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 3m8p_1_A DATA FIRST_RESID 1 DATA SEQUENCE PISPIETVPV KLKPGMDGPK VKQWPLTEEK IKALVEICTE MEKEGKISKI DATA SEQUENCE GPENPYNTPV FAIKXXXXTK WRKLVDFREL NKRTQDFWEV QLGIPHPAGL DATA SEQUENCE KKKKSVTVLD VGDAYFSVPL DEDFRKYTAF TIPSINNETP GIRYQYNVLP DATA SEQUENCE QGWKGSPAIF QSSMTKILEP FRKQNPDIVI YQYMDDLYVG SDLEIGQHRT DATA SEQUENCE KIEELRQHLL RWGLTTPDKK HQKEPPFLWM GYELHPDKWT VQPIVLPEKD DATA SEQUENCE SWTVNDIQKL VGKLNWASQI YPGIKVRQLC KLLRGTKALT EVIPLTEEAE DATA SEQUENCE LELAENREIL KEPVHGVYYD PSKDLIAEIQ KQGQGQWTYQ IYQEPFKNLK DATA SEQUENCE TGKYARMRGA HTNDVKQLTE AVQKITTESI VIWGKTPKFK LPIQKETWET DATA SEQUENCE WWTEYWQATW IPEWEFVNTP PLVKLWYQLE KEPIVGAETF YVDGAANRET DATA SEQUENCE KLGKAGYVTN RGRQKVVTLT DTTNQKTELQ AIYLALQDSG LEVNIVTDSQ DATA SEQUENCE YALGIIQAQP DQSESELVNQ IIEQLIKKEK VYLAWVPAHK GIGGNEQVDK DATA SEQUENCE LVSAG 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 0.000 177.365 177.300 0.109 0.000 1.155 1 P CA 0.000 63.149 63.100 0.082 0.000 0.800 1 P CB 0.000 31.742 31.700 0.070 0.000 0.726 2 I N 0.164 120.794 120.570 0.100 0.000 2.563 2 I HA 0.197 4.367 4.170 0.000 0.000 0.281 2 I C 0.143 176.329 176.117 0.116 0.000 1.110 2 I CA -0.427 60.946 61.300 0.121 0.000 1.073 2 I CB 1.794 39.857 38.000 0.106 0.000 1.215 2 I HN 0.417 nan 8.210 nan 0.000 0.460 3 S N 7.353 123.141 115.700 0.147 0.000 2.593 3 S HA 0.017 4.487 4.470 0.000 0.000 0.303 3 S C -1.020 173.678 174.600 0.163 0.000 1.267 3 S CA -0.316 57.992 58.200 0.181 0.000 1.047 3 S CB 0.673 64.001 63.200 0.213 0.000 0.777 3 S HN 0.529 nan 8.310 nan 0.000 0.498 4 P HA 0.044 nan 4.420 nan 0.000 0.227 4 P C 0.908 178.353 177.300 0.243 0.000 1.161 4 P CA -0.050 63.124 63.100 0.125 0.000 0.788 4 P CB -0.145 31.533 31.700 -0.036 0.000 0.822 5 I N 2.523 123.346 120.570 0.422 0.000 3.163 5 I HA -0.169 4.001 4.170 0.000 0.000 0.332 5 I C 0.807 177.030 176.117 0.177 0.000 1.205 5 I CA 0.759 62.255 61.300 0.326 0.000 1.473 5 I CB 0.023 38.108 38.000 0.141 0.000 1.300 5 I HN 0.161 nan 8.210 nan 0.000 0.532 6 E N 5.412 125.698 120.200 0.142 0.000 2.436 6 E HA 0.086 4.436 4.350 0.000 0.000 0.262 6 E C 0.158 176.808 176.600 0.082 0.000 1.063 6 E CA -0.428 56.033 56.400 0.101 0.000 0.944 6 E CB 0.469 30.220 29.700 0.085 0.000 0.950 6 E HN 0.678 nan 8.360 nan 0.000 0.444 7 T N -0.046 114.558 114.554 0.083 0.000 2.748 7 T HA 0.260 4.611 4.350 0.000 0.000 0.304 7 T C 0.165 174.911 174.700 0.077 0.000 1.041 7 T CA -0.887 61.263 62.100 0.083 0.000 1.033 7 T CB 0.788 69.711 68.868 0.092 0.000 0.995 7 T HN 0.330 nan 8.240 nan 0.000 0.536 8 V N 3.769 123.734 119.914 0.086 0.000 2.417 8 V HA 0.422 4.542 4.120 0.000 0.000 0.291 8 V C -1.950 174.207 176.094 0.105 0.000 1.024 8 V CA -1.989 60.365 62.300 0.090 0.000 0.861 8 V CB 1.415 33.298 31.823 0.100 0.000 0.985 8 V HN 0.882 nan 8.190 nan 0.000 0.436 9 P HA 0.304 nan 4.420 nan 0.000 0.269 9 P C -0.951 176.407 177.300 0.096 0.000 1.215 9 P CA 0.118 63.277 63.100 0.100 0.000 0.780 9 P CB 1.368 33.115 31.700 0.078 0.000 0.898 10 V N 1.921 121.901 119.914 0.111 0.000 3.188 10 V HA 0.569 4.689 4.120 0.000 0.000 0.305 10 V C -0.308 175.889 176.094 0.172 0.000 1.232 10 V CA -0.735 61.590 62.300 0.043 0.000 1.043 10 V CB 2.563 34.288 31.823 -0.163 0.000 1.068 10 V HN 0.525 nan 8.190 nan 0.000 0.439 11 K N 1.291 121.778 120.400 0.144 0.000 2.562 11 K HA 0.621 4.941 4.320 0.000 0.000 0.267 11 K C -1.644 175.059 176.600 0.171 0.000 0.938 11 K CA -0.794 55.611 56.287 0.198 0.000 0.840 11 K CB 2.538 35.081 32.500 0.072 0.000 1.390 11 K HN 0.419 nan 8.250 nan 0.000 0.428 12 L N 1.490 122.772 121.223 0.099 0.000 2.479 12 L HA 0.314 4.654 4.340 0.000 0.000 0.248 12 L C 0.438 177.303 176.870 -0.009 0.000 1.205 12 L CA -0.446 54.400 54.840 0.011 0.000 0.817 12 L CB 0.177 42.126 42.059 -0.183 0.000 1.162 12 L HN 0.353 nan 8.230 nan 0.000 0.486 13 K N 1.420 121.810 120.400 -0.016 0.000 2.448 13 K HA 0.032 4.352 4.320 0.000 0.000 0.278 13 K C -1.490 175.102 176.600 -0.014 0.000 1.009 13 K CA -1.081 55.194 56.287 -0.020 0.000 0.995 13 K CB 0.517 33.009 32.500 -0.013 0.000 0.917 13 K HN 0.284 nan 8.250 nan 0.000 0.481 14 P HA -0.241 nan 4.420 nan 0.000 0.216 14 P C 0.838 178.141 177.300 0.006 0.000 1.167 14 P CA 1.593 64.692 63.100 -0.001 0.000 0.933 14 P CB -0.051 31.647 31.700 -0.002 0.000 0.793 15 G N -1.322 107.482 108.800 0.007 0.000 3.332 15 G HA2 0.237 4.197 3.960 0.000 0.000 0.242 15 G HA3 0.237 4.197 3.960 0.000 0.000 0.242 15 G C 0.381 175.291 174.900 0.016 0.000 1.276 15 G CA 0.010 45.118 45.100 0.013 0.000 0.988 15 G HN 0.201 nan 8.290 nan 0.000 0.517 16 M N 0.221 119.826 119.600 0.009 0.000 2.457 16 M HA 0.320 4.800 4.480 0.000 0.000 0.300 16 M C -1.727 174.569 176.300 -0.007 0.000 1.141 16 M CA -0.852 54.450 55.300 0.003 0.000 0.901 16 M CB 2.645 35.240 32.600 -0.008 0.000 1.687 16 M HN -0.024 nan 8.290 nan 0.000 0.449 17 D N 0.979 121.389 120.400 0.017 0.000 2.272 17 D HA 0.597 5.237 4.640 0.000 0.000 0.247 17 D C 0.177 176.462 176.300 -0.025 0.000 0.990 17 D CA 0.121 54.145 54.000 0.040 0.000 0.931 17 D CB 1.704 42.586 40.800 0.136 0.000 1.195 17 D HN 0.700 nan 8.370 nan 0.000 0.477 18 G N 1.189 109.910 108.800 -0.130 0.000 2.699 18 G HA2 0.312 4.272 3.960 0.000 0.000 0.246 18 G HA3 0.312 4.272 3.960 0.000 0.000 0.246 18 G C -2.212 172.726 174.900 0.063 0.000 1.219 18 G CA -0.751 44.191 45.100 -0.264 0.000 0.866 18 G HN 0.495 nan 8.290 nan 0.000 0.572 19 P HA 0.363 nan 4.420 nan 0.000 0.281 19 P C -0.922 176.534 177.300 0.260 0.000 1.249 19 P CA -0.528 62.674 63.100 0.170 0.000 0.810 19 P CB 1.585 33.378 31.700 0.154 0.000 1.008 20 K N 0.965 121.484 120.400 0.198 0.000 3.253 20 K HA 0.278 4.598 4.320 0.000 0.000 0.174 20 K C -0.679 176.000 176.600 0.131 0.000 1.071 20 K CA -0.329 56.064 56.287 0.177 0.000 0.836 20 K CB 0.674 33.264 32.500 0.150 0.000 0.922 20 K HN 0.192 nan 8.250 nan 0.000 0.565 21 V N 0.870 120.866 119.914 0.136 0.000 2.834 21 V HA 0.241 4.362 4.120 0.000 0.000 0.301 21 V C 0.436 176.602 176.094 0.119 0.000 1.066 21 V CA -0.722 61.648 62.300 0.117 0.000 1.052 21 V CB 1.262 33.151 31.823 0.111 0.000 1.021 21 V HN 0.317 nan 8.190 nan 0.000 0.480 22 K N 2.369 122.842 120.400 0.122 0.000 2.172 22 K HA 0.307 4.627 4.320 0.000 0.000 0.276 22 K C -0.396 176.301 176.600 0.163 0.000 1.013 22 K CA -0.584 55.779 56.287 0.128 0.000 0.913 22 K CB 1.178 33.759 32.500 0.134 0.000 1.055 22 K HN 0.719 nan 8.250 nan 0.000 0.461 23 Q N 5.137 125.026 119.800 0.147 0.000 2.337 23 Q HA 0.036 4.376 4.340 0.000 0.000 0.255 23 Q C -1.113 175.013 176.000 0.210 0.000 0.997 23 Q CA -0.323 55.587 55.803 0.179 0.000 0.925 23 Q CB 0.424 29.245 28.738 0.138 0.000 1.212 23 Q HN 0.565 nan 8.270 nan 0.000 0.436 24 W N 6.892 128.236 121.300 0.073 0.000 2.181 24 W HA 0.242 4.902 4.660 0.000 0.000 0.335 24 W C -2.382 174.181 176.519 0.073 0.000 1.310 24 W CA -1.858 55.529 57.345 0.071 0.000 1.226 24 W CB 0.741 30.251 29.460 0.084 0.000 1.155 24 W HN 0.542 nan 8.180 nan 0.000 0.565 25 P HA 0.101 nan 4.420 nan 0.000 0.271 25 P C -0.466 176.799 177.300 -0.057 0.000 1.220 25 P CA 0.397 63.343 63.100 -0.256 0.000 0.768 25 P CB 0.642 32.099 31.700 -0.406 0.000 0.848 26 L N 1.517 122.755 121.223 0.024 0.000 2.358 26 L HA 0.439 4.779 4.340 0.000 0.000 0.268 26 L C 1.207 178.077 176.870 0.001 0.000 1.032 26 L CA -0.656 54.221 54.840 0.062 0.000 0.805 26 L CB 1.242 43.312 42.059 0.019 0.000 1.253 26 L HN 0.282 nan 8.230 nan 0.000 0.452 27 T N -0.632 113.917 114.554 -0.009 0.000 2.828 27 T HA 0.067 4.417 4.350 0.000 0.000 0.290 27 T C 1.017 175.668 174.700 -0.081 0.000 1.019 27 T CA -0.266 61.817 62.100 -0.029 0.000 1.031 27 T CB 0.692 69.555 68.868 -0.009 0.000 1.001 27 T HN 0.645 nan 8.240 nan 0.000 0.531 28 E N 1.279 121.438 120.200 -0.067 0.000 2.076 28 E HA -0.095 4.255 4.350 0.000 0.000 0.190 28 E C 1.919 178.436 176.600 -0.139 0.000 0.979 28 E CA 0.764 57.112 56.400 -0.087 0.000 0.807 28 E CB -0.017 29.650 29.700 -0.054 0.000 0.761 28 E HN 0.661 nan 8.360 nan 0.000 0.454 29 E N 1.688 121.815 120.200 -0.122 0.000 2.132 29 E HA -0.265 4.085 4.350 0.000 0.000 0.218 29 E C 1.942 178.242 176.600 -0.499 0.000 1.058 29 E CA 2.060 58.346 56.400 -0.190 0.000 0.882 29 E CB -0.103 29.577 29.700 -0.033 0.000 0.774 29 E HN 0.174 nan 8.360 nan 0.000 0.467 30 K N -0.079 120.025 120.400 -0.492 0.000 2.062 30 K HA -0.007 4.313 4.320 0.000 0.000 0.205 30 K C 2.316 178.662 176.600 -0.423 0.000 1.051 30 K CA 1.094 56.989 56.287 -0.653 0.000 0.941 30 K CB -0.168 32.036 32.500 -0.493 0.000 0.719 30 K HN 0.120 nan 8.250 nan 0.000 0.440 31 I N 1.783 122.201 120.570 -0.253 0.000 2.151 31 I HA -0.359 3.811 4.170 0.000 0.000 0.243 31 I C 2.668 178.679 176.117 -0.177 0.000 1.080 31 I CA 1.480 62.685 61.300 -0.157 0.000 1.339 31 I CB -0.339 37.602 38.000 -0.100 0.000 1.039 31 I HN 0.218 nan 8.210 nan 0.000 0.409 32 K N 1.250 121.521 120.400 -0.215 0.000 2.026 32 K HA -0.178 4.142 4.320 0.000 0.000 0.208 32 K C 2.236 178.701 176.600 -0.225 0.000 1.048 32 K CA 1.522 57.702 56.287 -0.178 0.000 0.929 32 K CB -0.126 32.282 32.500 -0.152 0.000 0.713 32 K HN 0.287 nan 8.250 nan 0.000 0.439 33 A N 1.273 123.836 122.820 -0.428 0.000 1.972 33 A HA -0.124 4.196 4.320 0.000 0.000 0.219 33 A C 2.103 179.552 177.584 -0.226 0.000 1.169 33 A CA 1.217 52.981 52.037 -0.454 0.000 0.635 33 A CB -0.490 17.893 19.000 -1.029 0.000 0.810 33 A HN 0.329 nan 8.150 nan 0.000 0.446 34 L N -0.649 120.451 121.223 -0.206 0.000 2.044 34 L HA -0.132 4.209 4.340 0.000 0.000 0.205 34 L C 2.546 179.398 176.870 -0.030 0.000 1.075 34 L CA 1.039 55.831 54.840 -0.081 0.000 0.747 34 L CB -0.529 41.505 42.059 -0.042 0.000 0.903 34 L HN 0.255 nan 8.230 nan 0.000 0.435 35 V N -0.101 119.795 119.914 -0.029 0.000 2.324 35 V HA -0.361 3.759 4.120 0.000 0.000 0.250 35 V C 2.388 178.480 176.094 -0.002 0.000 1.060 35 V CA 2.141 64.448 62.300 0.012 0.000 1.042 35 V CB -0.602 31.218 31.823 -0.005 0.000 0.650 35 V HN 0.483 nan 8.190 nan 0.000 0.450 36 E N -0.148 120.036 120.200 -0.028 0.000 2.031 36 E HA -0.206 4.144 4.350 0.000 0.000 0.193 36 E C 2.173 178.768 176.600 -0.010 0.000 0.994 36 E CA 1.714 58.106 56.400 -0.014 0.000 0.800 36 E CB -0.172 29.518 29.700 -0.017 0.000 0.752 36 E HN 0.604 nan 8.360 nan 0.000 0.447 37 I N 0.212 120.775 120.570 -0.012 0.000 2.252 37 I HA -0.316 3.854 4.170 0.000 0.000 0.245 37 I C 2.492 178.574 176.117 -0.060 0.000 1.102 37 I CA 0.564 61.862 61.300 -0.004 0.000 1.385 37 I CB -0.148 37.867 38.000 0.025 0.000 1.064 37 I HN 0.322 nan 8.210 nan 0.000 0.414 38 C N 0.316 119.558 119.300 -0.097 0.000 2.425 38 C HA -0.148 4.312 4.460 0.000 0.000 0.277 38 C C 3.012 177.862 174.990 -0.233 0.000 1.280 38 C CA 1.557 60.421 59.018 -0.256 0.000 1.744 38 C CB -1.109 26.421 27.740 -0.351 0.000 1.989 38 C HN 0.525 nan 8.230 nan 0.000 0.491 39 T N 0.437 114.948 114.554 -0.072 0.000 2.643 39 T HA -0.193 4.157 4.350 0.000 0.000 0.264 39 T C 1.707 176.383 174.700 -0.039 0.000 1.045 39 T CA 1.349 63.440 62.100 -0.014 0.000 1.155 39 T CB -0.370 68.508 68.868 0.017 0.000 0.863 39 T HN 0.611 nan 8.240 nan 0.000 0.420 40 E N 0.588 120.768 120.200 -0.034 0.000 2.097 40 E HA -0.157 4.193 4.350 0.000 0.000 0.196 40 E C 2.254 178.823 176.600 -0.052 0.000 1.000 40 E CA 1.238 57.623 56.400 -0.025 0.000 0.804 40 E CB -0.237 29.460 29.700 -0.005 0.000 0.740 40 E HN 0.525 nan 8.360 nan 0.000 0.454 41 M N 0.026 119.563 119.600 -0.105 0.000 2.132 41 M HA -0.145 4.335 4.480 0.000 0.000 0.263 41 M C 2.354 178.558 176.300 -0.161 0.000 1.065 41 M CA 1.129 56.330 55.300 -0.165 0.000 1.122 41 M CB -0.254 32.180 32.600 -0.276 0.000 1.365 41 M HN 0.067 nan 8.290 nan 0.000 0.411 42 E N 1.025 121.127 120.200 -0.163 0.000 2.070 42 E HA -0.255 4.096 4.350 0.000 0.000 0.197 42 E C 1.757 178.336 176.600 -0.034 0.000 1.004 42 E CA 1.580 57.929 56.400 -0.084 0.000 0.805 42 E CB 0.074 29.777 29.700 0.005 0.000 0.744 42 E HN 0.381 nan 8.360 nan 0.000 0.451 43 K N 0.063 120.448 120.400 -0.026 0.000 2.280 43 K HA -0.132 4.188 4.320 0.000 0.000 0.202 43 K C 1.356 177.950 176.600 -0.009 0.000 1.047 43 K CA 1.330 57.612 56.287 -0.009 0.000 0.942 43 K CB 0.100 32.598 32.500 -0.003 0.000 0.739 43 K HN 0.191 nan 8.250 nan 0.000 0.457 44 E N -1.122 119.066 120.200 -0.021 0.000 2.476 44 E HA 0.122 4.472 4.350 0.000 0.000 0.196 44 E C 0.540 177.134 176.600 -0.010 0.000 1.029 44 E CA 0.229 56.625 56.400 -0.007 0.000 0.896 44 E CB 0.988 30.691 29.700 0.004 0.000 1.012 44 E HN 0.366 nan 8.360 nan 0.000 0.475 45 G N 1.920 110.706 108.800 -0.025 0.000 2.157 45 G HA2 -0.285 3.675 3.960 0.000 0.000 0.248 45 G HA3 -0.285 3.675 3.960 0.000 0.000 0.248 45 G C 1.077 175.954 174.900 -0.037 0.000 0.979 45 G CA 0.408 45.498 45.100 -0.017 0.000 0.650 45 G HN 0.045 nan 8.290 nan 0.000 0.529 46 K N -0.034 120.306 120.400 -0.100 0.000 2.167 46 K HA 0.258 4.579 4.320 0.000 0.000 0.203 46 K C 1.570 178.030 176.600 -0.233 0.000 1.052 46 K CA 1.567 57.748 56.287 -0.177 0.000 0.956 46 K CB -0.078 32.201 32.500 -0.367 0.000 0.735 46 K HN 0.926 nan 8.250 nan 0.000 0.451 47 I N -3.029 117.396 120.570 -0.240 0.000 2.865 47 I HA 0.442 4.612 4.170 0.000 0.000 0.302 47 I C -0.871 175.216 176.117 -0.050 0.000 1.140 47 I CA -0.884 60.279 61.300 -0.228 0.000 1.021 47 I CB 2.611 40.358 38.000 -0.420 0.000 1.233 47 I HN -0.344 nan 8.210 nan 0.000 0.427 48 S N 2.466 118.192 115.700 0.043 0.000 2.521 48 S HA 0.437 4.907 4.470 0.000 0.000 0.295 48 S C -0.605 174.068 174.600 0.123 0.000 1.098 48 S CA -0.906 57.348 58.200 0.089 0.000 0.999 48 S CB 1.792 65.011 63.200 0.032 0.000 1.034 48 S HN 0.495 nan 8.310 nan 0.000 0.483 49 K N 2.134 122.565 120.400 0.051 0.000 2.485 49 K HA 0.253 4.573 4.320 0.000 0.000 0.277 49 K C -0.056 176.451 176.600 -0.155 0.000 0.990 49 K CA 0.402 56.565 56.287 -0.207 0.000 0.994 49 K CB 0.054 32.411 32.500 -0.237 0.000 0.906 49 K HN 0.605 nan 8.250 nan 0.000 0.488 50 I N -2.109 118.338 120.570 -0.206 0.000 3.264 50 I HA 0.531 4.701 4.170 0.000 0.000 0.315 50 I C 0.375 176.401 176.117 -0.151 0.000 1.154 50 I CA -1.160 60.056 61.300 -0.140 0.000 0.962 50 I CB 1.683 39.622 38.000 -0.103 0.000 1.265 50 I HN 0.523 nan 8.210 nan 0.000 0.463 51 G N 0.533 109.264 108.800 -0.114 0.000 2.546 51 G HA2 0.571 4.531 3.960 0.000 0.000 0.239 51 G HA3 0.571 4.531 3.960 0.000 0.000 0.239 51 G C -2.146 172.691 174.900 -0.106 0.000 1.476 51 G CA -0.595 44.441 45.100 -0.108 0.000 1.064 51 G HN 0.627 nan 8.290 nan 0.000 0.561 52 P HA 0.195 nan 4.420 nan 0.000 0.300 52 P C 0.572 177.818 177.300 -0.090 0.000 1.349 52 P CA 0.145 63.192 63.100 -0.088 0.000 1.054 52 P CB 1.083 32.736 31.700 -0.078 0.000 1.548 53 E N -0.152 119.994 120.200 -0.090 0.000 2.153 53 E HA -0.107 4.243 4.350 0.000 0.000 0.194 53 E C 1.011 177.533 176.600 -0.131 0.000 0.988 53 E CA 0.721 57.063 56.400 -0.096 0.000 0.811 53 E CB -1.489 28.163 29.700 -0.080 0.000 0.746 53 E HN 0.139 nan 8.360 nan 0.000 0.466 54 N N 1.766 120.388 118.700 -0.130 0.000 2.442 54 N HA 0.034 4.775 4.740 0.000 0.000 0.265 54 N C -1.857 173.525 175.510 -0.213 0.000 1.138 54 N CA -1.247 51.705 53.050 -0.165 0.000 0.956 54 N CB 1.107 39.539 38.487 -0.092 0.000 1.067 54 N HN -0.033 nan 8.380 nan 0.000 0.474 55 P HA 0.150 nan 4.420 nan 0.000 0.274 55 P C -0.910 176.174 177.300 -0.359 0.000 1.352 55 P CA 0.034 62.908 63.100 -0.377 0.000 0.947 55 P CB 0.052 31.472 31.700 -0.468 0.000 1.437 56 Y N 0.820 121.129 120.300 0.015 0.000 2.387 56 Y HA 0.606 5.156 4.550 0.000 0.000 0.330 56 Y C 0.796 176.740 175.900 0.072 0.000 1.133 56 Y CA -0.862 57.275 58.100 0.061 0.000 1.152 56 Y CB 0.897 39.406 38.460 0.082 0.000 1.215 56 Y HN -0.140 nan 8.280 nan 0.000 0.466 57 N N -0.556 118.313 118.700 0.281 0.000 2.405 57 N HA 0.617 5.358 4.740 0.000 0.000 0.274 57 N C -1.749 173.889 175.510 0.213 0.000 1.170 57 N CA -0.423 52.755 53.050 0.212 0.000 0.848 57 N CB 1.795 40.370 38.487 0.146 0.000 1.629 57 N HN 0.595 nan 8.380 nan 0.000 0.481 58 T N 1.428 116.113 114.554 0.218 0.000 2.901 58 T HA 0.651 5.001 4.350 0.000 0.000 0.293 58 T C -2.864 171.921 174.700 0.141 0.000 1.084 58 T CA -1.101 61.088 62.100 0.150 0.000 1.008 58 T CB 2.068 70.989 68.868 0.089 0.000 1.170 58 T HN 0.318 nan 8.240 nan 0.000 0.509 59 P HA 0.607 nan 4.420 nan 0.000 0.284 59 P C -1.282 176.056 177.300 0.063 0.000 1.258 59 P CA -0.626 62.536 63.100 0.105 0.000 0.824 59 P CB 0.840 32.595 31.700 0.091 0.000 1.038 60 V N 1.252 121.257 119.914 0.151 0.000 2.823 60 V HA 0.645 4.765 4.120 0.000 0.000 0.312 60 V C -0.616 175.630 176.094 0.254 0.000 1.072 60 V CA -0.597 61.785 62.300 0.136 0.000 0.937 60 V CB 1.878 33.818 31.823 0.195 0.000 1.013 60 V HN 0.517 nan 8.190 nan 0.000 0.430 61 F N 0.975 120.944 119.950 0.031 0.000 2.715 61 F HA 0.895 5.422 4.527 0.000 0.000 0.318 61 F C -0.630 175.212 175.800 0.069 0.000 1.141 61 F CA -0.428 57.607 58.000 0.057 0.000 0.950 61 F CB 2.084 41.115 39.000 0.052 0.000 1.374 61 F HN 0.769 nan 8.300 nan 0.000 0.477 62 A N 3.244 125.855 122.820 -0.348 0.000 2.455 62 A HA 0.741 5.061 4.320 0.000 0.000 0.300 62 A C -2.067 175.577 177.584 0.100 0.000 1.040 62 A CA -0.470 51.547 52.037 -0.033 0.000 0.697 62 A CB 1.393 20.312 19.000 -0.135 0.000 1.265 62 A HN 0.789 nan 8.150 nan 0.000 0.407 63 I N 1.370 122.145 120.570 0.342 0.000 2.740 63 I HA 0.450 4.620 4.170 0.000 0.000 0.303 63 I C -0.002 176.171 176.117 0.093 0.000 1.044 63 I CA -0.747 60.719 61.300 0.275 0.000 1.064 63 I CB 1.720 39.869 38.000 0.248 0.000 1.249 63 I HN 0.615 nan 8.210 nan 0.000 0.433 70 K N -0.667 119.625 120.400 -0.181 0.000 2.555 70 K HA 0.390 4.710 4.320 0.000 0.000 0.279 70 K C -1.539 174.961 176.600 -0.167 0.000 0.986 70 K CA -0.751 55.418 56.287 -0.196 0.000 0.880 70 K CB 1.885 34.356 32.500 -0.048 0.000 1.474 70 K HN 0.634 nan 8.250 nan 0.000 0.433 71 W N 1.568 122.868 121.300 0.000 0.000 2.170 71 W HA 0.202 4.862 4.660 0.000 0.000 0.342 71 W C 0.874 177.399 176.519 0.010 0.000 1.294 71 W CA 0.105 57.449 57.345 -0.002 0.000 1.246 71 W CB 0.486 29.940 29.460 -0.010 0.000 1.156 71 W HN 0.075 nan 8.180 nan 0.000 0.572 72 R N 1.859 122.564 120.500 0.341 0.000 2.604 72 R HA 0.223 4.564 4.340 0.000 0.000 0.281 72 R C -0.951 175.474 176.300 0.207 0.000 1.020 72 R CA -1.367 54.860 56.100 0.212 0.000 0.899 72 R CB 2.147 32.531 30.300 0.140 0.000 1.205 72 R HN 0.342 nan 8.270 nan 0.000 0.450 73 K N 2.589 123.087 120.400 0.162 0.000 2.297 73 K HA 0.215 4.535 4.320 0.000 0.000 0.286 73 K C -0.935 175.751 176.600 0.143 0.000 1.053 73 K CA -0.351 56.015 56.287 0.131 0.000 0.940 73 K CB 0.536 33.100 32.500 0.107 0.000 1.019 73 K HN 0.154 nan 8.250 nan 0.000 0.475 74 L N 6.044 127.358 121.223 0.153 0.000 2.316 74 L HA 0.347 4.688 4.340 0.000 0.000 0.280 74 L C -1.116 175.799 176.870 0.074 0.000 1.006 74 L CA -0.587 54.340 54.840 0.146 0.000 0.836 74 L CB 1.547 43.742 42.059 0.226 0.000 1.221 74 L HN 0.396 nan 8.230 nan 0.000 0.418 75 V N 2.469 122.371 119.914 -0.019 0.000 2.713 75 V HA 0.419 4.539 4.120 0.000 0.000 0.307 75 V C -0.455 175.467 176.094 -0.286 0.000 1.052 75 V CA -0.790 61.369 62.300 -0.234 0.000 0.967 75 