.201 281 K C 1.725 178.336 176.600 0.019 0.000 1.048 281 K CA 0.521 56.818 56.287 0.016 0.000 0.956 281 K CB -0.270 32.239 32.500 0.016 0.000 0.746 281 K HN 0.243 nan 8.250 nan 0.000 0.461 282 L N 0.999 122.236 121.223 0.023 0.000 2.201 282 L HA -0.067 4.273 4.340 -0.000 0.000 0.212 282 L C 1.527 178.412 176.870 0.024 0.000 1.105 282 L CA 1.530 56.387 54.840 0.028 0.000 0.775 282 L CB -0.101 41.980 42.059 0.038 0.000 0.913 282 L HN 0.119 nan 8.230 nan 0.000 0.440 283 L N -2.028 119.206 121.223 0.019 0.000 2.354 283 L HA 0.045 4.385 4.340 -0.000 0.000 0.212 283 L C 2.363 179.241 176.870 0.013 0.000 1.091 283 L CA -0.124 54.724 54.840 0.014 0.000 0.828 283 L CB -0.508 41.557 42.059 0.010 0.000 0.973 283 L HN 0.052 nan 8.230 nan 0.000 0.461 284 R N 1.006 121.514 120.500 0.013 0.000 2.312 284 R HA -0.175 4.165 4.340 -0.000 0.000 0.270 284 R C 0.914 177.221 176.300 0.011 0.000 1.165 284 R CA 1.285 57.392 56.100 0.011 0.000 1.006 284 R CB -1.104 29.203 30.300 0.012 0.000 0.893 284 R HN 0.390 nan 8.270 nan 0.000 0.479 285 G N -0.946 107.861 108.800 0.012 0.000 2.425 285 G HA2 0.229 4.189 3.960 -0.000 0.000 0.302 285 G HA3 0.229 4.189 3.960 -0.000 0.000 0.302 285 G C -0.187 174.720 174.900 0.011 0.000 1.159 285 G CA -0.156 44.951 45.100 0.012 0.000 0.865 285 G HN 0.219 nan 8.290 nan 0.000 0.515 286 T N -0.711 113.849 114.554 0.010 0.000 4.058 286 T HA 0.355 4.705 4.350 -0.000 0.000 0.252 286 T C 0.330 175.037 174.700 0.010 0.000 1.264 286 T CA -0.514 61.592 62.100 0.009 0.000 1.094 286 T CB -0.394 68.479 68.868 0.008 0.000 1.316 286 T HN 0.310 nan 8.240 nan 0.000 0.872 287 K N 1.432 121.839 120.400 0.012 0.000 2.098 287 K HA 0.690 5.010 4.320 -0.000 0.000 0.257 287 K C 0.739 177.347 176.600 0.013 0.000 0.999 287 K CA -0.594 55.701 56.287 0.013 0.000 0.924 287 K CB 0.524 33.035 32.500 0.017 0.000 1.028 287 K HN 0.474 nan 8.250 nan 0.000 0.466 288 A N 1.542 124.371 122.820 0.014 0.000 2.475 288 A HA 0.021 4.341 4.320 -0.000 0.000 0.239 288 A C 0.873 178.465 177.584 0.014 0.000 1.087 288 A CA 0.103 52.147 52.037 0.013 0.000 0.779 288 A CB -0.180 18.828 19.000 0.014 0.000 1.036 288 A HN 0.777 nan 8.150 nan 0.000 0.506 289 L N 0.230 121.460 121.223 0.011 0.000 2.341 289 L HA -0.032 4.308 4.340 -0.000 0.000 0.214 289 L C 1.722 178.601 176.870 0.015 0.000 1.115 289 L CA 1.553 56.398 54.840 0.010 0.000 0.820 289 L CB -0.415 41.646 42.059 0.004 0.000 0.944 289 L HN 0.928 nan 8.230 nan 0.000 0.452 290 T N -3.555 111.011 114.554 0.020 0.000 3.258 290 T HA 0.169 4.519 4.350 -0.000 0.000 0.263 290 T C 0.166 174.885 174.700 0.033 0.000 0.983 290 T CA -0.358 61.759 62.100 0.027 0.000 0.907 290 T CB 0.099 68.982 68.868 0.024 0.000 1.096 290 T HN 0.190 nan 8.240 nan 0.000 0.556 291 E N 0.969 121.189 120.200 0.033 0.000 2.222 291 E HA 0.524 4.874 4.350 -0.000 0.000 0.272 291 E C -0.951 175.679 176.600 0.051 0.000 0.982 291 E CA -0.821 55.601 56.400 0.036 0.000 0.842 291 E CB 1.661 31.378 29.700 0.029 0.000 1.144 291 E HN 0.076 nan 8.360 nan 0.000 0.397 292 V N 4.494 124.441 119.914 0.054 0.000 2.644 292 V HA 0.376 4.496 4.120 -0.000 0.000 0.295 292 V C 0.372 176.505 176.094 0.065 0.000 1.053 292 V CA -0.375 61.969 62.300 0.074 0.000 0.987 292 V CB 1.358 33.222 31.823 0.069 0.000 1.006 292 V HN 0.675 nan 8.190 nan 0.000 0.472 293 I N 4.434 125.054 120.570 0.084 0.000 3.133 293 I HA 0.676 4.846 4.170 -0.000 0.000 0.311 293 I C -2.383 173.778 176.117 0.072 0.000 1.072 293 I CA -2.225 59.117 61.300 0.070 0.000 1.015 293 I CB 3.129 41.171 38.000 0.071 0.000 1.233 293 I HN 0.573 nan 8.210 nan 0.000 0.473 294 P HA 0.348 nan 4.420 nan 0.000 0.305 294 P C -1.490 175.843 177.300 0.055 0.000 1.390 294 P CA -0.724 62.406 63.100 0.050 0.000 1.054 294 P CB 1.440 33.160 31.700 0.034 0.000 1.335 295 L N 0.062 121.317 121.223 0.053 0.000 2.534 295 L HA 0.370 4.710 4.340 -0.000 0.000 0.271 295 L C -0.382 176.512 176.870 0.039 0.000 1.178 295 L CA 0.273 55.145 54.840 0.054 0.000 0.907 295 L CB -0.334 41.750 42.059 0.042 0.000 1.164 295 L HN 0.213 nan 8.230 nan 0.000 0.482 296 T N 2.316 116.894 114.554 0.040 0.000 2.902 296 T HA 0.156 4.506 4.350 -0.000 0.000 0.287 296 T C 0.964 175.680 174.700 0.026 0.000 1.048 296 T CA 0.149 62.267 62.100 0.030 0.000 0.941 296 T CB 1.175 70.061 68.868 0.029 0.000 1.432 296 T HN 0.874 nan 8.240 nan 0.000 0.586 297 E N 1.240 121.452 120.200 0.022 0.000 1.964 297 E HA -0.231 4.119 4.350 -0.000 0.000 0.209 297 E C 1.529 178.141 176.600 0.019 0.000 0.988 297 E CA 1.492 57.903 56.400 0.018 0.000 0.875 297 E CB -0.342 29.367 29.700 0.015 0.000 0.813 297 E HN 0.657 nan 8.360 nan 0.000 0.533 298 E N 0.507 120.718 120.200 0.019 0.000 2.274 298 E HA -0.069 4.281 4.350 -0.000 0.000 0.194 298 E C 1.987 178.602 176.600 0.024 0.000 0.996 298 E CA 0.529 56.940 56.400 0.019 0.000 0.840 298 E CB -0.047 29.663 29.700 0.017 0.000 0.772 298 E HN 0.477 nan 8.360 nan 0.000 0.491 299 A N 1.759 124.596 122.820 0.028 0.000 1.851 299 A HA -0.277 4.042 4.320 -0.000 0.000 0.216 299 A C 2.133 179.744 177.584 0.044 0.000 1.195 299 A CA 1.798 53.858 52.037 0.037 0.000 0.622 299 A CB -0.524 18.500 19.000 0.041 0.000 0.831 299 A HN 0.136 nan 8.150 nan 0.000 0.444 300 E N -0.423 119.802 120.200 0.042 0.000 2.147 300 E HA -0.203 4.147 4.350 -0.000 0.000 0.199 300 E C 1.724 178.346 176.600 0.036 0.000 1.005 300 E CA 1.553 57.979 56.400 0.043 0.000 0.810 300 E CB -0.411 29.307 29.700 0.031 0.000 0.736 300 E HN 0.458 nan 8.360 nan 0.000 0.460 301 L N 0.566 121.806 121.223 0.029 0.000 2.068 301 L HA -0.000 4.340 4.340 -0.000 0.000 0.204 301 L C 1.968 178.854 176.870 0.026 0.000 1.076 301 L CA 1.672 56.526 54.840 0.023 0.000 0.753 301 L CB -0.536 41.534 42.059 0.018 0.000 0.910 301 L HN -0.002 nan 8.230 nan 0.000 0.439 302 E N -0.208 120.010 120.200 0.029 0.000 2.219 302 E HA -0.246 4.103 4.350 -0.000 0.000 0.198 302 E C 2.109 178.732 176.600 0.039 0.000 0.998 302 E CA 1.405 57.822 56.400 0.030 0.000 0.818 302 E CB -0.359 29.360 29.700 0.031 0.000 0.741 302 E HN 0.433 nan 8.360 nan 0.000 0.477 303 L N 0.081 121.335 121.223 0.051 0.000 2.156 303 L HA 0.019 4.359 4.340 -0.000 0.000 0.208 303 L C 1.998 178.899 176.870 0.052 0.000 1.095 303 L CA 1.659 56.540 54.840 0.068 0.000 0.770 303 L CB -0.445 41.672 42.059 0.097 0.000 0.914 303 L HN -0.018 nan 8.230 nan 0.000 0.439 304 A N 0.430 123.273 122.820 0.037 0.000 1.826 304 A HA -0.173 4.147 4.320 -0.000 0.000 0.214 304 A C 2.066 179.658 177.584 0.013 0.000 1.212 304 A CA 1.343 53.394 52.037 0.024 0.000 0.605 304 A CB -0.830 18.181 19.000 0.018 0.000 0.861 304 A HN 0.633 nan 8.150 nan 0.000 0.447 305 E N 0.106 120.312 120.200 0.010 0.000 2.204 305 E HA -0.187 4.163 4.350 -0.000 0.000 0.195 305 E C 1.203 177.796 176.600 -0.012 0.000 0.990 305 E CA 1.428 57.828 56.400 -0.001 0.000 0.821 305 E CB -0.497 29.205 29.700 0.003 0.000 0.750 305 E HN 0.732 nan 8.360 nan 0.000 0.477 306 N N 0.322 119.023 118.700 0.001 0.000 2.336 306 N HA 0.046 4.786 4.740 -0.000 0.000 0.189 306 N C 1.391 176.899 175.510 -0.004 0.000 1.113 306 N CA -0.126 52.921 53.050 -0.005 0.000 0.858 306 N CB 0.225 38.726 38.487 0.022 0.000 0.970 306 N HN 0.050 nan 8.380 nan 0.000 0.471 307 R N 0.802 121.301 120.500 -0.001 0.000 2.437 307 R HA 0.030 4.370 4.340 -0.000 0.000 0.257 307 R C 1.459 177.744 176.300 -0.025 0.000 0.927 307 R CA 0.238 56.339 56.100 0.001 0.000 1.078 307 R CB 0.443 30.758 30.300 0.025 0.000 1.161 307 R HN 0.266 nan 8.270 nan 0.000 0.529 308 E N -0.014 120.164 120.200 -0.036 0.000 2.099 308 E HA -0.020 4.330 4.350 -0.000 0.000 0.191 308 E C 1.374 177.928 176.600 -0.076 0.000 0.962 308 E CA 0.305 56.681 56.400 -0.039 0.000 0.826 308 E CB -0.012 29.675 29.700 -0.022 0.000 0.788 308 E HN 0.104 nan 8.360 nan 0.000 0.461 309 I N 1.004 121.500 120.570 -0.123 0.000 3.083 309 I HA -0.046 4.124 4.170 -0.000 0.000 0.273 309 I C 1.259 177.135 176.117 -0.402 0.000 1.297 309 I CA 0.635 61.809 61.300 -0.210 0.000 1.452 309 I CB -0.450 37.414 38.000 -0.226 0.000 1.078 309 I HN 0.269 nan 8.210 nan 0.000 0.484 310 L N 0.467 121.524 121.223 -0.278 0.000 2.805 310 L HA 0.062 4.402 4.340 -0.000 0.000 0.237 310 L C 1.489 178.322 176.870 -0.062 0.000 1.252 310 L CA 0.642 55.349 54.840 -0.221 0.000 1.064 310 L CB -0.459 41.540 42.059 -0.099 0.000 1.361 310 L HN -0.046 nan 8.230 nan 0.000 0.474 311 K N -0.994 119.384 120.400 -0.037 0.000 2.603 311 K HA 0.268 4.588 4.320 -0.000 0.000 0.205 311 K C 0.032 176.663 176.600 0.052 0.000 1.500 311 K CA 0.060 56.357 56.287 0.016 0.000 1.059 311 K CB 0.808 33.309 32.500 0.001 0.000 1.416 311 K HN 0.203 nan 8.250 nan 0.000 0.562 312 E N 3.384 123.613 120.200 0.048 0.000 1.996 312 E HA 0.194 4.544 4.350 -0.000 0.000 0.280 312 E C -2.510 174.207 176.600 0.195 0.000 1.092 312 E CA -1.891 54.557 56.400 0.080 0.000 0.862 312 E CB 0.755 30.484 29.700 0.048 0.000 1.066 312 E HN -0.076 nan 8.360 nan 0.000 0.396 313 P HA -0.143 nan 4.420 nan 0.000 0.264 313 P C -0.455 176.960 177.300 0.192 0.000 1.173 313 P CA -0.013 63.207 63.100 0.199 0.000 0.761 313 P CB 0.300 32.064 31.700 0.106 0.000 0.794 314 V N 1.644 121.620 119.914 0.102 0.000 2.539 314 V HA -0.020 4.100 4.120 -0.000 0.000 0.300 314 V C 0.263 176.424 176.094 0.113 0.000 1.019 314 V CA 0.134 62.446 62.300 0.021 0.000 1.160 314 V CB -0.497 31.201 31.823 -0.210 0.000 0.901 314 V HN 0.493 nan 8.190 nan 0.000 0.481 315 H N 3.802 122.893 119.070 0.035 0.000 2.481 315 H HA 0.598 5.154 4.556 -0.000 0.000 0.339 315 H C 1.219 176.559 175.328 0.021 0.000 1.131 315 H CA -0.065 55.993 56.048 0.016 0.000 1.301 315 H CB 1.653 31.468 29.762 0.088 0.000 1.476 315 H HN 1.186 nan 8.280 nan 0.000 0.529 316 G N 2.368 111.102 108.800 -0.109 0.000 2.229 316 G HA2 -0.266 3.694 3.960 -0.000 0.000 0.189 316 G HA3 -0.266 3.694 3.960 -0.000 0.000 0.189 316 G C 0.018 174.869 174.900 -0.081 0.000 1.000 316 G CA 0.062 45.202 45.100 0.066 0.000 0.663 316 G HN 0.717 nan 8.290 nan 0.000 0.493 317 V N -0.382 119.304 119.914 -0.379 0.000 2.313 317 V HA 0.748 4.867 4.120 -0.000 0.000 0.252 317 V C -0.327 175.447 176.094 -0.534 0.000 1.112 317 V CA -1.151 60.985 62.300 -0.273 0.000 0.984 317 V CB -0.970 30.795 31.823 -0.096 0.000 1.157 317 V HN 0.292 nan 8.190 nan 0.000 0.493 318 