V CB 2.002 33.506 31.823 -0.533 0.000 1.019 75 V HN 0.651 nan 8.190 nan 0.000 0.459 76 D N 1.545 121.740 120.400 -0.341 0.000 2.472 76 D HA 0.370 5.010 4.640 0.000 0.000 0.234 76 D C -0.184 175.976 176.300 -0.233 0.000 1.088 76 D CA -0.223 53.661 54.000 -0.193 0.000 0.882 76 D CB 0.435 41.175 40.800 -0.099 0.000 1.037 76 D HN 0.388 nan 8.370 nan 0.000 0.520 77 F N 2.257 122.267 119.950 0.100 0.000 2.713 77 F HA 0.285 4.813 4.527 0.000 0.000 0.294 77 F C 2.135 178.011 175.800 0.127 0.000 1.152 77 F CA -0.482 57.605 58.000 0.145 0.000 1.385 77 F CB 0.233 39.362 39.000 0.215 0.000 0.981 77 F HN 0.250 nan 8.300 nan 0.000 0.514 78 R N 0.429 121.042 120.500 0.188 0.000 2.097 78 R HA -0.172 4.168 4.340 0.000 0.000 0.236 78 R C 2.100 178.486 176.300 0.144 0.000 1.135 78 R CA 1.654 57.834 56.100 0.133 0.000 0.934 78 R CB -0.140 30.199 30.300 0.066 0.000 0.846 78 R HN 0.234 nan 8.270 nan 0.000 0.431 79 E N 0.641 120.925 120.200 0.140 0.000 2.051 79 E HA -0.204 4.146 4.350 0.000 0.000 0.192 79 E C 2.013 178.721 176.600 0.181 0.000 0.991 79 E CA 0.970 57.453 56.400 0.138 0.000 0.799 79 E CB -0.352 29.420 29.700 0.121 0.000 0.748 79 E HN 0.162 nan 8.360 nan 0.000 0.449 80 L N 1.891 123.278 121.223 0.273 0.000 2.046 80 L HA -0.163 4.177 4.340 0.000 0.000 0.208 80 L C 1.592 178.665 176.870 0.338 0.000 1.077 80 L CA 1.647 56.677 54.840 0.316 0.000 0.747 80 L CB -0.584 41.742 42.059 0.446 0.000 0.896 80 L HN -0.023 nan 8.230 nan 0.000 0.432 81 N N 0.518 119.416 118.700 0.331 0.000 2.025 81 N HA -0.265 4.475 4.740 0.000 0.000 0.194 81 N C 1.792 177.369 175.510 0.112 0.000 1.044 81 N CA 1.789 54.949 53.050 0.184 0.000 0.851 81 N CB -0.549 38.007 38.487 0.115 0.000 1.036 81 N HN 0.414 nan 8.380 nan 0.000 0.422 82 K N 0.775 121.235 120.400 0.100 0.000 2.293 82 K HA -0.084 4.236 4.320 0.000 0.000 0.204 82 K C 1.172 177.811 176.600 0.065 0.000 1.045 82 K CA 1.243 57.570 56.287 0.067 0.000 0.933 82 K CB 0.064 32.603 32.500 0.064 0.000 0.736 82 K HN 0.089 nan 8.250 nan 0.000 0.463 83 R N 0.071 120.626 120.500 0.092 0.000 2.432 83 R HA 0.049 4.390 4.340 0.000 0.000 0.260 83 R C -0.014 176.331 176.300 0.076 0.000 0.935 83 R CA 0.064 56.202 56.100 0.063 0.000 1.080 83 R CB 1.010 31.336 30.300 0.043 0.000 1.155 83 R HN 0.090 nan 8.270 nan 0.000 0.531 84 T N -0.611 114.019 114.554 0.126 0.000 2.918 84 T HA 0.180 4.530 4.350 0.000 0.000 0.286 84 T C -0.218 174.498 174.700 0.027 0.000 1.026 84 T CA -0.910 61.294 62.100 0.174 0.000 1.031 84 T CB 1.483 70.636 68.868 0.475 0.000 1.046 84 T HN 0.258 nan 8.240 nan 0.000 0.479 85 Q N 2.922 122.687 119.800 -0.058 0.000 2.450 85 Q HA 0.068 4.408 4.340 0.000 0.000 0.294 85 Q C -0.616 175.183 176.000 -0.336 0.000 1.129 85 Q CA 0.032 55.700 55.803 -0.224 0.000 0.970 85 Q CB 0.247 28.782 28.738 -0.337 0.000 1.294 85 Q HN 0.573 nan 8.270 nan 0.000 0.453 86 D N 0.700 120.934 120.400 -0.276 0.000 2.377 86 D HA 0.368 5.009 4.640 0.000 0.000 0.245 86 D C -0.630 175.415 176.300 -0.426 0.000 1.196 86 D CA 0.162 54.048 54.000 -0.190 0.000 0.962 86 D CB 0.454 41.215 40.800 -0.065 0.000 1.127 86 D HN 0.417 nan 8.370 nan 0.000 0.471 87 F N -0.995 118.929 119.950 -0.043 0.000 2.650 87 F HA 0.262 4.789 4.527 0.000 0.000 0.320 87 F C -0.022 175.853 175.800 0.126 0.000 1.091 87 F CA -1.207 56.800 58.000 0.012 0.000 0.962 87 F CB 1.266 40.222 39.000 -0.074 0.000 1.363 87 F HN 0.249 nan 8.300 nan 0.000 0.482 88 W N 2.042 123.444 121.300 0.170 0.000 2.190 88 W HA 0.205 4.865 4.660 0.001 0.000 0.330 88 W C -0.148 176.406 176.519 0.059 0.000 1.299 88 W CA -0.310 57.082 57.345 0.079 0.000 1.215 88 W CB 0.860 30.357 29.460 0.061 0.000 1.147 88 W HN 0.444 nan 8.180 nan 0.000 0.563 89 E N 2.328 121.981 120.200 -0.912 0.000 2.414 89 E HA -0.041 4.310 4.350 0.000 0.000 0.263 89 E C 0.902 177.163 176.600 -0.566 0.000 1.000 89 E CA 0.062 56.061 56.400 -0.667 0.000 0.914 89 E CB 1.133 30.451 29.700 -0.638 0.000 0.948 89 E HN 0.315 nan 8.360 nan 0.000 0.444 90 V N 2.827 122.590 119.914 -0.252 0.000 2.266 90 V HA -0.247 3.873 4.120 0.000 0.000 0.234 90 V C 0.948 176.996 176.094 -0.077 0.000 1.008 90 V CA 1.504 63.739 62.300 -0.107 0.000 0.999 90 V CB -0.321 31.472 31.823 -0.050 0.000 0.650 90 V HN 0.642 nan 8.190 nan 0.000 0.477 91 Q N -0.353 119.439 119.800 -0.013 0.000 2.256 91 Q HA 0.393 4.733 4.340 0.000 0.000 0.257 91 Q C 0.578 176.561 176.000 -0.028 0.000 0.936 91 Q CA -0.259 55.563 55.803 0.031 0.000 0.903 91 Q CB 1.895 30.723 28.738 0.150 0.000 1.263 91 Q HN 0.448 nan 8.270 nan 0.000 0.440 92 L N 0.211 121.422 121.223 -0.019 0.000 2.492 92 L HA 0.224 4.564 4.340 0.000 0.000 0.223 92 L C 1.071 177.938 176.870 -0.005 0.000 1.132 92 L CA 0.348 55.166 54.840 -0.038 0.000 0.850 92 L CB -0.020 42.045 42.059 0.011 0.000 0.966 92 L HN 0.648 nan 8.230 nan 0.000 0.454 93 G N -0.465 108.349 108.800 0.024 0.000 2.489 93 G HA2 0.555 4.515 3.960 0.000 0.000 0.305 93 G HA3 0.555 4.515 3.960 0.000 0.000 0.305 93 G C -1.869 173.054 174.900 0.038 0.000 1.311 93 G CA -0.544 44.567 45.100 0.019 0.000 0.813 93 G HN -0.125 nan 8.290 nan 0.000 0.480 94 I N 1.420 121.995 120.570 0.009 0.000 2.533 94 I HA 0.376 4.546 4.170 0.000 0.000 0.290 94 I C -2.126 173.976 176.117 -0.025 0.000 1.056 94 I CA -1.802 59.494 61.300 -0.006 0.000 1.057 94 I CB 2.755 40.710 38.000 -0.075 0.000 1.240 94 I HN 0.257 nan 8.210 nan 0.000 0.423 95 P HA 0.131 nan 4.420 nan 0.000 0.270 95 P C -1.052 176.177 177.300 -0.118 0.000 1.223 95 P CA -0.067 62.937 63.100 -0.160 0.000 0.785 95 P CB 0.382 31.847 31.700 -0.392 0.000 0.923 96 H N 1.787 120.663 119.070 -0.324 0.000 2.469 96 H HA 0.204 4.760 4.556 0.000 0.000 0.342 96 H C -1.865 173.111 175.328 -0.587 0.000 1.115 96 H CA -2.097 53.676 56.048 -0.459 0.000 1.204 96 H CB 1.888 31.367 29.762 -0.471 0.000 1.492 96 H HN 0.181 nan 8.280 nan 0.000 0.499 97 P HA -0.156 nan 4.420 nan 0.000 0.216 97 P C 1.176 178.124 177.300 -0.588 0.000 1.153 97 P CA 2.078 64.564 63.100 -1.023 0.000 0.858 97 P CB 0.060 30.641 31.700 -1.865 0.000 0.789 98 A N -0.430 122.127 122.820 -0.437 0.000 2.093 98 A HA -0.137 4.183 4.320 0.000 0.000 0.222 98 A C 2.277 180.106 177.584 0.409 0.000 1.162 98 A CA 2.051 54.237 52.037 0.249 0.000 0.655 98 A CB -1.695 17.600 19.000 0.491 0.000 0.805 98 A HN 0.344 nan 8.150 nan 0.000 0.461 99 G N -1.409 107.413 108.800 0.036 0.000 2.939 99 G HA2 0.387 4.348 3.960 0.000 0.000 0.210 99 G HA3 0.387 4.348 3.960 0.000 0.000 0.210 99 G C 0.492 175.475 174.900 0.137 0.000 1.160 99 G CA -0.270 44.817 45.100 -0.022 0.000 0.770 99 G HN 0.388 nan 8.290 nan 0.000 0.543 100 L N 0.445 121.725 121.223 0.094 0.000 2.399 100 L HA 0.409 4.749 4.340 0.000 0.000 0.266 100 L C 0.167 177.062 176.870 0.041 0.000 1.114 100 L CA -0.657 54.158 54.840 -0.042 0.000 0.804 100 L CB 1.275 43.176 42.059 -0.264 0.000 1.146 100 L HN -0.058 nan 8.230 nan 0.000 0.451 101 K N 1.443 121.783 120.400 -0.101 0.000 2.098 101 K HA 0.299 4.619 4.320 0.000 0.000 0.261 101 K C -0.498 175.905 176.600 -0.329 0.000 0.987 101 K CA -0.868 55.366 56.287 -0.089 0.000 0.916 101 K CB 1.210 33.675 32.500 -0.058 0.000 1.039 101 K HN 0.445 nan 8.250 nan 0.000 0.455 102 K N 1.625 121.917 120.400 -0.180 0.000 2.219 102 K HA 0.221 4.541 4.320 0.000 0.000 0.258 102 K C -0.488 176.017 176.600 -0.158 0.000 1.008 102 K CA -0.353 55.814 56.287 -0.201 0.000 0.928 102 K CB 0.639 33.208 32.500 0.115 0.000 0.983 102 K HN 0.227 nan 8.250 nan 0.000 0.484 103 K N 2.010 122.329 120.400 -0.134 0.000 2.464 103 K HA 0.168 4.488 4.320 0.000 0.000 0.253 103 K C -0.066 176.508 176.600 -0.043 0.000 0.933 103 K CA -0.742 55.485 56.287 -0.101 0.000 0.801 103 K CB 2.035 34.446 32.500 -0.148 0.000 1.271 103 K HN 0.642 nan 8.250 nan 0.000 0.430 104 K N 0.544 120.911 120.400 -0.055 0.000 2.098 104 K HA 0.023 4.343 4.320 0.000 0.000 0.203 104 K C 0.255 176.819 176.600 -0.060 0.000 1.051 104 K CA 0.901 57.167 56.287 -0.035 0.000 0.957 104 K CB 0.387 32.865 32.500 -0.037 0.000 0.738 104 K HN 0.700 nan 8.250 nan 0.000 0.447 105 S N -0.336 115.263 115.700 -0.168 0.000 2.546 105 S HA 0.510 4.980 4.470 0.000 0.000 0.274 105 S C -0.808 173.571 174.600 -0.368 0.000 1.121 105 S CA -0.987 57.067 58.200 -0.243 0.000 0.887 105 S CB 2.057 65.052 63.200 -0.342 0.000 1.094 105 S HN 0.017 nan 8.310 nan 0.000 0.474 106 V N -0.119 119.701 119.914 -0.157 0.000 3.007 106 V HA 0.963 5.083 4.120 0.000 0.000 0.311 106 V C -1.332 174.770 176.094 0.013 0.000 1.120 106 V CA -0.195 62.014 62.300 -0.153 0.000 0.980 106 V CB 1.896 33.486 31.823 -0.387 0.000 1.033 106 V HN 1.133 nan 8.190 nan 0.000 0.429 107 T N 3.559 118.127 114.554 0.022 0.000 3.032 107 T HA 0.559 4.909 4.350 0.000 0.000 0.312 107 T C -1.171 173.511 174.700 -0.031 0.000 1.078 107 T CA -0.397 61.760 62.100 0.094 0.000 1.028 107 T CB 1.641 70.610 68.868 0.168 0.000 1.091 107 T HN 0.814 nan 8.240 nan 0.000 0.457 108 V N 4.552 124.463 119.914 -0.004 0.000 2.313 108 V HA 0.468 4.588 4.120 0.000 0.000 0.278 108 V C -0.357 175.689 176.094 -0.081 0.000 1.017 108 V CA -0.666 61.573 62.300 -0.101 0.000 0.823 108 V CB 0.816 32.646 31.823 0.012 0.000 1.010 108 V HN 0.692 nan 8.190 nan 0.000 0.443 109 L N 3.902 125.039 121.223 -0.144 0.000 2.334 109 L HA 0.658 4.998 4.340 0.000 0.000 0.275 109 L C -0.387 176.410 176.870 -0.122 0.000 1.036 109 L CA -0.421 54.361 54.840 -0.097 0.000 0.807 109 L CB 1.737 43.742 42.059 -0.090 0.000 1.231 109 L HN 0.585 nan 8.230 nan 0.000 0.438 110 D N 1.292 121.654 120.400 -0.063 0.000 2.502 110 D HA 0.386 5.026 4.640 0.000 0.000 0.249 110 D C -1.011 175.273 176.300 -0.027 0.000 1.092 110 D CA -0.390 53.577 54.000 -0.055 0.000 0.839 110 D CB 1.953 42.733 40.800 -0.032 0.000 1.264 110 D HN 0.088 nan 8.370 nan 0.000 0.511 111 V N 3.575 123.478 119.914 -0.017 0.000 2.488 111 V HA 0.575 4.696 4.120 0.000 0.000 0.277 111 V C 1.249 177.337 176.094 -0.009 0.000 1.046 111 V CA -0.248 62.065 62.300 0.022 0.000 0.986 111 V CB 1.214 33.102 31.823 0.109 0.000 0.989 111 V HN 0.706 nan 8.190 nan 0.000 0.475 112 G N 2.622 111.430 108.800 0.015 0.000 2.395 112 G HA2 0.380 4.341 3.960 0.000 0.000 0.283 112 G HA3 0.380 4.341 3.960 0.000 0.000 0.283 112 G C -0.130 174.778 174.900 0.013 0.000 1.178 112 G CA -0.397 44.703 45.100 0.001 0.000 0.837 112 G HN 0.872 nan 8.290 nan 0.000 0.518 113 D N 0.726 121.107 120.400 -0.032 0.000 2.894 113 D HA -0.245 4.395 4.640 0.000 0.000 0.216 113 D C 1.538 177.827 176.300 -0.018 0.000 1.245 113 D CA 0.799 54.773 54.000 -0.043 0.000 0.728 113 D CB -0.780 40.079 40.800 0.099 0.000 0.924 113 D HN 0.591 nan 8.370 nan 0.000 0.395 114 A N 0.519 123.238 122.820 -0.168 0.000 1.858 114 A HA -0.213 4.107 4.320 0.000 0.000 0.216 114 A C 1.933 179.614 177.584 0.162 0.000 1.190 114 A CA 1.276 53.264 52.037 -0.083 0.000 0.617 114 A CB -0.640 17.991 19.000 -0.615 0.000 0.827 114 A HN 0.609 nan 8.150 nan 0.000 0.443 115 Y N -2.142 118.069 120.300 -0.148 0.000 2.200 115 Y HA -0.191 4.359 4.550 0.000 0.000 0.290 115 Y C 2.266 178.328 175.900 0.269 0.000 1.137 115 Y CA 0.539 58.655 58.100 0.027 0.000 1.163 115 Y CB -0.266 38.116 38.460 -0.131 0.000 0.988 115 Y HN 0.298 nan 8.280 nan 0.000 0.518 116 F N -0.073 120.032 119.950 0.259 0.000 2.451 116 F HA -0.143 4.384 4.527 0.000 0.000 0.299 116 F C 2.108 178.022 175.800 0.190 0.000 1.101 116 F CA 0.586 58.715 58.000 0.215 0.000 1.436 116 F CB -0.972 38.128 39.000 0.167 0.000 1.074 116 F HN -0.132 nan 8.300 nan 0.000 0.553 117 S N -0.609 115.318 115.700 0.377 0.000 2.701 117 S HA 0.179 4.649 4.470 0.000 0.000 0.220 117 S C 0.356 175.116 174.600 0.267 0.000 0.954 117 S CA 0.083 58.454 58.200 0.286 0.000 0.936 117 S CB -0.174 63.181 63.200 0.259 0.000 0.777 117 S HN -0.089 nan 8.310 nan 0.000 0.518 118 V N 3.403 123.492 119.914 0.292 0.000 2.686 118 V HA 0.407 4.527 4.120 0.000 0.000 0.306 118 V C -2.625 173.587 176.094 0.197 0.000 1.065 118 V CA -2.303 60.132 62.300 0.226 0.000 0.894 118 V CB 2.287 34.253 31.823 0.238 0.000 1.004 118 V HN -0.020 nan 8.190 nan 0.000 0.424 119 P HA 0.290 nan 4.420 nan 0.000 0.278 119 P C -0.851 176.525 177.300 0.126 0.000 1.238 119 P CA -0.402 62.780 63.100 0.137 0.000 0.794 119 P CB 1.381 33.151 31.700 0.117 0.000 0.955 120 L N 2.395 123.690 121.223 0.119 0.000 2.312 120 L HA 0.336 4.676 4.340 0.000 0.000 0.281 120 L C 0.107 177.045 176.870 0.113 0.000 1.070 120 L CA -0.458 54.440 54.840 0.097 0.000 0.805 120 L CB 0.073 42.176 42.059 0.074 0.000 1.174 120 L HN 0.238 nan 8.230 nan 0.000 0.434 121 D N 3.284 123.757 120.400 0.122 0.000 2.662 121 D HA -0.111 4.529 4.640 0.000 0.000 0.237 121 D C 1.124 177.518 176.300 0.157 0.000 1.154 121 D CA 0.818 54.904 54.000 0.144 0.000 0.861 121 D CB 0.649 41.553 40.800 0.174 0.000 1.146 121 D HN 0.719 nan 8.370 nan 0.000 0.518 122 E N 2.586 122.856 120.200 0.116 0.000 2.086 122 E HA -0.270 4.080 4.350 0.000 0.000 0.205 122 E C 1.125 177.781 176.600 0.093 0.000 1.027 122 E CA 1.581 58.036 56.400 0.092 0.000 0.830 122 E CB 0.049 29.791 29.700 0.069 0.000 0.751 122 E HN 0.638 nan 8.360 nan 0.000 0.456 123 D N -0.586 119.884 120.400 0.116 0.000 2.271 123 D HA -0.164 4.476 4.640 0.000 0.000 0.207 123 D C 1.472 177.860 176.300 0.146 0.000 0.983 123 D CA 0.860 54.929 54.000 0.115 0.000 0.878 123 D CB -0.138 40.754 40.800 0.154 0.000 0.920 123 D HN 0.160 nan 8.370 nan 0.000 0.479 124 F N 0.790 120.780 119.950 0.068 0.000 2.714 124 F HA 0.155 4.682 4.527 0.000 0.000 0.294 124 F C 2.152 177.967 175.800 0.025 0.000 1.120 124 F CA -0.116 57.961 58.000 0.129 0.000 1.398 124 F CB 0.283 39.351 39.000 0.114 0.000 1.120 124 F HN -0.290 nan 8.300 nan 0.000 0.589 125 R N 1.093 121.632 120.500 0.066 0.000 2.091 125 R HA -0.212 4.128 4.340 0.000 0.000 0.238 125 R C 2.351 178.615 176.300 -0.060 0.000 1.136 125 R CA 1.879 58.002 56.100 0.039 0.000 0.959 125 R CB -0.531 29.808 30.300 0.065 0.000 0.856 125 R HN 0.348 nan 8.270 nan 0.000 0.437 126 K N 0.453 120.742 120.400 -0.185 0.000 2.077 126 K HA -0.251 4.069 4.320 0.000 0.000 0.213 126 K C 1.417 177.886 176.600 -0.219 0.000 1.051 126 K CA 2.139 58.292 56.287 -0.223 0.000 0.929 126 K CB -0.623 31.678 32.500 -0.332 0.000 0.715 126 K HN 0.231 nan 8.250 nan 0.000 0.451 127 Y N 2.062 122.158 120.300 -0.340 0.000 2.616 127 Y HA -0.045 4.505 4.550 0.000 0.000 0.296 127 Y C 2.243 178.036 175.900 -0.178 0.000 1.154 127 Y CA 1.246 59.042 58.100 -0.508 0.000 1.325 127 Y CB -0.381 37.520 38.460 -0.932 0.000 1.007 127 Y HN 0.407 nan 8.280 nan 0.000 0.542 128 T N -2.529 112.072 114.554 0.079 0.000 3.144 128 T HA 0.444 4.794 4.350 0.000 0.000 0.249 128 T C 0.886 175.858 174.700 0.453 0.000 1.089 128 T CA 0.002 62.282 62.100 0.300 0.000 0.989 128 T CB -0.547 68.497 68.868 0.293 0.000 0.992 128 T HN 0.210 nan 8.240 nan 0.000 0.540 129 A N 1.805 124.809 122.820 0.306 0.000 2.540 129 A HA 0.527 4.847 4.320 0.000 0.000 0.239 129 A C 0.015 177.797 177.584 0.330 0.000 1.061 129 A CA -0.415 51.770 52.037 0.246 0.000 0.758 129 A CB -0.475 18.612 19.000 0.146 0.000 0.991 129 A HN 0.743 nan 8.150 nan 0.000 0.502 130 F N -0.560 119.496 119.950 0.177 0.000 2.706 130 F HA 0.880 5.407 4.527 0.000 0.000 0.328 130 F C -0.340 175.537 175.800 0.128 0.000 1.123 130 F CA -1.013 57.075 58.000 0.147 0.000 0.978 130 F CB 1.267 40.358 39.000 0.151 0.000 1.404 130 F HN 0.337 nan 8.300 nan 0.000 0.497 131 T N 2.145 116.781 114.554 0.136 0.000 2.928 131 T HA 0.544 4.894 4.350 0.000 0.000 0.296 131 T C -0.654 174.122 174.700 0.127 0.000 1.000 131 T CA -0.382 61.735 62.100 0.030 0.000 0.989 131 T CB 1.223 70.112 68.868 0.034 0.000 1.005 131 T HN 0.618 nan 8.240 nan 0.000 0.442 132 I N 5.175 125.798 120.570 0.088 0.000 2.337 132 I HA 0.298 4.469 4.170 0.000 0.000 0.291 132 I C -2.046 174.092 176.117 0.034 0.000 1.046 132 I CA -2.274 59.088 61.300 0.104 0.000 1.324 132 I CB 0.655 38.733 38.000 0.130 0.000 1.409 132 I HN 0.282 nan 8.210 nan 0.000 0.494 133 P HA 0.133 nan 4.420 nan 0.000 0.278 133 P C -0.335 176.952 177.300 -0.021 0.000 1.238 133 P CA -0.374 62.725 63.100 -0.000 0.000 0.794 133 P CB 1.096 32.797 31.700 0.003 0.000 0.955 134 S N 2.229 117.908 115.700 -0.035 0.000 2.614 134 S HA 0.322 4.792 4.470 0.000 0.000 0.265 134 S C 0.598 175.170 174.600 -0.046 0.000 1.303 134 S CA -0.749 57.426 58.200 -0.041 0.000 1.000 134 S CB -0.130 63.044 63.200 -0.044 0.000 0.935 134 S HN 0.306 nan 8.310 nan 0.000 0.551 135 I N 2.544 123.087 120.570 -0.045 0.000 2.587 135 I HA 0.035 4.205 4.170 0.000 0.000 0.284 135 I C 0.517 176.604 176.117 -0.050 0.000 1.134 135 I CA 0.188 61.460 61.300 -0.046 0.000 1.410 135 I CB -0.602 37.374 38.000 -0.040 0.000 1.392 135 I HN 0.674 nan 8.210 nan 0.000 0.545 136 N N 4.795 123.459 118.700 -0.060 0.000 2.741 136 N HA -0.250 4.490 4.740 0.000 0.000 0.251 136 N C 0.235 175.694 175.510 -0.084 0.000 1.112 136 N CA 1.008 54.013 53.050 -0.074 0.000 0.750 136 N CB -1.311 37.140 38.487 -0.059 0.000 1.119 136 N HN 0.805 nan 8.380 nan 0.000 0.561 137 N N -0.558 118.093 118.700 -0.081 0.000 2.693 137 N HA -0.214 4.526 4.740 0.000 0.000 0.249 137 N C 0.910 176.382 175.510 -0.065 0.000 1.119 137 N CA 1.500 54.504 53.050 -0.078 0.000 0.717 137 N CB -0.153 38.271 38.487 -0.104 0.000 1.071 137 N HN 0.497 nan 8.380 nan 0.000 0.555 138 E N -1.005 119.161 120.200 -0.056 0.000 2.007 138 E HA -0.100 4.250 4.350 0.000 0.000 0.194 138 E C 1.137 177.710 176.600 -0.045 0.000 0.999 138 E CA 1.957 58.329 56.400 -0.048 0.000 0.811 138 E CB -0.514 29.161 29.700 -0.042 0.000 0.762 138 E HN 0.677 nan 8.360 nan 0.000 0.450 139 T N -0.524 114.003 114.554 -0.045 0.000 2.952 139 T HA 0.484 4.834 4.350 0.000 0.000 0.286 139 T C -2.760 171.912 174.700 -0.048 0.000 1.024 139 T CA -2.431 59.643 62.100 -0.044 0.000 1.029 139 T CB 1.446 70.288 68.868 -0.043 0.000 1.094 139 T HN -0.275 nan 8.240 nan 0.000 0.515 140 P HA 0.201 nan 4.420 nan 0.000 0.261 140 P C 0.687 177.949 177.300 -0.063 0.000 1.173 140 P CA 0.290 63.356 63.100 -0.057 0.000 0.760 140 P CB -0.081 31.581 31.700 -0.062 0.000 0.783 141 G N 3.023 111.786 108.800 -0.061 0.000 2.684 141 G HA2 0.324 4.284 3.960 0.000 0.000 0.255 141 G HA3 0.324 4.284 3.960 0.000 0.000 0.255 141 G C -0.247 174.587 174.900 -0.110 0.000 1.219 141 G CA -0.694 44.367 45.100 -0.066 0.000 0.901 141 G HN 0.450 nan 8.290 nan 0.000 0.548 142 I N 0.510 121.003 120.570 -0.127 0.000 2.365 142 I HA 0.342 4.512 4.170 0.000 0.000 0.291 142 I C 0.235 176.152 176.117 -0.333 0.000 1.004 142 I CA -0.474 60.675 61.300 -0.251 0.000 1.311 142 I CB 1.143 38.997 38.000 -0.243 0.000 1.401 142 I HN 0.176 nan 8.210 nan 0.000 0.491 143 R N 6.179 126.410 120.500 -0.448 0.000 2.445 143 R HA 0.597 4.937 4.340 0.000 0.000 0.308 143 R C -1.483 174.468 176.300 -0.580 0.000 0.961 143 R CA -0.827 55.022 56.100 -0.418 0.000 0.862 143 R CB 1.864 32.010 30.300 -0.257 0.000 1.144 143 R HN 0.526 nan 8.270 nan 0.000 0.447 144 Y N 0.463 120.457 120.300 -0.511 0.000 2.576 144 Y HA 0.292 4.842 4.550 0.000 0.000 0.346 144 Y C 0.209 175.846 175.900 -0.438 0.000 1.018 144 Y CA -0.928 56.886 58.100 -0.476 0.000 1.050 144 Y CB 2.522 40.623 38.460 -0.598 0.000 1.280 144 Y HN 0.487 nan 8.280 nan 0.000 0.474 145 Q N -0.078 119.741 119.800 0.032 0.000 2.501 145 Q HA 0.522 4.862 4.340 0.000 0.000 0.288 145 Q C -2.123 173.966 176.000 0.149 0.000 1.051 145 Q CA -1.133 54.770 55.803 0.167 0.000 0.788 145 Q CB 2.155 30.960 28.738 0.112 0.000 1.469 145 Q HN 0.673 nan 8.270 nan 0.000 0.416 146 Y N 1.127 121.542 120.300 0.191 0.000 2.299 146 Y HA 0.242 4.792 4.550 0.000 0.000 0.326 146 Y C 0.782 176.720 175.900 0.063 0.000 1.164 146 Y CA -0.001 58.167 58.100 0.115 0.000 1.234 146 Y CB 1.090 39.612 38.460 0.104 0.000 1.219 146 Y HN 0.700 nan 8.280 nan 0.000 0.497 147 N N 1.082 119.894 118.700 0.186 0.000 2.220 147 N HA 0.097 4.837 4.740 0.000 0.000 0.195 147 N C -0.640 174.966 175.510 0.159 0.000 1.123 147 N CA 0.410 53.538 53.050 0.130 0.000 0.874 147 N CB 0.954 39.481 38.487 0.067 0.000 0.995 147 N HN 0.372 nan 8.380 nan 0.000 0.498 148 V N -2.828 117.228 119.914 0.237 0.000 3.167 148 V HA 0.486 4.606 4.120 0.000 0.000 0.310 148 V C 0.103 176.346 176.094 0.248 0.000 1.207 148 V CA -1.232 61.215 62.300 0.245 0.000 1.059 148 V CB 1.627 33.615 31.823 0.274 0.000 1.079 148 V HN -0.153 nan 8.190 nan 0.000 0.446 149 L N 3.108 124.466 121.223 0.225 0.000 2.780 149 L HA 0.174 4.514 4.340 0.000 0.000 0.275 149 L C -2.038 174.916 176.870 0.138 0.000 1.153 149 L CA -0.568 54.347 54.840 0.125 0.000 0.993 149 L CB -0.184 41.929 42.059 0.091 0.000 1.319 149 L HN 0.549 nan 8.230 nan 0.000 0.479 150 P HA 0.147 nan 4.420 nan 0.000 0.278 150 P C -0.912 176.395 177.300 0.011 0.000 1.258 150 P CA -0.718 62.234 63.100 -0.247 0.000 0.811 150 P CB 0.768 31.923 31.700 -0.908 0.000 1.063 151 Q N 0.260 120.184 119.800 0.206 0.000 2.279 151 Q HA 0.484 4.824 4.340 0.000 0.000 0.256 151 Q C 0.948 177.107 176.000 0.264 0.000 0.937 151 Q CA 0.807 56.753 55.803 0.238 0.000 0.933 151 Q CB -0.217 28.598 28.738 0.129 0.000 1.189 151 Q HN 0.790 nan 8.270 nan 0.000 0.417 152 G N 2.920 111.840 108.800 0.199 0.000 2.175 152 G HA2 -0.266 3.694 3.960 0.000 0.000 0.244 152 G HA3 -0.266 3.694 3.960 0.000 0.000 0.244 152 G C -0.628 174.380 174.900 0.179 0.000 0.982 152 G CA 0.049 45.282 45.100 0.221 0.000 0.641 152 G HN 0.622 nan 8.290 nan 0.000 0.527 153 W N 1.142 122.276 121.300 -0.277 0.000 2.375 153 W HA 0.685 5.345 4.660 0.000 0.000 0.336 153 W C 1.198 177.531 176.519 -0.309 0.000 1.160 153 W CA -0.731 56.331 57.345 -0.470 0.000 1.266 153 W CB 1.016 29.985 29.460 -0.817 0.000 1.195 153 W HN -0.032 nan 8.180 nan 0.000 0.599 154 K N 1.801 121.591 120.400 -1.018 0.000 2.148 154 K HA -0.056 4.264 4.320 0.000 0.000 0.204 154 K C 1.701 177.626 176.600 -1.125 0.000 1.050 154 K CA 1.723 57.520 56.287 -0.818 0.000 0.942 154 K CB -0.468 31.678 32.500 -0.590 0.000 0.724 154 K HN 0.743 nan 8.250 nan 0.000 0.446 155 G N -0.746 106.827 108.800 -2.045 0.000 2.838 155 G HA2 -0.060 3.900 3.960 0.000 0.000 0.210 155 G HA3 -0.060 3.900 3.960 0.000 0.000 0.210 155 G C 1.206 175.420 174.900 -1.143 0.000 1.153 155 G CA 0.010 43.833 45.100 -2.129 0.000 0.778 155 G HN 0.174 nan 8.290 nan 0.000 0.539 156 S N 1.721 116.951 115.700 -0.784 0.000 2.343 156 S HA -0.053 4.417 4.470 0.000 0.000 0.219 156 S C 0.113 174.326 174.600 -0.644 0.000 1.033 156 S CA 1.377 59.168 58.200 -0.683 0.000 1.014 156 S CB -0.730 61.849 63.200 -1.036 0.000 0.915 156 S HN 0.240 nan 8.310 nan 0.000 0.435 157 P HA -0.185 nan 4.420 nan 0.000 0.216 157 P C 1.471 178.683 177.300 -0.146 0.000 1.167 157 P CA 1.847 64.822 63.100 -0.208 0.000 0.914 157 P CB -0.167 31.403 31.700 -0.216 0.000 0.793 158 A N -0.832 121.804 122.820 -0.307 0.000 1.835 158 A HA -0.198 4.122 4.320 0.000 0.000 0.215 158 A C 2.294 179.796 177.584 -0.136 0.000 1.199 158 A CA 1.829 53.729 52.037 -0.229 0.000 0.615 158 A CB -1.695 17.069 19.000 -0.394 0.000 0.838 158 A HN 0.092 nan 8.150 nan 0.000 0.444 159 I N -1.739 118.701 120.570 -0.218 0.000 2.208 159 I HA -0.272 3.898 4.170 0.000 0.000 0.245 159 I C 2.368 178.482 176.117 -0.004 0.000 1.097 159 I CA 1.740 62.990 61.300 -0.084 0.000 1.363 159 I CB -0.357 37.599 38.000 -0.074 0.000 1.051 159 I HN 0.456 nan 8.210 nan 0.000 0.413 160 F N 1.280 121.169 119.950 -0.102 0.000 2.202 160 F HA -0.272 4.255 4.527 0.000 0.000 0.301 160 F C 2.583 178.373 175.800 -0.017 0.000 1.082 160 F CA 1.678 59.671 58.000 -0.012 0.000 1.313 160 F CB -0.116 38.935 39.000 0.086 0.000 1.024 160 F HN 0.075 nan 8.300 nan 0.000 0.495 161 Q N -0.723 119.093 119.800 0.026 0.000 2.204 161 Q HA -0.104 4.236 4.340 0.000 0.000 0.198 161 Q C 2.580 178.524 176.000 -0.094 0.000 0.946 161 Q CA 1.231 57.026 55.803 -0.014 0.000 0.859 161 Q CB -0.330 28.444 28.738 0.061 0.000 0.946 161 Q HN 0.459 nan 8.270 nan 0.000 0.474 162 S N 0.398 116.063 115.700 -0.058 0.000 2.359 162 S HA -0.146 4.324 4.470 0.000 0.000 0.224 162 S C 2.098 176.623 174.600 -0.125 0.000 1.035 162 S CA 1.807 59.974 58.200 -0.055 0.000 1.018 162 S CB -0.024 63.169 63.200 -0.011 0.000 0.876 162 S HN 0.275 nan 8.310 nan 0.000 0.448 163 S N 1.529 117.124 115.700 -0.174 0.000 2.351 163 S HA -0.138 4.332 4.470 0.000 0.000 0.220 163 S C 1.882 176.305 174.600 -0.294 0.000 1.035 163 S CA 1.817 59.889 58.200 -0.215 0.000 1.031 163 S CB -0.617 62.450 63.200 -0.222 0.000 0.928 163 S HN 0.653 nan 8.310 nan 0.000 0.433 164 M N 1.922 121.271 119.600 -0.419 0.000 2.202 164 M HA -0.108 4.372 4.480 0.000 0.000 0.262 164 M C 1.812 177.972 176.300 -0.234 0.000 1.063 164 M CA 1.605 56.678 55.300 -0.379 0.000 1.097 164 M CB -1.135 31.175 32.600 -0.483 0.000 1.382 164 M HN 0.196 nan 8.290 nan 0.000 0.413 165 T N 0.115 114.561 114.554 -0.180 0.000 2.857 165 T HA -0.080 4.270 4.350 0.000 0.000 0.266 165 T C 1.791 176.412 174.700 -0.132 0.000 1.048 165 T CA 1.458 63.487 62.100 -0.118 0.000 1.139 165 T CB -0.106 68.725 68.868 -0.061 0.000 0.874 165 T HN 0.449 nan 8.240 nan 0.000 0.455 166 K N 0.602 120.903 120.400 -0.165 0.000 2.097 166 K HA 0.084 4.404 4.320 0.000 0.000 0.206 166 K C 2.114 178.539 176.600 -0.292 0.000 1.049 166 K CA 1.021 57.194 56.287 -0.190 0.000 0.933 166 K CB -0.218 32.168 32.500 -0.190 0.000 0.717 166 K HN 0.316 nan 8.250 nan 0.000 0.442 167 I N 0.793 121.134 120.570 -0.382 0.000 2.493 167 I HA -0.233 3.937 4.170 0.000 0.000 0.254 167 I C 1.846 177.831 176.117 -0.221 0.000 1.160 167 I CA 0.996 61.982 61.300 -0.523 0.000 1.445 167 I CB 0.018 37.737 38.000 -0.468 0.000 1.086 167 I HN 0.126 nan 8.210 nan 0.000 0.433 168 L N -0.036 121.088 121.223 -0.165 0.000 2.375 168 L HA -0.067 4.273 4.340 0.000 0.000 0.215 168 L C 2.384 179.225 176.870 -0.048 0.000 1.108 168 L CA 0.489 55.261 54.840 -0.113 0.000 0.830 168 L CB -0.323 41.668 42.059 -0.114 0.000 0.959 168 L HN 0.208 nan 8.230 nan 0.000 0.457 169 E N 0.975 121.138 120.200 -0.061 0.000 2.065 169 E HA -0.254 4.096 4.350 0.000 0.000 0.201 169 E C -0.631 175.970 176.600 0.002 0.000 1.016 169 E CA 2.134 58.518 56.400 -0.027 0.000 0.818 169 E CB -0.624 29.051 29.700 -0.041 0.000 0.749 169 E HN 0.307 nan 8.360 nan 0.000 0.453 170 P HA -0.173 nan 4.420 nan 0.000 0.215 170 P C 1.507 178.813 177.300 0.010 0.000 1.157 170 P CA 1.174 64.299 63.100 0.042 0.000 0.863 170 P CB -0.382 31.400 31.700 0.137 0.000 0.787 171 F N 1.708 121.521 119.950 -0.228 0.000 2.161 171 F HA -0.170 4.357 4.527 0.000 0.000 0.300 171 F C 2.362 178.072 175.800 -0.150 0.000 1.089 171 F CA 1.464 59.290 58.000 -0.290 0.000 1.282 171 F CB -0.458 38.207 39.000 -0.559 0.000 1.010 171 F HN -0.260 nan 8.300 nan 0.000 0.485 172 R N 0.475 121.067 120.500 0.155 0.000 2.061 172 R HA -0.136 4.204 4.340 0.000 0.000 0.230 172 R C 2.202 178.486 176.300 -0.027 0.000 1.140 172 R CA 1.697 57.853 56.100 0.092 0.000 0.940 172 R CB -0.637 29.712 30.300 0.082 0.000 0.839 172 R HN 0.241 nan 8.270 nan 0.000 0.429 173 K N 0.758 121.142 120.400 -0.026 0.000 2.032 173 K HA -0.232 4.088 4.320 0.000 0.000 0.218 173 K C 2.228 178.774 176.600 -0.090 0.000 1.054 173 K CA 1.708 57.969 56.287 -0.043 0.000 0.941 173 K CB -0.139 32.346 32.500 -0.025 0.000 0.720 173 K HN 0.174 nan 8.250 nan 0.000 0.449 174 Q N 0.262 119.972 119.800 -0.149 0.000 2.291 174 Q HA -0.052 4.288 4.340 0.000 0.000 0.206 174 Q C 0.079 175.916 176.000 -0.272 0.000 0.976 174 Q CA 0.928 56.606 55.803 -0.208 0.000 0.875 174 Q CB 0.070 28.650 28.738 -0.265 0.000 0.927 174 Q HN 0.399 nan 8.270 nan 0.000 0.450 175 N N 0.137 118.652 118.700 -0.308 0.000 2.723 175 N HA 0.155 4.895 4.740 0.000 0.000 0.290 175 N C -2.316 173.131 175.510 -0.104 0.000 1.882 175 N CA -0.969 51.925 53.050 -0.260 0.000 0.851 175 N CB 1.398 39.617 38.487 -0.445 0.000 1.234 175 N HN -0.005 nan 8.380 nan 0.000 0.491 176 P HA -0.080 nan 4.420 nan 0.000 0.220 176 P C 0.840 178.134 177.300 -0.011 0.000 1.148 176 P CA 0.993 64.076 63.100 -0.029 0.000 0.803 176 P CB 0.491 32.174 31.700 -0.029 0.000 0.782 177 D N -0.138 120.253 120.400 -0.015 0.000 2.088 177 D HA -0.108 4.532 4.640 0.000 0.000 0.191 177 D C 1.086 177.398 176.300 0.019 0.000 0.992 177 D CA 0.821 54.821 54.000 -0.000 0.000 0.831 177 D CB -0.939 39.862 40.800 0.002 0.000 0.973 177 D HN 0.102 nan 8.370 nan 0.000 0.447 178 I N 0.302 120.897 120.570 0.043 0.000 2.948 178 I HA -0.069 4.101 4.170 0.000 0.000 0.290 178 I C 0.083 176.247 176.117 0.079 0.000 1.226 178 I CA 0.497 61.848 61.300 0.085 0.000 1.413 178 I CB 0.736 38.826 38.000 0.150 0.000 1.352 178 I HN -0.292 nan 8.210 nan 0.000 0.597 179 V N 7.243 127.200 119.914 0.072 0.000 2.876 179 V HA 0.596 4.716 4.120 0.000 0.000 0.312 179 V C -0.743 175.387 176.094 0.060 0.000 1.085 179 V CA -0.638 61.694 62.300 0.055 0.000 0.945 179 V CB 2.136 33.967 31.823 0.013 0.000 1.017 179 V HN 0.499 nan 8.190 nan 0.000 0.428 180 I N 4.937 125.548 120.570 0.070 0.000 2.569 180 I HA 0.403 4.573 4.170 0.000 0.000 0.290 180 I C -1.868 174.328 176.117 0.132 0.000 1.088 180 I CA -0.724 60.619 61.300 0.071 0.000 1.047 180 I CB 2.174 40.181 38.000 0.013 0.000 1.237 180 I HN 0.677 nan 8.210 nan 0.000 0.421 181 Y N 6.041 126.375 120.300 0.057 0.000 2.331 181 Y HA 0.370 4.920 4.550 0.000 0.000 0.334 181 Y C -0.519 175.523 175.900 0.237 0.000 0.960 181 Y CA -0.632 57.523 58.100 0.090 0.000 1.130 181 Y CB 1.509 39.954 38.460 -0.024 0.000 1.164 181 Y HN 0.542 nan 8.280 nan 0.000 0.458 182 Q N 6.419 125.973 119.800 -0.409 0.000 2.360 182 Q HA 0.272 4.612 4.340 0.000 0.000 0.254 182 Q C -2.197 173.601 176.000 -0.335 0.000 0.975 182 Q CA -0.614 55.047 55.803 -0.236 0.000 0.912 182 Q CB 0.677 29.334 28.738 -0.136 0.000 1.212 182 Q HN 0.760 nan 8.270 nan 0.000 0.452 183 Y N 6.426 126.615 120.300 -0.185 0.000 2.354 183 Y HA 0.307 4.857 4.550 0.000 0.000 0.330 183 Y C -0.013 175.942 175.900 0.091 0.000 1.011 183 Y CA -0.495 57.584 58.100 -0.035 0.000 1.099 183 Y CB 0.734 39.280 38.460 0.143 0.000 1.179 183 Y HN 0.965 nan 8.280 nan 0.000 0.442 184 M N 1.480 120.844 119.600 -0.394 0.000 7.319 184 M HA -0.401 4.079 4.480 0.000 0.000 0.313 184 M C 0.338 176.548 176.300 -0.150 0.000 0.480 184 M CA 2.084 57.158 55.300 -0.377 0.000 1.311 184 M CB -0.851 31.383 32.600 -0.609 0.000 0.421 184 M HN 0.643 nan 8.290 nan 0.000 0.852 185 D N 1.017 121.266 120.400 -0.250 0.000 2.378 185 D HA 0.084 4.724 4.640 0.000 0.000 0.227 185 D C -0.070 176.201 176.300 -0.049 0.000 1.012 185 D CA 0.904 54.786 54.000 -0.197 0.000 0.905 185 D CB -0.368 40.275 40.800 -0.262 0.000 0.895 185 D HN 0.327 nan 8.370 nan 0.000 0.532 186 D N 0.216 120.607 120.400 -0.016 0.000 2.228 186 D HA 0.377 5.017 4.640 0.000 0.000 0.247 186 D C -0.213 176.039 176.300 -0.080 0.000 0.995 186 D CA -0.522 53.428 54.000 -0.084 0.000 0.903 186 D CB 2.061 42.810 40.800 -0.086 0.000 1.205 186 D HN -0.180 nan 8.370 nan 0.000 0.459 187 L N 1.423 122.505 121.223 -0.235 0.000 2.365 187 L HA 0.376 4.716 4.340 0.000 0.000 0.273 187 L C -1.146 175.519 176.870 -0.342 0.000 1.000 187 L CA -0.833 53.908 54.840 -0.164 0.000 0.819 187 L CB 1.169 43.157 42.059 -0.117 0.000 1.284 187 L HN 0.299 nan 8.230 nan 0.000 0.418 188 Y N 2.484 122.792 120.300 0.014 0.000 2.338 188 Y HA 0.626 5.176 4.550 0.000 0.000 0.328 188 Y C -0.160 175.709 175.900 -0.051 0.000 0.965 188 Y CA -0.862 57.227 58.100 -0.019 0.000 1.208 188 Y CB 1.841 40.305 38.460 0.007 0.000 1.132 188 Y HN 0.203 nan 8.280 nan 0.000 0.469 189 V N 2.675 122.599 119.914 0.016 0.000 2.581 189 V HA 0.959 5.079 4.120 0.000 0.000 0.303 189 V C 0.212 176.337 176.094 0.052 0.000 1.041 189 V CA -0.683 61.636 62.300 0.030 0.000 0.907 189 V CB 1.695 33.525 31.823 0.013 0.000 0.994 189 V HN 0.876 nan 8.190 nan 0.000 0.442 190 G N 1.934 110.773 108.800 0.065 0.000 2.704 190 G HA2 0.780 4.741 3.960 0.000 0.000 0.293 190 G HA3 0.780 4.741 3.960 0.000 0.000 0.293 190 G C -0.978 173.955 174.900 0.055 0.000 1.421 190 G CA -0.021 45.093 45.100 0.022 0.000 0.870 190 G HN 1.143 nan 8.290 nan 0.000 0.492 191 S N -0.727 114.967 115.700 -0.009 0.000 2.587 191 S HA 0.525 4.995 4.470 0.000 0.000 0.269 191 S C -1.568 172.996 174.600 -0.059 0.000 1.154 191 S CA -0.797 57.412 58.200 0.015 0.000 0.824 191 S CB 2.268 65.562 63.200 0.157 0.000 1.118 191 S HN 0.332 nan 8.310 nan 0.000 0.462 192 D N 1.400 121.784 120.400 -0.025 0.000 3.071 192 D HA 0.378 5.018 4.640 0.000 0.000 0.259 192 D C -0.277 176.018 176.300 -0.008 0.000 1.331 192 D CA 0.069 54.051 54.000 -0.030 0.000 0.861 192 D CB 0.063 40.848 40.800 -0.024 0.000 1.059 192 D HN 0.392 nan 8.370 nan 0.000 0.486 193 L N 0.400 121.625 121.223 0.003 0.000 2.358 193 L HA 0.328 4.668 4.340 0.000 0.000 0.268 193 L C 0.438 177.319 176.870 0.019 0.000 1.032 193 L CA -0.955 53.908 54.840 0.040 0.000 0.805 193 L CB 1.214 43.340 42.059 0.112 0.000 1.253 193 L HN -0.139 nan 8.230 nan 0.000 0.452 194 E N 0.181 120.406 120.200 0.041 0.000 2.283 194 E HA 0.193 4.543 4.350 0.000 0.000 0.271 194 E C 0.613 177.252 176.600 0.066 0.000 1.031 194 E CA -0.476 55.945 56.400 0.034 0.000 0.868 194 E CB 1.443 31.160 29.700 0.029 0.000 1.094 194 E HN 0.406 nan 8.360 nan 0.000 0.401 195 I N 1.262 121.867 120.570 0.058 0.000 2.399 195 I HA -0.239 3.932 4.170 0.000 0.000 0.254 195 I C 1.636 177.826 176.117 0.122 0.000 1.146 195 I CA 1.896 63.250 61.300 0.091 0.000 1.412 195 I CB 0.020 38.063 38.000 0.072 0.000 1.076 195 I HN 0.748 nan 8.210 nan 0.000 0.432 196 G N -1.467 107.385 108.800 0.087 0.000 2.459 196 G HA2 -0.141 3.819 3.960 0.000 0.000 0.213 196 G HA3 -0.141 3.819 3.960 0.000 0.000 0.213 196 G C 1.504 176.448 174.900 0.073 0.000 1.155 196 G CA -0.027 45.117 45.100 0.073 0.000 0.811 196 G HN 0.329 nan 8.290 nan 0.000 0.534 197 Q N -0.585 119.262 119.800 0.079 0.000 2.224 197 Q HA -0.097 4.243 4.340 0.000 0.000 0.203 197 Q C 2.037 178.097 176.000 0.100 0.000 0.970 197 Q CA 0.705 56.551 55.803 0.072 0.000 0.865 197 Q CB -0.190 28.585 28.738 0.061 0.000 0.922 197 Q HN 0.706 nan 8.270 nan 0.000 0.445 198 H N 0.440 119.529 119.070 0.031 0.000 2.284 198 H HA -0.014 4.542 4.556 0.000 0.000 0.304 198 H C 1.886 177.240 175.328 0.043 0.000 1.069 198 H CA 1.084 57.154 56.048 0.038 0.000 1.327 198 H CB 0.265 30.049 29.762 0.037 0.000 1.387 198 H HN 0.095 nan 8.280 nan 0.000 0.498 199 R N -0.254 120.273 120.500 0.045 0.000 2.170 199 R HA -0.114 4.226 4.340 0.000 0.000 0.242 199 R C 2.276 178.551 176.300 -0.042 0.000 1.145 199 R CA 1.709 57.794 56.100 -0.026 0.000 0.984 199 R CB -0.148 30.180 30.300 0.047 0.000 0.869 199 R HN 0.385 nan 8.270 nan 0.000 0.455 200 T N 0.369 114.918 114.554 -0.009 0.000 2.770 200 T HA -0.093 4.257 4.350 0.000 0.000 0.263 200 T C 1.666 176.367 174.700 0.001 0.000 1.039 200 T CA 1.084 63.185 62.100 0.003 0.000 1.142 200 T CB -0.015 68.864 68.868 0.019 0.000 0.868 200 T HN 0.105 nan 8.240 nan 0.000 0.435 201 K N 0.678 121.073 120.400 -0.008 0.000 2.209 201 K HA -0.015 4.305 4.320 0.000 0.000 0.204 201 K C 1.938 178.559 176.600 0.034 0.000 1.048 201 K CA 0.723 57.030 56.287 0.033 0.000 0.940 201 K CB -0.288 32.234 32.500 0.037 0.000 0.729 201 K HN 0.169 nan 8.250 nan 0.000 0.451 202 I N 1.489 121.988 120.570 -0.118 0.000 2.163 202 I HA -0.243 3.927 4.170 0.000 0.000 0.243 202 I C 1.988 178.082 176.117 -0.038 0.000 1.085 202 I CA 1.492 62.714 61.300 -0.130 0.000 1.347 202 I CB -1.028 36.855 38.000 -0.195 0.000 1.044 202 I HN 0.259 nan 8.210 nan 0.000 0.408 203 E N 0.857 121.050 120.200 -0.013 0.000 2.077 203 E HA -0.220 4.130 4.350 0.000 0.000 0.193 203 E C 2.074 178.720 176.600 0.075 0.000 0.989 203 E CA 1.075 57.486 56.400 0.019 0.000 0.800 203 E CB -0.226 29.484 29.700 0.017 0.000 0.746 203 E HN 0.577 nan 8.360 nan 0.000 0.452 204 E N 0.715 120.991 120.200 0.126 0.000 2.118 204 E HA -0.192 4.159 4.350 0.000 0.000 0.195 204 E C 2.205 179.000 176.600 0.324 0.000 0.992 204 E CA 0.754 57.284 56.400 0.218 0.000 0.804 204 E CB -0.176 29.655 29.700 0.220 0.000 0.741 204 E HN 0.083 nan 8.360 nan 0.000 0.458 205 L N 1.120 122.497 121.223 0.255 0.000 1.976 205 L HA -0.204 4.137 4.340 0.000 0.000 0.209 205 L C 2.332 179.197 176.870 -0.010 0.000 1.071 205 L CA 1.692 56.457 54.840 -0.125 0.000 0.746 205 L CB -0.106 41.646 42.059 -0.511 0.000 0.890 205 L HN -0.074 nan 8.230 nan 0.000 0.432 206 R N -0.954 119.540 120.500 -0.011 0.000 2.103 206 R HA -0.225 4.115 4.340 0.000 0.000 0.242 206 R C 2.390 178.724 176.300 0.058 0.000 1.142 206 R CA 1.771 57.877 56.100 0.010 0.000 0.960 206 R CB -0.526 29.773 30.300 -0.002 0.000 0.858 206 R HN 0.526 nan 8.270 nan 0.000 0.439 207 Q N -0.157 119.693 119.800 0.083 0.000 2.079 207 Q HA -0.203 4.137 4.340 0.000 0.000 0.200 207 Q C 1.963 178.038 176.000 0.124 0.000 0.974 207 Q CA 1.716 57.571 55.803 0.087 0.000 0.840 207 Q CB -0.161 28.629 28.738 0.086 0.000 0.898 207 Q HN 0.507 nan 8.270 nan 0.000 0.430 208 H N 0.075 119.214 119.070 0.115 0.000 2.352 208 H HA -0.100 4.456 4.556 0.000 0.000 0.299 208 H C 2.058 177.514 175.328 0.213 0.000 1.097 208 H CA 1.781 57.943 56.048 0.189 0.000 1.311 208 H CB -0.057 29.847 29.762 0.238 0.000 1.377 208 H HN 0.133 nan 8.280 nan 0.000 0.504 209 L N -0.405 120.949 121.223 0.217 0.000 2.044 209 L HA -0.138 4.202 4.340 0.000 0.000 0.205 209 L C 2.580 179.531 176.870 0.134 0.000 1.075 209 L CA 0.864 55.805 54.840 0.169 0.000 0.747 209 L CB -0.450 41.660 42.059 0.086 0.000 0.903 209 L HN 0.310 nan 8.230 nan 0.000 0.435 210 L N -0.275 120.997 121.223 0.081 0.000 2.051 210 L HA -0.290 4.050 4.340 0.000 0.000 0.214 210 L C 2.794 179.664 176.870 0.001 0.000 1.076 210 L CA 1.276 56.144 54.840 0.047 0.000 0.758 210 L CB -0.480 41.595 42.059 0.027 0.000 0.890 210 L HN 0.293 nan 8.230 nan 0.000 0.433 211 R N -1.033 119.437 120.500 -0.050 0.000 2.355 211 R HA -0.202 4.138 4.340 0.000 0.000 0.219 211 R C 0.789 176.840 176.300 -0.416 0.000 1.107 211 R CA 1.259 57.220 56.100 -0.231 0.000 1.021 211 R CB -0.042 30.078 30.300 -0.300 0.000 0.852 211 R HN 0.436 nan 8.270 nan 0.000 0.475 212 W N -1.484 119.754 121.300 -0.104 0.000 2.499 212 W HA 0.280 4.941 4.660 0.000 0.000 0.362 212 W C 0.816 177.319 176.519 -0.025 0.000 0.945 212 W CA 0.336 57.637 57.345 -0.073 0.000 1.721 212 W CB 1.142 30.544 29.460 -0.097 0.000 1.156 212 W HN 0.185 nan 8.180 nan 0.000 0.547 213 G N 0.837 109.728 108.800 0.151 0.000 2.163 213 G HA2 -0.236 3.724 3.960 0.000 0.000 0.213 213 G HA3 -0.236 3.724 3.960 0.000 0.000 