Y N 3.601 123.988 120.300 0.144 0.000 2.425 318 Y HA 0.510 5.059 4.550 -0.000 0.000 0.344 318 Y C -0.124 175.915 175.900 0.232 0.000 0.969 318 Y CA -1.390 56.817 58.100 0.177 0.000 1.052 318 Y CB 1.527 40.046 38.460 0.098 0.000 1.215 318 Y HN 0.637 nan 8.280 nan 0.000 0.451 319 Y N 3.251 123.739 120.300 0.313 0.000 2.717 319 Y HA 0.049 4.599 4.550 -0.000 0.000 0.330 319 Y C -0.024 175.973 175.900 0.161 0.000 1.217 319 Y CA -0.209 58.047 58.100 0.260 0.000 1.506 319 Y CB 0.394 39.119 38.460 0.442 0.000 1.268 319 Y HN 0.588 nan 8.280 nan 0.000 0.561 320 D N 8.679 128.805 120.400 -0.458 0.000 2.477 320 D HA 0.289 4.929 4.640 -0.000 0.000 0.239 320 D C -2.197 173.586 176.300 -0.862 0.000 1.102 320 D CA -2.434 51.274 54.000 -0.486 0.000 0.901 320 D CB 1.411 42.083 40.800 -0.213 0.000 1.026 320 D HN 0.343 nan 8.370 nan 0.000 0.515 321 P HA -0.157 nan 4.420 nan 0.000 0.224 321 P C 1.362 178.488 177.300 -0.291 0.000 1.142 321 P CA 0.861 63.581 63.100 -0.633 0.000 0.778 321 P CB 0.336 31.870 31.700 -0.277 0.000 0.764 322 S N -1.079 114.472 115.700 -0.248 0.000 2.335 322 S HA -0.065 4.404 4.470 -0.000 0.000 0.217 322 S C 1.029 175.551 174.600 -0.131 0.000 1.032 322 S CA 0.673 58.787 58.200 -0.144 0.000 0.985 322 S CB -0.558 62.573 63.200 -0.115 0.000 0.896 322 S HN 0.035 nan 8.310 nan 0.000 0.445 323 K N 1.287 121.595 120.400 -0.154 0.000 2.136 323 K HA 0.288 4.608 4.320 -0.000 0.000 0.237 323 K C -0.447 176.086 176.600 -0.111 0.000 1.048 323 K CA -0.446 55.769 56.287 -0.121 0.000 0.880 323 K CB 0.080 32.509 32.500 -0.118 0.000 1.105 323 K HN 0.311 nan 8.250 nan 0.000 0.507 324 D N 0.347 120.690 120.400 -0.096 0.000 2.388 324 D HA 0.267 4.907 4.640 -0.000 0.000 0.254 324 D C -0.474 175.758 176.300 -0.113 0.000 1.111 324 D CA -0.325 53.619 54.000 -0.094 0.000 0.993 324 D CB 0.859 41.603 40.800 -0.094 0.000 1.118 324 D HN 0.180 nan 8.370 nan 0.000 0.502 325 L N 1.930 123.055 121.223 -0.162 0.000 2.265 325 L HA 0.359 4.698 4.340 -0.000 0.000 0.289 325 L C -0.449 176.289 176.870 -0.221 0.000 1.033 325 L CA -0.620 54.071 54.840 -0.249 0.000 0.814 325 L CB 0.810 42.596 42.059 -0.455 0.000 1.203 325 L HN 0.142 nan 8.230 nan 0.000 0.423 326 I N 3.179 123.702 120.570 -0.079 0.000 2.498 326 I HA 0.650 4.820 4.170 -0.000 0.000 0.301 326 I C 0.139 176.207 176.117 -0.080 0.000 0.984 326 I CA -0.149 61.150 61.300 -0.000 0.000 1.204 326 I CB 1.925 40.140 38.000 0.358 0.000 1.362 326 I HN 0.556 nan 8.210 nan 0.000 0.471 327 A N 4.536 127.173 122.820 -0.305 0.000 2.446 327 A HA 0.651 4.971 4.320 -0.000 0.000 0.282 327 A C -0.893 176.552 177.584 -0.232 0.000 1.102 327 A CA -0.642 51.165 52.037 -0.382 0.000 0.737 327 A CB 0.528 19.142 19.000 -0.643 0.000 1.212 327 A HN 0.704 nan 8.150 nan 0.000 0.434 328 E N 2.086 122.135 120.200 -0.251 0.000 2.156 328 E HA 0.520 4.869 4.350 -0.000 0.000 0.279 328 E C -1.076 175.498 176.600 -0.043 0.000 0.965 328 E CA -0.456 55.870 56.400 -0.124 0.000 0.789 328 E CB 1.939 31.528 29.700 -0.184 0.000 1.098 328 E HN 0.576 nan 8.360 nan 0.000 0.397 329 I N 3.251 123.856 120.570 0.059 0.000 2.437 329 I HA 0.089 4.259 4.170 -0.000 0.000 0.298 329 I C -0.232 175.981 176.117 0.161 0.000 0.984 329 I CA -0.490 60.897 61.300 0.145 0.000 1.214 329 I CB 1.249 39.328 38.000 0.132 0.000 1.365 329 I HN 0.379 nan 8.210 nan 0.000 0.469 330 Q N 5.883 125.791 119.800 0.179 0.000 2.304 330 Q HA 0.373 4.713 4.340 -0.000 0.000 0.270 330 Q C -0.920 175.101 176.000 0.034 0.000 1.035 330 Q CA -1.057 54.810 55.803 0.108 0.000 0.781 330 Q CB 1.732 30.470 28.738 -0.001 0.000 1.261 330 Q HN 0.485 nan 8.270 nan 0.000 0.444 331 K N 1.683 121.994 120.400 -0.148 0.000 2.504 331 K HA -0.152 4.168 4.320 -0.000 0.000 0.278 331 K C 0.316 176.670 176.600 -0.411 0.000 1.025 331 K CA 0.556 56.426 56.287 -0.696 0.000 1.093 331 K CB 0.644 32.763 32.500 -0.634 0.000 0.873 331 K HN 0.575 nan 8.250 nan 0.000 0.483 332 Q N 2.221 121.747 119.800 -0.457 0.000 2.389 332 Q HA 0.278 4.618 4.340 -0.000 0.000 0.201 332 Q C 0.262 176.129 176.000 -0.221 0.000 0.956 332 Q CA 1.333 56.992 55.803 -0.241 0.000 0.871 332 Q CB 0.796 29.447 28.738 -0.146 0.000 0.990 332 Q HN 0.832 nan 8.270 nan 0.000 0.554 333 G N -0.740 107.905 108.800 -0.258 0.000 2.554 333 G HA2 0.379 4.339 3.960 -0.000 0.000 0.306 333 G HA3 0.379 4.339 3.960 -0.000 0.000 0.306 333 G C -1.619 173.170 174.900 -0.185 0.000 1.320 333 G CA -0.927 44.066 45.100 -0.178 0.000 0.800 333 G HN 0.006 nan 8.290 nan 0.000 0.481 334 Q N 0.166 119.900 119.800 -0.110 0.000 2.247 334 Q HA 0.397 4.737 4.340 -0.000 0.000 0.288 334 Q C 1.363 177.343 176.000 -0.034 0.000 1.079 334 Q CA 1.913 57.675 55.803 -0.069 0.000 0.932 334 Q CB 0.603 29.318 28.738 -0.038 0.000 1.133 334 Q HN 1.969 nan 8.270 nan 0.000 0.377 335 G N 2.197 111.009 108.800 0.020 0.000 2.396 335 G HA2 -0.342 3.618 3.960 -0.000 0.000 0.242 335 G HA3 -0.342 3.618 3.960 -0.000 0.000 0.242 335 G C 0.020 175.036 174.900 0.193 0.000 1.069 335 G CA 0.089 45.258 45.100 0.114 0.000 0.633 335 G HN 0.546 nan 8.290 nan 0.000 0.517 336 Q N -0.614 119.219 119.800 0.056 0.000 2.256 336 Q HA 0.525 