0.213 213 G C -0.427 174.552 174.900 0.131 0.000 0.991 213 G CA -0.461 44.713 45.100 0.123 0.000 0.653 213 G HN 0.095 nan 8.290 nan 0.000 0.518 214 L N 1.956 123.257 121.223 0.130 0.000 2.343 214 L HA 0.638 4.978 4.340 0.000 0.000 0.278 214 L C 0.618 177.542 176.870 0.089 0.000 0.996 214 L CA -0.387 54.524 54.840 0.119 0.000 0.831 214 L CB 1.946 44.075 42.059 0.115 0.000 1.232 214 L HN 0.269 nan 8.230 nan 0.000 0.413 215 T N 0.375 114.978 114.554 0.082 0.000 2.934 215 T HA 0.734 5.085 4.350 0.000 0.000 0.283 215 T C -0.046 174.684 174.700 0.050 0.000 1.005 215 T CA -0.169 61.968 62.100 0.062 0.000 1.041 215 T CB 1.900 70.804 68.868 0.061 0.000 1.042 215 T HN 0.732 nan 8.240 nan 0.000 0.505 216 T N 0.862 115.439 114.554 0.038 0.000 2.812 216 T HA 0.797 5.147 4.350 0.000 0.000 0.294 216 T C -2.987 171.736 174.700 0.037 0.000 1.159 216 T CA -1.354 60.762 62.100 0.027 0.000 1.008 216 T CB 1.180 70.053 68.868 0.009 0.000 1.289 216 T HN 0.648 nan 8.240 nan 0.000 0.514 217 P HA 0.511 nan 4.420 nan 0.000 0.281 217 P C -0.852 176.468 177.300 0.034 0.000 1.264 217 P CA -0.264 62.893 63.100 0.095 0.000 0.824 217 P CB 0.461 32.239 31.700 0.131 0.000 1.092 218 D N 0.132 120.538 120.400 0.010 0.000 2.360 218 D HA 0.021 4.662 4.640 0.000 0.000 0.242 218 D C 1.366 177.383 176.300 -0.470 0.000 1.184 218 D CA -0.202 53.643 54.000 -0.259 0.000 0.930 218 D CB 0.623 41.302 40.800 -0.202 0.000 1.161 218 D HN 0.116 nan 8.370 nan 0.000 0.447 219 K N 0.577 120.804 120.400 -0.288 0.000 2.442 219 K HA -0.131 4.189 4.320 0.000 0.000 0.200 219 K C 0.095 176.590 176.600 -0.175 0.000 1.045 219 K CA 1.217 57.399 56.287 -0.175 0.000 0.937 219 K CB 0.064 32.508 32.500 -0.093 0.000 0.757 219 K HN 0.322 nan 8.250 nan 0.000 0.474 220 K N 0.237 120.441 120.400 -0.327 0.000 3.165 220 K HA 0.095 4.415 4.320 0.000 0.000 0.206 220 K C -0.824 175.808 176.600 0.054 0.000 1.123 220 K CA -0.134 56.084 56.287 -0.115 0.000 0.978 220 K CB 0.676 33.172 32.500 -0.007 0.000 0.749 220 K HN 0.026 nan 8.250 nan 0.000 0.454 221 H N 0.428 119.519 119.070 0.035 0.000 2.528 221 H HA 0.303 4.859 4.556 0.000 0.000 0.256 221 H C -0.727 174.627 175.328 0.043 0.000 1.204 221 H CA -0.370 55.698 56.048 0.033 0.000 0.955 221 H CB 0.245 30.022 29.762 0.025 0.000 1.817 221 H HN 0.166 nan 8.280 nan 0.000 0.579 222 Q N 0.604 120.482 119.800 0.130 0.000 2.315 222 Q HA 0.391 4.731 4.340 0.000 0.000 0.273 222 Q C -0.432 175.652 176.000 0.140 0.000 1.053 222 Q CA -0.793 55.082 55.803 0.120 0.000 0.817 222 Q CB 2.853 31.644 28.738 0.088 0.000 1.326 222 Q HN 0.135 nan 8.270 nan 0.000 0.423 223 K N 0.990 121.503 120.400 0.188 0.000 2.187 223 K HA 0.204 4.525 4.320 0.000 0.000 0.247 223 K C -0.223 176.454 176.600 0.128 0.000 1.019 223 K CA -0.233 56.146 56.287 0.153 0.000 0.893 223 K CB 0.571 33.190 32.500 0.198 0.000 1.025 223 K HN 0.467 nan 8.250 nan 0.000 0.500 224 E N 1.315 121.463 120.200 -0.087 0.000 2.343 224 E HA 0.324 4.675 4.350 0.000 0.000 0.270 224 E C -2.548 173.752 176.600 -0.500 0.000 0.895 224 E CA -2.343 53.972 56.400 -0.141 0.000 0.767 224 E CB 1.552 31.234 29.700 -0.030 0.000 1.248 224 E HN 0.279 nan 8.360 nan 0.000 0.440 225 P HA 0.143 nan 4.420 nan 0.000 0.269 225 P C -2.389 174.756 177.300 -0.259 0.000 1.217 225 P CA -0.865 61.969 63.100 -0.443 0.000 0.783 225 P CB -0.456 31.224 31.700 -0.034 0.000 0.898 226 P HA 0.255 nan 4.420 nan 0.000 0.281 226 P C -0.729 176.348 177.300 -0.371 0.000 1.252 226 P CA -0.235 62.633 63.100 -0.387 0.000 0.778 226 P CB 0.294 31.676 31.700 -0.530 0.000 0.895 227 F N 2.024 121.973 119.950 -0.002 0.000 2.484 227 F HA 0.191 4.718 4.527 0.000 0.000 0.360 227 F C 1.062 176.965 175.800 0.171 0.000 1.101 227 F CA -0.102 57.964 58.000 0.111 0.000 1.251 227 F CB 0.285 39.377 39.000 0.152 0.000 1.132 227 F HN 0.052 nan 8.300 nan 0.000 0.570 228 L N 3.239 124.674 121.223 0.353 0.000 2.272 228 L HA 0.313 4.653 4.340 0.000 0.000 0.289 228 L C -1.211 175.910 176.870 0.419 0.000 1.032 228 L CA -0.504 54.525 54.840 0.314 0.000 0.810 228 L CB 1.092 43.265 42.059 0.189 0.000 1.205 228 L HN 0.732 nan 8.230 nan 0.000 0.422 229 W N 6.687 128.109 121.300 0.203 0.000 2.934 229 W HA 0.400 5.060 4.660 0.000 0.000 0.333 229 W C -0.152 176.461 176.519 0.156 0.000 1.035 229 W CA -1.029 56.412 57.345 0.160 0.000 1.256 229 W CB 1.293 30.815 29.460 0.104 0.000 1.306 229 W HN 0.502 nan 8.180 nan 0.000 0.430 230 M N 5.690 124.867 119.600 -0.706 0.000 2.302 230 M HA -0.149 4.331 4.480 0.000 0.000 0.200 230 M C 1.273 177.309 176.300 -0.439 0.000 0.366 230 M CA 2.036 56.877 55.300 -0.766 0.000 0.440 230 M CB -1.018 30.614 32.600 -1.614 0.000 1.475 230 M HN 1.459 nan 8.290 nan 0.000 0.905 231 G N -1.865 106.754 108.800 -0.301 0.000 2.155 231 G HA2 -0.316 3.645 3.960 0.000 0.000 0.257 231 G HA3 -0.316 3.645 3.960 0.000 0.000 0.257 231 G C -0.227 174.596 174.900 -0.129 0.000 0.983 231 G CA 0.588 45.546 45.100 -0.236 0.000 0.676 231 G HN 0.702 nan 8.290 nan 0.000 0.528 232 Y N -0.647 119.835 120.300 0.304 0.000 2.567 232 Y HA 0.699 5.250 4.550 0.000 0.000 0.333 232 Y C 0.532 176.642 175.900 0.349 0.000 1.106 232 Y CA -1.305 57.019 58.100 0.373 0.000 1.157 232 Y CB 1.370 40.049 38.460 0.366 0.000 1.277 232 Y HN 0.078 nan 8.280 nan 0.000 0.490 233 E N 2.108 122.622 120.200 0.523 0.000 2.149 233 E HA 0.405 4.755 4.350 0.000 0.000 0.255 233 E C -1.770 175.068 176.600 0.397 0.000 0.888 233 E CA -0.272 56.349 56.400 0.367 0.000 0.742 233 E CB 0.532 30.415 29.700 0.306 0.000 1.164 233 E HN 0.566 nan 8.360 nan 0.000 0.422 234 L N 4.528 125.957 121.223 0.343 0.000 2.282 234 L HA 0.460 4.800 4.340 0.000 0.000 0.288 234 L C -0.370 176.641 176.870 0.235 0.000 1.033 234 L CA -0.605 54.478 54.840 0.406 0.000 0.807 234 L CB 0.921 43.208 42.059 0.380 0.000 1.209 234 L HN 0.604 nan 8.230 nan 0.000 0.423 235 H N 2.387 121.711 119.070 0.424 0.000 2.812 235 H HA 0.348 4.904 4.556 0.000 0.000 0.355 235 H C -1.846 173.709 175.328 0.378 0.000 1.207 235 H CA -1.595 54.655 56.048 0.337 0.000 1.217 235 H CB 1.075 30.979 29.762 0.236 0.000 1.874 235 H HN 0.251 nan 8.280 nan 0.000 0.581 236 P HA -0.099 nan 4.420 nan 0.000 0.217 236 P C 0.324 177.846 177.300 0.370 0.000 1.151 236 P CA 1.519 64.795 63.100 0.294 0.000 0.828 236 P CB 0.348 32.161 31.700 0.190 0.000 0.788 237 D N -1.610 119.019 120.400 0.382 0.000 2.571 237 D HA 0.101 4.741 4.640 0.000 0.000 0.239 237 D C 0.234 176.676 176.300 0.237 0.000 1.267 237 D CA -0.150 54.066 54.000 0.360 0.000 0.823 237 D CB 0.092 40.994 40.800 0.171 0.000 1.056 237 D HN 0.252 nan 8.370 nan 0.000 0.494 238 K N -1.476 119.050 120.400 0.209 0.000 2.670 238 K HA 0.596 4.916 4.320 0.000 0.000 0.289 238 K C -1.517 175.131 176.600 0.080 0.000 1.045 238 K CA -1.177 55.049 56.287 -0.102 0.000 0.834 238 K CB 1.303 33.746 32.500 -0.096 0.000 1.531 238 K HN 0.085 nan 8.250 nan 0.000 0.376 239 W N -0.333 120.935 121.300 -0.052 0.000 3.161 239 W HA 0.653 5.313 4.660 0.000 0.000 0.314 239 W C -1.869 174.701 176.519 0.084 0.000 1.245 239 W CA -0.403 56.999 57.345 0.096 0.000 1.191 239 W CB 0.961 30.377 29.460 -0.074 0.000 1.392 239 W HN 0.992 nan 8.180 nan 0.000 0.568 240 T N -0.104 114.628 114.554 0.295 0.000 2.663 240 T HA 0.511 4.861 4.350 0.000 0.000 0.302 240 T C -1.439 173.489 174.700 0.381 0.000 1.523 240 T CA 0.374 62.408 62.100 -0.110 0.000 1.011 240 T CB 0.788 69.375 68.868 -0.468 0.000 1.841 240 T HN 1.294 nan 8.240 nan 0.000 0.462 241 V N 0.803 120.872 119.914 0.257 0.000 2.630 241 V HA 0.707 4.827 4.120 0.000 0.000 0.305 241 V C 0.154 176.414 176.094 0.277 0.000 1.046 241 V CA -0.703 61.804 62.300 0.345 0.000 0.934 241 V CB 1.221 33.184 31.823 0.233 0.000 1.003 241 V HN 1.012 nan 8.190 nan 0.000 0.451 242 Q N 2.996 122.960 119.800 0.273 0.000 2.394 242 Q HA 0.163 4.503 4.340 0.000 0.000 0.303 242 Q C -2.251 173.839 176.000 0.151 0.000 1.117 242 Q CA -0.613 55.299 55.803 0.182 0.000 0.966 242 Q CB 0.134 28.941 28.738 0.116 0.000 1.275 242 Q HN 0.643 nan 8.270 nan 0.000 0.429 243 P HA 0.049 nan 4.420 nan 0.000 0.271 243 P C -0.930 176.402 177.300 0.053 0.000 1.220 243 P CA 0.240 63.389 63.100 0.081 0.000 0.768 243 P CB 0.489 32.230 31.700 0.068 0.000 0.848 244 I N 4.282 124.870 120.570 0.031 0.000 2.304 244 I HA 0.197 4.368 4.170 0.000 0.000 0.291 244 I C 0.085 176.193 176.117 -0.014 0.000 1.018 244 I CA -0.471 60.833 61.300 0.007 0.000 1.260 244 I CB 1.242 39.225 38.000 -0.028 0.000 1.390 244 I HN 0.048 nan 8.210 nan 0.000 0.475 245 V N 7.856 127.770 119.914 -0.001 0.000 2.357 245 V HA 0.353 4.473 4.120 0.000 0.000 0.284 245 V C 0.204 176.307 176.094 0.016 0.000 1.018 245 V CA -0.613 61.687 62.300 0.001 0.000 0.841 245 V CB 1.868 33.693 31.823 0.003 0.000 0.991 245 V HN 0.411 nan 8.190 nan 0.000 0.437 246 L N 8.811 130.046 121.223 0.020 0.000 2.278 246 L HA 0.408 4.748 4.340 0.000 0.000 0.287 246 L C -1.920 175.007 176.870 0.095 0.000 1.072 246 L CA -1.686 53.193 54.840 0.065 0.000 0.819 246 L CB 0.682 42.772 42.059 0.052 0.000 1.176 246 L HN 0.412 nan 8.230 nan 0.000 0.435 247 P HA 0.050 nan 4.420 nan 0.000 0.266 247 P C -0.595 176.760 177.300 0.092 0.000 1.195 247 P CA -0.106 63.028 63.100 0.057 0.000 0.768 247 P CB 0.708 32.389 31.700 -0.032 0.000 0.838 248 E N 1.961 122.172 120.200 0.018 0.000 2.152 248 E HA 0.291 4.641 4.350 0.000 0.000 0.285 248 E C -0.252 176.287 176.600 -0.101 0.000 1.043 248 E CA 0.110 56.523 56.400 0.021 0.000 0.839 248 E CB 0.435 30.142 29.700 0.013 0.000 1.069 248 E HN 0.199 nan 8.360 nan 0.000 0.399 249 K N 2.426 122.732 120.400 -0.157 0.000 2.507 249 K HA 0.207 4.527 4.320 0.000 0.000 0.251 249 K C -0.575 175.886 176.600 -0.232 0.000 0.943 249 K CA -0.576 55.456 56.287 -0.426 0.000 0.794 249 K CB 1.324 33.096 32.500 -1.213 0.000 1.188 249 K HN 0.327 nan 8.250 nan 0.000 0.428 250 D N 0.425 120.725 120.400 -0.168 0.000 2.317 250 D HA 0.003 4.643 4.640 0.000 0.000 0.211 250 D C -0.416 175.849 176.300 -0.059 0.000 0.966 250 D CA 0.840 54.807 54.000 -0.056 0.000 0.876 250 D CB 0.465 41.237 40.800 -0.047 0.000 0.927 250 D HN 0.188 nan 8.370 nan 0.000 0.519 251 S N -0.085 115.490 115.700 -0.209 0.000 2.672 251 S HA 0.346 4.817 4.470 0.000 0.000 0.291 251 S C -1.302 173.084 174.600 -0.356 0.000 1.145 251 S CA -0.802 57.314 58.200 -0.140 0.000 1.013 251 S CB 1.204 64.349 63.200 -0.092 0.000 1.017 251 S HN 0.081 nan 8.310 nan 0.000 0.487 252 W N 2.838 124.130 121.300 -0.013 0.000 2.329 252 W HA 0.436 5.096 4.660 0.000 0.000 0.312 252 W C 0.931 177.442 176.519 -0.013 0.000 1.054 252 W CA -0.556 56.781 57.345 -0.014 0.000 1.245 252 W CB 0.980 30.432 29.460 -0.014 0.000 1.255 252 W HN 0.636 nan 8.180 nan 0.000 0.436 253 T N -1.205 113.421 114.554 0.120 0.000 2.849 253 T HA 0.192 4.543 4.350 0.000 0.000 0.284 253 T C 1.055 175.829 174.700 0.124 0.000 1.004 253 T CA -0.757 61.397 62.100 0.090 0.000 1.021 253 T CB 1.307 70.192 68.868 0.029 0.000 1.013 253 T HN 0.208 nan 8.240 nan 0.000 0.527 254 V N 1.966 121.927 119.914 0.078 0.000 2.250 254 V HA -0.257 3.863 4.120 0.000 0.000 0.250 254 V C 2.901 179.034 176.094 0.065 0.000 1.060 254 V CA 2.648 64.986 62.300 0.063 0.000 1.030 254 V CB -1.395 30.449 31.823 0.035 0.000 0.643 254 V HN 1.040 nan 8.190 nan 0.000 0.445 255 N N 0.354 119.083 118.700 0.049 0.000 2.061 255 N HA -0.217 4.523 4.740 0.000 0.000 0.193 255 N C 1.513 177.065 175.510 0.070 0.000 1.030 255 N CA 2.112 55.186 53.050 0.040 0.000 0.856 255 N CB -0.360 38.138 38.487 0.018 0.000 1.023 255 N HN 0.524 nan 8.380 nan 0.000 0.424 256 D N -0.048 120.415 120.400 0.104 0.000 2.104 256 D HA -0.135 4.505 4.640 0.000 0.000 0.194 256 D C 2.056 178.533 176.300 0.296 0.000 0.994 256 D CA 1.156 55.269 54.000 0.189 0.000 0.830 256 D CB -0.276 40.646 40.800 0.203 0.000 0.959 256 D HN 0.442 nan 8.370 nan 0.000 0.452 257 I N 0.900 121.625 120.570 0.259 0.000 2.202 257 I HA -0.270 3.901 4.170 0.000 0.000 0.242 257 I C 2.633 178.784 176.117 0.056 0.000 1.091 257 I CA 0.965 62.334 61.300 0.116 0.000 1.368 257 I CB -0.306 37.722 38.000 0.046 0.000 1.058 257 I HN -0.065 nan 8.210 nan 0.000 0.410 258 Q N 0.970 120.802 119.800 0.053 0.000 2.062 258 Q HA -0.308 4.032 4.340 0.000 0.000 0.209 258 Q C 2.232 178.250 176.000 0.031 0.000 0.996 258 Q CA 2.152 57.973 55.803 0.030 0.000 0.859 258 Q CB -0.159 28.592 28.738 0.023 0.000 0.920 258 Q HN 0.441 nan 8.270 nan 0.000 0.415 259 K N 0.261 120.688 120.400 0.044 0.000 2.148 259 K HA -0.082 4.238 4.320 0.000 0.000 0.204 259 K C 2.002 178.627 176.600 0.042 0.000 1.050 259 K CA 0.718 57.024 56.287 0.031 0.000 0.942 259 K CB -0.104 32.412 32.500 0.027 0.000 0.724 259 K HN 0.202 nan 8.250 nan 0.000 0.446 260 L N 0.793 122.059 121.223 0.071 0.000 2.027 260 L HA -0.168 4.173 4.340 0.000 0.000 0.206 260 L C 2.020 178.901 176.870 0.018 0.000 1.074 260 L CA 1.295 56.169 54.840 0.057 0.000 0.745 260 L CB -0.190 41.898 42.059 0.048 0.000 0.898 260 L HN 0.006 nan 8.230 nan 0.000 0.433 261 V N 0.393 120.309 119.914 0.004 0.000 2.332 261 V HA -0.261 3.859 4.120 0.000 0.000 0.248 261 V C 2.728 178.841 176.094 0.031 0.000 1.055 261 V CA 1.861 64.162 62.300 0.002 0.000 1.038 261 V CB -1.584 30.236 31.823 -0.005 0.000 0.651 261 V HN 0.666 nan 8.190 nan 0.000 0.450 262 G N -0.030 108.789 108.800 0.032 0.000 2.513 262 G HA2 -0.309 3.651 3.960 0.000 0.000 0.219 262 G HA3 -0.309 3.651 3.960 0.000 0.000 0.219 262 G C 1.666 176.619 174.900 0.087 0.000 1.160 262 G CA 1.263 46.389 45.100 0.044 0.000 0.767 262 G HN 0.508 nan 8.290 nan 0.000 0.571 263 K N -0.171 120.268 120.400 0.065 0.000 2.062 263 K HA 0.133 4.453 4.320 0.000 0.000 0.205 263 K C 2.596 179.269 176.600 0.123 0.000 1.051 263 K CA 0.690 57.034 56.287 0.096 0.000 0.941 263 K CB -0.293 32.236 32.500 0.047 0.000 0.719 263 K HN 0.268 nan 8.250 nan 0.000 0.440 264 L N 1.288 122.550 121.223 0.064 0.000 1.994 264 L HA -0.228 4.112 4.340 0.000 0.000 0.208 264 L C 2.178 179.093 176.870 0.075 0.000 1.071 264 L CA 1.025 55.887 54.840 0.038 0.000 0.745 264 L CB -0.656 41.404 42.059 0.001 0.000 0.892 264 L HN 0.219 nan 8.230 nan 0.000 0.431 265 N N -0.291 118.466 118.700 0.096 0.000 2.061 265 N HA -0.282 4.459 4.740 0.000 0.000 0.193 265 N C 1.535 177.156 175.510 0.185 0.000 1.030 265 N CA 1.612 54.734 53.050 0.121 0.000 0.856 265 N CB -0.438 38.122 38.487 0.122 0.000 1.023 265 N HN 0.508 nan 8.380 nan 0.000 0.424 266 W N 1.797 123.114 121.300 0.030 0.000 2.363 266 W HA -0.140 4.520 4.660 0.000 0.000 0.296 266 W C 1.921 178.497 176.519 0.095 0.000 1.212 266 W CA 1.558 58.930 57.345 0.044 0.000 1.260 266 W CB -0.125 29.328 29.460 -0.012 0.000 1.131 266 W HN 0.060 nan 8.180 nan 0.000 0.530 267 A N 0.623 123.528 122.820 0.142 0.000 1.969 267 A HA -0.225 4.095 4.320 0.000 0.000 0.218 267 A C 1.944 179.593 177.584 0.107 0.000 1.169 267 A CA 2.096 54.184 52.037 0.085 0.000 0.635 267 A CB -1.250 17.747 19.000 -0.005 0.000 0.810 267 A HN 0.358 nan 8.150 nan 0.000 0.445 268 S N -0.196 115.542 115.700 0.063 0.000 2.595 268 S HA -0.153 4.318 4.470 0.000 0.000 0.235 268 S C 1.443 176.056 174.600 0.021 0.000 0.974 268 S CA 1.021 59.250 58.200 0.048 0.000 0.942 268 S CB -0.539 62.677 63.200 0.028 0.000 0.766 268 S HN 0.717 nan 8.310 nan 0.000 0.536 269 Q N -0.569 119.248 119.800 0.028 0.000 2.436 269 Q HA 0.219 4.559 4.340 0.000 0.000 0.209 269 Q C 1.313 177.413 176.000 0.168 0.000 0.965 269 Q CA 0.763 56.632 55.803 0.110 0.000 0.910 269 Q CB -0.057 28.789 28.738 0.180 0.000 0.980 269 Q HN 0.624 nan 8.270 nan 0.000 0.491 270 I N -2.381 118.214 120.570 0.041 0.000 5.061 270 I HA 0.063 4.234 4.170 0.000 0.000 0.336 270 I C -0.768 175.184 176.117 -0.275 0.000 1.247 270 I CA -0.221 60.974 61.300 -0.173 0.000 1.418 270 I CB 0.868 38.563 38.000 -0.509 0.000 1.467 270 I HN -0.108 nan 8.210 nan 0.000 0.510 271 Y N 4.085 124.321 120.300 -0.107 0.000 2.486 271 Y HA 0.406 4.956 4.550 0.000 0.000 0.348 271 Y C -2.098 173.758 175.900 -0.074 0.000 1.000 271 Y CA -2.216 55.831 58.100 -0.089 0.000 1.253 271 Y CB -0.051 38.366 38.460 -0.071 0.000 1.140 271 Y HN 0.068 nan 8.280 nan 0.000 0.526 272 P HA 0.169 nan 4.420 nan 0.000 0.275 272 P C 0.671 177.977 177.300 0.010 0.000 1.228 272 P CA 0.442 63.536 63.100 -0.010 0.000 0.786 272 P CB 0.993 32.675 31.700 -0.030 0.000 0.927 273 G N 1.683 110.481 108.800 -0.004 0.000 2.168 273 G HA2 -0.226 3.735 3.960 0.000 0.000 0.263 273 G HA3 -0.226 3.735 3.960 0.000 0.000 0.263 273 G C 0.311 175.209 174.900 -0.003 0.000 0.977 273 G CA -0.490 44.607 45.100 -0.005 0.000 0.659 273 G HN 0.451 nan 8.290 nan 0.000 0.533 274 I N 0.419 120.994 120.570 0.008 0.000 2.880 274 I HA 0.169 4.339 4.170 0.000 0.000 0.296 274 I C 0.853 176.964 176.117 -0.010 0.000 1.220 274 I CA 1.096 62.395 61.300 -0.001 0.000 1.435 274 I CB 0.426 38.432 38.000 0.011 0.000 1.339 274 I HN 0.185 nan 8.210 nan 0.000 0.583 275 K N 4.029 124.415 120.400 -0.024 0.000 2.469 275 K HA 0.517 4.837 4.320 0.000 0.000 0.254 275 K C -0.220 176.357 176.600 -0.037 0.000 0.939 275 K CA -0.556 55.714 56.287 -0.029 0.000 0.812 275 K CB 3.012 35.487 32.500 -0.041 0.000 1.301 275 K HN 0.291 nan 8.250 nan 0.000 0.433 276 V N 2.364 122.257 119.914 -0.034 0.000 3.392 276 V HA 0.068 4.188 4.120 0.000 0.000 0.294 276 V C 1.510 177.576 176.094 -0.047 0.000 1.561 276 V CA 0.243 62.519 62.300 -0.041 0.000 1.056 276 V CB 0.284 32.095 31.823 -0.020 0.000 0.882 276 V HN 0.734 nan 8.190 nan 0.000 0.440 277 R N -0.085 120.387 120.500 -0.047 0.000 2.073 277 R HA -0.136 4.204 4.340 0.000 0.000 0.234 277 R C 1.973 178.241 176.300 -0.053 0.000 1.134 277 R CA 1.905 57.977 56.100 -0.047 0.000 0.952 277 R CB 0.072 30.344 30.300 -0.048 0.000 0.850 277 R HN 0.418 nan 8.270 nan 0.000 0.433 278 Q N 0.352 120.114 119.800 -0.063 0.000 2.297 278 Q HA -0.058 4.283 4.340 0.000 0.000 0.204 278 Q C 2.146 178.097 176.000 -0.082 0.000 0.962 278 Q CA 0.864 56.626 55.803 -0.068 0.000 0.879 278 Q CB 0.034 28.728 28.738 -0.073 0.000 0.947 278 Q HN 0.410 nan 8.270 nan 0.000 0.462 279 L N -0.879 120.287 121.223 -0.094 0.000 2.109 279 L HA -0.145 4.195 4.340 0.000 0.000 0.207 279 L C 2.453 179.275 176.870 -0.080 0.000 1.086 279 L CA 0.660 55.432 54.840 -0.114 0.000 0.760 279 L CB -0.263 41.715 42.059 -0.135 0.000 0.910 279 L HN 0.212 nan 8.230 nan 0.000 0.437 280 C N -0.136 119.129 119.300 -0.058 0.000 2.446 280 C HA -0.125 4.335 4.460 0.000 0.000 0.277 280 C C 2.746 177.714 174.990 -0.036 0.000 1.275 280 C CA 0.542 59.535 59.018 -0.040 0.000 1.727 280 C CB -0.535 27.186 27.740 -0.031 0.000 2.010 280 C HN 0.406 nan 8.230 nan 0.000 0.486 281 K N 0.560 120.936 120.400 -0.039 0.000 2.144 281 K HA -0.214 4.106 4.320 0.000 0.000 0.209 281 K C 1.607 178.189 176.600 -0.031 0.000 1.047 281 K CA 1.357 57.624 56.287 -0.034 0.000 0.927 281 K CB -0.398 32.080 32.500 -0.037 0.000 0.716 281 K HN 0.556 nan 8.250 nan 0.000 0.454 282 L N 0.652 121.851 121.223 -0.040 0.000 2.265 282 L HA -0.158 4.182 4.340 0.000 0.000 0.215 282 L C 2.031 178.891 176.870 -0.018 0.000 1.117 282 L CA 0.776 55.597 54.840 -0.032 0.000 0.782 282 L CB -0.377 41.654 42.059 -0.047 0.000 0.914 282 L HN 0.177 nan 8.230 nan 0.000 0.441 283 L N -0.812 120.400 121.223 -0.018 0.000 2.554 283 L HA 0.016 4.356 4.340 0.000 0.000 0.226 283 L C 1.056 177.923 176.870 -0.006 0.000 1.137 283 L CA 0.015 54.850 54.840 -0.008 0.000 0.863 283 L CB -0.216 41.838 42.059 -0.009 0.000 0.985 283 L HN 0.134 nan 8.230 nan 0.000 0.451 284 R N 0.569 121.064 120.500 -0.009 0.000 2.543 284 R HA 0.422 4.762 4.340 0.000 0.000 0.277 284 R C 0.282 176.580 176.300 -0.003 0.000 1.074 284 R CA 0.576 56.672 56.100 -0.006 0.000 1.076 284 R CB 0.583 30.878 30.300 -0.009 0.000 0.993 284 R HN 0.155 nan 8.270 nan 0.000 0.459 285 G N 1.779 110.578 108.800 -0.001 0.000 3.436 285 G HA2 -0.203 3.757 3.960 0.000 0.000 0.685 285 G HA3 -0.203 3.757 3.960 0.000 0.000 0.685 285 G C -0.454 174.447 174.900 0.002 0.000 1.039 285 G CA -0.861 44.239 45.100 0.001 0.000 0.879 285 G HN 0.522 nan 8.290 nan 0.000 0.478 286 T N 3.292 117.847 114.554 0.002 0.000 2.754 286 T HA 0.418 4.768 4.350 0.000 0.000 0.282 286 T C 0.648 175.350 174.700 0.004 0.000 0.923 286 T CA 0.409 62.511 62.100 0.003 0.000 1.164 286 T CB 0.582 69.451 68.868 0.002 0.000 0.873 286 T HN 0.586 nan 8.240 nan 0.000 0.537 287 K N 1.715 122.118 120.400 0.006 0.000 2.281 287 K HA 0.757 5.077 4.320 0.000 0.000 0.242 287 K C 0.003 176.608 176.600 0.008 0.000 0.971 287 K CA -0.780 55.511 56.287 0.008 0.000 0.834 287 K CB 1.369 33.875 32.500 0.011 0.000 1.181 287 K HN 0.585 nan 8.250 nan 0.000 0.435 288 A N 1.519 124.343 122.820 0.007 0.000 2.466 288 A HA 0.071 4.391 4.320 0.000 0.000 0.238 288 A C 0.849 178.438 177.584 0.009 0.000 1.074 288 A CA 0.034 52.075 52.037 0.006 0.000 0.774 288 A CB -0.067 18.935 19.000 0.004 0.000 1.015 288 A HN 0.710 nan 8.150 nan 0.000 0.498 289 L N 1.391 122.618 121.223 0.006 0.000 2.265 289 L HA -0.127 4.214 4.340 0.000 0.000 0.215 289 L C 2.705 179.582 176.870 0.011 0.000 1.117 289 L CA 2.545 57.390 54.840 0.009 0.000 0.782 289 L CB -0.408 41.653 42.059 0.003 0.000 0.914 289 L HN 0.977 nan 8.230 nan 0.000 0.441 290 T N -4.783 109.774 114.554 0.006 0.000 3.057 290 T HA -0.001 4.349 4.350 0.000 0.000 0.254 290 T C 0.893 175.598 174.700 0.008 0.000 1.094 290 T CA -0.347 61.754 62.100 0.002 0.000 1.088 290 T CB -0.265 68.601 68.868 -0.004 0.000 0.934 290 T HN 0.219 nan 8.240 nan 0.000 0.497 291 E N 1.456 121.664 120.200 0.013 0.000 2.529 291 E HA 0.151 4.502 4.350 0.000 0.000 0.259 291 E C -0.804 175.815 176.600 0.032 0.000 0.966 291 E CA -0.226 56.185 56.400 0.018 0.000 0.937 291 E CB 0.569 30.280 29.700 0.017 0.000 0.923 291 E HN 0.131 nan 8.360 nan 0.000 0.468 292 V N 6.631 126.564 119.914 0.032 0.000 2.488 292 V HA 0.087 4.207 4.120 0.000 0.000 0.277 292 V C 0.324 176.458 176.094 0.066 0.000 1.046 292 V CA -0.178 62.154 62.300 0.053 0.000 0.986 292 V CB 0.838 32.683 31.823 0.037 0.000 0.989 292 V HN 0.528 nan 8.190 nan 0.000 0.475 293 I N 7.368 127.999 120.570 0.101 0.000 2.312 293 I HA 0.346 4.516 4.170 0.000 0.000 0.290 293 I C -2.248 173.926 176.117 0.096 0.000 1.008 293 I CA -2.280 59.068 61.300 0.079 0.000 1.226 293 I CB 1.434 39.467 38.000 0.055 0.000 1.371 293 I HN 0.385 nan 8.210 nan 0.000 0.468 294 P HA 0.022 nan 4.420 nan 0.000 0.261 294 P C -0.334 176.982 177.300 0.027 0.000 1.183 294 P CA -0.213 62.920 63.100 0.056 0.000 0.761 294 P CB 0.348 32.067 31.700 0.032 0.000 0.785 295 L N 3.659 124.895 121.223 0.022 0.000 2.380 295 L HA 0.196 4.536 4.340 0.000 0.000 0.273 295 L C 1.368 178.219 176.870 -0.032 0.000 1.138 295 L CA 0.524 55.339 54.840 -0.043 0.000 0.832 295 L CB -0.125 41.883 42.059 -0.085 0.000 1.124 295 L HN 0.437 nan 8.230 nan 0.000 0.454 296 T N -0.821 113.704 114.554 -0.047 0.000 2.754 296 T HA 0.173 4.523 4.350 0.000 0.000 0.286 296 T C 0.996 175.670 174.700 -0.042 0.000 0.997 296 T CA -0.428 61.650 62.100 -0.038 0.000 0.982 296 T CB 0.799 69.643 68.868 -0.041 0.000 1.027 296 T HN 0.554 nan 8.240 nan 0.000 0.529 297 E N 0.489 120.668 120.200 -0.034 0.000 2.072 297 E HA -0.123 4.227 4.350 0.000 0.000 0.191 297 E C 1.870 178.443 176.600 -0.045 0.000 0.985 297 E CA 1.551 57.931 56.400 -0.034 0.000 0.801 297 E CB -0.360 29.324 29.700 -0.026 0.000 0.750 297 E HN 0.813 nan 8.360 nan 0.000 0.452 298 E N -0.021 120.150 120.200 -0.048 0.000 2.152 298 E HA 0.012 4.362 4.350 0.000 0.000 0.192 298 E C 1.926 178.484 176.600 -0.069 0.000 0.983 298 E CA 1.055 57.422 56.400 -0.054 0.000 0.818 298 E CB -0.365 29.305 29.700 -0.051 0.000 0.758 298 E HN 0.339 nan 8.360 nan 0.000 0.467 299 A N 0.946 123.718 122.820 -0.081 0.000 1.930 299 A HA -0.214 4.106 4.320 0.000 0.000 0.217 299 A C 2.111 179.620 177.584 -0.126 0.000 1.175 299 A CA 1.648 53.618 52.037 -0.113 0.000 0.627 299 A CB -0.386 18.534 19.000 -0.134 0.000 0.815 299 A HN 0.199 nan 8.150 nan 0.000 0.443 300 E N -0.683 119.457 120.200 -0.101 0.000 2.072 300 E HA -0.095 4.255 4.350 0.000 0.000 0.190 300 E C 1.760 178.319 176.600 -0.069 0.000 0.982 300 E CA 0.661 57.008 56.400 -0.088 0.000 0.803 300 E CB -0.170 29.497 29.700 -0.055 0.000 0.755 300 E HN 0.371 nan 8.360 nan 0.000 0.453 301 L N 1.156 122.344 121.223 -0.059 0.000 2.021 301 L HA -0.234 4.106 4.340 0.000 0.000 0.215 301 L C 2.252 179.086 176.870 -0.059 0.000 1.074 301 L CA 1.949 56.758 54.840 -0.052 0.000 0.760 301 L CB -0.777 41.254 42.059 -0.047 0.000 0.889 301 L HN 0.211 nan 8.230 nan 0.000 0.433 302 E N -0.993 119.163 120.200 -0.073 0.000 2.106 302 E HA -0.219 4.131 4.350 0.000 0.000 0.192 302 E C 2.153 178.703 176.600 -0.084 0.000 0.984 302 E CA 0.659 57.014 56.400 -0.076 0.000 0.806 302 E CB -0.110 29.539 29.700 -0.085 0.000 0.750 302 E HN 0.273 nan 8.360 nan 0.000 0.458 303 L N 0.446 121.606 121.223 -0.106 0.000 2.083 303 L HA -0.050 4.290 4.340 0.000 0.000 0.209 303 L C 2.037 178.864 176.870 -0.072 0.000 1.083 303 L CA 2.061 56.831 54.840 -0.116 0.000 0.752 303 L CB -0.576 41.378 42.059 -0.175 0.000 0.899 303 L HN 0.104 nan 8.230 nan 0.000 0.433 304 A N -0.979 121.808 122.820 -0.055 0.000 1.929 304 A HA -0.191 4.130 4.320 0.000 0.000 0.216 304 A C 2.297 179.859 177.584 -0.036 0.000 1.176 304 A CA 1.369 53.385 52.037 -0.036 0.000 0.628 304 A CB -0.580 18.403 19.000 -0.027 0.000 0.816 304 A HN 0.575 nan 8.150 nan 0.000 0.444 305 E N 0.039 120.214 120.200 -0.042 0.000 2.150 305 E HA -0.183 4.167 4.350 0.000 0.000 0.193 305 E C 1.649 178.227 176.600 -0.037 0.000 0.985 305 E CA 1.171 57.549 56.400 -0.037 0.000 0.814 305 E CB -0.052 29.624 29.700 -0.040 0.000 0.752 305 E HN 0.547 nan 8.360 nan 0.000 0.466 306 N N 0.503 119.175 118.700 -0.047 0.000 2.142 306 N HA -0.100 4.640 4.740 0.000 0.000 0.186 306 N C 1.674 177.148 175.510 -0.061 0.000 1.023 306 N CA 0.934 53.951 53.050 -0.055 0.000 0.852 306 N CB -0.178 38.269 38.487 -0.066 0.000 0.998 306 N HN 0.162 nan 8.380 nan 0.000 0.424 307 R N 0.918 121.388 120.500 -0.050 0.000 2.105 307 R HA -0.046 4.294 4.340 0.000 0.000 0.239 307 R C 1.750 178.029 176.300 -0.034 0.000 1.135 307 R CA 0.810 56.885 56.100 -0.042 0.000 0.967 307 R CB -0.083 30.203 30.300 -0.023 0.000 0.861 307 R HN 0.269 nan 8.270 nan 0.000 0.442 308 E N 0.811 120.996 120.200 -0.025 0.000 2.085 308 E HA -0.168 4.182 4.350 0.000 0.000 0.194 308 E C 2.003 178.600 176.600 -0.004 0.000 0.994 308 E CA 1.133 57.525 56.400 -0.014 0.000 0.801 308 E CB -0.089 29.603 29.700 -0.014 0.000 0.743 308 E HN 0.383 nan 8.360 nan 0.000 0.453 309 I N 0.458 121.024 120.570 -0.007 0.000 2.546 309 I HA -0.210 3.960 4.170 0.000 0.000 0.255 309 I C 2.202 178.348 176.117 0.049 0.000 1.163 309 I CA 0.603 61.925 61.300 0.036 0.000 1.457 309 I CB 0.020 38.041 38.000 0.036 0.000 1.092 309 I HN 0.034 nan 8.210 nan 0.000 0.434 310 L N 0.438 121.617 121.223 -0.074 0.000 2.354 310 L HA -0.050 4.290 4.340 0.000 0.000 0.212 310 L C 2.521 179.350 176.870 -0.068 0.000 1.091 310 L CA 0.315 55.026 54.840 -0.214 0.000 0.828 310 L CB -0.393 41.495 42.059 -0.285 0.000 0.973 310 L HN 0.210 nan 8.230 nan 0.000 0.461 311 K N 0.344 120.732 120.400 -0.021 0.000 2.071 311 K HA -0.188 4.132 4.320 0.000 0.000 0.217 311 K C 0.452 177.071 176.600 0.031 0.000 1.054 311 K CA 1.307 57.595 56.287 0.003 0.000 0.937 311 K CB -0.259 32.244 32.500 0.005 0.000 0.719 311 K HN 0.124 nan 8.250 nan 0.000 0.454 312 E N 1.747 121.981 120.200 0.058 0.000 2.191 312 E HA 0.320 4.671 4.350 0.000 0.000 0.278 312 E C -2.383 174.301 176.600 0.140 0.000 0.972 312 E CA -2.601 53.844 56.400 0.074 0.000 0.804 312 E CB 1.653 31.384 29.700 0.051 0.000 1.110 312 E HN 0.133 nan 8.360 nan 0.000 0.394 313 P HA 0.070 nan 4.420 nan 0.000 0.271 313 P C -0.783 176.566 177.300 0.082 0.000 1.218 313 P CA -0.082 63.126 63.100 0.180 0.000 0.780 313 P CB 0.673 32.476 31.700 0.172 0.000 0.901 314 V N 3.378 123.190 119.914 -0.169 0.000 2.735 314 V HA 0.406 4.526 4.120 0.000 0.000 0.310 314 V C -0.039 175.676 176.094 -0.631 0.000 1.061 314 V CA -0.571 61.462 62.300 -0.446 0.000 0.913 314 V CB 1.708 32.980 31.823 -0.918 0.000 1.005 314 V HN 0.610 nan 8.190 nan 0.000 0.428 315 H N 1.158 119.959 119.070 -0.449 0.000 2.855 315 H HA 0.753 5.310 4.556 0.000 0.000 0.363 315 H C -0.066 174.870 175.328 -0.653 0.000 1.185 315 H CA -0.325 55.416 56.048 -0.511 0.000 1.174 315 H CB 2.712 32.258 29.762 -0.360 0.000 1.857 315 H HN 0.857 nan 8.280 nan 0.000 0.565 316 G N 0.106 108.387 108.800 -0.865 0.000 2.630 316 G HA2 0.480 4.440 3.960 0.000 0.000 0.296 316 G HA3 0.480 4.440 3.960 0.000 0.000 0.296 316 G C -1.144 173.463 174.900 -0.488 0.000 1.285 316 G CA -0.342 44.273 45.100 -0.808 0.000 0.958 316 G HN 0.388 nan 8.290 nan 0.000 0.479 317 V N -0.548 119.302 119.914 -0.106 0.000 3.093 317 V HA 0.688 4.808 4.120 0.000 0.000 0.320 317 V C -0.793 175.401 176.094 0.166 0.000 1.093 317 V CA -0.746 61.549 62.300 -0.009 0.000 1.016 317 V CB 1.758 33.596 31.823 0.025 0.000 1.096 317 V HN 0.686 nan 8.190 nan 0.000 0.452 318 Y N 0.599 121.066 120.300 0.278 0.000 2.654 318 Y HA 0.463 5.013 4.550 0.000 0.000 0.328 318 Y C -0.709 175.354 175.900 0.273 0.000 1.174 318 Y CA -0.467 57.804 58.100 0.286 0.000 1.293 318 Y CB 1.319 39.894 38.460 0.192 0.000 1.464 318 Y HN 0.608 nan 8.280 nan 0.000 0.559 319 Y N 1.274 121.764 120.300 0.315 0.000 2.361 319 Y HA 0.326 4.876 4.550 0.000 0.000 0.332 319 Y C -1.016 174.940 175.900 0.093 0.000 1.101 319 Y CA -1.575 56.627 58.100 0.171 0.000 1.137 319 Y CB 1.217 39.839 38.460 0.271 0.000 1.207 319 Y HN 0.454 nan 8.280 nan 0.000 0.463 320 D N 7.504 127.619 120.400 -0.475 0.000 2.462 320 D HA 0.329 4.969 4.640 0.000 0.000 0.245 320 D C -2.286 173.520 176.300 -0.824 0.000 1.122 320 D CA -2.491 51.210 54.000 -0.498 0.000 0.864 320 D CB 2.070 42.740 40.800 -0.215 0.000 1.098 320 D HN 0.362 nan 8.370 nan 0.000 0.541 321 P HA -0.052 nan 4.420 nan 0.000 0.237 321 P C 1.039 178.178 177.300 -0.269 0.000 1.178 321 P CA 0.417 63.116 63.100 -0.668 0.000 0.766 321 P CB 0.259 31.761 31.700 -0.330 0.000 0.876 322 S N -0.712 114.854 115.700 -0.224 0.000 2.377 322 S HA -0.018 4.452 4.470 0.000 0.000 0.223 322 S C 1.060 175.600 174.600 -0.100 0.000 1.030 322 S CA 0.469 58.595 58.200 -0.124 0.000 0.970 322 S CB -0.681 62.456 63.200 -0.105 0.000 0.830 322 S HN 0.125 nan 8.310 nan 0.000 0.473 323 K N 1.682 122.011 120.400 -0.118 0.000 2.102 323 K HA 0.361 4.682 4.320 0.000 0.000 0.244 323 K C -0.788 175.775 176.600 -0.062 0.000 1.021 323 K CA -0.553 55.684 56.287 -0.083 0.000 0.913 323 K CB 0.258 32.709 32.500 -0.082 0.000 1.062 323 K HN 0.154 nan 8.250 nan 0.000 0.485 324 D N 0.808 121.165 120.400 -0.073 0.000 2.283 324 D HA 0.170 4.810 4.640 0.000 0.000 0.248 324 D C -0.390 175.813 176.300 -0.161 0.000 1.072 324 D CA -0.404 53.539 54.000 -0.095 0.000 0.929 324 D CB 0.806 41.546 40.800 -0.101 0.000 1.182 324 D HN 0.017 nan 8.370 nan 0.000 0.433 325 L N 1.912 122.992 121.223 -0.238 0.000 2.326 325 L HA 0.318 4.658 4.340 0.000 0.000 0.278 325 L C 0.052 176.673 176.870 -0.416 0.000 1.092 325 L CA -0.359 54.246 54.840 -0.391 0.000 0.810 325 L CB 0.383 42.128 42.059 -0.523 0.000 1.153 325 L HN 0.228 nan 8.230 nan 0.000 0.439 326 I N 2.420 122.664 120.570 -0.544 0.000 2.509 326 I HA 0.687 4.857 4.170 0.000 0.000 0.293 326 I C -0.061 175.635 176.117 -0.702 0.000 1.020 326 I CA -0.534 60.393 61.300 -0.622 0.000 1.088 326 I CB 1.935 39.481 38.000 -0.755 0.000 1.267 326 I HN 0.650 nan 8.210 nan 0.000 0.430 327 A N 5.677 128.143 122.820 -0.589 0.000 2.335 327 A HA 0.763 5.083 4.320 0.000 0.000 0.304 327 A C -0.679 176.791 177.584 -0.190 0.000 1.118 327 A CA -0.597 51.177 52.037 -0.439 0.000 0.757 327 A CB 0.809 19.410 19.000 -0.665 0.000 1.188 327 A HN 0.659 nan 8.150 nan 0.000 0.460 328 E N 1.746 121.946 120.200 -0.000 0.000 2.191 328 E HA 0.595 4.945 4.350 0.000 0.000 0.274 328 E C -1.101 175.625 176.600 0.211 0.000 0.948 328 E CA -0.444 56.035 56.400 0.131 0.000 0.802 328 E CB 2.141 31.964 29.700 0.206 0.000 1.137 328 E HN 0.620 nan 8.360 nan 0.000 0.397 329 I N 1.971 122.665 120.570 0.206 0.000 2.646 329 I HA 0.256 4.426 4.170 0.000 0.000 0.299 329 I C -0.568 175.692 176.117 0.238 0.000 1.036 329 I CA -0.759 60.694 61.300 0.255 0.000 1.074 329 I CB 1.844 39.967 38.000 0.205 0.000 1.258 329 I HN 0.320 nan 8.210 nan 0.000 0.430 330 Q N 3.491 123.447 119.800 0.260 0.000 2.397 330 Q HA 0.418 4.759 4.340 0.000 0.000 0.275 330 Q C -0.975 175.102 176.000 0.128 0.000 1.090 330 Q CA -0.933 54.971 55.803 0.168 0.000 0.809 330 Q CB 2.483 31.267 28.738 0.076 0.000 1.362 330 Q HN 0.357 nan 8.270 nan 0.000 0.431 331 K N 1.560 121.919 120.400 -0.068 0.000 2.248 331 K HA 0.121 4.441 4.320 0.000 0.000 0.281 331 K C 0.075 176.478 176.600 -0.328 0.000 1.054 331 K CA 0.053 56.027 56.287 -0.521 0.000 0.903 331 K CB 0.613 32.722 32.500 -0.652 0.000 1.077 331 K HN 0.738 nan 8.250 nan 0.000 0.474 332 Q N 2.749 122.347 119.800 -0.337 0.000 2.247 332 Q HA 0.274 4.614 4.340 0.000 0.000 0.211 332 Q C 0.292 176.176 176.000 -0.193 0.000 0.861 332 Q CA -0.296 55.395 55.803 -0.187 0.000 0.949 332 Q CB 0.933 29.608 28.738 -0.105 0.000 1.115 332 Q HN 0.750 nan 8.270 nan 0.000 0.507 333 G N 0.118 108.753 108.800 -0.275 0.000 2.344 333 G HA2 0.038 3.998 3.960 0.000 0.000 0.282 333 G HA3 0.038 3.998 3.960 0.000 0.000 0.282 333 G C -1.791 172.962 174.900 -0.245 0.000 1.281 333 G CA -0.907 44.071 45.100 -0.205 0.000 0.877 333 G HN -0.041 nan 8.290 nan 0.000 0.494 334 Q N 0.462 120.169 119.800 -0.155 0.000 2.296 334 Q HA 0.481 4.821 4.340 0.000 0.000 0.262 334 Q C 1.260 177.200 176.000 -0.100 0.000 0.981 334 Q CA 1.130 56.865 55.803 -0.114 0.000 0.905 334 Q CB 0.619 29.316 28.738 -0.068 0.000 1.186 334 Q HN 2.145 nan 8.270 nan 0.000 0.399 335 G N 3.335 112.103 108.800 -0.054 0.000 2.189 335 G HA2 -0.306 3.654 3.960 0.000 0.000 0.267 335 G HA3 -0.306 3.654 3.960 0.000 0.000 0.267 335 G C 0.051 174.964 174.900 0.021 0.000 0.975 335 G CA 0.314 45.460 45.100 0.077 0.000 0.644 335 G HN 0.540 nan 8.290 nan 0.000 0.537 336 Q N -0.928 118.714 119.800 -0.263 0.000 2.333 336 Q HA 0.568 4.908 4.340 0.000 0.000 0.265 336 Q C -0.960 174.710 176.000 -0.550 0.000 0.989 336 Q CA -0.695 54.974 55.803 -0.224 0.000 0.842 336 Q CB 1.160 29.800 28.738 -0.164 0.000 1.262 336 Q HN 0.393 nan 8.270 nan 0.000 0.451 337 W N 0.942 122.309 121.300 0.111 0.000 2.736 337 W HA 0.556 5.216 4.660 0.000 0.000 0.335 337 W C -0.035 176.587 176.519 0.171 0.000 1.059 337 W CA -0.656 56.781 57.345 0.152 0.000 1.226 337 W CB 2.181 31.782 29.460 0.236 0.000 1.416 337 W HN 0.311 nan 8.180 nan 0.000 0.505 338 T N 2.282 117.043 114.554 0.344 0.000 2.893 338 T HA 0.686 5.036 4.350 0.000 0.000 0.293 338 T C -1.535 173.343 174.700 0.296 0.000 1.027 338 T CA -0.462 61.775 62.100 0.228 0.000 0.988 338 T CB 0.704 69.620 68.868 0.079 0.000 1.043 338 T HN 0.340 nan 8.240 nan 0.000 0.461 339 Y N 1.357 121.747 120.300 0.151 0.000 2.609 339 Y HA 0.868 5.419 4.550 0.000 0.000 0.342 339 Y C -1.248 174.724 175.900 0.120 0.000 1.058 339 Y CA -1.277 56.903 58.100 0.134 0.000 1.055 339 Y CB 1.361 39.898 38.460 0.128 0.000 1.292 339 Y HN 0.510 nan 8.280 nan 0.000 0.476 340 Q N 1.883 121.839 119.800 0.260 0.000 2.345 340 Q HA 0.708 5.048 4.340 0.000 0.000 0.275 340 Q C -1.673 174.478 176.000 0.251 0.000 1.063 340 Q CA -0.528 55.399 55.803 0.206 0.000 0.819 340 Q CB 3.367 32.234 28.738 0.216 0.000 1.356 340 Q HN 0.762 nan 8.270 nan 0.000 0.418 341 I N 2.726 123.428 120.570 0.220 0.000 2.498 341 I HA 0.629 4.799 4.170 0.000 0.000 0.290 341 I C -1.168 174.993 176.117 0.073 0.000 1.032 341 I CA -1.041 60.286 61.300 0.045 0.000 1.073 341 I CB 1.111 39.136 38.000 0.042 0.000 1.251 341 I HN 0.678 nan 8.210 nan 0.000 0.426 342 Y N 2.991 123.226 120.300 -0.109 0.000 2.689 342 Y HA 0.551 5.101 4.550 0.000 0.000 0.333 342 Y C -0.269 175.527 175.900 -0.174 0.000 1.190 342 Y CA -0.827 57.205 58.100 -0.114 0.000 1.063 342 Y CB 1.150 39.567 38.460 -0.072 0.000 1.294 342 Y HN 0.462 nan 8.280 nan 0.000 0.466 343 Q N -0.608 119.269 119.800 0.130 0.000 2.534 343 Q HA 0.243 4.583 4.340 0.000 0.000 0.252 343 Q C -0.674 175.365 176.000 0.065 0.000 0.850 343 Q CA 0.027 55.836 55.803 0.010 0.000 0.974 343 Q CB 1.044 29.761 28.738 -0.035 0.000 1.205 343 Q HN 0.584 nan 8.270 nan 0.000 0.593 344 E N 1.749 121.982 120.200 0.055 0.000 2.179 344 E HA 0.338 4.688 4.350 0.000 0.000 0.275 344 E C -2.552 173.913 176.600 -0.224 0.000 0.945 344 E CA -2.339 54.029 56.400 -0.053 0.000 0.792 344 E CB 1.421 31.070 29.700 -0.086 0.000 1.125 344 E HN -0.063 nan 8.360 nan 0.000 0.397 345 P HA -0.056 nan 4.420 nan 0.000 0.260 345 P C -0.368 176.241 177.300 -1.151 0.000 1.185 345 P CA 0.480 62.850 63.100 -1.216 0.000 0.763 345 P CB -0.206 30.862 31.700 -1.054 0.000 0.776 346 F N 1.090 120.581 119.950 -0.765 0.000 3.079 346 F HA -0.293 4.234 4.527 0.000 0.000 0.285 346 F C 0.752 176.370 175.800 -0.305 0.000 0.819 346 F CA 0.551 58.230 58.000 -0.535 0.000 1.067 346 F CB -1.717 37.068 39.000 -0.358 0.000 1.263 346 F HN 0.314 nan 8.300 nan 0.000 0.458 347 K N 1.978 122.245 120.400 -0.221 0.000 2.183 347 K HA 0.200 4.520 4.320 0.000 0.000 0.272 347 K C 0.058 176.650 176.600 -0.015 0.000 1.113 347 K CA -0.263 55.968 56.287 -0.093 0.000 0.949 347 K CB 0.205 32.659 32.500 -0.077 0.000 1.365 347 K HN 0.092 nan 8.250 nan 0.000 0.420 348 N N 2.224 120.924 118.700 0.000 0.000 2.497 348 N HA 0.045 4.785 4.740 0.000 0.000 0.268 348 N C 1.079 176.650 175.510 0.101 0.000 1.171 348 N CA -0.125 52.974 53.050 0.082 0.000 0.948 348 N CB 0.935 39.437 38.487 0.025 0.000 1.069 348 N HN 0.270 nan 8.380 nan 0.000 0.460 349 L N 2.373 123.715 121.223 0.198 0.000 2.145 349 L HA 0.113 4.453 4.340 0.000 0.000 0.201 349 L C 0.916 178.101 176.870 0.525 0.000 1.075 349 L CA 1.385 56.430 54.840 0.341 0.000 0.773 349 L CB -0.130 42.081 42.059 0.253 0.000 0.936 349 L HN 0.676 nan 8.230 nan 0.000 0.451 350 K N -3.698 116.951 120.400 0.415 0.000 2.556 350 K HA 0.587 4.907 4.320 0.000 0.000 0.289 350 K C -0.995 175.727 176.600 0.202 0.000 1.040 350 K CA -0.834 55.699 56.287 0.409 0.000 0.894 350 K CB 1.596 34.393 32.500 0.495 0.000 1.547 350 K HN -0.329 nan 8.250 nan 0.000 0.417 351 T N -1.407 113.198 114.554 0.085 0.000 2.865 351 T HA 0.852 5.202 4.350 0.000 0.000 0.294 351 T C -1.090 173.389 174.700 -0.369 0.000 1.119 351 T CA -0.004 62.021 62.100 -0.124 0.000 1.007 351 T CB 1.891 70.710 68.868 -0.081 0.000 1.225 351 T HN 0.976 nan 8.240 nan 0.000 0.515 352 G N 0.903 109.244 108.800 -0.765 0.000 2.342 352 G HA2 0.592 4.552 3.960 0.000 0.000 0.297 352 G HA3 0.592 4.552 3.960 0.000 0.000 0.297 352 G C -2.195 172.360 174.900 -0.576 0.000 1.313 352 G CA -0.839 43.805 45.100 -0.761 0.000 0.830 352 G HN 0.818 nan 8.290 nan 0.000 0.506 353 K N -1.546 118.811 120.400 -0.072 0.000 2.482 353 K HA 0.785 5.105 4.320 0.000 0.000 0.257 353 K C -2.030 174.822 176.600 0.420 0.000 0.969 353 K CA -1.133 55.271 56.287 0.195 0.000 0.842 353 K CB 2.858 35.421 32.500 0.105 0.000 1.359 353 K HN 0.748 nan 8.250 nan 0.000 0.441 354 Y N 0.243 120.731 120.300 0.312 0.000 2.457 354 Y HA 0.612 5.162 4.550 0.000 0.000 0.343 354 Y C -1.774 174.297 175.900 0.286 0.000 0.994 354 Y CA -0.448 57.801 58.100 0.249 0.000 1.031 354 Y CB 2.587 41.154 38.460 0.177 0.000 1.246 354 Y HN 0.902 nan 8.280 nan 0.000 0.449 355 A N 6.072 128.647 122.820 -0.409 0.000 3.277 355 A HA 0.501 4.821 4.320 0.000 0.000 0.281 355 A C -1.359 175.966 177.584 -0.432 0.000 1.179 355 A CA -0.531 51.378 52.037 -0.214 0.000 0.879 355 A CB 0.185 19.150 19.000 -0.057 0.000 1.374 355 A HN 0.724 nan 8.150 nan 0.000 0.590 356 R N 1.863 121.902 120.500 -0.767 0.000 2.502 356 R HA 0.601 4.942 4.340 0.000 0.000 0.300 356 R C -0.816 175.390 176.300 -0.157 0.000 0.984 356 R CA -0.613 55.216 56.100 -0.452 0.000 0.882 356 R CB 0.906 30.895 30.300 -0.517 0.000 1.180 356 R HN 0.438 nan 8.270 nan 0.000 0.444 357 M N 4.860 124.424 119.600 -0.060 0.000 2.350 357 M HA 0.177 4.657 4.480 0.000 0.000 0.338 357 M C -0.315 175.996 176.300 0.018 0.000 1.559 357 M CA 0.330 55.633 55.300 0.004 0.000 1.217 357 M CB 0.488 33.088 32.600 0.000 0.000 1.808 357 M HN 0.528 nan 8.290 nan 0.000 0.458 358 R N 2.612 123.144 120.500 0.054 0.000 2.196 358 R HA 0.510 4.850 4.340 0.000 0.000 0.340 358 R C 0.770 177.099 176.300 0.049 0.000 1.043 358 R CA 0.083 56.220 56.100 0.061 0.000 0.883 358 R CB 0.532 30.886 30.300 0.090 0.000 1.078 358 R HN 0.974 nan 8.270 nan 0.000 0.462 359 G N 1.780 110.596 108.800 0.027 0.000 2.642 359 G HA2 -0.291 3.669 3.960 0.000 0.000 0.231 359 G HA3 -0.291 3.669 3.960 0.000 0.000 0.231 359 G C 0.390 175.237 174.900 -0.089 0.000 1.338 359 G CA -0.161 44.934 45.100 -0.007 0.000 0.883 359 G HN 0.590 nan 8.290 nan 0.000 0.570 360 A N -1.507 121.162 122.820 -0.253 0.000 1.973 360 A HA 0.504 4.825 4.320 0.000 0.000 0.210 360 A C 0.969 178.210 177.584 -0.572 0.000 1.200 360 A CA 1.870 53.607 52.037 -0.500 0.000 0.707 360 A CB -0.048 18.491 19.000 -0.769 0.000 0.862 360 A HN 1.158 nan 8.150 nan 0.000 0.461 361 H N -1.836 117.280 119.070 0.076 0.000 2.865 361 H HA 0.684 5.240 4.556 0.000 0.000 0.372 361 H C -1.090 174.283 175.328 0.076 0.000 1.173 361 H CA 0.008 56.096 56.048 0.067 0.000 1.147 361 H CB 1.486 31.286 29.762 0.063 0.000 1.805 361 H HN 0.135 nan 8.280 nan 0.000 0.553 362 T N 0.910 115.577 114.554 0.188 0.000 2.733 362 T HA 0.283 4.634 4.350 0.000 0.000 0.312 362 T C -1.621 173.119 174.700 0.067 0.000 1.590 362 T CA -0.925 61.240 62.100 0.109 0.000 1.005 362 T CB 1.721 70.641 68.868 0.087 0.000 1.528 362 T HN 0.928 nan 8.240 nan 0.000 0.496 363 N N 0.811 119.497 118.700 -0.022 0.000 2.312 363 N HA 0.445 5.185 4.740 0.000 0.000 0.296 363 N C 0.303 175.775 175.510 -0.063 0.000 1.193 363 N CA -0.626 52.384 53.050 -0.067 0.000 0.773 363 N CB 1.027 39.381 38.487 -0.222 0.000 1.435 363 N HN 0.414 nan 8.380 nan 0.000 0.484 364 D N 0.263 120.687 120.400 0.041 0.000 2.149 364 D HA -0.142 4.498 4.640 0.000 0.000 0.194 364 D C 1.590 177.852 176.300 -0.063 0.000 1.001 364 D CA 1.259 55.354 54.000 0.157 0.000 0.849 364 D CB -0.098 40.837 40.800 0.224 0.000 0.939 364 D HN 0.388 nan 8.370 nan 0.000 0.449 365 V N 0.964 120.692 119.914 -0.309 0.000 2.307 365 V HA -0.227 3.893 4.120 0.000 0.000 0.245 365 V C 2.376 178.226 176.094 -0.406 0.000 1.045 365 V CA 1.521 63.558 62.300 -0.439 0.000 1.024 365 V CB -0.336 30.992 31.823 -0.824 0.000 0.651 365 V HN 0.196 nan 8.190 nan 0.000 0.449 366 K N -0.296 119.831 120.400 -0.456 0.000 2.074 366 K HA -0.248 4.072 4.320 0.000 0.000 0.209 366 K C 2.282 178.756 176.600 -0.209 0.000 1.048 366 K CA 1.712 57.868 56.287 -0.219 0.000 0.926 366 K CB -0.259 32.153 32.500 -0.148 0.000 0.713 366 K HN 0.528 nan 8.250 nan 0.000 0.444 367 Q N 0.470 120.141 119.800 -0.216 0.000 2.124 367 Q HA -0.153 4.187 4.340 0.000 0.000 0.202 367 Q C 2.251 177.807 176.000 -0.741 0.000 0.977 367 Q CA 0.937 56.565 55.803 -0.291 0.000 0.850 367 Q CB -0.143 28.567 28.738 -0.047 0.000 0.901 367 Q HN 0.203 nan 8.270 nan 0.000 0.429 368 L N 0.512 121.261 121.223 -0.790 0.000 2.046 368 L HA -0.150 4.191 4.340 0.000 0.000 0.208 368 L C 2.118 178.538 176.870 -0.751 0.000 1.077 368 L CA 1.812 56.082 54.840 -0.950 0.000 0.747 368 L CB -0.591 41.091 42.059 -0.628 0.000 0.896 368 L HN 0.113 nan 8.230 nan 0.000 0.432 369 T N -1.037 113.187 114.554 -0.550 0.000 2.821 369 T HA -0.139 4.211 4.350 0.000 0.000 0.267 369 T C 1.675 176.098 174.700 -0.462 0.000 1.046 369 T CA 1.452 63.265 62.100 -0.478 0.000 1.139 369 T CB -0.171 68.586 68.868 -0.185 0.000 0.871 369 T HN 0.434 nan 8.240 nan 0.000 0.454 370 E N 1.251 121.184 120.200 -0.445 0.000 2.051 370 E HA -0.042 4.308 4.350 0.000 0.000 0.192 370 E C 2.620 178.721 176.600 -0.832 0.000 0.991 370 E CA 0.980 57.100 56.400 -0.468 0.000 0.799 370 E CB -0.264 29.267 29.700 -0.281 0.000 0.748 370 E HN 0.463 nan 8.360 nan 0.000 0.449 371 A N 0.914 123.062 122.820 -1.120 0.000 1.892 371 A HA -0.197 4.123 4.320 0.000 0.000 0.218 371 A C 2.509 179.660 177.584 -0.721 0.000 1.188 371 A CA 1.463 52.818 52.037 -1.136 0.000 0.631 371 A CB -0.851 17.587 19.000 -0.936 0.000 0.822 371 A HN 0.147 nan 8.150 nan 0.000 0.447 372 V N -0.398 119.098 119.914 -0.697 0.000 2.343 372 V HA -0.273 3.847 4.120 0.000 0.000 0.247 372 V C 2.759 178.552 176.094 -0.501 0.000 1.051 372 V CA 2.421 64.283 62.300 -0.730 0.000 1.036 372 V CB -0.638 30.539 31.823 -1.077 0.000 0.654 372 V HN 0.693 nan 8.190 nan 0.000 0.451 373 Q N 0.354 119.887 119.800 -0.445 0.000 2.084 373 Q HA -0.193 4.147 4.340 0.000 0.000 0.202 373 Q C 2.276 178.144 176.000 -0.220 0.000 0.978 373 Q CA 1.742 57.377 55.803 -0.281 0.000 0.844 373 Q CB -0.417 28.185 28.738 -0.227 0.000 0.898 373 Q HN 0.479 nan 8.270 nan 0.000 0.426 374 K N 0.254 120.476 120.400 -0.296 0.000 2.002 374 K HA -0.137 4.183 4.320 0.000 0.000 0.209 374 K C 1.972 178.456 176.600 -0.193 0.000 1.048 374 K CA 1.628 57.784 56.287 -0.219 0.000 0.930 374 K CB -0.432 31.899 32.500 -0.282 0.000 0.714 374 K HN 0.366 nan 8.250 nan 0.000 0.438 375 I N 0.980 121.384 120.570 -0.276 0.000 2.361 375 I HA -0.230 3.940 4.170 0.000 0.000 0.251 375 I C 2.182 178.268 176.117 -0.052 0.000 1.133 375 I CA 1.247 62.402 61.300 -0.242 0.000 1.413 375 I CB -0.338 37.471 38.000 -0.319 0.000 1.073 375 I HN 0.169 nan 8.210 nan 0.000 0.424 376 T N 0.082 114.642 114.554 0.011 0.000 2.777 376 T HA -0.146 4.205 4.350 0.000 0.000 0.266 376 T C 1.930 176.631 174.700 0.001 0.000 1.040 376 T CA 2.063 64.197 62.100 0.057 0.000 1.141 376 T CB -0.335 68.558 68.868 0.042 0.000 0.868 376 T HN 0.406 nan 8.240 nan 0.000 0.444 377 T N 1.593 116.126 114.554 -0.035 0.000 2.777 377 T HA -0.080 4.270 4.350 0.000 0.000 0.266 377 T C 1.874 176.538 174.700 -0.060 0.000 1.040 377 T CA 1.243 63.322 62.100 -0.036 0.000 1.141 377 T CB -0.271 68.576 68.868 -0.036 0.000 0.868 377 T HN 0.515 nan 8.240 nan 0.000 0.444 378 E N 1.076 121.227 120.200 -0.081 0.000 2.085 378 E HA -0.160 4.190 4.350 0.000 0.000 0.194 378 E C 2.200 178.695 176.600 -0.174 0.000 0.994 378 E CA 1.387 57.711 56.400 -0.128 0.000 0.801 378 E CB -0.087 29.542 29.700 -0.118 0.000 0.743 378 E HN 0.400 nan 8.360 nan 0.000 0.453 379 S N 0.242 115.902 115.700 -0.067 0.000 2.383 379 S HA -0.105 4.365 4.470 0.000 0.000 0.227 379 S C 1.900 176.496 174.600 -0.008 0.000 1.026 379 S CA 0.894 59.119 58.200 0.042 0.000 0.981 379 S CB -0.181 63.142 63.200 0.204 0.000 0.818 379 S HN 0.266 nan 8.310 nan 0.000 0.472 380 I N 1.134 121.693 120.570 -0.019 0.000 2.264 380 I HA -0.162 4.008 4.170 0.000 0.000 0.248 380 I C 2.180 178.253 176.117 -0.074 0.000 1.111 380 I CA 0.848 62.137 61.300 -0.018 0.000 1.382 380 I CB -0.385 37.614 38.000 -0.001 0.000 1.060 380 I HN 0.135 nan 8.210 nan 0.000 0.418 381 V N 0.905 120.741 119.914 -0.130 0.000 2.244 381 V HA -0.255 3.865 4.120 0.000 0.000 0.244 381 V C 2.215 178.147 176.094 -0.271 0.000 1.042 381 V CA 2.031 64.234 62.300 -0.161 0.000 1.006 381 V CB -0.337 31.388 31.823 -0.163 0.000 0.641 381 V HN 0.308 nan 8.190 nan 0.000 0.446 382 I N -1.606 118.664 120.570 -0.500 0.000 2.286 382 I HA -0.180 3.990 4.170 0.000 0.000 0.245 382 I C 2.066 177.691 176.117 -0.819 0.000 1.104 382 I CA 1.532 62.324 61.300 -0.848 0.000 1.397 382 I CB -0.284 36.780 38.000 -1.560 0.000 1.072 382 I HN 0.404 nan 8.210 nan 0.000 0.417 383 W N 0.210 121.356 121.300 -0.256 0.000 2.998 383 W HA 0.377 5.037 4.660 0.000 0.000 0.336 383 W C 1.589 178.016 176.519 -0.154 0.000 1.112 383 W CA 0.605 57.732 57.345 -0.363 0.000 1.682 383 W CB -0.284 28.807 29.460 -0.616 0.000 1.065 383 W HN 0.338 nan 8.180 nan 0.000 0.570 384 G N 2.212 111.045 108.800 0.055 0.000 2.189 384 G HA2 -0.325 3.635 3.960 0.000 0.000 0.267 384 G HA3 -0.325 3.635 3.960 0.000 0.000 0.267 384 G C 0.243 175.191 174.900 0.079 0.000 0.975 384 G CA 1.107 46.242 45.100 0.059 0.000 0.644 384 G HN 0.370 nan 8.290 nan 0.000 0.537 385 K N -0.686 119.776 120.400 0.103 0.000 2.508 385 K HA 0.718 5.038 4.320 0.000 0.000 0.260 385 K C -0.132 176.507 176.600 0.066 0.000 0.949 385 K CA -0.321 56.013 56.287 0.079 0.000 0.834 385 K CB 1.475 34.021 32.500 0.077 0.000 1.365 385 K HN 0.400 nan 8.250 nan 0.000 0.437 386 T N -0.449 114.128 114.554 0.039 0.000 2.913 386 T HA 0.533 4.883 4.350 0.000 0.000 0.287 386 T C -2.114 172.546 174.700 -0.067 0.000 1.008 386 T CA -1.451 60.659 62.100 0.016 0.000 1.067 386 T CB 0.967 69.870 68.868 0.059 0.000 0.996 386 T HN 0.506 nan 8.240 nan 0.000 0.513 387 P HA 0.543 nan 4.420 nan 0.000 0.284 387 P C -1.155 175.943 177.300 -0.336 0.000 1.292 387 P CA -0.938 61.944 63.100 -0.364 0.000 0.800 387 P CB 0.640 31.956 31.700 -0.640 0.000 1.188 388 K N -0.187 120.004 120.400 -0.348 0.000 2.185 388 K HA 0.520 4.840 4.320 0.000 0.000 0.269 388 K C -0.527 175.868 176.600 -0.343 0.000 0.987 388 K CA -0.125 56.047 56.287 -0.192 0.000 0.865 388 K CB 0.309 32.732 32.500 -0.129 0.000 1.090 388 K HN 0.265 nan 8.250 nan 0.000 0.450 389 F N 1.516 121.415 119.950 -0.086 0.000 2.408 389 F HA 0.470 4.997 4.527 0.000 0.000 0.325 389 F C 0.538 176.339 175.800 0.002 0.000 1.082 389 F CA -0.555 57.396 58.000 -0.082 0.000 1.032 389 F CB 1.211 40.129 39.000 -0.138 0.000 1.259 389 F HN 0.006 nan 8.300 nan 0.000 0.503 390 K N 3.706 124.231 120.400 0.209 0.000 2.705 390 K HA 0.409 4.729 4.320 0.000 0.000 0.238 390 K C -1.480 175.215 176.600 0.158 0.000 0.996 390 K CA -0.202 56.180 56.287 0.157 0.000 1.007 390 K CB 1.625 34.173 32.500 0.080 0.000 1.206 390 K HN 0.518 nan 8.250 nan 0.000 0.488 391 L N 3.372 124.716 121.223 0.201 0.000 2.331 391 L HA 0.482 4.822 4.340 0.000 0.000 0.275 391 L C -1.884 175.098 176.870 0.186 0.000 1.022 391 L CA -2.093 52.809 54.840 0.102 0.000 0.812 391 L CB 1.878 43.841 42.059 -0.160 0.000 1.257 391 L HN 0.204 nan 8.230 nan 0.000 0.435 392 P HA 0.250 nan 4.420 nan 0.000 0.212 392 P C -0.656 176.841 177.300 0.328 0.000 1.816 392 P CA 0.264 63.500 63.100 0.228 0.000 0.944 392 P CB 0.349 32.149 31.700 0.166 0.000 1.896 393 I N -0.802 120.031 120.570 0.437 0.000 2.752 393 I HA 0.281 4.451 4.170 0.000 0.000 0.295 393 I C -0.828 175.482 176.117 0.321 0.000 1.219 393 I CA -0.953 60.509 61.300 0.270 0.000 1.030 393 I CB 2.724 40.766 38.000 0.071 0.000 1.259 393 I HN -0.196 nan 8.210 nan 0.000 0.423 394 Q N 5.178 124.995 119.800 0.030 0.000 2.340 394 Q HA 0.202 4.542 4.340 0.000 0.000 0.249 394 Q C 0.518 176.622 176.000 0.174 0.000 0.957 394 Q CA -0.336 55.350 55.803 -0.195 0.000 0.882 394 Q CB 1.452 30.023 28.738 -0.278 0.000 1.235 394 Q HN 0.563 nan 8.270 nan 0.000 0.439 395 K N 1.649 122.116 120.400 0.113 0.000 2.211 395 K HA -0.206 4.114 4.320 0.000 0.000 0.204 395 K C 1.477 178.259 176.600 0.302 0.000 1.047 395 K CA 1.196 57.630 56.287 0.246 0.000 0.935 395 K CB 0.240 32.721 32.500 -0.032 0.000 0.728 395 K HN 0.647 nan 8.250 nan 0.000 0.452 396 E N 0.089 120.373 120.200 0.141 0.000 2.170 396 E HA -0.074 4.276 4.350 0.000 0.000 0.191 396 E C 1.306 177.977 176.600 0.118 0.000 0.981 396 E CA 0.845 57.307 56.400 0.104 0.000 0.830 396 E CB 0.271 29.982 29.700 0.018 0.000 0.775 396 E HN 0.155 nan 8.360 nan 0.000 0.470 397 T N 0.945 115.571 114.554 0.119 0.000 2.777 397 T HA -0.170 4.180 4.350 0.000 0.000 0.266 397 T C 1.288 176.128 174.700 0.233 0.000 1.040 397 T CA 1.128 63.294 62.100 0.109 0.000 1.141 397 T CB -0.437 68.468 68.868 0.061 0.000 0.868 397 T HN 0.451 nan 8.240 nan 0.000 0.444 398 W N 2.196 123.608 121.300 0.188 0.000 2.388 398 W HA -0.085 4.575 4.660 0.000 0.000 0.294 398 W C 2.035 178.813 176.519 0.431 0.000 1.212 398 W CA 1.267 58.781 57.345 0.281 0.000 1.271 398 W CB -0.117 29.551 29.460 0.347 0.000 1.126 398 W HN 0.373 nan 8.180 nan 0.000 0.535 399 E N -0.084 120.285 120.200 0.282 0.000 2.047 399 E HA -0.200 4.150 4.350 0.000 0.000 0.191 399 E C 2.084 178.624 176.600 -0.100 0.000 0.987 399 E CA 2.196 58.719 56.400 0.205 0.000 0.799 399 E CB -0.356 29.473 29.700 0.216 0.000 0.752 399 E HN -0.012 nan 8.360 nan 0.000 0.449 400 T N 0.869 115.407 114.554 -0.026 0.000 2.720 400 T HA -0.199 4.151 4.350 0.000 0.000 0.268 400 T C 1.180 175.823 174.700 -0.096 0.000 1.037 400 T CA 1.409 63.464 62.100 -0.076 0.000 1.144 400 T CB -0.419 68.445 68.868 -0.007 0.000 0.864 400 T HN 0.458 nan 8.240 nan 0.000 0.444 401 W N 1.359 122.515 121.300 -0.240 0.000 2.378 401 W HA -0.111 4.549 4.660 0.000 0.000 0.313 401 W C 2.378 178.716 176.519 -0.302 0.000 1.197 401 W CA 1.135 58.319 57.345 -0.269 0.000 1.304 401 W CB -0.531 28.773 29.460 -0.260 0.000 1.148 401 W HN 0.484 nan 8.180 nan 0.000 0.494 402 W N 3.030 123.932 121.300 -0.662 0.000 2.342 402 W HA -0.222 4.438 4.660 0.000 0.000 0.297 402 W C 1.974 178.220 176.519 -0.455 0.000 1.213 402 W CA 2.568 59.479 57.345 -0.722 0.000 1.251 402 W CB -1.425 27.538 29.460 -0.828 0.000 1.136 402 W HN -0.056 nan 8.180 nan 0.000 0.526 403 T N -0.528 113.367 114.554 -1.099 0.000 2.770 403 T HA -0.123 4.227 4.350 0.000 0.000 0.258 403 T C 1.535 175.873 174.700 -0.603 0.000 1.039 403 T CA 1.555 62.936 62.100 -1.199 0.000 1.143 403 T CB -0.862 67.249 68.868 -1.263 0.000 0.866 403 T HN 0.269 nan 8.240 nan 0.000 0.428 404 E N -0.055 119.857 120.200 -0.481 0.000 2.418 404 E HA 0.049 4.399 4.350 0.000 0.000 0.197 404 E C -0.131 176.265 176.600 -0.341 0.000 1.026 404 E CA 0.022 56.226 56.400 -0.326 0.000 0.862 404 E CB -0.052 29.507 29.700 -0.234 0.000 0.799 404 E HN 0.549 nan 8.360 nan 0.000 0.518 405 Y N 1.023 120.877 120.300 -0.744 0.000 2.301 405 Y HA -0.031 4.519 4.550 0.000 0.000 0.325 405 Y C 0.760 176.326 175.900 -0.558 0.000 1.203 405 Y CA -1.444 56.102 58.100 -0.923 0.000 1.255 405 Y CB 0.449 37.980 38.460 -1.548 0.000 1.232 405 Y HN 0.061 nan 8.280 nan 0.000 0.501 406 W N 2.938 123.759 121.300 -0.797 0.000 3.139 406 W HA 0.175 4.835 4.660 0.000 0.000 0.260 406 W C -0.267 175.956 176.519 -0.493 0.000 1.312 406 W CA -0.161 56.861 57.345 -0.538 0.000 1.606 406 W CB -0.232 28.973 29.460 -0.424 0.000 1.118 406 W HN 0.519 nan 8.180 nan 0.000 0.675 407 Q N 1.773 121.054 119.800 -0.865 0.000 2.259 407 Q HA 0.513 4.853 4.340 0.000 0.000 0.246 407 Q C -0.156 175.810 176.000 -0.057 0.000 0.920 407 Q CA -0.281 55.344 55.803 -0.297 0.000 0.895 407 Q CB 1.591 29.997 28.738 -0.553 0.000 1.220 407 Q HN 0.076 nan 8.270 nan 0.000 0.439 408 A N 2.188 125.048 122.820 0.067 0.000 2.363 408 A HA 0.527 4.847 4.320 0.000 0.000 0.270 408 A C -0.588 177.087 177.584 0.152 0.000 1.121 408 A CA 0.004 52.109 52.037 0.113 0.000 0.800 408 A CB 0.322 19.379 19.000 0.096 0.000 1.052 408 A HN 0.741 nan 8.150 nan 0.000 0.493 409 T N -0.032 114.647 114.554 0.208 0.000 2.952 409 T HA 0.643 4.993 4.350 0.000 0.000 0.305 409 T C -0.984 173.929 174.700 0.354 0.000 1.064 409 T CA -0.480 61.788 62.100 0.280 0.000 1.008 409 T CB 1.381 70.459 68.868 0.351 0.000 1.078 409 T HN 1.240 nan 8.240 nan 0.000 0.459 410 W N 5.565 126.929 121.300 0.106 0.000 3.326 410 W HA 0.553 5.213 4.660 0.001 0.000 0.333 410 W C -2.426 174.073 176.519 -0.034 0.000 1.108 410 W CA -1.519 55.856 57.345 0.050 0.000 1.245 410 W CB 1.193 30.632 29.460 -0.035 0.000 1.331 410 W HN 0.935 nan 8.180 nan 0.000 0.464 411 I N 6.008 126.199 120.570 -0.631 0.000 2.493 411 I HA 0.739 4.909 4.170 0.000 0.000 0.298 411 I C -2.165 173.136 176.117 -1.359 0.000 0.998 411 I CA -2.437 58.273 61.300 -0.984 0.000 1.137 411 I CB 1.893 39.254 38.000 -1.065 0.000 1.310 411 I HN 0.117 nan 8.210 nan 0.000 0.445 412 P HA 0.095 nan 4.420 nan 0.000 0.277 412 P C -0.608 176.574 177.300 -0.196 0.000 1.276 412 P CA -0.353 62.410 63.100 -0.562 0.000 0.788 412 P CB 0.341 31.954 31.700 -0.145 0.000 1.114 413 E N 0.485 120.650 120.200 -0.059 0.000 3.601 413 E HA -0.132 4.219 4.350 0.000 0.000 0.255 413 E C -0.478 176.213 176.600 0.151 0.000 0.855 413 E CA 0.775 57.186 56.400 0.019 0.000 0.956 413 E CB -0.193 29.518 29.700 0.018 0.000 0.892 413 E HN 0.311 nan 8.360 nan 0.000 0.575 414 W N 2.881 124.105 121.300 -0.128 0.000 3.018 414 W HA 0.652 5.312 4.660 0.000 0.000 0.352 414 W C -1.153 175.332 176.519 -0.056 0.000 1.230 414 W CA -0.940 56.352 57.345 -0.087 0.000 1.162 414 W CB 0.790 30.145 29.460 -0.174 0.000 1.483 414 W HN 0.299 nan 8.180 nan 0.000 0.584 415 E N 0.753 121.042 120.200 0.147 0.000 2.366 415 E HA 0.321 4.671 4.350 0.000 0.000 0.278 415 E C -1.826 174.959 176.600 0.309 0.000 0.923 415 E CA -0.999 55.401 56.400 0.001 0.000 0.761 415 E CB 3.248 32.958 29.700 0.017 0.000 1.231 415 E HN 0.253 nan 8.360 nan 0.000 0.443 416 F N 2.812 122.805 119.950 0.072 0.000 2.467 416 F HA 0.331 4.858 4.527 0.000 0.000 0.362 416 F C -0.770 175.103 175.800 0.122 0.000 1.090 416 F CA -0.267 57.842 58.000 0.183 0.000 1.202 416 F CB 0.684 39.749 39.000 0.109 0.000 1.113 416 F HN 0.135 nan 8.300 nan 0.000 0.541 417 V N 7.161 126.715 119.914 -0.601 0.000 2.604 417 V HA 0.357 4.477 4.120 0.000 0.000 0.305 417 V C -0.701 174.794 176.094 -0.998 0.000 1.043 417 V CA -0.865 61.048 62.300 -0.645 0.000 0.888 417 V CB 1.651 33.359 31.823 -0.192 0.000 0.995 417 V HN 0.806 nan 8.190 nan 0.000 0.429 418 N N 4.212 122.442 118.700 -0.784 0.000 2.968 418 N HA 0.212 4.952 4.740 0.000 0.000 0.271 418 N C -0.320 175.103 175.510 -0.145 0.000 1.174 418 N CA 0.031 52.819 53.050 -0.437 0.000 1.096 418 N CB 0.231 38.640 38.487 -0.131 0.000 1.403 418 N HN 0.848 nan 8.380 nan 0.000 0.522 419 T N 0.431 114.929 114.554 -0.094 0.000 3.064 419 T HA 0.470 4.821 4.350 0.000 0.000 0.367 419 T C -2.749 171.959 174.700 0.014 0.000 1.202 419 T CA -1.824 60.257 