4.865 4.340 -0.000 0.000 0.254 336 Q C -1.147 174.887 176.000 0.056 0.000 0.916 336 Q CA -0.477 55.397 55.803 0.117 0.000 0.932 336 Q CB 0.978 29.733 28.738 0.027 0.000 1.207 336 Q HN 0.411 nan 8.270 nan 0.000 0.426 337 W N 2.254 123.646 121.300 0.154 0.000 2.485 337 W HA 0.194 4.854 4.660 -0.000 0.000 0.297 337 W C 0.026 176.626 176.519 0.135 0.000 0.999 337 W CA -0.603 56.824 57.345 0.136 0.000 1.512 337 W CB 1.123 30.677 29.460 0.157 0.000 1.322 337 W HN 0.493 nan 8.180 nan 0.000 0.419 338 T N 0.027 114.701 114.554 0.200 0.000 2.856 338 T HA 0.514 4.864 4.350 -0.000 0.000 0.306 338 T C -0.494 174.286 174.700 0.133 0.000 1.062 338 T CA 0.190 62.329 62.100 0.065 0.000 1.083 338 T CB 1.055 69.898 68.868 -0.042 0.000 0.984 338 T HN 0.426 nan 8.240 nan 0.000 0.542 339 Y N -1.037 119.232 120.300 -0.053 0.000 2.705 339 Y HA 0.748 5.298 4.550 -0.000 0.000 0.332 339 Y C -1.399 174.374 175.900 -0.212 0.000 1.221 339 Y CA -1.603 56.427 58.100 -0.118 0.000 1.059 339 Y CB 1.285 39.724 38.460 -0.034 0.000 1.298 339 Y HN 0.663 nan 8.280 nan 0.000 0.459 340 Q N 0.963 120.803 119.800 0.066 0.000 2.435 340 Q HA 0.623 4.963 4.340 -0.000 0.000 0.282 340 Q C -1.629 174.320 176.000 -0.086 0.000 1.020 340 Q CA -0.619 55.133 55.803 -0.083 0.000 0.820 340 Q CB 3.252 31.766 28.738 -0.374 0.000 1.436 340 Q HN 0.736 nan 8.270 nan 0.000 0.395 341 I N 2.952 123.507 120.570 -0.026 0.000 2.782 341 I HA 0.263 4.433 4.170 -0.000 0.000 0.279 341 I C -1.089 175.048 176.117 0.034 0.000 1.247 341 I CA -0.859 60.404 61.300 -0.062 0.000 1.062 341 I CB 0.020 38.042 38.000 0.036 0.000 1.421 341 I HN 0.580 nan 8.210 nan 0.000 0.558 342 Y N 2.411 122.685 120.300 -0.044 0.000 2.480 342 Y HA 0.542 5.092 4.550 -0.000 0.000 0.323 342 Y C 0.677 176.535 175.900 -0.070 0.000 1.267 342 Y CA -1.723 56.367 58.100 -0.017 0.000 1.336 342 Y CB 0.488 38.959 38.460 0.018 0.000 1.361 342 Y HN 0.337 nan 8.280 nan 0.000 0.518 343 Q N -0.912 118.943 119.800 0.093 0.000 2.369 343 Q HA 0.227 4.567 4.340 -0.000 0.000 0.254 343 Q C -0.846 175.014 176.000 -0.233 0.000 0.858 343 Q CA 0.313 56.067 55.803 -0.082 0.000 0.961 343 Q CB 0.929 29.655 28.738 -0.020 0.000 1.119 343 Q HN 0.656 nan 8.270 nan 0.000 0.538 344 E N 1.529 121.591 120.200 -0.229 0.000 2.294 344 E HA 0.226 4.576 4.350 -0.000 0.000 0.272 344 E C -2.698 173.808 176.600 -0.157 0.000 0.896 344 E CA -2.017 54.252 56.400 -0.219 0.000 0.802 344 E CB 1.776 31.430 29.700 -0.078 0.000 1.267 344 E HN 0.033 nan 8.360 nan 0.000 0.406 345 P HA -0.178 nan 4.420 nan 0.000 0.262 345 P C -0.142 177.492 177.300 0.555 0.000 1.126 345 P CA 0.756 63.979 63.100 0.204 0.000 0.755 345 P CB 0.006 31.930 31.700 0.374 0.000 0.716 346 F N 0.172 120.253 119.950 0.218 0.000 2.884 346 F HA -0.197 4.330 4.527 -0.000 0.000 0.294 346 F C 0.789 176.621 175.800 0.053 0.000 0.723 346 F CA 1.029 59.088 58.000 0.099 0.000 1.294 346 F CB -1.946 37.017 39.000 -0.062 0.000 1.551 346 F HN 0.371 nan 8.300 nan 0.000 0.363 347 K N 0.996 121.541 120.400 0.242 0.000 2.954 347 K HA 0.269 4.589 4.320 -0.000 0.000 0.171 347 K C -0.197 176.519 176.600 0.193 0.000 1.079 347 K CA -0.329 56.048 56.287 0.150 0.000 0.908 347 K CB 0.458 33.025 32.500 0.112 0.000 1.142 347 K HN 0.083 nan 8.250 nan 0.000 0.613 348 N N 2.010 120.832 118.700 0.204 0.000 2.492 348 N HA 0.081 4.821 4.740 -0.000 0.000 0.262 348 N C 1.147 176.773 175.510 0.195 0.000 1.202 348 N CA 0.019 53.203 53.050 0.224 0.000 0.926 348 N CB 1.562 40.199 38.487 0.249 0.000 1.078 348 N HN 0.195 nan 8.380 nan 0.000 0.454 349 L N 0.357 121.719 121.223 0.231 0.000 2.168 349 L HA 0.128 4.468 4.340 -0.000 0.000 0.203 349 L C 0.901 177.941 176.870 0.284 0.000 1.078 349 L CA 1.037 56.059 54.840 0.303 0.000 0.780 349 L CB 0.025 42.377 42.059 0.489 0.000 0.939 349 L HN 0.446 nan 8.230 nan 0.000 0.451 350 K N -0.287 120.268 120.400 0.258 0.000 2.523 350 K HA 0.324 4.644 4.320 -0.000 0.000 0.257 350 K C -1.250 175.420 176.600 0.116 0.000 0.932 350 K CA -0.126 56.278 56.287 0.195 0.000 0.812 350 K CB 2.285 34.937 32.500 0.252 0.000 1.326 350 K HN -0.264 nan 8.250 nan 0.000 0.433 351 T N 1.956 116.512 114.554 0.002 0.000 3.734 351 T HA 0.269 4.619 4.350 -0.000 0.000 0.238 351 T C 0.320 174.812 174.700 -0.347 0.000 1.205 351 T CA -0.428 61.583 62.100 -0.149 0.000 1.606 351 T CB 0.740 69.622 68.868 0.025 0.000 0.832 351 T HN 0.686 nan 8.240 nan 0.000 0.655 352 G N 1.989 110.403 108.800 -0.643 0.000 2.608 352 G HA2 0.606 4.566 3.960 -0.000 0.000 0.212 352 G HA3 0.606 4.566 3.960 -0.000 0.000 0.212 352 G C -0.004 174.449 174.900 -0.745 0.000 1.572 352 G CA -0.082 44.661 45.100 -0.594 0.000 1.064 352 G HN 0.636 nan 8.290 nan 0.000 0.556 353 K N -3.569 116.588 120.400 -0.405 0.000 2.889 353 K HA 0.497 4.817 4.320 -0.000 0.000 0.290 353 K C -1.817 174.971 176.600 0.314 0.000 1.035 353 K CA -1.039 55.219 56.287 -0.047 0.000 0.776 353 K CB 1.260 33.743 32.500 -0.028 0.000 1.457 353 K HN 0.744 nan 8.250 nan 0.000 0.363 354 Y N -0.345 120.058 120.300 0.172 0.000 2.779 354 Y HA 0.659 5.209 4.550 -0.000 0.000 0.340 354 Y C -2.277 173.730 175.900 0.179 0.000 1.252 354 Y