62.100 -0.031 0.000 1.133 419 T CB 1.444 70.295 68.868 -0.028 0.000 1.074 419 T HN 0.098 nan 8.240 nan 0.000 0.519 420 P HA 0.367 nan 4.420 nan 0.000 0.274 420 P C -2.290 175.022 177.300 0.021 0.000 1.231 420 P CA -1.080 62.046 63.100 0.043 0.000 0.790 420 P CB -0.153 31.572 31.700 0.043 0.000 0.951 421 P HA 0.220 nan 4.420 nan 0.000 0.275 421 P C -0.892 176.456 177.300 0.079 0.000 1.227 421 P CA -0.182 62.949 63.100 0.052 0.000 0.781 421 P CB 0.331 32.053 31.700 0.037 0.000 0.906 422 L N 2.625 123.906 121.223 0.097 0.000 2.375 422 L HA 0.215 4.555 4.340 0.000 0.000 0.271 422 L C 0.234 177.153 176.870 0.082 0.000 1.107 422 L CA -0.498 54.412 54.840 0.117 0.000 0.806 422 L CB 1.059 43.187 42.059 0.115 0.000 1.146 422 L HN 0.132 nan 8.230 nan 0.000 0.447 423 V N 3.945 123.921 119.914 0.102 0.000 2.488 423 V HA 0.358 4.479 4.120 0.000 0.000 0.277 423 V C 0.058 176.110 176.094 -0.070 0.000 1.046 423 V CA -0.367 61.971 62.300 0.063 0.000 0.986 423 V CB 0.603 32.488 31.823 0.103 0.000 0.989 423 V HN 0.852 nan 8.190 nan 0.000 0.475 424 K N 4.845 125.119 120.400 -0.211 0.000 2.527 424 K HA 0.661 4.981 4.320 0.000 0.000 0.260 424 K C -1.688 174.611 176.600 -0.502 0.000 0.937 424 K CA -1.063 54.980 56.287 -0.406 0.000 0.826 424 K CB 1.806 33.910 32.500 -0.659 0.000 1.359 424 K HN 0.309 nan 8.250 nan 0.000 0.434 425 L N 1.724 122.714 121.223 -0.389 0.000 2.367 425 L HA 0.245 4.585 4.340 0.000 0.000 0.275 425 L C 0.226 176.902 176.870 -0.323 0.000 1.129 425 L CA -0.345 54.309 54.840 -0.310 0.000 0.839 425 L CB 0.194 42.112 42.059 -0.235 0.000 1.133 425 L HN 0.694 nan 8.230 nan 0.000 0.453 426 W N 2.337 123.591 121.300 -0.076 0.000 3.077 426 W HA 0.119 4.779 4.660 0.000 0.000 0.266 426 W C -0.055 176.561 176.519 0.163 0.000 1.300 426 W CA -0.207 57.170 57.345 0.054 0.000 1.586 426 W CB 0.137 29.663 29.460 0.110 0.000 1.103 426 W HN 0.480 nan 8.180 nan 0.000 0.652 427 Y N -0.593 119.811 120.300 0.174 0.000 2.609 427 Y HA 0.559 5.109 4.550 0.000 0.000 0.336 427 Y C -0.912 175.039 175.900 0.086 0.000 1.129 427 Y CA -2.226 55.943 58.100 0.115 0.000 1.040 427 Y CB 0.483 39.008 38.460 0.109 0.000 1.310 427 Y HN -0.026 nan 8.280 nan 0.000 0.460 428 Q N 2.412 122.294 119.800 0.137 0.000 2.323 428 Q HA 0.674 5.014 4.340 0.000 0.000 0.271 428 Q C -1.885 174.213 176.000 0.163 0.000 1.048 428 Q CA -0.923 54.913 55.803 0.056 0.000 0.792 428 Q CB 2.646 31.404 28.738 0.033 0.000 1.280 428 Q HN 0.810 nan 8.270 nan 0.000 0.441 429 L N 2.149 123.471 121.223 0.165 0.000 2.417 429 L HA 0.262 4.602 4.340 0.000 0.000 0.268 429 L C 0.596 177.551 176.870 0.141 0.000 1.158 429 L CA -0.813 54.126 54.840 0.165 0.000 0.819 429 L CB 0.388 42.528 42.059 0.135 0.000 1.112 429 L HN 0.655 nan 8.230 nan 0.000 0.458 430 E N 2.422 122.731 120.200 0.182 0.000 2.409 430 E HA 0.039 4.389 4.350 0.000 0.000 0.257 430 E C 0.296 177.073 176.600 0.296 0.000 1.150 430 E CA -0.096 56.431 56.400 0.212 0.000 0.942 430 E CB 0.755 30.591 29.700 0.226 0.000 0.979 430 E HN 0.432 nan 8.360 nan 0.000 0.447 431 K N 0.590 121.122 120.400 0.219 0.000 2.348 431 K HA 0.167 4.487 4.320 0.000 0.000 0.194 431 K C 0.188 176.928 176.600 0.234 0.000 1.052 431 K CA 0.327 56.735 56.287 0.202 0.000 1.004 431 K CB 0.873 33.425 32.500 0.086 0.000 0.873 431 K HN 0.311 nan 8.250 nan 0.000 0.523 432 E N 1.164 121.391 120.200 0.046 0.000 2.340 432 E HA 0.346 4.697 4.350 0.000 0.000 0.273 432 E C -2.746 173.408 176.600 -0.743 0.000 0.891 432 E CA -2.398 53.836 56.400 -0.276 0.000 0.757 432 E CB 2.285 31.898 29.700 -0.144 0.000 1.231 432 E HN -0.150 nan 8.360 nan 0.000 0.439 433 P HA 0.190 nan 4.420 nan 0.000 0.269 433 P C -0.058 177.038 177.300 -0.341 0.000 1.215 433 P CA 0.032 62.592 63.100 -0.901 0.000 0.780 433 P CB 0.656 32.001 31.700 -0.593 0.000 0.898 434 I N 1.728 122.187 120.570 -0.185 0.000 2.331 434 I HA 0.174 4.345 4.170 0.000 0.000 0.292 434 I C 0.423 176.512 176.117 -0.047 0.000 0.998 434 I CA -1.032 60.224 61.300 -0.074 0.000 1.267 434 I CB 1.238 39.232 38.000 -0.010 0.000 1.386 434 I HN 0.015 nan 8.210 nan 0.000 0.476 435 V N 4.688 124.579 119.914 -0.038 0.000 2.686 435 V HA 0.416 4.536 4.120 0.000 0.000 0.295 435 V C 1.235 177.324 176.094 -0.007 0.000 1.057 435 V CA -0.073 62.213 62.300 -0.023 0.000 1.012 435 V CB 0.872 32.681 31.823 -0.024 0.000 1.006 435 V HN 1.116 nan 8.190 nan 0.000 0.477 436 G N 2.508 111.308 108.800 -0.000 0.000 2.168 436 G HA2 -0.059 3.901 3.960 0.000 0.000 0.257 436 G HA3 -0.059 3.901 3.960 0.000 0.000 0.257 436 G C 0.228 175.138 174.900 0.017 0.000 0.997 436 G CA 0.308 45.413 45.100 0.007 0.000 0.708 436 G HN 1.582 nan 8.290 nan 0.000 0.520 437 A N -0.559 122.274 122.820 0.022 0.000 2.324 437 A HA 0.777 5.097 4.320 0.000 0.000 0.330 437 A C 0.231 177.850 177.584 0.057 0.000 1.165 437 A CA -0.038 52.025 52.037 0.043 0.000 0.813 437 A CB 0.957 19.983 19.000 0.043 0.000 1.197 437 A HN 0.518 nan 8.150 nan 0.000 0.484 438 E N 0.618 120.872 120.200 0.089 0.000 2.398 438 E HA 0.261 4.611 4.350 0.000 0.000 0.263 438 E C -0.667 176.020 176.600 0.144 0.000 1.046 438 E CA 0.189 56.642 56.400 0.088 0.000 0.908 438 E CB 0.514 30.285 29.700 0.118 0.000 0.963 438 E HN 0.527 nan 8.360 nan 0.000 0.431 439 T N 4.768 119.367 114.554 0.074 0.000 2.770 439 T HA 0.280 4.630 4.350 0.000 0.000 0.297 439 T C -0.928 173.802 174.700 0.050 0.000 0.997 439 T CA -0.382 61.769 62.100 0.085 0.000 0.949 439 T CB -0.063 68.830 68.868 0.042 0.000 0.941 439 T HN 0.229 nan 8.240 nan 0.000 0.457 440 F N 3.449 123.337 119.950 -0.103 0.000 2.368 440 F HA 0.350 4.877 4.527 0.000 0.000 0.362 440 F C 0.107 175.863 175.800 -0.073 0.000 1.137 440 F CA -1.353 56.598 58.000 -0.081 0.000 1.161 440 F CB 0.101 38.985 39.000 -0.193 0.000 1.265 440 F HN 0.520 nan 8.300 nan 0.000 0.530 441 Y N 3.032 123.407 120.300 0.125 0.000 2.480 441 Y HA 0.374 4.924 4.550 0.000 0.000 0.341 441 Y C 0.470 176.466 175.900 0.160 0.000 1.031 441 Y CA -0.689 57.472 58.100 0.101 0.000 1.295 441 Y CB 0.373 38.857 38.460 0.040 0.000 1.162 441 Y HN 0.380 nan 8.280 nan 0.000 0.523 442 V N 0.559 120.614 119.914 0.234 0.000 2.881 442 V HA 0.851 4.971 4.120 0.000 0.000 0.316 442 V C -0.877 175.309 176.094 0.153 0.000 1.070 442 V CA -0.484 61.954 62.300 0.230 0.000 0.976 442 V CB 2.187 34.127 31.823 0.195 0.000 1.038 442 V HN 0.668 nan 8.190 nan 0.000 0.446 443 D N 0.651 121.133 120.400 0.136 0.000 2.639 443 D HA 0.778 5.418 4.640 0.000 0.000 0.271 443 D C -0.640 175.710 176.300 0.083 0.000 1.254 443 D CA 0.455 54.507 54.000 0.086 0.000 0.810 443 D CB 2.156 42.984 40.800 0.046 0.000 1.351 443 D HN 1.233 nan 8.370 nan 0.000 0.427 444 G N -0.342 108.499 108.800 0.070 0.000 2.753 444 G HA2 0.714 4.674 3.960 0.000 0.000 0.295 444 G HA3 0.714 4.674 3.960 0.000 0.000 0.295 444 G C -1.478 173.459 174.900 0.061 0.000 1.437 444 G CA -0.084 45.057 45.100 0.069 0.000 1.094 444 G HN 0.514 nan 8.290 nan 0.000 0.540 445 A N 0.619 123.471 122.820 0.053 0.000 2.354 445 A HA 1.048 5.368 4.320 0.000 0.000 0.321 445 A C -0.101 177.511 177.584 0.047 0.000 1.125 445 A CA -0.298 51.772 52.037 0.054 0.000 0.799 445 A CB 1.960 20.990 19.000 0.050 0.000 1.293 445 A HN 2.339 nan 8.150 nan 0.000 0.452 446 A N 1.536 124.383 122.820 0.045 0.000 2.466 446 A HA 0.551 4.871 4.320 0.000 0.000 0.284 446 A C -0.685 176.917 177.584 0.031 0.000 1.049 446 A CA -0.655 51.404 52.037 0.036 0.000 0.760 446 A CB 0.715 19.736 19.000 0.035 0.000 1.274 446 A HN 0.803 nan 8.150 nan 0.000 0.412 447 N N 1.091 119.806 118.700 0.025 0.000 2.412 447 N HA 0.002 4.742 4.740 0.000 0.000 0.258 447 N C 0.901 176.422 175.510 0.017 0.000 1.236 447 N CA 0.243 53.305 53.050 0.020 0.000 0.882 447 N CB 0.841 39.338 38.487 0.017 0.000 1.066 447 N HN 0.702 nan 8.380 nan 0.000 0.465 448 R N 2.511 123.020 120.500 0.015 0.000 2.276 448 R HA 0.002 4.342 4.340 0.000 0.000 0.203 448 R C 0.765 177.071 176.300 0.010 0.000 1.017 448 R CA 1.224 57.331 56.100 0.012 0.000 1.010 448 R CB 0.332 30.638 30.300 0.010 0.000 0.900 448 R HN 0.630 nan 8.270 nan 0.000 0.469 449 E N -2.491 117.715 120.200 0.010 0.000 2.306 449 E HA 0.021 4.371 4.350 0.000 0.000 0.201 449 E C 1.511 178.116 176.600 0.009 0.000 0.874 449 E CA 1.130 57.535 56.400 0.008 0.000 0.972 449 E CB 0.476 30.180 29.700 0.007 0.000 0.957 449 E HN 0.337 nan 8.360 nan 0.000 0.492 450 T N -1.208 113.352 114.554 0.010 0.000 3.043 450 T HA 0.030 4.381 4.350 0.000 0.000 0.263 450 T C 0.835 175.542 174.700 0.012 0.000 1.094 450 T CA 0.765 62.871 62.100 0.010 0.000 1.127 450 T CB -0.090 68.784 68.868 0.011 0.000 0.905 450 T HN -0.025 nan 8.240 nan 0.000 0.490 451 K N -0.332 120.077 120.400 0.014 0.000 3.426 451 K HA -0.124 4.196 4.320 0.000 0.000 0.315 451 K C -0.115 176.496 176.600 0.018 0.000 1.293 451 K CA 0.583 56.880 56.287 0.016 0.000 0.955 451 K CB -2.486 30.022 32.500 0.015 0.000 1.238 451 K HN 0.479 nan 8.250 nan 0.000 0.441 452 L N -0.174 121.059 121.223 0.017 0.000 2.467 452 L HA 0.363 4.703 4.340 0.000 0.000 0.270 452 L C 1.274 178.158 176.870 0.023 0.000 1.205 452 L CA 0.809 55.660 54.840 0.019 0.000 0.828 452 L CB 0.640 42.708 42.059 0.016 0.000 1.101 452 L HN 0.257 nan 8.230 nan 0.000 0.479 453 G N 1.012 109.827 108.800 0.026 0.000 2.818 453 G HA2 0.637 4.597 3.960 0.000 0.000 0.286 453 G HA3 0.637 4.597 3.960 0.000 0.000 0.286 453 G C -1.498 173.418 174.900 0.027 0.000 1.364 453 G CA -0.551 44.567 45.100 0.030 0.000 0.938 453 G HN 0.333 nan 8.290 nan 0.000 0.490 454 K N -0.214 120.204 120.400 0.030 0.000 2.507 454 K HA 0.630 4.950 4.320 0.000 0.000 0.251 454 K C -1.149 175.470 176.600 0.031 0.000 0.943 454 K CA -0.608 55.692 56.287 0.023 0.000 0.794 454 K CB 2.372 34.880 32.500 0.014 0.000 1.188 454 K HN 0.696 nan 8.250 nan 0.000 0.428 455 A N 1.818 124.655 122.820 0.030 0.000 2.331 455 A HA 0.882 5.202 4.320 0.000 0.000 0.320 455 A C -0.233 177.362 177.584 0.018 0.000 1.138 455 A CA -0.447 51.618 52.037 0.046 0.000 0.790 455 A CB 1.571 20.613 19.000 0.069 0.000 1.206 455 A HN 0.752 nan 8.150 nan 0.000 0.470 456 G N 0.091 108.912 108.800 0.034 0.000 2.721 456 G HA2 0.759 4.719 3.960 0.000 0.000 0.296 456 G HA3 0.759 4.719 3.960 0.000 0.000 0.296 456 G C -1.357 173.604 174.900 0.103 0.000 1.383 456 G CA -0.171 44.908 45.100 -0.035 0.000 0.788 456 G HN 1.726 nan 8.290 nan 0.000 0.500 457 Y N -3.040 117.320 120.300 0.099 0.000 2.656 457 Y HA 0.802 5.353 4.550 0.000 0.000 0.334 457 Y C -1.316 174.625 175.900 0.068 0.000 1.179 457 Y CA -1.640 56.541 58.100 0.134 0.000 1.050 457 Y CB 1.035 39.659 38.460 0.273 0.000 1.308 457 Y HN 0.616 nan 8.280 nan 0.000 0.456 458 V N 1.399 121.540 119.914 0.379 0.000 2.962 458 V HA 0.844 4.964 4.120 0.000 0.000 0.313 458 V C -0.365 175.788 176.094 0.098 0.000 1.099 458 V CA -0.064 62.351 62.300 0.191 0.000 0.971 458 V CB 2.221 34.080 31.823 0.061 0.000 1.028 458 V HN 1.212 nan 8.190 nan 0.000 0.430 459 T N -0.987 113.536 114.554 -0.051 0.000 2.864 459 T HA 0.344 4.694 4.350 0.000 0.000 0.289 459 T C 0.506 175.165 174.700 -0.069 0.000 1.082 459 T CA -0.373 61.625 62.100 -0.171 0.000 1.009 459 T CB 1.780 70.334 68.868 -0.523 0.000 1.234 459 T HN 0.686 nan 8.240 nan 0.000 0.526 460 N N 0.176 118.856 118.700 -0.034 0.000 2.398 460 N HA 0.002 4.742 4.740 0.000 0.000 0.188 460 N C 0.970 176.458 175.510 -0.036 0.000 1.122 460 N CA -0.069 52.978 53.050 -0.004 0.000 0.866 460 N CB -0.138 38.383 38.487 0.057 0.000 0.970 460 N HN 0.620 nan 8.380 nan 0.000 0.462 461 R N -0.495 119.961 120.500 -0.073 0.000 2.427 461 R HA 0.228 4.568 4.340 0.000 0.000 0.262 461 R C 0.665 176.931 176.300 -0.058 0.000 0.943 461 R CA 0.423 56.487 56.100 -0.060 0.000 1.081 461 R CB 0.400 30.661 30.300 -0.065 0.000 1.166 461 R HN 0.373 nan 8.270 nan 0.000 0.534 462 G N 1.354 110.116 108.800 -0.063 0.000 2.284 462 G HA2 -0.300 3.660 3.960 0.000 0.000 0.230 462 G HA3 -0.300 3.660 3.960 0.000 0.000 0.230 462 G C 0.251 175.132 174.900 -0.031 0.000 1.021 462 G CA -0.436 44.638 45.100 -0.043 0.000 0.619 462 G HN 0.254 nan 8.290 nan 0.000 0.510 463 R N 1.354 121.832 120.500 -0.038 0.000 2.697 463 R HA 0.320 4.660 4.340 0.000 0.000 0.265 463 R C 0.158 176.515 176.300 0.095 0.000 1.009 463 R CA 1.059 57.178 56.100 0.032 0.000 1.099 463 R CB 0.012 30.341 30.300 0.048 0.000 0.965 463 R HN 0.665 nan 8.270 nan 0.000 0.428 464 Q N 1.900 121.747 119.800 0.079 0.000 2.280 464 Q HA 0.376 4.717 4.340 0.000 0.000 0.259 464 Q C -1.365 174.512 176.000 -0.204 0.000 0.964 464 Q CA -0.824 54.958 55.803 -0.035 0.000 0.844 464 Q CB 2.740 31.452 28.738 -0.042 0.000 1.334 464 Q HN 0.424 nan 8.270 nan 0.000 0.423 465 K N 1.363 121.390 120.400 -0.622 0.000 2.375 465 K HA 0.721 5.041 4.320 0.000 0.000 0.249 465 K C -1.485 174.832 176.600 -0.473 0.000 0.942 465 K CA -0.814 55.150 56.287 -0.538 0.000 0.806 465 K CB 2.246 34.385 32.500 -0.602 0.000 1.227 465 K HN 0.471 nan 8.250 nan 0.000 0.430 466 V N 4.242 124.010 119.914 -0.245 0.000 2.675 466 V HA 0.156 4.276 4.120 0.000 0.000 0.266 466 V C -0.199 175.843 176.094 -0.086 0.000 0.974 466 V CA -0.995 61.215 62.300 -0.150 0.000 0.890 466 V CB 0.838 32.599 31.823 -0.104 0.000 1.055 466 V HN 0.644 nan 8.190 nan 0.000 0.477 467 V N 1.443 121.318 119.914 -0.065 0.000 3.295 467 V HA 0.816 4.936 4.120 0.000 0.000 0.308 467 V C 0.237 176.326 176.094 -0.010 0.000 1.068 467 V CA -0.179 62.104 62.300 -0.029 0.000 1.062 467 V CB 1.565 33.382 31.823 -0.011 0.000 1.162 467 V HN 0.671 nan 8.190 nan 0.000 0.456 468 T N 2.274 116.830 114.554 0.002 0.000 2.848 468 T HA 0.760 5.110 4.350 0.000 0.000 0.285 468 T C -0.691 174.020 174.700 0.018 0.000 0.995 468 T CA -0.178 61.927 62.100 0.009 0.000 0.970 468 T CB 1.240 70.111 68.868 0.005 0.000 0.976 468 T HN 0.616 nan 8.240 nan 0.000 0.441 469 L N 2.065 123.302 121.223 0.024 0.000 2.256 469 L HA 0.894 5.234 4.340 0.000 0.000 0.261 469 L C 0.344 177.230 176.870 0.026 0.000 1.022 469 L CA -0.767 54.092 54.840 0.030 0.000 0.828 469 L CB 2.398 44.482 42.059 0.041 0.000 1.374 469 L HN 0.795 nan 8.230 nan 0.000 0.436 470 T N -3.808 110.762 114.554 0.027 0.000 2.883 470 T HA 0.322 4.672 4.350 0.000 0.000 0.301 470 T C -0.631 174.083 174.700 0.024 0.000 1.158 470 T CA -0.774 61.339 62.100 0.023 0.000 1.007 470 T CB 1.518 70.398 68.868 0.019 0.000 1.186 470 T HN 0.627 nan 8.240 nan 0.000 0.499 471 D N 2.063 122.476 120.400 0.021 0.000 3.783 471 D HA -0.145 4.495 4.640 0.000 0.000 0.188 471 D C 0.097 176.412 176.300 0.025 0.000 1.235 471 D CA 1.866 55.878 54.000 0.021 0.000 0.815 471 D CB -0.591 40.220 40.800 0.018 0.000 0.923 471 D HN 1.020 nan 8.370 nan 0.000 0.462 472 T N -0.908 113.662 114.554 0.027 0.000 2.816 472 T HA 0.659 5.009 4.350 0.000 0.000 0.299 472 T C 0.205 174.922 174.700 0.029 0.000 1.230 472 T CA -0.562 61.557 62.100 0.032 0.000 1.007 472 T CB 2.045 70.938 68.868 0.042 0.000 1.289 472 T HN 0.157 nan 8.240 nan 0.000 0.508 473 T N -1.137 113.435 114.554 0.030 0.000 2.923 473 T HA 0.439 4.789 4.350 0.000 0.000 0.281 473 T C 1.094 175.812 174.700 0.030 0.000 0.995 473 T CA -0.896 61.217 62.100 0.021 0.000 0.985 473 T CB 0.879 69.751 68.868 0.007 0.000 1.114 473 T HN 0.624 nan 8.240 nan 0.000 0.548 474 N N -0.001 118.713 118.700 0.023 0.000 2.149 474 N HA -0.164 4.576 4.740 0.000 0.000 0.188 474 N C 1.996 177.536 175.510 0.051 0.000 1.019 474 N CA 1.331 54.404 53.050 0.038 0.000 0.857 474 N CB -0.038 38.470 38.487 0.034 0.000 0.997 474 N HN 0.607 nan 8.380 nan 0.000 0.426 475 Q N 0.901 120.708 119.800 0.012 0.000 2.020 475 Q HA -0.118 4.222 4.340 0.000 0.000 0.202 475 Q C 1.945 178.036 176.000 0.151 0.000 0.982 475 Q CA 1.278 57.103 55.803 0.036 0.000 0.838 475 Q CB -0.041 28.585 28.738 -0.186 0.000 0.899 475 Q HN 0.269 nan 8.270 nan 0.000 0.423 476 K N 0.054 120.520 120.400 0.109 0.000 2.044 476 K HA -0.179 4.141 4.320 0.000 0.000 0.210 476 K C 2.395 179.062 176.600 0.112 0.000 1.049 476 K CA 1.910 58.267 56.287 0.117 0.000 0.927 476 K CB -0.358 32.192 32.500 0.082 0.000 0.713 476 K HN 0.401 nan 8.250 nan 0.000 0.443 477 T N -0.030 114.580 114.554 0.095 0.000 2.684 477 T HA -0.168 4.182 4.350 0.000 0.000 0.267 477 T C 1.596 176.362 174.700 0.111 0.000 1.036 477 T CA 1.248 63.404 62.100 0.093 0.000 1.148 477 T CB -0.293 68.621 68.868 0.075 0.000 0.863 477 T HN 0.205 nan 8.240 nan 0.000 0.436 478 E N 0.603 120.879 120.200 0.126 0.000 2.409 478 E HA 0.029 4.379 4.350 0.000 0.000 0.198 478 E C 1.869 178.550 176.600 0.136 0.000 1.024 478 E CA 0.418 56.899 56.400 0.136 0.000 0.861 478 E CB -0.152 29.641 29.700 0.154 0.000 0.788 478 E HN 0.383 nan 8.360 nan 0.000 0.521 479 L N 0.344 121.650 121.223 0.139 0.000 2.316 479 L HA -0.008 4.332 4.340 0.000 0.000 0.207 479 L C 2.313 179.257 176.870 0.123 0.000 1.070 479 L CA 1.173 56.080 54.840 0.111 0.000 0.820 479 L CB -0.175 41.950 42.059 0.110 0.000 0.992 479 L HN -0.085 nan 8.230 nan 0.000 0.466 480 Q N -0.294 119.586 119.800 0.134 0.000 2.084 480 Q HA -0.119 4.221 4.340 0.000 0.000 0.202 480 Q C 2.210 178.314 176.000 0.173 0.000 0.978 480 Q CA 1.945 57.849 55.803 0.168 0.000 0.844 480 Q CB -0.303 28.515 28.738 0.134 0.000 0.898 480 Q HN 0.511 nan 8.270 nan 0.000 0.426 481 A N -0.240 122.667 122.820 0.145 0.000 1.978 481 A HA -0.172 4.148 4.320 0.000 0.000 0.220 481 A C 1.998 179.676 177.584 0.157 0.000 1.170 481 A CA 1.464 53.597 52.037 0.159 0.000 0.636 481 A CB -0.629 18.460 19.000 0.148 0.000 0.810 481 A HN 0.470 nan 8.150 nan 0.000 0.448 482 I N -2.529 118.116 120.570 0.125 0.000 2.333 482 I HA -0.147 4.023 4.170 0.000 0.000 0.246 482 I C 2.347 178.518 176.117 0.090 0.000 1.106 482 I CA 0.937 62.281 61.300 0.074 0.000 1.411 482 I CB -0.373 37.653 38.000 0.043 0.000 1.082 482 I HN 0.439 nan 8.210 nan 0.000 0.420 483 Y N 1.696 121.984 120.300 -0.020 0.000 2.181 483 Y HA -0.272 4.278 4.550 0.000 0.000 0.284 483 Y C 2.197 178.082 175.900 -0.026 0.000 1.179 483 Y CA 1.462 59.542 58.100 -0.033 0.000 1.179 483 Y CB -0.411 38.043 38.460 -0.010 0.000 0.973 483 Y HN 0.083 nan 8.280 nan 0.000 0.519 484 L N -1.114 120.109 121.223 0.000 0.000 2.044 484 L HA -0.152 4.188 4.340 0.000 0.000 0.205 484 L C 2.696 179.514 176.870 -0.086 0.000 1.075 484 L CA 1.158 55.980 54.840 -0.030 0.000 0.747 484 L CB -0.973 41.214 42.059 0.213 0.000 0.903 484 L HN 0.267 nan 8.230 nan 0.000 0.435 485 A N 0.141 122.860 122.820 -0.169 0.000 1.940 485 A HA -0.205 4.115 4.320 0.000 0.000 0.219 485 A C 2.149 179.268 177.584 -0.774 0.000 1.176 485 A CA 1.542 53.118 52.037 -0.767 0.000 0.631 485 A CB -0.668 17.897 19.000 -0.724 0.000 0.814 485 A HN 0.417 nan 8.150 nan 0.000 0.446 486 L N -1.215 119.769 121.223 -0.399 0.000 2.217 486 L HA -0.156 4.184 4.340 0.000 0.000 0.211 486 L C 2.823 179.536 176.870 -0.261 0.000 1.107 486 L CA 0.948 55.609 54.840 -0.298 0.000 0.783 486 L CB -0.472 41.512 42.059 -0.125 0.000 0.919 486 L HN 0.466 nan 8.230 nan 0.000 0.442 487 Q N 0.096 119.714 119.800 -0.304 0.000 2.020 487 Q HA -0.179 4.161 4.340 0.000 0.000 0.198 487 Q C 1.447 177.346 176.000 -0.169 0.000 0.974 487 Q CA 1.476 57.117 55.803 -0.271 0.000 0.829 487 Q CB -0.010 28.484 28.738 -0.406 0.000 0.894 487 Q HN 0.444 nan 8.270 nan 0.000 0.433 488 D N 0.272 120.589 120.400 -0.139 0.000 2.371 488 D HA -0.010 4.631 4.640 0.000 0.000 0.221 488 D C 0.673 176.967 176.300 -0.010 0.000 0.986 488 D CA 0.317 54.312 54.000 -0.007 0.000 0.899 488 D CB 0.102 41.011 40.800 0.182 0.000 0.902 488 D HN -0.032 nan 8.370 nan 0.000 0.530 489 S N -0.991 114.610 115.700 -0.165 0.000 2.713 489 S HA 0.622 5.093 4.470 0.000 0.000 0.277 489 S C 0.631 175.201 174.600 -0.049 0.000 1.168 489 S CA -0.515 57.612 58.200 -0.122 0.000 0.994 489 S CB 1.312 64.230 63.200 -0.470 0.000 1.054 489 S HN 0.121 nan 8.310 nan 0.000 0.555 490 G N 0.152 108.951 108.800 -0.001 0.000 2.531 490 G HA2 0.406 4.366 3.960 0.000 0.000 0.281 490 G HA3 0.406 4.366 3.960 0.000 0.000 0.281 490 G C 0.641 175.534 174.900 -0.012 0.000 1.382 490 G CA -0.633 44.469 45.100 0.004 0.000 1.045 490 G HN 0.697 nan 8.290 nan 0.000 0.533 491 L N -0.588 120.636 121.223 0.002 0.000 2.291 491 L HA 0.130 4.470 4.340 0.000 0.000 0.214 491 L C 0.686 177.560 176.870 0.007 0.000 1.120 491 L CA 1.034 55.876 54.840 0.002 0.000 0.799 491 L CB -0.187 41.878 42.059 0.011 0.000 0.925 491 L HN 0.448 nan 8.230 nan 0.000 0.446 492 E N -0.466 119.742 120.200 0.014 0.000 2.234 492 E HA 0.499 4.850 4.350 0.000 0.000 0.266 492 E C -1.285 175.331 176.600 0.027 0.000 0.877 492 E CA -0.281 56.133 56.400 0.022 0.000 0.758 492 E CB 3.326 33.042 29.700 0.027 0.000 1.170 492 E HN -0.193 nan 8.360 nan 0.000 0.415 493 V N 3.100 123.030 119.914 0.026 0.000 2.932 493 V HA 0.402 4.522 4.120 0.000 0.000 0.307 493 V C -1.627 174.510 176.094 0.072 0.000 1.147 493 V CA -0.662 61.658 62.300 0.034 0.000 0.951 493 V CB 2.211 33.990 31.823 -0.072 0.000 1.031 493 V HN 0.685 nan 8.190 nan 0.000 0.426 494 N N 5.899 124.665 118.700 0.110 0.000 2.405 494 N HA 0.644 5.384 4.740 0.000 0.000 0.299 494 N C -1.245 174.314 175.510 0.083 0.000 1.075 494 N CA -0.348 52.785 53.050 0.140 0.000 0.884 494 N CB 2.415 40.984 38.487 0.138 0.000 1.194 494 N HN 0.568 nan 8.380 nan 0.000 0.491 495 I N 1.725 122.311 120.570 0.028 0.000 2.512 495 I HA 0.283 4.453 4.170 0.000 0.000 0.287 495 I C -0.677 175.393 176.117 -0.077 0.000 1.069 495 I CA -0.894 60.391 61.300 -0.025 0.000 1.056 495 I CB 2.232 40.200 38.000 -0.053 0.000 1.229 495 I HN 0.026 nan 8.210 nan 0.000 0.429 496 V N 4.405 124.230 119.914 -0.149 0.000 2.513 496 V HA 0.645 4.765 4.120 0.000 0.000 0.299 496 V C -0.029 176.022 176.094 -0.072 0.000 1.035 496 V CA -0.366 61.822 62.300 -0.186 0.000 0.889 496 V CB 1.900 33.425 31.823 -0.498 0.000 0.988 496 V HN 0.813 nan 8.190 nan 0.000 0.440 497 T N 1.058 115.590 114.554 -0.036 0.000 2.883 497 T HA 0.418 4.768 4.350 0.000 0.000 0.301 497 T C -0.028 174.624 174.700 -0.079 0.000 1.158 497 T CA -0.130 61.977 62.100 0.011 0.000 1.007 497 T CB 1.891 70.811 68.868 0.087 0.000 1.186 497 T HN 0.892 nan 8.240 nan 0.000 0.499 498 D N 0.497 120.867 120.400 -0.049 0.000 2.379 498 D HA 0.182 4.822 4.640 0.000 0.000 0.208 498 D C 0.694 177.165 176.300 0.285 0.000 1.065 498 D CA -0.127 53.798 54.000 -0.126 0.000 0.848 498 D CB 0.231 40.952 40.800 -0.131 0.000 0.949 498 D HN 0.314 nan 8.370 nan 0.000 0.509 499 S N 0.405 116.294 115.700 0.316 0.000 2.422 499 S HA 0.035 4.505 4.470 0.000 0.000 0.283 499 S C 1.087 175.923 174.600 0.393 0.000 1.163 499 S CA -0.613 57.800 58.200 0.356 0.000 1.054 499 S CB 1.199 64.560 63.200 0.267 0.000 0.967 499 S HN 0.278 nan 8.310 nan 0.000 0.499 500 Q N 4.221 124.190 119.800 0.283 0.000 2.170 500 Q HA -0.195 4.145 4.340 0.000 0.000 0.203 500 Q C 1.382 177.419 176.000 0.061 0.000 0.976 500 Q CA 1.769 57.550 55.803 -0.037 0.000 0.858 500 Q CB -0.286 28.319 28.738 -0.221 0.000 0.907 500 Q HN 1.007 nan 8.270 nan 0.000 0.433 501 Y N 0.096 120.415 120.300 0.031 0.000 2.145 501 Y HA -0.161 4.389 4.550 0.000 0.000 0.286 501 Y C 2.025 177.957 175.900 0.053 0.000 1.145 501 Y CA 1.666 59.791 58.100 0.043 0.000 1.148 501 Y CB -0.681 37.816 38.460 0.062 0.000 0.981 501 Y HN 0.189 nan 8.280 nan 0.000 0.507 502 A N 0.392 123.203 122.820 -0.014 0.000 1.877 502 A HA -0.183 4.137 4.320 0.000 0.000 0.216 502 A C 2.251 179.776 177.584 -0.098 0.000 1.186 502 A CA 1.718 53.674 52.037 -0.135 0.000 0.620 502 A CB -1.356 17.671 19.000 0.046 0.000 0.822 502 A HN 0.565 nan 8.150 nan 0.000 0.443 503 L N 0.115 121.338 121.223 -0.000 0.000 2.013 503 L HA -0.130 4.210 4.340 0.000 0.000 0.212 503 L C 2.490 179.354 176.870 -0.011 0.000 1.073 503 L CA 2.371 57.214 54.840 0.005 0.000 0.753 503 L CB -0.997 41.069 42.059 0.012 0.000 0.890 503 L HN 0.370 nan 8.230 nan 0.000 0.432 504 G N -0.202 108.579 108.800 -0.033 0.000 2.586 504 G HA2 -0.341 3.619 3.960 0.000 0.000 0.218 504 G HA3 -0.341 3.619 3.960 0.000 0.000 0.218 504 G C 1.605 176.533 174.900 0.046 0.000 1.216 504 G CA 1.468 46.578 45.100 0.016 0.000 0.786 504 G HN 0.482 nan 8.290 nan 0.000 0.583 505 I N 0.567 121.075 120.570 -0.103 0.000 2.118 505 I HA -0.232 3.938 4.170 0.000 0.000 0.241 505 I C 2.752 178.853 176.117 -0.026 0.000 1.070 505 I CA 1.294 62.507 61.300 -0.145 0.000 1.327 505 I CB -0.230 37.505 38.000 -0.440 0.000 1.034 505 I HN 0.197 nan 8.210 nan 0.000 0.405 506 I N -0.352 120.203 120.570 -0.025 0.000 2.333 506 I HA -0.223 3.947 4.170 0.000 0.000 0.246 506 I C 2.569 178.772 176.117 0.144 0.000 1.106 506 I CA 0.877 62.212 61.300 0.058 0.000 1.411 506 I CB -0.468 37.543 38.000 0.017 0.000 1.082 506 I HN 0.270 nan 8.210 nan 0.000 0.420 507 Q N 0.940 120.815 119.800 0.124 0.000 2.197 507 Q HA -0.196 4.144 4.340 0.000 0.000 0.207 507 Q C 2.253 178.393 176.000 0.234 0.000 0.984 507 Q CA 1.714 57.615 55.803 0.162 0.000 0.869 507 Q CB -0.338 28.493 28.738 0.156 0.000 0.906 507 Q HN 0.569 nan 8.270 nan 0.000 0.426 508 A N 0.781 123.773 122.820 0.286 0.000 2.264 508 A HA -0.129 4.192 4.320 0.000 0.000 0.207 508 A C 0.412 178.161 177.584 0.275 0.000 1.196 508 A CA 0.323 52.574 52.037 0.356 0.000 0.778 508 A CB -0.342 18.885 19.000 0.378 0.000 0.779 508 A HN 0.453 nan 8.150 nan 0.000 0.483 509 Q N -1.960 117.946 119.800 0.177 0.000 2.451 509 Q HA -0.143 4.197 4.340 0.000 0.000 0.305 509 Q C -2.193 173.819 176.000 0.020 0.000 1.345 509 Q CA 0.350 56.126 55.803 -0.044 0.000 0.854 509 Q CB -1.900 26.731 28.738 -0.178 0.000 1.162 509 Q HN 0.495 nan 8.270 nan 0.000 0.440 510 P HA -0.058 nan 4.420 nan 0.000 0.268 510 P C 0.242 177.665 177.300 0.205 0.000 1.208 510 P CA 0.605 63.799 63.100 0.156 0.000 0.777 510 P CB 0.467 32.252 31.700 0.143 0.000 0.875 511 D N -0.744 119.740 120.400 0.141 0.000 2.527 511 D HA 0.090 4.730 4.640 0.000 0.000 0.224 511 D C -0.106 176.233 176.300 0.065 0.000 1.217 511 D CA 0.142 54.224 54.000 0.137 0.000 0.819 511 D CB 0.186 41.098 40.800 0.186 0.000 1.061 511 D HN 0.290 nan 8.370 nan 0.000 0.515 512 Q N -0.215 119.633 119.800 0.081 0.000 2.309 512 Q HA 0.647 4.987 4.340 0.000 0.000 0.273 512 Q C -1.627 174.433 176.000 0.100 0.000 1.040 512 Q CA -0.606 55.235 55.803 0.063 0.000 0.834 512 Q CB 2.701 31.481 28.738 0.069 0.000 1.345 512 Q HN 0.024 nan 8.270 nan 0.000 0.414 513 S N 0.559 116.308 115.700 0.083 0.000 2.607 513 S HA 0.280 4.751 4.470 0.000 0.000 0.273 513 S C -0.493 174.156 174.600 0.082 0.000 1.148 513 S CA -0.477 57.807 58.200 0.141 0.000 0.833 513 S CB 1.553 64.898 63.200 0.242 0.000 1.130 513 S HN 0.695 nan 8.310 nan 0.000 0.470 514 E N 0.610 120.860 120.200 0.084 0.000 2.489 514 E HA 0.160 4.510 4.350 0.000 0.000 0.193 514 E C -0.182 176.453 176.600 0.059 0.000 1.057 514 E CA 0.012 56.437 56.400 0.041 0.000 0.866 514 E CB 0.575 30.275 29.700 0.001 0.000 0.916 514 E HN 0.294 nan 8.360 nan 0.000 0.500 515 S N -0.105 115.653 115.700 0.097 0.000 2.509 515 S HA 0.136 4.606 4.470 0.000 0.000 0.297 515 S C 0.607 175.221 174.600 0.023 0.000 1.118 515 S CA -0.600 57.647 58.200 0.078 0.000 1.074 515 S CB 1.638 64.913 63.200 0.125 0.000 1.038 515 S HN 0.053 nan 8.310 nan 0.000 0.498 516 E N 3.694 123.891 120.200 -0.004 0.000 2.051 516 E HA 0.039 4.389 4.350 0.000 0.000 0.189 516 E C 1.809 178.347 176.600 -0.103 0.000 0.979 516 E CA 1.022 57.396 56.400 -0.043 0.000 0.803 516 E CB -0.315 29.365 29.700 -0.034 0.000 0.761 516 E HN 0.750 nan 8.360 nan 0.000 0.451 517 L N -0.048 121.115 121.223 -0.100 0.000 2.010 517 L HA -0.269 4.071 4.340 0.000 0.000 0.219 517 L C 2.226 178.967 176.870 -0.216 0.000 1.077 517 L CA 1.716 56.450 54.840 -0.176 0.000 0.773 517 L CB -0.374 41.641 42.059 -0.073 0.000 0.892 517 L HN 0.157 nan 8.230 nan 0.000 0.436 518 V N -0.191 119.651 119.914 -0.121 0.000 2.515 518 V HA -0.245 3.875 4.120 0.000 0.000 0.250 518 V C 2.137 178.150 176.094 -0.134 0.000 1.058 518 V CA 1.675 63.897 62.300 -0.131 0.000 1.064 518 V CB -0.749 31.005 31.823 -0.115 0.000 0.675 518 V HN 0.505 nan 8.190 nan 0.000 0.461 519 N N 0.124 118.757 118.700 -0.111 0.000 2.244 519 N HA -0.156 4.584 4.740 0.000 0.000 0.183 519 N C 1.936 177.335 175.510 -0.185 0.000 1.016 519 N CA 1.187 54.168 53.050 -0.115 0.000 0.866 519 N CB -0.203 38.238 38.487 -0.078 0.000 0.980 519 N HN 0.606 nan 8.380 nan 0.000 0.430 520 Q N 0.469 120.093 119.800 -0.295 0.000 2.050 520 Q HA 0.021 4.361 4.340 0.000 0.000 0.202 520 Q C 2.102 177.857 176.000 -0.408 0.000 0.980 520 Q CA 0.958 56.488 55.803 -0.456 0.000 0.840 520 Q CB -0.071 28.118 28.738 -0.915 0.000 0.898 520 Q HN 0.378 nan 8.270 nan 0.000 0.424 521 I N 0.353 120.690 120.570 -0.387 0.000 2.286 521 I HA -0.277 3.893 4.170 0.000 0.000 0.248 521 I C 2.051 178.066 176.117 -0.170 0.000 1.115 521 I CA 1.036 62.223 61.300 -0.189 0.000 1.392 521 I CB -0.244 37.668 38.000 -0.146 0.000 1.065 521 I HN 0.210 nan 8.210 nan 0.000 0.418 522 I N 0.645 121.109 120.570 -0.176 0.000 2.179 522 I HA -0.275 3.895 4.170 0.000 0.000 0.242 522 I C 2.488 178.497 176.117 -0.179 0.000 1.088 522 I CA 1.454 62.642 61.300 -0.186 0.000 1.357 522 I CB -0.409 37.542 38.000 -0.082 0.000 1.051 522 I HN 0.197 nan 8.210 nan 0.000 0.409 523 E N 0.360 120.482 120.200 -0.129 0.000 2.065 523 E HA -0.315 4.035 4.350 0.000 0.000 0.201 523 E C 2.261 178.817 176.600 -0.073 0.000 1.016 523 E CA 1.463 57.808 56.400 -0.093 0.000 0.818 523 E CB -0.170 29.493 29.700 -0.061 0.000 0.749 523 E HN 0.437 nan 8.360 nan 0.000 0.453 524 Q N 0.233 120.007 119.800 -0.042 0.000 2.096 524 Q HA -0.155 4.185 4.340 0.000 0.000 0.204 524 Q C 2.427 178.366 176.000 -0.102 0.000 0.982 524 Q CA 1.207 56.994 55.803 -0.026 0.000 0.850 524 Q CB -0.343 28.422 28.738 0.044 0.000 0.901 524 Q HN 0.372 nan 8.270 nan 0.000 0.422 525 L N -0.069 121.024 121.223 -0.217 0.000 2.201 525 L HA -0.132 4.208 4.340 0.000 0.000 0.212 525 L C 2.337 179.077 176.870 -0.217 0.000 1.105 525 L CA 0.548 55.188 54.840 -0.334 0.000 0.775 525 L CB -0.350 41.236 42.059 -0.789 0.000 0.913 525 L HN 0.172 nan 8.230 nan 0.000 0.440 526 I N -0.132 120.355 120.570 -0.139 0.000 2.179 526 I HA -0.291 3.879 4.170 0.000 0.000 0.242 526 I C 2.447 178.593 176.117 0.047 0.000 1.088 526 I CA 1.411 62.736 61.300 0.041 0.000 1.357 526 I CB -0.277 37.744 38.000 0.035 0.000 1.051 526 I HN 0.248 nan 8.210 nan 0.000 0.409 527 K N 0.617 121.018 120.400 0.003 0.000 2.152 527 K HA -0.112 4.208 4.320 0.000 0.000 0.206 527 K C 0.729 177.336 176.600 0.012 0.000 1.048 527 K CA 0.793 57.085 56.287 0.009 0.000 0.933 527 K CB -0.082 32.415 32.500 -0.006 0.000 0.721 527 K HN 0.178 nan 8.250 nan 0.000 0.447 528 K N 1.113 121.512 120.400 -0.002 0.000 2.276 528 K HA -0.010 4.310 4.320 0.000 0.000 0.259 528 K C 0.884 177.505 176.600 0.034 0.000 1.001 528 K CA 0.415 56.704 56.287 0.004 0.000 0.927 528 K CB 0.893 33.384 32.500 -0.015 0.000 0.969 528 K HN 0.064 nan 8.250 nan 0.000 0.490 529 E N 0.816 121.036 120.200 0.032 0.000 2.166 529 E HA 0.005 4.355 4.350 0.000 0.000 0.192 529 E C -0.395 176.236 176.600 0.053 0.000 0.967 529 E CA 0.973 57.399 56.400 0.043 0.000 0.840 529 E CB 0.496 30.216 29.700 0.033 0.000 0.795 529 E HN 0.289 nan 8.360 nan 0.000 0.470 530 K N -0.072 120.357 120.400 0.047 0.000 2.501 530 K HA 0.489 4.809 4.320 0.000 0.000 0.252 530 K C -1.698 174.941 176.600 0.064 0.000 0.934 530 K CA -0.645 55.680 56.287 0.063 0.000 0.797 530 K CB 3.135 35.667 32.500 0.055 0.000 1.270 530 K HN -0.203 nan 8.250 nan 0.000 0.431 531 V N 2.398 122.369 119.914 0.095 0.000 2.888 531 V HA 0.404 4.525 4.120 0.000 0.000 0.309 531 V C -1.630 174.566 176.094 0.170 0.000 1.114 531 V CA -0.962 61.393 62.300 0.092 0.000 0.940 531 V CB 1.845 33.693 31.823 0.041 0.000 1.021 531 V HN 0.755 nan 8.190 nan 0.000 0.426 532 Y N 4.683 124.992 120.300 0.015 0.000 2.425 532 Y HA 0.847 5.397 4.550 0.000 0.000 0.344 532 Y C -1.357 174.552 175.900 0.014 0.000 0.969 532 Y CA -1.102 57.011 58.100 0.022 0.000 1.052 532 Y CB 1.950 40.419 38.460 0.015 0.000 1.215 532 Y HN 0.625 nan 8.280 nan 0.000 0.451 533 L N 5.423 126.210 121.223 -0.727 0.000 2.438 533 L HA 0.963 5.303 4.340 0.000 0.000 0.270 533 L C -1.597 174.954 176.870 -0.531 0.000 0.972 533 L CA -0.321 54.273 54.840 -0.410 0.000 0.831 533 L CB 1.626 43.578 42.059 -0.178 0.000 1.273 533 L HN 0.775 nan 8.230 nan 0.000 0.405 534 A N 3.633 126.298 122.820 -0.258 0.000 2.479 534 A HA 0.840 5.160 4.320 0.000 0.000 0.296 534 A C -2.268 175.353 177.584 0.061 0.000 1.121 534 A CA -0.540 51.438 52.037 -0.098 0.000 0.743 534 A CB 1.208 20.205 19.000 -0.005 0.000 1.323 534 A HN 0.840 nan 8.150 nan 0.000 0.415 535 W N 0.959 122.229 121.300 -0.049 0.000 2.915 535 W HA 0.611 5.271 4.660 0.000 0.000 0.337 535 W C -1.223 175.305 176.519 0.014 0.000 1.102 535 W CA -0.462 56.873 57.345 -0.017 0.000 1.224 535 W CB 1.986 31.435 29.460 -0.019 0.000 1.416 535 W HN 1.013 nan 8.180 nan 0.000 0.503 536 V N 2.968 122.174 119.914 -1.180 0.000 3.049 536 V HA 0.723 4.843 4.120 0.000 0.000 0.309 536 V C -2.636 172.473 176.094 -1.641 0.000 1.148 536 V CA -2.872 58.727 62.300 -1.169 0.000 0.990 536 V CB 1.796 33.347 31.823 -0.453 0.000 1.039 536 V HN 0.515 nan 8.190 nan 0.000 0.430 537 P HA 0.224 nan 4.420 nan 0.000 0.267 537 P C 0.268 177.406 177.300 -0.269 0.000 1.209 537 P CA 0.656 63.437 63.100 -0.530 0.000 0.763 537 P CB 0.696 32.303 31.700 -0.154 0.000 0.816 538 A N 4.635 127.369 122.820 -0.144 0.000 2.613 538 A HA -0.121 4.199 4.320 0.000 0.000 0.230 538 A C 0.870 178.441 177.584 -0.023 0.000 1.051 538 A CA 0.443 52.408 52.037 -0.119 0.000 0.754 538 A CB -1.043 17.981 19.000 0.040 0.000 0.979 538 A HN 0.803 nan 8.150 nan 0.000 0.510 539 H N 0.105 119.163 119.070 -0.020 0.000 2.655 539 H HA -0.130 4.426 4.556 0.000 0.000 0.313 539 H C 0.062 175.381 175.328 -0.015 0.000 1.141 539 H CA 1.329 57.370 56.048 -0.011 0.000 1.138 539 H CB -0.941 28.823 29.762 0.003 0.000 1.446 539 H HN 0.629 nan 8.280 nan 0.000 0.415 540 K N 0.116 120.537 120.400 0.035 0.000 2.478 540 K HA 0.260 4.580 4.320 0.000 0.000 0.205 540 K C 0.926 177.526 176.600 0.000 0.000 1.033 540 K CA 0.551 56.850 56.287 0.020 0.000 1.091 540 K CB 0.657 33.154 32.500 -0.005 0.000 0.844 540 K HN 0.552 nan 8.250 nan 0.000 0.507 541 G N 1.971 110.769 108.800 -0.003 0.000 2.325 541 G HA2 -0.263 3.697 3.960 0.000 0.000 0.274 541 G HA3 -0.263 3.697 3.960 0.000 0.000 0.274 541 G C -0.315 174.564 174.900 -0.034 0.000 0.921 541 G CA 0.089 45.178 45.100 -0.019 0.000 1.340 541 G HN 0.200 nan 8.290 nan 0.000 0.447 542 I N 0.723 121.262 120.570 -0.052 0.000 2.498 542 I HA 0.535 4.705 4.170 0.000 0.000 0.301 542 I C 1.367 177.432 176.117 -0.085 0.000 0.984 542 I CA -0.182 61.087 61.300 -0.053 0.000 1.204 542 I CB 1.646 39.620 38.000 -0.045 0.000 1.362 542 I HN 0.408 nan 8.210 nan 0.000 0.471 543 G N 3.528 112.275 108.800 -0.088 0.000 2.101 543 G HA2 0.309 4.269 3.960 0.000 0.000 0.262 543 G HA3 0.309 4.269 3.960 0.000 0.000 0.262 543 G C 1.022 175.720 174.900 -0.336 0.000 1.041 543 G CA 0.551 45.555 45.100 -0.161 0.000 1.002 543 G HN 1.270 nan 8.290 nan 0.000 0.403 544 G N 2.452 111.005 108.800 -0.410 0.000 2.383 544 G HA2 -0.397 3.563 3.960 0.000 0.000 0.229 544 G HA3 -0.397 3.563 3.960 0.000 0.000 0.229 544 G C 1.467 176.168 174.900 -0.331 0.000 1.089 544 G CA 0.897 45.580 45.100 -0.696 0.000 0.640 544 G HN 0.869 nan 8.290 nan 0.000 0.510 545 N N 1.238 119.856 118.700 -0.136 0.000 2.058 545 N HA -0.127 4.613 4.740 0.000 0.000 0.191 545 N C 1.955 177.419 175.510 -0.077 0.000 1.037 545 N CA 1.961 54.996 53.050 -0.025 0.000 0.848 545 N CB -0.171 38.290 38.487 -0.043 0.000 1.021 545 N HN 0.645 nan 8.380 nan 0.000 0.422 546 E N 0.370 120.513 120.200 -0.095 0.000 2.070 546 E HA -0.249 4.102 4.350 0.000 0.000 0.197 546 E C 2.183 178.741 176.600 -0.070 0.000 1.004 546 E CA 1.333 57.687 56.400 -0.077 0.000 0.805 546 E CB -0.059 29.602 29.700 -0.065 0.000 0.744 546 E HN 0.331 nan 8.360 nan 0.000 0.451 547 Q N 0.053 119.797 119.800 -0.093 0.000 2.084 547 Q HA -0.131 4.209 4.340 0.000 0.000 0.202 547 Q C 2.326 178.299 176.000 -0.044 0.000 0.978 547 Q CA 1.647 57.405 55.803 -0.075 0.000 0.844 547 Q CB -0.047 28.631 28.738 -0.101 0.000 0.898 547 Q HN 0.346 nan 8.270 nan 0.000 0.426 548 V N 0.452 120.350 119.914 -0.026 0.000 2.427 548 V HA -0.223 3.897 4.120 0.000 0.000 0.248 548 V C 2.023 178.114 176.094 -0.004 0.000 1.051 548 V CA 1.975 64.282 62.300 0.011 0.000 1.048 548 V CB -0.793 31.071 31.823 0.069 0.000 0.666 548 V HN 0.316 nan 8.190 nan 0.000 0.456 549 D N 0.310 120.695 120.400 -0.025 0.000 2.104 549 D HA -0.196 4.444 4.640 0.000 0.000 0.194 549 D C 2.189 178.484 176.300 -0.009 0.000 0.994 549 D CA 1.283 55.263 54.000 -0.034 0.000 0.830 549 D CB 0.023 40.773 40.800 -0.084 0.000 0.959 549 D HN 0.229 nan 8.370 nan 0.000 0.452 550 K N 0.426 120.819 120.400 -0.012 0.000 1.969 550 K HA -0.141 4.179 4.320 0.000 0.000 0.216 550 K C 2.417 179.014 176.600 -0.006 0.000 1.048 550 K CA 0.750 57.034 56.287 -0.005 0.000 0.948 550 K CB -1.173 31.319 32.500 -0.013 0.000 0.726 550 K HN 0.308 nan 8.250 nan 0.000 0.442 551 L N 0.924 122.138 121.223 -0.014 0.000 2.211 551 L HA -0.188 4.153 4.340 0.000 0.000 0.216 551 L C 2.265 179.127 176.870 -0.014 0.000 1.092 551 L CA 1.031 55.860 54.840 -0.019 0.000 0.767 551 L CB -0.301 41.741 42.059 -0.029 0.000 0.894 551 L HN 0.002 nan 8.230 nan 0.000 0.437 552 V N -2.310 117.602 119.914 -0.004 0.000 3.578 552 V HA 0.048 4.168 4.120 0.000 0.000 0.290 552 V C 1.810 177.913 176.094 0.015 0.000 1.376 552 V CA 0.579 62.882 62.300 0.004 0.000 1.083 552 V CB 0.886 32.717 31.823 0.013 0.000 0.911 552 V HN 0.241 nan 8.190 nan 0.000 0.433 553 S N 0.912 116.622 115.700 0.016 0.000 2.575 553 S HA 0.366 4.836 4.470 0.000 0.000 0.215 553 S C 0.978 175.591 174.600 0.021 0.000 0.966 553 S CA 0.489 58.706 58.200 0.027 0.000 0.911 553 S CB 0.030 63.252 63.200 0.037 0.000 0.780 553 S HN 0.616 nan 8.310 nan 0.000 0.514 554 A N 1.357 124.184 122.820 0.013 0.000 2.440 554 A HA 0.622 4.942 4.320 0.000 0.000 0.251 554 A C 0.963 178.554 177.584 0.012 0.000 1.089 554 A CA 0.409 52.452 52.037 0.010 0.000 0.779 554 A CB -0.501 18.502 19.000 0.004 0.000 1.022 554 A HN 0.754 nan 8.150 nan 0.000 0.492 555 G N 0.000 108.807 108.800 0.012 0.000 5.446 555 G HA2 0.000 3.960 3.960 0.000 0.000 0.244 555 G HA3 0.000 3.960 3.960 0.000 0.000 0.244 555 G CA 0.000 45.108 45.100 0.013 0.000 0.502 555 G HN 0.000 nan 8.290 nan 0.000 0.925