CA 0.055 58.258 58.100 0.170 0.000 1.072 354 Y CB 1.671 40.244 38.460 0.188 0.000 1.343 354 Y HN 1.155 nan 8.280 nan 0.000 0.450 355 A N 3.238 125.674 122.820 -0.641 0.000 2.608 355 A HA 0.912 5.232 4.320 -0.000 0.000 0.292 355 A C -1.840 175.353 177.584 -0.653 0.000 1.066 355 A CA -0.879 50.934 52.037 -0.374 0.000 0.676 355 A CB 2.069 20.981 19.000 -0.146 0.000 1.277 355 A HN 0.650 nan 8.150 nan 0.000 0.413 356 R N 0.072 120.446 120.500 -0.210 0.000 2.831 356 R HA 0.618 4.958 4.340 -0.000 0.000 0.266 356 R C -0.832 175.443 176.300 -0.042 0.000 1.051 356 R CA -0.892 55.128 56.100 -0.133 0.000 0.943 356 R CB 1.515 31.813 30.300 -0.004 0.000 1.228 356 R HN 0.868 nan 8.270 nan 0.000 0.467 357 M N 2.447 122.029 119.600 -0.029 0.000 2.250 357 M HA 0.219 4.699 4.480 -0.000 0.000 0.344 357 M C 1.849 178.156 176.300 0.012 0.000 1.150 357 M CA -0.114 55.179 55.300 -0.011 0.000 1.147 357 M CB 0.949 33.537 32.600 -0.019 0.000 1.498 357 M HN 0.485 nan 8.290 nan 0.000 0.461 358 R N 2.628 123.132 120.500 0.007 0.000 2.062 358 R HA 0.050 4.390 4.340 -0.000 0.000 0.213 358 R C 1.642 177.945 176.300 0.004 0.000 1.214 358 R CA 1.410 57.517 56.100 0.012 0.000 0.951 358 R CB -1.693 28.610 30.300 0.005 0.000 0.804 358 R HN 0.836 nan 8.270 nan 0.000 0.473 359 G N 1.757 110.553 108.800 -0.007 0.000 2.766 359 G HA2 -0.342 3.618 3.960 -0.000 0.000 0.222 359 G HA3 -0.342 3.618 3.960 -0.000 0.000 0.222 359 G C 0.672 175.547 174.900 -0.042 0.000 1.225 359 G CA 1.848 46.936 45.100 -0.020 0.000 0.784 359 G HN 0.811 nan 8.290 nan 0.000 0.631 360 A N -0.111 122.673 122.820 -0.060 0.000 2.489 360 A HA 0.428 4.748 4.320 -0.000 0.000 0.289 360 A C 0.628 178.178 177.584 -0.056 0.000 1.216 360 A CA 0.738 52.692 52.037 -0.139 0.000 0.883 360 A CB -1.063 17.865 19.000 -0.119 0.000 1.110 360 A HN 0.798 nan 8.150 nan 0.000 0.523 361 H N 0.484 119.556 119.070 0.003 0.000 2.884 361 H HA -0.173 4.383 4.556 -0.000 0.000 0.289 361 H C 0.907 176.227 175.328 -0.012 0.000 1.142 361 H CA 0.907 56.961 56.048 0.010 0.000 1.158 361 H CB -1.716 28.071 29.762 0.041 0.000 1.325 361 H HN 0.907 nan 8.280 nan 0.000 0.366 362 T N 0.449 115.054 114.554 0.084 0.000 2.571 362 T HA -0.025 4.325 4.350 -0.000 0.000 0.239 362 T C 0.216 174.943 174.700 0.044 0.000 1.092 362 T CA 0.626 62.759 62.100 0.055 0.000 1.546 362 T CB -0.283 68.605 68.868 0.035 0.000 1.090 362 T HN 0.485 nan 8.240 nan 0.000 0.510 363 N N 2.931 121.646 118.700 0.025 0.000 2.264 363 N HA 0.322 5.062 4.740 -0.000 0.000 0.288 363 N C 0.271 175.793 175.510 0.020 0.000 1.094 363 N CA -0.838 52.202 53.050 -0.015 0.000 0.817 363 N CB 1.953 40.375 38.487 -0.109 0.000 1.604 363 N HN 0.322 nan 8.380 nan 0.000 0.473 364 D N 1.168 121.630 120.400 0.103 0.000 2.087 364 D HA -0.072 4.568 4.640 -0.000 0.000 0.201 364 D C 1.234 177.547 176.300 0.023 0.000 0.980 364 D CA 1.315 55.494 54.000 0.298 0.000 0.849 364 D CB -0.160 40.872 40.800 0.386 0.000 1.001 364 D HN 0.341 nan 8.370 nan 0.000 0.452 365 V N 1.724 121.631 119.914 -0.012 0.000 3.362 365 V HA -0.179 3.941 4.120 -0.000 0.000 0.275 365 V C 2.061 177.960 176.094 -0.324 0.000 1.208 365 V CA 1.235 63.495 62.300 -0.067 0.000 1.195 365 V CB -0.807 31.015 31.823 -0.000 0.000 0.843 365 V HN 0.213 nan 8.190 nan 0.000 0.556 366 K N -0.149 119.916 120.400 -0.559 0.000 2.325 366 K HA 0.031 4.351 4.320 -0.000 0.000 0.203 366 K C 1.912 178.164 176.600 -0.580 0.000 1.128 366 K CA 0.474 56.100 56.287 -1.102 0.000 0.931 366 K CB 0.151 31.715 32.500 -1.560 0.000 1.125 366 K HN 0.448 nan 8.250 nan 0.000 0.487 367 Q N 1.207 120.764 119.800 -0.406 0.000 2.014 367 Q HA -0.197 4.143 4.340 -0.000 0.000 0.207 367 Q C 2.183 177.723 176.000 -0.767 0.000 0.993 367 Q CA 1.824 57.401 55.803 -0.377 0.000 0.850 367 Q CB -0.321 28.304 28.738 -0.188 0.000 0.916 367 Q HN 0.171 nan 8.270 nan 0.000 0.417 368 L N 0.827 121.469 121.223 -0.969 0.000 1.990 368 L HA -0.206 4.134 4.340 -0.000 0.000 0.213 368 L C 2.153 178.793 176.870 -0.384 0.000 1.072 368 L CA 2.184 56.511 54.840 -0.856 0.000 0.755 368 L CB -0.993 40.751 42.059 -0.526 0.000 0.889 368 L HN 0.183 nan 8.230 nan 0.000 0.432 369 T N -0.647 113.798 114.554 -0.181 0.000 2.946 369 T HA -0.144 4.206 4.350 -0.000 0.000 0.271 369 T C 1.593 176.177 174.700 -0.194 0.000 1.104 369 T CA 1.572 63.662 62.100 -0.017 0.000 1.114 369 T CB -0.173 68.672 68.868 -0.037 0.000 0.867 369 T HN 0.541 nan 8.240 nan 0.000 0.513 370 E N 0.762 120.752 120.200 -0.350 0.000 2.132 370 E HA 0.221 4.571 4.350 -0.000 0.000 0.193 370 E C 2.509 178.783 176.600 -0.544 0.000 0.951 370 E CA 0.473 56.657 56.400 -0.360 0.000 0.843 370 E CB -0.112 29.461 29.700 -0.212 0.000 0.807 370 E HN 0.382 nan 8.360 nan 0.000 0.467 371 A N 1.295 123.576 122.820 -0.898 0.000 2.186 371 A HA -0.105 4.215 4.320 -0.000 0.000 0.219 371 A C 2.217 179.459 177.584 -0.570 0.000 1.159 371 A CA 0.899 52.353 52.037 -0.971 0.000 0.680 371 A CB -0.354 18.030 19.000 -1.027 0.000 0.787 371 A HN 0.079 nan 8.150 nan 0.000 0.467 372 V N -0.617 119.013 119.914 -0.473 0.000 2.326 372 V HA -0.195 3.925 4.120 -0.000 0.000 0.237 372 V C 2.398 178.385 176.094 -0.177 0.000 1.044 372 V CA 1.635 63.639 62.300 -0.493 0.000 1.035 372 V CB -0.739 30.773 31.823 -0.520 0.000 0.675 372 V HN 0.641 nan 8.190 nan 0.000 0.470 373 Q N -0.065 119.635 119.800 -0.166 0.000 2.325 373 Q HA -0.277 4.063 4.340 -0.000 0.000 0.211 373 Q C 2.055 178.127 176.000 0.120 0.000 0.988 373 Q CA 1.520 57.316 55.803 -0.011 0.000 0.887 373 Q CB -0.224 28.241 28.738 -0.454 0.000 0.915 373 Q HN 0.585 nan 8.270 nan 0.000 0.440 374 K N 0.508 120.888 120.400 -0.033 0.000 2.054 374 K HA 0.019 4.339 4.320 -0.000 0.000 0.207 374 K C 2.101 178.687 176.600 -0.024 0.000 1.031 374 K CA 0.449 56.749 56.287 0.022 0.000 0.952 374 K CB -0.177 32.297 32.500 -0.043 0.000 0.775 374 K HN 0.054 nan 8.250 nan 0.000 0.447 375 I N 1.745 122.196 120.570 -0.198 0.000 2.182 375 I HA -0.399 3.771 4.170 -0.000 0.000 0.248 375 I C 2.281 178.409 176.117 0.017 0.000 1.073 375 I CA 1.513 62.660 61.300 -0.255 0.000 1.335 375 I CB -0.368 37.439 38.000 -0.322 0.000 1.031 375 I HN 0.314 nan 8.210 nan 0.000 0.420 376 T N -0.244 114.417 114.554 0.178 0.000 2.595 376 T HA -0.208 4.142 4.350 -0.000 0.000 0.264 376 T C 1.841 176.573 174.700 0.054 0.000 1.058 376 T CA 2.287 64.463 62.100 0.127 0.000 1.166 376 T CB -0.467 68.416 68.868 0.025 0.000 0.863 376 T HN 0.417 nan 8.240 nan 0.000 0.415 377 T N 2.375 117.035 114.554 0.176 0.000 2.737 377 T HA -0.134 4.216 4.350 -0.000 0.000 0.269 377 T C 1.859 176.703 174.700 0.240 0.000 1.040 377 T CA 1.235 63.488 62.100 0.255 0.000 1.142 377 T CB -0.392 68.718 68.868 0.403 0.000 0.861 377 T HN 0.523 nan 8.240 nan 0.000 0.456 378 E N 1.121 121.412 120.200 0.151 0.000 2.108 378 E HA -0.176 4.174 4.350 -0.000 0.000 0.203 378 E C 2.574 179.311 176.600 0.228 0.000 1.022 378 E CA 1.652 58.115 56.400 0.105 0.000 0.823 378 E CB -0.292 29.330 29.700 -0.130 0.000 0.744 378 E HN 0.469 nan 8.360 nan 0.000 0.456 379 S N 1.001 116.869 115.700 0.279 0.000 2.349 379 S HA -0.185 4.285 4.470 -0.000 0.000 0.216 379 S C 2.103 176.854 174.600 0.251 0.000 1.033 379 S CA 1.161 59.623 58.200 0.435 0.000 1.021 379 S CB -0.410 62.897 63.200 0.178 0.000 0.968 379 S HN 0.091 nan 8.310 nan 0.000 0.426 380 I N 1.488 122.116 120.570 0.096 0.000 2.147 380 I HA -0.234 3.936 4.170 -0.000 0.000 0.245 380 I C 2.300 178.449 176.117 0.054 0.000 1.059 380 I CA 1.193 62.518 61.300 0.042 0.000 1.320 380 I CB -0.904 37.043 38.000 -0.088 0.000 1.021 380 I HN 0.107 nan 8.210 nan 0.000 0.415 381 V N 0.213 120.188 119.914 0.101 0.000 2.244 381 V HA -0.244 3.876 4.120 -0.000 0.000 0.244 381 V C 2.236 178.500 176.094 0.283 0.000 1.042 381 V CA 2.072 64.492 62.300 0.200 0.000 1.006 381 V CB -0.367 31.631 31.823 0.293 0.000 0.641 381 V HN 0.291 nan 8.190 nan 0.000 0.446 382 I N -0.918 119.736 120.570 0.140 0.000 2.060 382 I HA -0.256 3.914 4.170 -0.000 0.000 0.233 382 I C 1.925 177.956 176.117 -0.144 0.000 1.054 382 I CA 1.981 63.168 61.300 -0.189 0.000 1.318 382 I CB -0.373 37.153 38.000 -0.789 0.000 1.054 382 I HN 0.385 nan 8.210 nan 0.000 0.395 383 W N 0.991 122.203 121.300 -0.148 0.000 3.223 383 W HA 0.377 5.037 4.660 -0.000 0.000 0.389 383 W C 1.148 177.202 176.519 -0.776 0.000 1.118 383 W CA 0.139 57.195 57.345 -0.482 0.000 1.902 383 W CB -0.463 28.476 29.460 -0.868 0.000 1.094 383 W HN 0.437 nan 8.180 nan 0.000 0.666 384 G N 3.141 111.639 108.800 -0.503 0.000 2.321 384 G HA2 -0.343 3.617 3.960 -0.000 0.000 0.287 384 G HA3 -0.343 3.617 3.960 -0.000 0.000 0.287 384 G C 0.075 174.799 174.900 -0.293 0.000 1.018 384 G CA 1.046 45.889 45.100 -0.429 0.000 0.855 384 G HN 0.474 nan 8.290 nan 0.000 0.507 385 K N -1.465 118.857 120.400 -0.130 0.000 2.582 385 K HA 0.489 4.809 4.320 -0.000 0.000 0.259 385 K C -0.060 176.497 176.600 -0.072 0.000 0.973 385 K CA -0.343 55.880 56.287 -0.107 0.000 0.880 385 K CB 0.194 32.611 32.500 -0.138 0.000 1.310 385 K HN 0.600 nan 8.250 nan 0.000 0.443 386 T N 1.568 116.095 114.554 -0.045 0.000 2.933 386 T HA 0.155 4.505 4.350 -0.000 0.000 0.306 386 T C -1.963 172.629 174.700 -0.181 0.000 1.045 386 T CA -0.340 61.657 62.100 -0.172 0.000 1.143 386 T CB 0.018 68.738 68.868 -0.247 0.000 1.003 386 T HN 0.402 nan 8.240 nan 0.000 0.540 387 P HA 0.415 nan 4.420 nan 0.000 0.323 387 P C -0.587 176.486 177.300 -0.377 0.000 1.309 387 P CA -0.783 62.046 63.100 -0.451 0.000 0.739 387 P CB 0.527 31.747 31.700 -0.799 0.000 1.454 388 K N 0.304 120.427 120.400 -0.461 0.000 2.541 388 K HA 0.393 4.713 4.320 -0.000 0.000 0.250 388 K C -1.616 174.821 176.600 -0.271 0.000 0.950 388 K CA -0.436 55.726 56.287 -0.207 0.000 0.805 388 K CB 0.584 33.001 32.500 -0.139 0.000 1.166 388 K HN 0.188 nan 8.250 nan 0.000 0.430 389 F N 2.819 122.708 119.950 -0.101 0.000 2.415 389 F HA 0.368 4.895 4.527 -0.000 0.000 0.348 389 F C 0.698 176.372 175.800 -0.209 0.000 1.119 389 F CA -0.756 57.149 58.000 -0.157 0.000 1.069 389 F CB 1.290 40.161 39.000 -0.215 0.000 1.124 389 F HN 0.213 nan 8.300 nan 0.000 0.472 390 K N 4.741 125.153 120.400 0.019 0.000 2.155 390 K HA 0.262 4.582 4.320 -0.000 0.000 0.240 390 K C -0.607 175.965 176.600 -0.046 0.000 1.193 390 K CA -0.085 56.187 56.287 -0.025 0.000 1.104 390 K CB -0.035 32.479 32.500 0.024 0.000 1.558 390 K HN 0.559 nan 8.250 nan 0.000 0.313 391 L N 5.080 126.192 121.223 -0.186 0.000 2.530 391 L HA 0.078 4.418 4.340 -0.000 0.000 0.273 391 L C -1.581 175.293 176.870 0.006 0.000 1.141 391 L CA -1.536 53.173 54.840 -0.217 0.000 0.905 391 L CB -0.095 41.583 42.059 -0.635 0.000 1.202 391 L HN 0.245 nan 8.230 nan 0.000 0.473 392 P HA 0.155 nan 4.420 nan 0.000 0.249 392 P C -0.627 176.801 177.300 0.212 0.000 1.737 392 P CA 0.109 63.301 63.100 0.153 0.000 1.128 392 P CB 0.305 32.098 31.700 0.155 0.000 1.942 393 I N -0.300 120.425 120.570 0.258 0.000 2.787 393 I HA 0.233 4.403 4.170 -0.000 0.000 0.294 393 I C -0.902 175.360 176.117 0.241 0.000 1.365 393 I CA -1.106 60.368 61.300 0.289 0.000 1.029 393 I CB 2.558 40.785 38.000 0.379 0.000 1.313 393 I HN -0.011 nan 8.210 nan 0.000 0.431 394 Q N 6.143 126.022 119.800 0.132 0.000 2.244 394 Q HA 0.047 4.387 4.340 -0.000 0.000 0.278 394 Q C 1.043 176.887 176.000 -0.260 0.000 1.093 394 Q CA 0.465 56.267 55.803 -0.001 0.000 0.916 394 Q CB 0.844 29.608 28.738 0.043 0.000 1.159 394 Q HN 0.729 nan 8.270 nan 0.000 0.384 395 K N 3.627 123.654 120.400 -0.621 0.000 2.163 395 K HA -0.308 4.012 4.320 -0.000 0.000 0.210 395 K C 0.610 176.897 176.600 -0.523 0.000 1.048 395 K CA 2.443 57.971 56.287 -1.264 0.000 0.928 395 K CB 0.226 32.364 32.500 -0.604 0.000 0.716 395 K HN 0.699 nan 8.250 nan 0.000 0.459 396 E N -0.782 119.309 120.200 -0.180 0.000 2.190 396 E HA -0.020 4.330 4.350 -0.000 0.000 0.191 396 E C 1.861 178.499 176.600 0.062 0.000 0.978 396 E CA 1.170 57.568 56.400 -0.004 0.000 0.839 396 E CB 0.148 29.860 29.700 0.021 0.000 0.787 396 E HN 0.274 nan 8.360 nan 0.000 0.473 397 T N 0.716 115.327 114.554 0.095 0.000 2.643 397 T HA -0.174 4.176 4.350 -0.000 0.000 0.264 397 T C 1.270 176.135 174.700 0.275 0.000 1.045 397 T CA 1.169 63.406 62.100 0.227 0.000 1.155 397 T CB -0.384 68.635 68.868 0.253 0.000 0.863 397 T HN 0.403 nan 8.240 nan 0.000 0.420 398 W N 2.247 123.598 121.300 0.085 0.000 2.335 398 W HA -0.174 4.485 4.660 -0.000 0.000 0.311 398 W C 2.051 178.672 176.519 0.171 0.000 1.213 398 W CA 1.635 59.059 57.345 0.132 0.000 1.274 398 W CB -0.534 29.018 29.460 0.154 0.000 1.148 398 W HN 0.293 nan 8.180 nan 0.000 0.498 399 E N -0.075 120.315 120.200 0.316 0.000 2.147 399 E HA -0.227 4.123 4.350 -0.000 0.000 0.199 399 E C 2.141 178.814 176.600 0.121 0.000 1.005 399 E CA 3.193 59.810 56.400 0.361 0.000 0.810 399 E CB -0.437 29.487 29.700 0.373 0.000 0.736 399 E HN 0.158 nan 8.360 nan 0.000 0.460 400 T N -1.624 112.866 114.554 -0.106 0.000 2.894 400 T HA -0.057 4.293 4.350 -0.000 0.000 0.258 400 T C 1.281 175.445 174.700 -0.895 0.000 1.043 400 T CA 1.257 63.035 62.100 -0.536 0.000 1.141 400 T CB -0.341 68.043 68.868 -0.806 0.000 0.873 400 T HN 0.338 nan 8.240 nan 0.000 0.449 401 W N 1.110 122.292 121.300 -0.197 0.000 2.574 401 W HA 0.161 4.821 4.660 -0.000 0.000 0.282 401 W C 2.303 178.534 176.519 -0.481 0.000 1.197 401 W CA -0.451 56.728 57.345 -0.277 0.000 1.376 401 W CB -0.531 28.861 29.460 -0.114 0.000 1.091 401 W HN 0.282 nan 8.180 nan 0.000 0.569 402 W N 1.350 122.275 121.300 -0.625 0.000 2.269 402 W HA -0.400 4.260 4.660 -0.000 0.000 0.336 402 W C 1.761 178.076 176.519 -0.339 0.000 1.333 402 W CA 2.429 59.308 57.345 -0.776 0.000 1.299 402 W CB -2.184 26.318 29.460 -1.597 0.000 1.126 402 W HN -0.031 nan 8.180 nan 0.000 0.474 403 T N 1.337 114.718 114.554 -1.954 0.000 2.701 403 T HA -0.377 3.973 4.350 -0.000 0.000 0.265 403 T C 1.575 175.931 174.700 -0.573 0.000 1.032 403 T CA 3.043 64.192 62.100 -1.586 0.000 1.158 403 T CB -0.335 67.677 68.868 -1.427 0.000 0.854 403 T HN 0.315 nan 8.240 nan 0.000 0.463 404 E N 0.006 119.962 120.200 -0.406 0.000 1.983 404 E HA -0.125 4.225 4.350 -0.000 0.000 0.208 404 E C 1.758 178.180 176.600 -0.298 0.000 1.006 404 E CA 2.068 58.271 56.400 -0.327 0.000 0.872 404 E CB -0.702 28.733 29.700 -0.440 0.000 0.806 404 E HN 0.776 nan 8.360 nan 0.000 0.510 405 Y N -0.651 119.587 120.300 -0.103 0.000 2.716 405 Y HA -0.089 4.461 4.550 -0.000 0.000 0.302 405 Y C 0.600 176.427 175.900 -0.123 0.000 1.160 405 Y CA 0.066 58.092 58.100 -0.124 0.000 1.362 405 Y CB -0.494 37.877 38.460 -0.148 0.000 0.988 405 Y HN 0.208 nan 8.280 nan 0.000 0.546 406 W N 3.159 124.406 121.300 -0.088 0.000 2.591 406 W HA -0.037 4.623 4.660 -0.000 0.000 0.330 406 W C 0.254 176.705 176.519 -0.113 0.000 1.435 406 W CA 0.216 57.512 57.345 -0.081 0.000 1.350 406 W CB 0.754 30.145 29.460 -0.116 0.000 1.434 406 W HN 0.280 nan 8.180 nan 0.000 0.553 407 Q N 4.248 123.715 119.800 -0.556 0.000 2.200 407 Q HA 0.062 4.401 4.340 -0.000 0.000 0.197 407 Q C 1.258 177.005 176.000 -0.422 0.000 0.953 407 Q CA 0.544 56.126 55.803 -0.369 0.000 0.851 407 Q CB -0.836 27.712 28.738 -0.317 0.000 0.938 407 Q HN 0.549 nan 8.270 nan 0.000 0.488 408 A N 1.412 123.758 122.820 -0.790 0.000 2.577 408 A HA 0.041 4.361 4.320 -0.000 0.000 0.233 408 A C 1.256 178.637 177.584 -0.338 0.000 1.076 408 A CA 1.089 52.617 52.037 -0.848 0.000 0.767 408 A CB 0.078 18.061 19.000 -1.694 0.000 1.017 408 A HN 0.434 nan 8.150 nan 0.000 0.511 409 T N -1.222 113.040 114.554 -0.486 0.000 3.067 409 T HA 0.123 4.473 4.350 -0.000 0.000 0.257 409 T C 0.488 175.229 174.700 0.069 0.000 1.105 409 T CA 0.611 62.620 62.100 -0.152 0.000 1.104 409 T CB -0.271 68.501 68.868 -0.160 0.000 0.925 409 T HN 0.727 nan 8.240 nan 0.000 0.498 410 W N 0.767 122.205 121.300 0.230 0.000 2.639 410 W HA 0.723 5.383 4.660 -0.000 0.000 0.347 410 W C -1.201 175.542 176.519 0.374 0.000 1.067 410 W CA -1.613 55.863 57.345 0.219 0.000 1.218 410 W CB 0.769 30.259 29.460 0.049 0.000 1.393 410 W HN -0.217 nan 8.180 nan 0.000 0.557 411 I N 3.901 124.808 120.570 0.561 0.000 2.382 411 I HA 0.237 4.407 4.170 -0.000 0.000 0.286 411 I C -1.577 174.643 176.117 0.171 0.000 1.002 411 I CA -2.773 58.678 61.300 0.252 0.000 1.135 411 I CB 0.980 38.915 38.000 -0.109 0.000 1.288 411 I HN 0.078 nan 8.210 nan 0.000 0.448 412 P HA 0.231 nan 4.420 nan 0.000 0.329 412 P C -0.425 176.743 177.300 -0.220 0.000 1.319 412 P CA -0.244 62.941 63.100 0.141 0.000 0.742 412 P CB 1.174 33.138 31.700 0.440 0.000 1.564 413 E N -1.337 118.774 120.200 -0.148 0.000 2.221 413 E HA 0.445 4.795 4.350 -0.000 0.000 0.268 413 E C -0.766 175.733 176.600 -0.168 0.000 0.933 413 E CA -0.130 56.046 56.400 -0.374 0.000 0.809 413 E CB 1.318 30.899 29.700 -0.198 0.000 1.190 413 E HN 0.509 nan 8.360 nan 0.000 0.406 414 W N 0.281 121.478 121.300 -0.171 0.000 3.005 414 W HA 0.548 5.208 4.660 -0.000 0.000 0.343 414 W C -1.076 175.145 176.519 -0.496 0.000 1.243 414 W CA -0.960 56.175 57.345 -0.350 0.000 1.186 414 W CB 0.332 29.412 29.460 -0.634 0.000 1.453 414 W HN 0.533 nan 8.180 nan 0.000 0.575 415 E N 0.138 120.124 120.200 -0.356 0.000 2.430 415 E HA 0.703 5.053 4.350 -0.000 0.000 0.279 415 E C -2.036 174.158 176.600 -0.677 0.000 1.003 415 E CA -1.076 55.072 56.400 -0.418 0.000 0.801 415 E CB 2.302 31.946 29.700 -0.093 0.000 1.313 415 E HN 0.309 nan 8.360 nan 0.000 0.459 416 F N 0.830 120.807 119.950 0.044 0.000 2.449 416 F HA 0.495 5.021 4.527 -0.000 0.000 0.342 416 F C -0.530 175.295 175.800 0.041 0.000 1.127 416 F CA -1.043 56.966 58.000 0.015 0.000 0.975 416 F CB 1.987 41.004 39.000 0.028 0.000 1.146 416 F HN 0.201 nan 8.300 nan 0.000 0.444 417 V N 4.061 124.077 119.914 0.170 0.000 2.417 417 V HA 0.136 4.256 4.120 -0.000 0.000 0.291 417 V C 0.956 177.123 176.094 0.121 0.000 1.024 417 V CA -1.040 61.339 62.300 0.131 0.000 0.861 417 V CB 1.427 33.307 31.823 0.094 0.000 0.985 417 V HN 0.886 nan 8.190 nan 0.000 0.436 418 N N 3.127 121.893 118.700 0.109 0.000 2.112 418 N HA -0.241 4.499 4.740 -0.000 0.000 0.200 418 N C 0.572 176.128 175.510 0.078 0.000 1.011 418 N CA 2.463 55.567 53.050 0.091 0.000 0.891 418 N CB -0.031 38.504 38.487 0.080 0.000 1.060 418 N HN 0.696 nan 8.380 nan 0.000 0.478 419 T N 0.957 115.555 114.554 0.074 0.000 4.266 419 T HA 0.246 4.596 4.350 -0.000 0.000 0.368 419 T C -3.166 171.569 174.700 0.058 0.000 0.992 419 T CA -1.106 61.031 62.100 0.061 0.000 1.044 419 T CB 1.369 70.267 68.868 0.051 0.000 1.150 419 T HN 0.080 nan 8.240 nan 0.000 0.470 420 P HA 0.333 nan 4.420 nan 0.000 0.282 420 P C -2.089 175.225 177.300 0.025 0.000 1.262 420 P CA -1.042 62.083 63.100 0.041 0.000 0.773 420 P CB 1.129 32.842 31.700 0.022 0.000 0.879 421 P HA 0.069 nan 4.420 nan 0.000 0.193 421 P C 0.374 177.657 177.300 -0.028 0.000 1.119 421 P CA 0.194 63.306 63.100 0.020 0.000 0.798 421 P CB 0.199 31.932 31.700 0.054 0.000 0.698 422 L N 0.612 121.809 121.223 -0.044 0.000 2.480 422 L HA 0.148 4.488 4.340 -0.000 0.000 0.243 422 L C 0.196 176.809 176.870 -0.429 0.000 1.315 422 L CA 0.309 55.041 54.840 -0.179 0.000 1.231 422 L CB -0.707 41.272 42.059 -0.134 0.000 1.444 422 L HN -0.099 nan 8.230 nan 0.000 0.409 423 V N 0.649 120.401 119.914 -0.270 0.000 3.213 423 V HA 0.033 4.153 4.120 -0.000 0.000 0.260 423 V C 1.780 177.827 176.094 -0.078 0.000 1.663 423 V CA 0.021 62.158 62.300 -0.271 0.000 1.026 423 V CB 0.063 31.831 31.823 -0.091 0.000 0.874 423 V HN 0.524 nan 8.190 nan 0.000 0.410 424 K N 0.700 121.057 120.400 -0.072 0.000 2.155 424 K HA 0.066 4.386 4.320 -0.000 0.000 0.203 424 K C 1.929 178.505 176.600 -0.039 0.000 1.052 424 K CA 1.106 57.362 56.287 -0.052 0.000 0.948 424 K CB 0.214 32.676 32.500 -0.065 0.000 0.728 424 K HN 0.413 nan 8.250 nan 0.000 0.448 425 L N 0.538 121.737 121.223 -0.040 0.000 2.492 425 L HA -0.029 4.311 4.340 -0.000 0.000 0.223 425 L C 1.548 178.443 176.870 0.041 0.000 1.132 425 L CA -0.046 54.783 54.840 -0.017 0.000 0.850 425 L CB -0.014 42.031 42.059 -0.023 0.000 0.966 425 L HN 0.416 nan 8.230 nan 0.000 0.454 426 W N 0.092 121.275 121.300 -0.195 0.000 3.165 426 W HA 0.065 4.725 4.660 -0.000 0.000 0.637 426 W C 0.365 176.882 176.519 -0.003 0.000 2.417 426 W CA 0.046 57.286 57.345 -0.174 0.000 1.021 426 W CB -0.609 28.562 29.460 -0.482 0.000 3.008 426 W HN -0.133 nan 8.180 nan 0.000 0.621 427 Y N 0.000 120.248 120.300 -0.086 0.000 2.660 427 Y HA 0.000 4.550 4.550 -0.000 0.000 0.201 427 Y CA 0.000 58.028 58.100 -0.121 0.000 1.940 427 Y CB 0.000 38.436 38.460 -0.040 0.000 1.050 427 Y HN 0.000 nan 8.280 nan 0.000 0.758